USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 15 SER OG : rot -120:sc= 0 USER MOD Set 1.2: A 74 LYS NZ :NH3+ 169:sc=-0.00846 (180deg=-0.161) USER MOD Set 2.1: A 28 SER OG : rot 85:sc= 2.22 USER MOD Set 2.2: A 33 CYS SG : rot -107:sc= 1.3 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -111:sc= 0.938 USER MOD Single : A 10 TYR OH : rot 96:sc= 0.899 USER MOD Single : A 13 ASN : amide:sc= -2.93! K(o=-2.9!,f=-1.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 29 GLN : amide:sc= -0.581 K(o=-0.58,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.791 K(o=0.79,f=-0.32) USER MOD Single : A 36 CYS SG : rot 34:sc= -0.408 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -36:sc= 0.0255 USER MOD Single : A 54 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.19) USER MOD Single : A 56 HIS : no HE2:sc= 0.184 K(o=0.18,f=-1.4) USER MOD Single : A 58 HIS : no HE2:sc= 0.432 K(o=0.43,f=-4.4!) USER MOD Single : A 66 MET CE :methyl 174:sc= -3.72! (180deg=-3.89!) USER MOD Single : A 67 ASN : amide:sc= 0.759 K(o=0.76,f=-5.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 162:sc= 0 (180deg=-0.302) USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= 0.773 (180deg=-0.0431) USER MOD Single : A 79 ASN : amide:sc= -0.0681 K(o=-0.068,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 62 N MET A 5 -5.148 -11.888 -1.540 1.00 0.00 N ATOM 63 CA MET A 5 -4.644 -11.163 -0.385 1.00 0.00 C ATOM 64 C MET A 5 -4.994 -9.685 -0.531 1.00 0.00 C ATOM 65 O MET A 5 -4.294 -8.936 -1.213 1.00 0.00 O ATOM 66 CB MET A 5 -3.128 -11.338 -0.247 1.00 0.00 C ATOM 67 CG MET A 5 -2.697 -12.786 -0.060 1.00 0.00 C ATOM 68 SD MET A 5 -0.908 -12.967 0.102 1.00 0.00 S ATOM 69 CE MET A 5 -0.763 -14.747 0.270 1.00 0.00 C ATOM 0 HA MET A 5 -5.109 -11.563 0.516 1.00 0.00 H new ATOM 0 HB2 MET A 5 -2.642 -10.935 -1.135 1.00 0.00 H new ATOM 0 HB3 MET A 5 -2.779 -10.751 0.602 1.00 0.00 H new ATOM 0 HG2 MET A 5 -3.181 -13.193 0.828 1.00 0.00 H new ATOM 0 HG3 MET A 5 -3.042 -13.376 -0.909 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.287 -15.018 0.380 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.316 -15.076 1.150 1.00 0.00 H new ATOM 0 HE3 MET A 5 -1.172 -15.231 -0.617 1.00 0.00 H new ATOM 79 N PRO A 6 -6.093 -9.256 0.106 1.00 0.00 N ATOM 80 CA PRO A 6 -6.630 -7.896 -0.042 1.00 0.00 C ATOM 81 C PRO A 6 -5.613 -6.808 0.301 1.00 0.00 C ATOM 82 O PRO A 6 -5.234 -6.634 1.459 1.00 0.00 O ATOM 83 CB PRO A 6 -7.811 -7.858 0.937 1.00 0.00 C ATOM 84 CG PRO A 6 -7.614 -9.029 1.844 1.00 0.00 C ATOM 85 CD PRO A 6 -6.902 -10.064 1.030 1.00 0.00 C ATOM 0 HA PRO A 6 -6.910 -7.693 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.825 -6.924 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.762 -7.926 0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.028 -8.750 2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.570 -9.407 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.281 -10.710 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.600 -10.709 0.497 1.00 0.00 H new ATOM 93 N LYS A 7 -5.160 -6.092 -0.718 1.00 0.00 N ATOM 94 CA LYS A 7 -4.237 -4.983 -0.523 1.00 0.00 C ATOM 95 C LYS A 7 -4.994 -3.660 -0.498 1.00 0.00 C ATOM 96 O LYS A 7 -4.435 -2.616 -0.162 1.00 0.00 O ATOM 97 CB LYS A 7 -3.191 -4.957 -1.637 1.00 0.00 C ATOM 98 CG LYS A 7 -2.217 -6.123 -1.591 1.00 0.00 C ATOM 99 CD LYS A 7 -1.293 -6.116 -2.798 1.00 0.00 C ATOM 100 CE LYS A 7 -0.225 -7.192 -2.691 1.00 0.00 C ATOM 101 NZ LYS A 7 0.592 -7.299 -3.930 1.00 0.00 N ATOM 0 H LYS A 7 -5.417 -6.260 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.733 -5.122 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.700 -4.959 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.630 -4.024 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.626 -6.070 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.770 -7.061 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.877 -6.271 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.818 -5.139 -2.888 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.427 -6.971 -1.846 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.698 -8.152 -2.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.307 -8.045 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.025 -7.536 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.066 -6.391 -4.113 1.00 0.00 H new ATOM 115 N THR A 8 -6.266 -3.722 -0.858 1.00 0.00 N ATOM 116 CA THR A 8 -7.103 -2.540 -0.925 1.00 0.00 C ATOM 117 C THR A 8 -8.180 -2.576 0.151 1.00 0.00 C ATOM 118 O THR A 8 -8.849 -3.597 0.342 1.00 0.00 O ATOM 119 CB THR A 8 -7.771 -2.424 -2.309 1.00 0.00 C ATOM 120 OG1 THR A 8 -6.775 -2.309 -3.331 1.00 0.00 O ATOM 121 CG2 THR A 8 -8.709 -1.228 -2.369 1.00 0.00 C ATOM 0 H THR A 8 -6.743 -4.588 -1.110 1.00 0.00 H new ATOM 0 HA THR A 8 -6.463 -1.673 -0.760 1.00 0.00 H new ATOM 0 HB THR A 8 -8.357 -3.328 -2.474 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.801 -1.407 -3.713 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.165 -1.173 -3.357 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.489 -1.339 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.146 -0.314 -2.177 1.00 0.00 H new ATOM 129 N LEU A 9 -8.334 -1.467 0.856 1.00 0.00 N ATOM 130 CA LEU A 9 -9.371 -1.342 1.867 1.00 0.00 C ATOM 131 C LEU A 9 -10.599 -0.663 1.280 1.00 0.00 C ATOM 132 O LEU A 9 -10.499 0.402 0.668 1.00 0.00 O ATOM 133 CB LEU A 9 -8.868 -0.553 3.086 1.00 0.00 C ATOM 134 CG LEU A 9 -7.898 -1.296 4.019 1.00 0.00 C ATOM 135 CD1 LEU A 9 -8.509 -2.605 4.496 1.00 0.00 C ATOM 136 CD2 LEU A 9 -6.560 -1.546 3.339 1.00 0.00 C ATOM 0 H LEU A 9 -7.751 -0.637 0.746 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.639 -2.345 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.376 0.352 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.732 -0.237 3.671 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.718 -0.661 4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.807 -3.116 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.432 -2.399 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.727 -3.239 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.896 -2.073 4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.713 -2.151 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.110 -0.593 3.059 1.00 0.00 H new ATOM 148 N TYR A 10 -11.742 -1.302 1.453 1.00 0.00 N ATOM 149 CA TYR A 10 -13.017 -0.754 1.016 1.00 0.00 C ATOM 150 C TYR A 10 -13.618 0.053 2.156 1.00 0.00 C ATOM 151 O TYR A 10 -14.228 -0.507 3.068 1.00 0.00 O ATOM 152 CB TYR A 10 -13.964 -1.894 0.610 1.00 0.00 C ATOM 153 CG TYR A 10 -15.306 -1.454 0.063 1.00 0.00 C ATOM 154 CD1 TYR A 10 -16.337 -1.065 0.909 1.00 0.00 C ATOM 155 CD2 TYR A 10 -15.547 -1.455 -1.301 1.00 0.00 C ATOM 156 CE1 TYR A 10 -17.567 -0.688 0.409 1.00 0.00 C ATOM 157 CE2 TYR A 10 -16.772 -1.077 -1.811 1.00 0.00 C ATOM 158 CZ TYR A 10 -17.781 -0.695 -0.951 1.00 0.00 C ATOM 159 OH TYR A 10 -19.008 -0.316 -1.452 1.00 0.00 O ATOM 0 H TYR A 10 -11.814 -2.216 1.900 1.00 0.00 H new ATOM 0 HA TYR A 10 -12.868 -0.107 0.151 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -13.467 -2.507 -0.141 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -14.135 -2.530 1.479 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -16.173 -1.057 1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -14.762 -1.757 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -18.358 -0.389 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -16.940 -1.080 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.980 0.631 -1.703 1.00 0.00 H new ATOM 169 N VAL A 11 -13.423 1.359 2.125 1.00 0.00 N ATOM 170 CA VAL A 11 -13.877 2.204 3.216 1.00 0.00 C ATOM 171 C VAL A 11 -14.973 3.159 2.765 1.00 0.00 C ATOM 172 O VAL A 11 -14.735 4.066 1.970 1.00 0.00 O ATOM 173 CB VAL A 11 -12.717 3.006 3.832 1.00 0.00 C ATOM 174 CG1 VAL A 11 -13.195 3.807 5.033 1.00 0.00 C ATOM 175 CG2 VAL A 11 -11.589 2.072 4.235 1.00 0.00 C ATOM 0 H VAL A 11 -12.958 1.854 1.364 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.284 1.538 3.977 1.00 0.00 H new ATOM 0 HB VAL A 11 -12.344 3.704 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.359 4.366 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.975 4.501 4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.593 3.129 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.774 2.652 4.669 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.956 1.354 4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -11.226 1.539 3.356 1.00 0.00 H new ATOM 185 N GLY A 12 -16.173 2.945 3.287 1.00 0.00 N ATOM 186 CA GLY A 12 -17.294 3.811 2.980 1.00 0.00 C ATOM 187 C GLY A 12 -17.663 4.670 4.167 1.00 0.00 C ATOM 188 O GLY A 12 -17.864 4.150 5.267 1.00 0.00 O ATOM 0 H GLY A 12 -16.391 2.179 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.043 4.447 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -18.152 3.208 2.684 1.00 0.00 H new ATOM 192 N ASN A 13 -17.745 5.977 3.945 1.00 0.00 N ATOM 193 CA ASN A 13 -18.029 6.937 5.018 1.00 0.00 C ATOM 194 C ASN A 13 -18.011 8.362 4.481 1.00 0.00 C ATOM 195 O ASN A 13 -18.358 9.305 5.195 1.00 0.00 O ATOM 196 CB ASN A 13 -16.994 6.834 6.148 1.00 0.00 C ATOM 197 CG ASN A 13 -15.639 7.418 5.770 1.00 0.00 C ATOM 198 OD1 ASN A 13 -15.365 8.593 6.004 1.00 0.00 O ATOM 199 ND2 ASN A 13 -14.782 6.601 5.180 1.00 0.00 N ATOM 0 H ASN A 13 -17.619 6.403 3.027 1.00 0.00 H new ATOM 0 HA ASN A 13 -19.017 6.696 5.409 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.373 7.352 7.029 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -16.868 5.787 6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.861 6.941 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.043 5.631 5.001 1.00 0.00 H new ATOM 206 N LEU A 14 -17.609 8.509 3.220 1.00 0.00 N ATOM 207 CA LEU A 14 -17.352 9.820 2.641 1.00 0.00 C ATOM 208 C LEU A 14 -18.561 10.729 2.757 1.00 0.00 C ATOM 209 O LEU A 14 -19.701 10.299 2.607 1.00 0.00 O ATOM 210 CB LEU A 14 -16.934 9.690 1.177 1.00 0.00 C ATOM 211 CG LEU A 14 -15.642 8.909 0.939 1.00 0.00 C ATOM 212 CD1 LEU A 14 -15.324 8.844 -0.547 1.00 0.00 C ATOM 213 CD2 LEU A 14 -14.492 9.549 1.702 1.00 0.00 C ATOM 0 H LEU A 14 -17.455 7.730 2.579 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.536 10.271 3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.740 9.205 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.819 10.690 0.758 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.779 7.891 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.401 8.284 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.140 8.347 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.203 9.854 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.578 8.983 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.356 10.575 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.718 9.548 2.768 1.00 0.00 H new ATOM 225 N SER A 15 -18.295 11.982 3.052 1.00 0.00 N ATOM 226 CA SER A 15 -19.325 12.984 3.180 1.00 0.00 C ATOM 227 C SER A 15 -18.779 14.331 2.722 1.00 0.00 C ATOM 228 O SER A 15 -17.608 14.423 2.343 1.00 0.00 O ATOM 229 CB SER A 15 -19.818 13.053 4.629 1.00 0.00 C ATOM 230 OG SER A 15 -20.475 11.851 5.009 1.00 0.00 O ATOM 0 H SER A 15 -17.351 12.335 3.211 1.00 0.00 H new ATOM 0 HA SER A 15 -20.174 12.719 2.550 1.00 0.00 H new ATOM 0 HB2 SER A 15 -18.974 13.234 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.501 13.895 4.743 1.00 0.00 H new ATOM 0 HG SER A 15 -21.399 12.051 5.267 1.00 0.00 H new ATOM 236 N ARG A 16 -19.612 15.358 2.756 1.00 0.00 N ATOM 237 CA ARG A 16 -19.242 16.674 2.246 1.00 0.00 C ATOM 238 C ARG A 16 -17.967 17.209 2.892 1.00 0.00 C ATOM 239 O ARG A 16 -17.068 17.690 2.200 1.00 0.00 O ATOM 240 CB ARG A 16 -20.387 17.667 2.451 1.00 0.00 C ATOM 241 CG ARG A 16 -21.633 17.334 1.650 1.00 0.00 C ATOM 242 CD ARG A 16 -21.289 17.036 0.200 1.00 0.00 C ATOM 243 NE ARG A 16 -20.476 18.098 -0.401 1.00 0.00 N ATOM 244 CZ ARG A 16 -19.464 17.878 -1.249 1.00 0.00 C ATOM 245 NH1 ARG A 16 -19.189 16.647 -1.655 1.00 0.00 N ATOM 246 NH2 ARG A 16 -18.747 18.891 -1.708 1.00 0.00 N ATOM 0 H ARG A 16 -20.558 15.307 3.134 1.00 0.00 H new ATOM 0 HA ARG A 16 -19.046 16.559 1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -20.644 17.699 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -20.045 18.665 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -22.134 16.473 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -22.333 18.168 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -20.750 16.090 0.142 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -22.208 16.915 -0.373 1.00 0.00 H new ATOM 0 HE ARG A 16 -20.695 19.064 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -19.749 15.863 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -18.417 16.484 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -18.965 19.844 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.977 18.719 -2.354 1.00 0.00 H new ATOM 260 N ASP A 17 -17.880 17.115 4.210 1.00 0.00 N ATOM 261 CA ASP A 17 -16.732 17.654 4.936 1.00 0.00 C ATOM 262 C ASP A 17 -15.593 16.645 5.040 1.00 0.00 C ATOM 263 O ASP A 17 -14.657 16.830 5.819 1.00 0.00 O ATOM 264 CB ASP A 17 -17.145 18.144 6.326 1.00 0.00 C ATOM 265 CG ASP A 17 -17.742 19.536 6.280 1.00 0.00 C ATOM 266 OD1 ASP A 17 -16.977 20.515 6.411 1.00 0.00 O ATOM 267 OD2 ASP A 17 -18.972 19.662 6.096 1.00 0.00 O ATOM 0 H ASP A 17 -18.585 16.673 4.800 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.363 18.504 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.870 17.452 6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.276 18.143 6.984 1.00 0.00 H new ATOM 272 N VAL A 18 -15.667 15.585 4.249 1.00 0.00 N ATOM 273 CA VAL A 18 -14.590 14.609 4.182 1.00 0.00 C ATOM 274 C VAL A 18 -13.750 14.856 2.937 1.00 0.00 C ATOM 275 O VAL A 18 -14.287 15.008 1.840 1.00 0.00 O ATOM 276 CB VAL A 18 -15.119 13.159 4.153 1.00 0.00 C ATOM 277 CG1 VAL A 18 -13.968 12.169 4.083 1.00 0.00 C ATOM 278 CG2 VAL A 18 -15.987 12.870 5.366 1.00 0.00 C ATOM 0 H VAL A 18 -16.462 15.379 3.644 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.986 14.730 5.081 1.00 0.00 H new ATOM 0 HB VAL A 18 -15.732 13.046 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -14.363 11.153 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.387 12.350 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.328 12.293 4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -16.346 11.842 5.320 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.401 13.009 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -16.838 13.551 5.375 1.00 0.00 H new ATOM 288 N THR A 19 -12.438 14.909 3.110 1.00 0.00 N ATOM 289 CA THR A 19 -11.532 15.144 1.996 1.00 0.00 C ATOM 290 C THR A 19 -10.585 13.962 1.808 1.00 0.00 C ATOM 291 O THR A 19 -10.311 13.226 2.764 1.00 0.00 O ATOM 292 CB THR A 19 -10.717 16.447 2.194 1.00 0.00 C ATOM 293 OG1 THR A 19 -9.736 16.591 1.158 1.00 0.00 O ATOM 294 CG2 THR A 19 -10.028 16.468 3.553 1.00 0.00 C ATOM 0 H THR A 19 -11.977 14.792 4.012 1.00 0.00 H new ATOM 0 HA THR A 19 -12.142 15.255 1.099 1.00 0.00 H new ATOM 0 HB THR A 19 -11.417 17.281 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.232 17.420 1.298 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.465 17.395 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.777 16.405 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.348 15.619 3.630 1.00 0.00 H new ATOM 302 N GLU A 20 -10.101 13.775 0.583 1.00 0.00 N ATOM 303 CA GLU A 20 -9.180 12.686 0.266 1.00 0.00 C ATOM 304 C GLU A 20 -7.975 12.708 1.202 1.00 0.00 C ATOM 305 O GLU A 20 -7.617 11.689 1.797 1.00 0.00 O ATOM 306 CB GLU A 20 -8.705 12.817 -1.183 1.00 0.00 C ATOM 307 CG GLU A 20 -7.824 11.672 -1.651 1.00 0.00 C ATOM 308 CD GLU A 20 -7.168 11.957 -2.984 1.00 0.00 C ATOM 309 OE1 GLU A 20 -5.944 12.203 -3.009 1.00 0.00 O ATOM 310 OE2 GLU A 20 -7.873 11.952 -4.014 1.00 0.00 O ATOM 0 H GLU A 20 -10.334 14.369 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.706 11.740 0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.576 12.882 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.155 13.752 -1.291 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.054 11.481 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.423 10.765 -1.731 1.00 0.00 H new ATOM 317 N ALA A 21 -7.387 13.892 1.351 1.00 0.00 N ATOM 318 CA ALA A 21 -6.174 14.069 2.147 1.00 0.00 C ATOM 319 C ALA A 21 -6.371 13.596 3.581 1.00 0.00 C ATOM 320 O ALA A 21 -5.469 13.021 4.181 1.00 0.00 O ATOM 321 CB ALA A 21 -5.742 15.529 2.129 1.00 0.00 C ATOM 0 H ALA A 21 -7.735 14.752 0.926 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.390 13.457 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.837 15.648 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.543 15.837 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.536 16.149 2.546 1.00 0.00 H new ATOM 327 N LEU A 22 -7.562 13.827 4.118 1.00 0.00 N ATOM 328 CA LEU A 22 -7.876 13.430 5.484 1.00 0.00 C ATOM 329 C LEU A 22 -7.885 11.911 5.599 1.00 0.00 C ATOM 330 O LEU A 22 -7.182 11.334 6.424 1.00 0.00 O ATOM 331 CB LEU A 22 -9.235 14.004 5.901 1.00 0.00 C ATOM 332 CG LEU A 22 -9.695 13.657 7.318 1.00 0.00 C ATOM 333 CD1 LEU A 22 -8.756 14.265 8.351 1.00 0.00 C ATOM 334 CD2 LEU A 22 -11.124 14.131 7.544 1.00 0.00 C ATOM 0 H LEU A 22 -8.328 14.288 3.627 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.111 13.826 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.195 15.089 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.989 13.651 5.197 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.670 12.573 7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.100 14.007 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.749 13.875 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.745 15.349 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.436 13.876 8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.174 15.212 7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.786 13.645 6.827 1.00 0.00 H new ATOM 346 N ILE A 23 -8.669 11.273 4.742 1.00 0.00 N ATOM 347 CA ILE A 23 -8.805 9.822 4.749 1.00 0.00 C ATOM 348 C ILE A 23 -7.457 9.138 4.538 1.00 0.00 C ATOM 349 O ILE A 23 -7.079 8.243 5.295 1.00 0.00 O ATOM 350 CB ILE A 23 -9.801 9.361 3.658 1.00 0.00 C ATOM 351 CG1 ILE A 23 -11.209 9.878 3.970 1.00 0.00 C ATOM 352 CG2 ILE A 23 -9.808 7.843 3.516 1.00 0.00 C ATOM 353 CD1 ILE A 23 -11.759 9.397 5.298 1.00 0.00 C ATOM 0 H ILE A 23 -9.225 11.741 4.027 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.189 9.534 5.728 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.474 9.781 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.194 10.968 3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.885 9.566 3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.518 7.553 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.811 7.499 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.100 7.390 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.759 9.805 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.808 8.308 5.299 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.107 9.731 6.105 1.00 0.00 H new ATOM 365 N LEU A 24 -6.724 9.577 3.523 1.00 0.00 N ATOM 366 CA LEU A 24 -5.433 8.980 3.211 1.00 0.00 C ATOM 367 C LEU A 24 -4.431 9.207 4.336 1.00 0.00 C ATOM 368 O LEU A 24 -3.587 8.351 4.594 1.00 0.00 O ATOM 369 CB LEU A 24 -4.882 9.515 1.888 1.00 0.00 C ATOM 370 CG LEU A 24 -5.314 8.733 0.643 1.00 0.00 C ATOM 371 CD1 LEU A 24 -6.816 8.834 0.425 1.00 0.00 C ATOM 372 CD2 LEU A 24 -4.561 9.230 -0.578 1.00 0.00 C ATOM 0 H LEU A 24 -7.000 10.340 2.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.588 7.906 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.196 10.553 1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.793 9.515 1.939 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.070 7.682 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.093 8.270 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.338 8.426 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.095 9.879 0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.878 8.666 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.774 10.288 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.490 9.093 -0.426 1.00 0.00 H new ATOM 384 N GLN A 25 -4.531 10.345 5.012 1.00 0.00 N ATOM 385 CA GLN A 25 -3.655 10.639 6.142 1.00 0.00 C ATOM 386 C GLN A 25 -3.912 9.650 7.273 1.00 0.00 C ATOM 387 O GLN A 25 -2.981 9.167 7.922 1.00 0.00 O ATOM 388 CB GLN A 25 -3.884 12.064 6.644 1.00 0.00 C ATOM 389 CG GLN A 25 -2.887 12.493 7.705 1.00 0.00 C ATOM 390 CD GLN A 25 -3.196 13.858 8.283 1.00 0.00 C ATOM 391 OE1 GLN A 25 -3.772 14.716 7.611 1.00 0.00 O ATOM 392 NE2 GLN A 25 -2.802 14.077 9.525 1.00 0.00 N ATOM 0 H GLN A 25 -5.207 11.078 4.799 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.621 10.546 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.826 12.753 5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.893 12.141 7.050 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.879 11.757 8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.886 12.504 7.273 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.328 13.340 10.047 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.972 14.983 9.962 1.00 0.00 H new ATOM 401 N LEU A 26 -5.186 9.346 7.485 1.00 0.00 N ATOM 402 CA LEU A 26 -5.602 8.403 8.517 1.00 0.00 C ATOM 403 C LEU A 26 -5.066 7.003 8.235 1.00 0.00 C ATOM 404 O LEU A 26 -4.836 6.219 9.152 1.00 0.00 O ATOM 405 CB LEU A 26 -7.132 8.367 8.613 1.00 0.00 C ATOM 406 CG LEU A 26 -7.762 9.322 9.636 1.00 0.00 C ATOM 407 CD1 LEU A 26 -7.420 8.884 11.046 1.00 0.00 C ATOM 408 CD2 LEU A 26 -7.304 10.754 9.409 1.00 0.00 C ATOM 0 H LEU A 26 -5.958 9.744 6.949 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.188 8.741 9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.544 8.595 7.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.438 7.350 8.858 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.843 9.287 9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.874 9.571 11.760 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.802 7.878 11.217 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.338 8.888 11.176 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.768 11.406 10.149 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.220 10.809 9.505 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.596 11.075 8.409 1.00 0.00 H new ATOM 420 N PHE A 27 -4.886 6.682 6.963 1.00 0.00 N ATOM 421 CA PHE A 27 -4.324 5.393 6.582 1.00 0.00 C ATOM 422 C PHE A 27 -2.799 5.437 6.546 1.00 0.00 C ATOM 423 O PHE A 27 -2.138 4.428 6.785 1.00 0.00 O ATOM 424 CB PHE A 27 -4.885 4.938 5.237 1.00 0.00 C ATOM 425 CG PHE A 27 -6.322 4.517 5.320 1.00 0.00 C ATOM 426 CD1 PHE A 27 -7.310 5.231 4.668 1.00 0.00 C ATOM 427 CD2 PHE A 27 -6.684 3.408 6.068 1.00 0.00 C ATOM 428 CE1 PHE A 27 -8.634 4.847 4.759 1.00 0.00 C ATOM 429 CE2 PHE A 27 -8.005 3.018 6.160 1.00 0.00 C ATOM 430 CZ PHE A 27 -8.981 3.740 5.506 1.00 0.00 C ATOM 0 H PHE A 27 -5.119 7.292 6.180 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.614 4.667 7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.790 5.749 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.288 4.106 4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.044 6.098 4.081 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.923 2.842 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.397 5.413 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.274 2.149 6.743 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.016 3.439 5.578 1.00 0.00 H new ATOM 440 N SER A 28 -2.245 6.614 6.276 1.00 0.00 N ATOM 441 CA SER A 28 -0.798 6.777 6.189 1.00 0.00 C ATOM 442 C SER A 28 -0.151 6.677 7.571 1.00 0.00 C ATOM 443 O SER A 28 1.046 6.410 7.685 1.00 0.00 O ATOM 444 CB SER A 28 -0.445 8.110 5.522 1.00 0.00 C ATOM 445 OG SER A 28 -0.987 8.185 4.212 1.00 0.00 O ATOM 0 H SER A 28 -2.776 7.470 6.114 1.00 0.00 H new ATOM 0 HA SER A 28 -0.403 5.969 5.573 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.827 8.934 6.125 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.638 8.223 5.478 1.00 0.00 H new ATOM 0 HG SER A 28 -1.914 8.501 4.259 1.00 0.00 H new ATOM 451 N GLN A 29 -0.947 6.882 8.621 1.00 0.00 N ATOM 452 CA GLN A 29 -0.453 6.715 9.984 1.00 0.00 C ATOM 453 C GLN A 29 -0.336 5.229 10.313 1.00 0.00 C ATOM 454 O GLN A 29 0.258 4.847 11.322 1.00 0.00 O ATOM 455 CB GLN A 29 -1.376 7.403 11.002 1.00 0.00 C ATOM 456 CG GLN A 29 -2.711 6.699 11.202 1.00 0.00 C ATOM 457 CD GLN A 29 -3.556 7.312 12.305 1.00 0.00 C ATOM 458 OE1 GLN A 29 -4.304 6.610 12.987 1.00 0.00 O ATOM 459 NE2 GLN A 29 -3.473 8.621 12.473 1.00 0.00 N ATOM 0 H GLN A 29 -1.926 7.161 8.554 1.00 0.00 H new ATOM 0 HA GLN A 29 0.529 7.183 10.048 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -0.861 7.463 11.961 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.562 8.426 10.675 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.271 6.726 10.267 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.529 5.650 11.434 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.842 9.171 11.890 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.040 9.081 13.186 1.00 0.00 H new ATOM 468 N ILE A 30 -0.916 4.403 9.447 1.00 0.00 N ATOM 469 CA ILE A 30 -0.885 2.961 9.617 1.00 0.00 C ATOM 470 C ILE A 30 0.122 2.337 8.655 1.00 0.00 C ATOM 471 O ILE A 30 0.979 1.552 9.064 1.00 0.00 O ATOM 472 CB ILE A 30 -2.272 2.325 9.370 1.00 0.00 C ATOM 473 CG1 ILE A 30 -3.354 3.031 10.197 1.00 0.00 C ATOM 474 CG2 ILE A 30 -2.241 0.839 9.701 1.00 0.00 C ATOM 475 CD1 ILE A 30 -3.149 2.937 11.696 1.00 0.00 C ATOM 0 H ILE A 30 -1.416 4.715 8.615 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.591 2.765 10.648 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.517 2.445 8.315 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.386 4.082 9.911 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.325 2.603 9.947 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.225 0.406 9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.505 0.341 9.070 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.971 0.705 10.748 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.956 3.461 12.207 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.148 1.890 11.998 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.195 3.392 11.962 1.00 0.00 H new ATOM 487 N GLY A 31 0.016 2.691 7.379 1.00 0.00 N ATOM 488 CA GLY A 31 0.922 2.157 6.381 1.00 0.00 C ATOM 489 C GLY A 31 1.070 3.080 5.186 1.00 0.00 C ATOM 490 O GLY A 31 0.235 3.958 4.975 1.00 0.00 O ATOM 0 H GLY A 31 -0.683 3.340 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.900 1.991 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 31 0.558 1.186 6.045 1.00 0.00 H new ATOM 494 N PRO A 32 2.133 2.907 4.389 1.00 0.00 N ATOM 495 CA PRO A 32 2.365 3.712 3.188 1.00 0.00 C ATOM 496 C PRO A 32 1.307 3.465 2.114 1.00 0.00 C ATOM 497 O PRO A 32 1.183 2.352 1.591 1.00 0.00 O ATOM 498 CB PRO A 32 3.745 3.252 2.695 1.00 0.00 C ATOM 499 CG PRO A 32 4.352 2.514 3.839 1.00 0.00 C ATOM 500 CD PRO A 32 3.202 1.923 4.601 1.00 0.00 C ATOM 0 HA PRO A 32 2.315 4.779 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.655 2.611 1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.362 4.103 2.405 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.029 1.736 3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.936 3.183 4.470 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.928 0.939 4.221 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.437 1.802 5.659 1.00 0.00 H new ATOM 508 N CYS A 33 0.549 4.504 1.797 1.00 0.00 N ATOM 509 CA CYS A 33 -0.489 4.428 0.778 1.00 0.00 C ATOM 510 C CYS A 33 0.119 4.481 -0.626 1.00 0.00 C ATOM 511 O CYS A 33 1.031 5.266 -0.894 1.00 0.00 O ATOM 512 CB CYS A 33 -1.489 5.569 0.981 1.00 0.00 C ATOM 513 SG CYS A 33 -0.717 7.174 1.302 1.00 0.00 S ATOM 0 H CYS A 33 0.635 5.420 2.236 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.011 3.476 0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.117 5.650 0.094 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.145 5.320 1.815 1.00 0.00 H new ATOM 0 HG CYS A 33 -0.875 7.489 2.553 1.00 0.00 H new ATOM 519 N LYS A 34 -0.377 3.627 -1.512 1.00 0.00 N ATOM 520 CA LYS A 34 0.142 3.540 -2.872 1.00 0.00 C ATOM 521 C LYS A 34 -0.754 4.290 -3.853 1.00 0.00 C ATOM 522 O LYS A 34 -0.275 5.066 -4.680 1.00 0.00 O ATOM 523 CB LYS A 34 0.273 2.076 -3.307 1.00 0.00 C ATOM 524 CG LYS A 34 0.745 1.917 -4.742 1.00 0.00 C ATOM 525 CD LYS A 34 0.836 0.458 -5.149 1.00 0.00 C ATOM 526 CE LYS A 34 1.184 0.318 -6.621 1.00 0.00 C ATOM 527 NZ LYS A 34 1.299 -1.103 -7.031 1.00 0.00 N ATOM 0 H LYS A 34 -1.141 2.982 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 34 1.128 4.004 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.972 1.568 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.692 1.582 -3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.059 2.438 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.721 2.388 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.592 -0.044 -4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.114 -0.038 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.419 0.808 -7.223 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.125 0.831 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.537 -1.154 -8.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.047 -1.565 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.394 -1.587 -6.864 1.00 0.00 H new ATOM 541 N ASN A 35 -2.053 4.054 -3.759 1.00 0.00 N ATOM 542 CA ASN A 35 -3.006 4.653 -4.686 1.00 0.00 C ATOM 543 C ASN A 35 -4.360 4.824 -4.011 1.00 0.00 C ATOM 544 O ASN A 35 -4.688 4.095 -3.074 1.00 0.00 O ATOM 545 CB ASN A 35 -3.135 3.778 -5.943 1.00 0.00 C ATOM 546 CG ASN A 35 -4.118 4.325 -6.967 1.00 0.00 C ATOM 547 OD1 ASN A 35 -3.770 5.169 -7.792 1.00 0.00 O ATOM 548 ND2 ASN A 35 -5.344 3.821 -6.946 1.00 0.00 N ATOM 0 H ASN A 35 -2.474 3.452 -3.051 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.643 5.637 -4.982 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.155 3.680 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.450 2.777 -5.648 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.035 4.132 -7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.596 3.123 -6.247 1.00 0.00 H new ATOM 555 N CYS A 36 -5.133 5.793 -4.479 1.00 0.00 N ATOM 556 CA CYS A 36 -6.447 6.058 -3.918 1.00 0.00 C ATOM 557 C CYS A 36 -7.505 6.110 -5.015 1.00 0.00 C ATOM 558 O CYS A 36 -7.371 6.845 -5.994 1.00 0.00 O ATOM 559 CB CYS A 36 -6.427 7.371 -3.131 1.00 0.00 C ATOM 560 SG CYS A 36 -5.773 8.783 -4.061 1.00 0.00 S ATOM 0 H CYS A 36 -4.871 6.410 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.703 5.244 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.441 7.602 -2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -5.827 7.233 -2.231 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.092 8.662 -5.315 1.00 0.00 H new ATOM 566 N LYS A 37 -8.542 5.309 -4.857 1.00 0.00 N ATOM 567 CA LYS A 37 -9.656 5.303 -5.790 1.00 0.00 C ATOM 568 C LYS A 37 -10.898 5.870 -5.126 1.00 0.00 C ATOM 569 O LYS A 37 -11.525 5.215 -4.294 1.00 0.00 O ATOM 570 CB LYS A 37 -9.938 3.885 -6.280 1.00 0.00 C ATOM 571 CG LYS A 37 -8.877 3.331 -7.214 1.00 0.00 C ATOM 572 CD LYS A 37 -9.008 3.912 -8.613 1.00 0.00 C ATOM 573 CE LYS A 37 -10.357 3.574 -9.230 1.00 0.00 C ATOM 574 NZ LYS A 37 -10.463 4.052 -10.633 1.00 0.00 N ATOM 0 H LYS A 37 -8.637 4.649 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.390 5.924 -6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.028 3.225 -5.417 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.900 3.873 -6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.887 3.556 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.962 2.245 -7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.886 4.994 -8.572 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.209 3.525 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.508 2.495 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.151 4.023 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.397 3.801 -11.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.345 5.085 -10.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.722 3.605 -11.209 1.00 0.00 H new ATOM 588 N MET A 38 -11.254 7.081 -5.502 1.00 0.00 N ATOM 589 CA MET A 38 -12.410 7.749 -4.927 1.00 0.00 C ATOM 590 C MET A 38 -13.656 7.401 -5.721 1.00 0.00 C ATOM 591 O MET A 38 -13.767 7.752 -6.893 1.00 0.00 O ATOM 592 CB MET A 38 -12.204 9.269 -4.909 1.00 0.00 C ATOM 593 CG MET A 38 -13.381 10.039 -4.324 1.00 0.00 C ATOM 594 SD MET A 38 -13.148 11.827 -4.393 1.00 0.00 S ATOM 595 CE MET A 38 -14.647 12.395 -3.589 1.00 0.00 C ATOM 0 H MET A 38 -10.759 7.627 -6.207 1.00 0.00 H new ATOM 0 HA MET A 38 -12.533 7.407 -3.899 1.00 0.00 H new ATOM 0 HB2 MET A 38 -11.308 9.499 -4.332 1.00 0.00 H new ATOM 0 HB3 MET A 38 -12.025 9.615 -5.927 1.00 0.00 H new ATOM 0 HG2 MET A 38 -14.289 9.774 -4.866 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.529 9.736 -3.288 1.00 0.00 H new ATOM 0 HE1 MET A 38 -14.651 13.484 -3.554 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.515 12.047 -4.149 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.688 12.000 -2.574 1.00 0.00 H new ATOM 605 N ILE A 39 -14.581 6.690 -5.094 1.00 0.00 N ATOM 606 CA ILE A 39 -15.823 6.324 -5.753 1.00 0.00 C ATOM 607 C ILE A 39 -16.969 7.163 -5.210 1.00 0.00 C ATOM 608 O ILE A 39 -17.487 6.909 -4.120 1.00 0.00 O ATOM 609 CB ILE A 39 -16.155 4.827 -5.580 1.00 0.00 C ATOM 610 CG1 ILE A 39 -14.970 3.958 -6.016 1.00 0.00 C ATOM 611 CG2 ILE A 39 -17.403 4.469 -6.378 1.00 0.00 C ATOM 612 CD1 ILE A 39 -14.549 4.160 -7.458 1.00 0.00 C ATOM 0 H ILE A 39 -14.495 6.357 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 39 -15.692 6.516 -6.818 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.349 4.634 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -14.120 4.171 -5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.229 2.910 -5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.627 3.410 -6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -18.245 5.064 -6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -17.231 4.676 -7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -13.705 3.508 -7.685 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.382 3.918 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.256 5.199 -7.609 1.00 0.00 H new ATOM 710 N PRO A 47 -20.866 7.205 0.029 1.00 0.00 N ATOM 711 CA PRO A 47 -19.724 7.076 -0.868 1.00 0.00 C ATOM 712 C PRO A 47 -18.535 6.406 -0.189 1.00 0.00 C ATOM 713 O PRO A 47 -18.291 6.594 1.009 1.00 0.00 O ATOM 714 CB PRO A 47 -19.382 8.527 -1.247 1.00 0.00 C ATOM 715 CG PRO A 47 -20.426 9.381 -0.595 1.00 0.00 C ATOM 716 CD PRO A 47 -20.986 8.569 0.536 1.00 0.00 C ATOM 0 HA PRO A 47 -19.956 6.450 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.385 8.796 -0.899 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.389 8.660 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -19.994 10.312 -0.229 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -21.208 9.650 -1.305 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -20.421 8.711 1.457 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -22.021 8.833 0.752 1.00 0.00 H new ATOM 724 N TYR A 48 -17.784 5.647 -0.962 1.00 0.00 N ATOM 725 CA TYR A 48 -16.671 4.882 -0.434 1.00 0.00 C ATOM 726 C TYR A 48 -15.407 5.130 -1.241 1.00 0.00 C ATOM 727 O TYR A 48 -15.460 5.634 -2.364 1.00 0.00 O ATOM 728 CB TYR A 48 -17.017 3.388 -0.419 1.00 0.00 C ATOM 729 CG TYR A 48 -17.649 2.892 -1.700 1.00 0.00 C ATOM 730 CD1 TYR A 48 -19.025 2.964 -1.885 1.00 0.00 C ATOM 731 CD2 TYR A 48 -16.878 2.350 -2.720 1.00 0.00 C ATOM 732 CE1 TYR A 48 -19.613 2.514 -3.048 1.00 0.00 C ATOM 733 CE2 TYR A 48 -17.462 1.899 -3.889 1.00 0.00 C ATOM 734 CZ TYR A 48 -18.830 1.982 -4.046 1.00 0.00 C ATOM 735 OH TYR A 48 -19.415 1.530 -5.205 1.00 0.00 O ATOM 0 H TYR A 48 -17.926 5.543 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.484 5.209 0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -16.108 2.817 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -17.697 3.191 0.410 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -19.644 3.380 -1.104 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -15.807 2.280 -2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -20.684 2.579 -3.175 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -16.850 1.484 -4.676 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.723 1.186 -5.808 1.00 0.00 H new ATOM 745 N CYS A 49 -14.277 4.782 -0.661 1.00 0.00 N ATOM 746 CA CYS A 49 -12.996 4.997 -1.301 1.00 0.00 C ATOM 747 C CYS A 49 -12.131 3.751 -1.186 1.00 0.00 C ATOM 748 O CYS A 49 -12.120 3.079 -0.152 1.00 0.00 O ATOM 749 CB CYS A 49 -12.285 6.200 -0.667 1.00 0.00 C ATOM 750 SG CYS A 49 -10.721 6.656 -1.457 1.00 0.00 S ATOM 0 H CYS A 49 -14.220 4.346 0.259 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.163 5.205 -2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.956 7.059 -0.697 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.095 5.981 0.384 1.00 0.00 H new ATOM 0 HG CYS A 49 -10.105 5.582 -1.851 1.00 0.00 H new ATOM 756 N PHE A 50 -11.435 3.437 -2.264 1.00 0.00 N ATOM 757 CA PHE A 50 -10.481 2.344 -2.274 1.00 0.00 C ATOM 758 C PHE A 50 -9.089 2.887 -2.005 1.00 0.00 C ATOM 759 O PHE A 50 -8.695 3.902 -2.579 1.00 0.00 O ATOM 760 CB PHE A 50 -10.498 1.625 -3.623 1.00 0.00 C ATOM 761 CG PHE A 50 -11.783 0.909 -3.911 1.00 0.00 C ATOM 762 CD1 PHE A 50 -12.716 1.447 -4.779 1.00 0.00 C ATOM 763 CD2 PHE A 50 -12.054 -0.311 -3.316 1.00 0.00 C ATOM 764 CE1 PHE A 50 -13.896 0.783 -5.049 1.00 0.00 C ATOM 765 CE2 PHE A 50 -13.231 -0.977 -3.580 1.00 0.00 C ATOM 766 CZ PHE A 50 -14.155 -0.431 -4.448 1.00 0.00 C ATOM 0 H PHE A 50 -11.515 3.930 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.757 1.631 -1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.313 2.352 -4.414 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.678 0.907 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -12.519 2.398 -5.251 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -11.335 -0.746 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -14.615 1.214 -5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -13.431 -1.927 -3.107 1.00 0.00 H new ATOM 0 HZ PHE A 50 -15.078 -0.953 -4.656 1.00 0.00 H new ATOM 776 N VAL A 51 -8.359 2.240 -1.118 1.00 0.00 N ATOM 777 CA VAL A 51 -6.998 2.657 -0.819 1.00 0.00 C ATOM 778 C VAL A 51 -6.039 1.475 -0.876 1.00 0.00 C ATOM 779 O VAL A 51 -6.219 0.476 -0.174 1.00 0.00 O ATOM 780 CB VAL A 51 -6.890 3.356 0.558 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.524 4.740 0.512 1.00 0.00 C ATOM 782 CG2 VAL A 51 -7.537 2.522 1.654 1.00 0.00 C ATOM 0 H VAL A 51 -8.681 1.427 -0.593 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.718 3.381 -1.585 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.830 3.462 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.437 5.213 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.013 5.350 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.577 4.649 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.444 3.040 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.592 2.373 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.039 1.554 1.717 1.00 0.00 H new ATOM 792 N GLU A 52 -5.038 1.585 -1.738 1.00 0.00 N ATOM 793 CA GLU A 52 -4.018 0.555 -1.864 1.00 0.00 C ATOM 794 C GLU A 52 -2.869 0.818 -0.900 1.00 0.00 C ATOM 795 O GLU A 52 -2.344 1.933 -0.836 1.00 0.00 O ATOM 796 CB GLU A 52 -3.470 0.486 -3.295 1.00 0.00 C ATOM 797 CG GLU A 52 -4.393 -0.191 -4.302 1.00 0.00 C ATOM 798 CD GLU A 52 -5.613 0.631 -4.660 1.00 0.00 C ATOM 799 OE1 GLU A 52 -6.701 0.350 -4.122 1.00 0.00 O ATOM 800 OE2 GLU A 52 -5.492 1.542 -5.508 1.00 0.00 O ATOM 0 H GLU A 52 -4.911 2.381 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.487 -0.398 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.262 1.499 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.519 -0.047 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.830 -0.404 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.718 -1.149 -3.896 1.00 0.00 H new ATOM 807 N PHE A 53 -2.485 -0.202 -0.152 1.00 0.00 N ATOM 808 CA PHE A 53 -1.353 -0.105 0.761 1.00 0.00 C ATOM 809 C PHE A 53 -0.123 -0.775 0.163 1.00 0.00 C ATOM 810 O PHE A 53 -0.230 -1.771 -0.551 1.00 0.00 O ATOM 811 CB PHE A 53 -1.686 -0.762 2.103 1.00 0.00 C ATOM 812 CG PHE A 53 -2.443 0.124 3.050 1.00 0.00 C ATOM 813 CD1 PHE A 53 -3.741 0.520 2.774 1.00 0.00 C ATOM 814 CD2 PHE A 53 -1.850 0.553 4.228 1.00 0.00 C ATOM 815 CE1 PHE A 53 -4.433 1.329 3.655 1.00 0.00 C ATOM 816 CE2 PHE A 53 -2.536 1.361 5.110 1.00 0.00 C ATOM 817 CZ PHE A 53 -3.830 1.749 4.824 1.00 0.00 C ATOM 0 H PHE A 53 -2.942 -1.114 -0.158 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.142 0.952 0.922 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.272 -1.663 1.919 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.758 -1.077 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.217 0.193 1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.839 0.251 4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.445 1.633 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.062 1.690 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.370 2.380 5.514 1.00 0.00 H new ATOM 827 N HIS A 54 1.046 -0.211 0.454 1.00 0.00 N ATOM 828 CA HIS A 54 2.311 -0.819 0.048 1.00 0.00 C ATOM 829 C HIS A 54 2.602 -2.046 0.905 1.00 0.00 C ATOM 830 O HIS A 54 3.372 -2.925 0.516 1.00 0.00 O ATOM 831 CB HIS A 54 3.471 0.174 0.180 1.00 0.00 C ATOM 832 CG HIS A 54 3.547 1.200 -0.910 1.00 0.00 C ATOM 833 ND1 HIS A 54 3.954 0.906 -2.192 1.00 0.00 N ATOM 834 CD2 HIS A 54 3.300 2.531 -0.894 1.00 0.00 C ATOM 835 CE1 HIS A 54 3.958 2.008 -2.916 1.00 0.00 C ATOM 836 NE2 HIS A 54 3.564 3.007 -2.153 1.00 0.00 N ATOM 0 H HIS A 54 1.144 0.664 0.968 1.00 0.00 H new ATOM 0 HA HIS A 54 2.219 -1.112 -0.998 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.384 0.687 1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.407 -0.383 0.201 1.00 0.00 H new ATOM 0 HD2 HIS A 54 2.959 3.110 -0.048 1.00 0.00 H new ATOM 0 HE1 HIS A 54 4.237 2.079 -3.957 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.470 3.978 -2.451 1.00 0.00 H new ATOM 845 N GLU A 55 1.977 -2.094 2.077 1.00 0.00 N ATOM 846 CA GLU A 55 2.173 -3.191 3.014 1.00 0.00 C ATOM 847 C GLU A 55 0.840 -3.818 3.393 1.00 0.00 C ATOM 848 O GLU A 55 0.033 -3.211 4.098 1.00 0.00 O ATOM 849 CB GLU A 55 2.876 -2.702 4.277 1.00 0.00 C ATOM 850 CG GLU A 55 4.287 -2.203 4.045 1.00 0.00 C ATOM 851 CD GLU A 55 4.906 -1.685 5.315 1.00 0.00 C ATOM 852 OE1 GLU A 55 4.595 -0.544 5.694 1.00 0.00 O ATOM 853 OE2 GLU A 55 5.679 -2.427 5.956 1.00 0.00 O ATOM 0 H GLU A 55 1.326 -1.379 2.401 1.00 0.00 H new ATOM 0 HA GLU A 55 2.796 -3.940 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.287 -1.900 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.904 -3.515 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.899 -3.012 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.275 -1.411 3.296 1.00 0.00 H new ATOM 860 N HIS A 56 0.621 -5.037 2.917 1.00 0.00 N ATOM 861 CA HIS A 56 -0.591 -5.791 3.225 1.00 0.00 C ATOM 862 C HIS A 56 -0.753 -5.994 4.731 1.00 0.00 C ATOM 863 O HIS A 56 -1.871 -6.037 5.243 1.00 0.00 O ATOM 864 CB HIS A 56 -0.558 -7.145 2.502 1.00 0.00 C ATOM 865 CG HIS A 56 -1.671 -8.073 2.883 1.00 0.00 C ATOM 866 ND1 HIS A 56 -2.940 -7.982 2.361 1.00 0.00 N ATOM 867 CD2 HIS A 56 -1.696 -9.117 3.746 1.00 0.00 C ATOM 868 CE1 HIS A 56 -3.695 -8.925 2.884 1.00 0.00 C ATOM 869 NE2 HIS A 56 -2.967 -9.631 3.727 1.00 0.00 N ATOM 0 H HIS A 56 1.274 -5.531 2.309 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.449 -5.217 2.875 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.597 -6.971 1.427 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.394 -7.633 2.711 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -3.248 -7.292 1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.868 -9.478 4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -4.738 -9.093 2.660 1.00 0.00 H new ATOM 878 N ARG A 57 0.362 -6.116 5.437 1.00 0.00 N ATOM 879 CA ARG A 57 0.324 -6.333 6.878 1.00 0.00 C ATOM 880 C ARG A 57 -0.215 -5.106 7.609 1.00 0.00 C ATOM 881 O ARG A 57 -0.943 -5.232 8.589 1.00 0.00 O ATOM 882 CB ARG A 57 1.707 -6.697 7.417 1.00 0.00 C ATOM 883 CG ARG A 57 2.243 -8.027 6.906 1.00 0.00 C ATOM 884 CD ARG A 57 3.474 -8.459 7.686 1.00 0.00 C ATOM 885 NE ARG A 57 3.167 -8.669 9.099 1.00 0.00 N ATOM 886 CZ ARG A 57 3.743 -8.005 10.102 1.00 0.00 C ATOM 887 NH1 ARG A 57 4.687 -7.104 9.852 1.00 0.00 N ATOM 888 NH2 ARG A 57 3.369 -8.244 11.353 1.00 0.00 N ATOM 0 H ARG A 57 1.300 -6.069 5.039 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.352 -7.168 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.409 -5.907 7.149 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.664 -6.729 8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.469 -8.790 6.990 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.491 -7.940 5.848 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.872 -9.379 7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.251 -7.701 7.590 1.00 0.00 H new ATOM 0 HE ARG A 57 2.465 -9.371 9.334 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.973 -6.918 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.126 -6.598 10.621 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.643 -8.934 11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.808 -7.738 12.122 1.00 0.00 H new ATOM 902 N HIS A 58 0.120 -3.918 7.116 1.00 0.00 N ATOM 903 CA HIS A 58 -0.351 -2.686 7.741 1.00 0.00 C ATOM 904 C HIS A 58 -1.789 -2.400 7.329 1.00 0.00 C ATOM 905 O HIS A 58 -2.512 -1.686 8.017 1.00 0.00 O ATOM 906 CB HIS A 58 0.558 -1.502 7.393 1.00 0.00 C ATOM 907 CG HIS A 58 1.792 -1.426 8.244 1.00 0.00 C ATOM 908 ND1 HIS A 58 3.029 -1.071 7.755 1.00 0.00 N ATOM 909 CD2 HIS A 58 1.969 -1.651 9.569 1.00 0.00 C ATOM 910 CE1 HIS A 58 3.908 -1.080 8.735 1.00 0.00 C ATOM 911 NE2 HIS A 58 3.294 -1.427 9.849 1.00 0.00 N ATOM 0 H HIS A 58 0.709 -3.782 6.295 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.318 -2.822 8.822 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.852 -1.575 6.346 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.007 -0.576 7.502 1.00 0.00 H new ATOM 0 HD1 HIS A 58 3.233 -0.837 6.783 1.00 0.00 H new ATOM 0 HD2 HIS A 58 1.208 -1.951 10.274 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.957 -0.843 8.642 1.00 0.00 H new ATOM 920 N ALA A 59 -2.199 -2.988 6.215 1.00 0.00 N ATOM 921 CA ALA A 59 -3.572 -2.867 5.741 1.00 0.00 C ATOM 922 C ALA A 59 -4.536 -3.530 6.722 1.00 0.00 C ATOM 923 O ALA A 59 -5.665 -3.077 6.906 1.00 0.00 O ATOM 924 CB ALA A 59 -3.697 -3.492 4.362 1.00 0.00 C ATOM 0 H ALA A 59 -1.598 -3.557 5.619 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.832 -1.811 5.673 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.725 -3.399 4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.030 -2.980 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.426 -4.546 4.414 1.00 0.00 H new ATOM 930 N ALA A 60 -4.062 -4.592 7.366 1.00 0.00 N ATOM 931 CA ALA A 60 -4.854 -5.320 8.347 1.00 0.00 C ATOM 932 C ALA A 60 -5.164 -4.450 9.556 1.00 0.00 C ATOM 933 O ALA A 60 -6.305 -4.391 10.023 1.00 0.00 O ATOM 934 CB ALA A 60 -4.111 -6.570 8.786 1.00 0.00 C ATOM 0 H ALA A 60 -3.125 -4.969 7.223 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.798 -5.603 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.709 -7.110 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.933 -7.210 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.157 -6.289 9.232 1.00 0.00 H new ATOM 940 N ALA A 61 -4.138 -3.768 10.055 1.00 0.00 N ATOM 941 CA ALA A 61 -4.286 -2.898 11.213 1.00 0.00 C ATOM 942 C ALA A 61 -5.219 -1.734 10.899 1.00 0.00 C ATOM 943 O ALA A 61 -6.023 -1.325 11.737 1.00 0.00 O ATOM 944 CB ALA A 61 -2.926 -2.383 11.663 1.00 0.00 C ATOM 0 H ALA A 61 -3.193 -3.802 9.673 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.726 -3.478 12.024 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.051 -1.734 12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.288 -3.226 11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.463 -1.820 10.852 1.00 0.00 H new ATOM 950 N ALA A 62 -5.110 -1.218 9.679 1.00 0.00 N ATOM 951 CA ALA A 62 -5.956 -0.122 9.225 1.00 0.00 C ATOM 952 C ALA A 62 -7.427 -0.521 9.264 1.00 0.00 C ATOM 953 O ALA A 62 -8.285 0.271 9.650 1.00 0.00 O ATOM 954 CB ALA A 62 -5.560 0.301 7.818 1.00 0.00 C ATOM 0 H ALA A 62 -4.439 -1.545 8.984 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.814 0.723 9.899 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.200 1.121 7.491 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.521 0.629 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.676 -0.543 7.138 1.00 0.00 H new ATOM 960 N LEU A 63 -7.705 -1.759 8.874 1.00 0.00 N ATOM 961 CA LEU A 63 -9.066 -2.278 8.885 1.00 0.00 C ATOM 962 C LEU A 63 -9.634 -2.272 10.299 1.00 0.00 C ATOM 963 O LEU A 63 -10.658 -1.645 10.567 1.00 0.00 O ATOM 964 CB LEU A 63 -9.104 -3.704 8.325 1.00 0.00 C ATOM 965 CG LEU A 63 -10.501 -4.322 8.221 1.00 0.00 C ATOM 966 CD1 LEU A 63 -10.910 -4.474 6.763 1.00 0.00 C ATOM 967 CD2 LEU A 63 -10.548 -5.666 8.934 1.00 0.00 C ATOM 0 H LEU A 63 -7.004 -2.423 8.546 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.676 -1.630 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.650 -3.701 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.487 -4.343 8.957 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.209 -3.652 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.905 -4.915 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.920 -3.495 6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.198 -5.121 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.549 -6.088 8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.827 -6.345 8.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.301 -5.528 9.987 1.00 0.00 H new ATOM 979 N ALA A 64 -8.943 -2.950 11.204 1.00 0.00 N ATOM 980 CA ALA A 64 -9.424 -3.123 12.569 1.00 0.00 C ATOM 981 C ALA A 64 -9.540 -1.791 13.305 1.00 0.00 C ATOM 982 O ALA A 64 -10.508 -1.559 14.031 1.00 0.00 O ATOM 983 CB ALA A 64 -8.507 -4.068 13.329 1.00 0.00 C ATOM 0 H ALA A 64 -8.043 -3.392 11.017 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.424 -3.554 12.516 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.875 -4.191 14.348 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.489 -5.037 12.830 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.499 -3.654 13.355 1.00 0.00 H new ATOM 989 N ALA A 65 -8.565 -0.915 13.102 1.00 0.00 N ATOM 990 CA ALA A 65 -8.508 0.342 13.834 1.00 0.00 C ATOM 991 C ALA A 65 -9.532 1.353 13.327 1.00 0.00 C ATOM 992 O ALA A 65 -10.060 2.149 14.101 1.00 0.00 O ATOM 993 CB ALA A 65 -7.108 0.932 13.760 1.00 0.00 C ATOM 0 H ALA A 65 -7.804 -1.052 12.437 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.755 0.122 14.873 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.080 1.872 14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.395 0.233 14.197 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.845 1.115 12.718 1.00 0.00 H new ATOM 999 N MET A 66 -9.816 1.324 12.031 1.00 0.00 N ATOM 1000 CA MET A 66 -10.695 2.321 11.434 1.00 0.00 C ATOM 1001 C MET A 66 -12.148 1.857 11.421 1.00 0.00 C ATOM 1002 O MET A 66 -13.055 2.647 11.665 1.00 0.00 O ATOM 1003 CB MET A 66 -10.245 2.649 10.009 1.00 0.00 C ATOM 1004 CG MET A 66 -10.879 3.912 9.447 1.00 0.00 C ATOM 1005 SD MET A 66 -10.353 5.396 10.327 1.00 0.00 S ATOM 1006 CE MET A 66 -8.590 5.353 10.020 1.00 0.00 C ATOM 0 H MET A 66 -9.455 0.628 11.379 1.00 0.00 H new ATOM 0 HA MET A 66 -10.631 3.219 12.049 1.00 0.00 H new ATOM 0 HB2 MET A 66 -9.161 2.760 9.995 1.00 0.00 H new ATOM 0 HB3 MET A 66 -10.488 1.809 9.358 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.620 4.007 8.393 1.00 0.00 H new ATOM 0 HG3 MET A 66 -11.964 3.826 9.502 1.00 0.00 H new ATOM 0 HE1 MET A 66 -8.131 6.262 10.408 1.00 0.00 H new ATOM 0 HE2 MET A 66 -8.155 4.486 10.517 1.00 0.00 H new ATOM 0 HE3 MET A 66 -8.409 5.285 8.947 1.00 0.00 H new ATOM 1016 N ASN A 67 -12.373 0.581 11.140 1.00 0.00 N ATOM 1017 CA ASN A 67 -13.732 0.056 11.027 1.00 0.00 C ATOM 1018 C ASN A 67 -14.469 0.150 12.358 1.00 0.00 C ATOM 1019 O ASN A 67 -13.984 -0.332 13.383 1.00 0.00 O ATOM 1020 CB ASN A 67 -13.711 -1.396 10.537 1.00 0.00 C ATOM 1021 CG ASN A 67 -15.101 -1.985 10.404 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -15.777 -1.784 9.395 1.00 0.00 O ATOM 1023 ND2 ASN A 67 -15.527 -2.734 11.408 1.00 0.00 N ATOM 0 H ASN A 67 -11.638 -0.109 10.986 1.00 0.00 H new ATOM 0 HA ASN A 67 -14.265 0.665 10.297 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.206 -1.443 9.572 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -13.128 -2.002 11.231 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -16.448 -3.171 11.364 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.935 -2.875 12.226 1.00 0.00 H new ATOM 1030 N GLY A 68 -15.632 0.789 12.335 1.00 0.00 N ATOM 1031 CA GLY A 68 -16.437 0.913 13.535 1.00 0.00 C ATOM 1032 C GLY A 68 -16.170 2.205 14.281 1.00 0.00 C ATOM 1033 O GLY A 68 -16.774 2.465 15.324 1.00 0.00 O ATOM 0 H GLY A 68 -16.033 1.225 11.504 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -17.492 0.863 13.268 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.235 0.068 14.194 1.00 0.00 H new ATOM 1037 N ARG A 69 -15.270 3.014 13.746 1.00 0.00 N ATOM 1038 CA ARG A 69 -14.925 4.288 14.360 1.00 0.00 C ATOM 1039 C ARG A 69 -15.992 5.326 14.018 1.00 0.00 C ATOM 1040 O ARG A 69 -16.717 5.174 13.035 1.00 0.00 O ATOM 1041 CB ARG A 69 -13.551 4.742 13.859 1.00 0.00 C ATOM 1042 CG ARG A 69 -12.978 5.935 14.601 1.00 0.00 C ATOM 1043 CD ARG A 69 -11.612 6.312 14.060 1.00 0.00 C ATOM 1044 NE ARG A 69 -11.003 7.398 14.825 1.00 0.00 N ATOM 1045 CZ ARG A 69 -9.757 7.831 14.644 1.00 0.00 C ATOM 1046 NH1 ARG A 69 -8.992 7.303 13.697 1.00 0.00 N ATOM 1047 NH2 ARG A 69 -9.280 8.798 15.411 1.00 0.00 N ATOM 0 H ARG A 69 -14.763 2.811 12.885 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.882 4.176 15.443 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.854 3.908 13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.627 4.990 12.800 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.656 6.784 14.509 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.900 5.703 15.663 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.959 5.440 14.085 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.705 6.611 13.016 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.568 7.853 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.357 6.560 13.101 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.038 7.640 13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.866 9.209 16.138 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -8.326 9.133 15.276 1.00 0.00 H new ATOM 1061 N LYS A 70 -16.112 6.359 14.837 1.00 0.00 N ATOM 1062 CA LYS A 70 -17.070 7.417 14.572 1.00 0.00 C ATOM 1063 C LYS A 70 -16.352 8.657 14.062 1.00 0.00 C ATOM 1064 O LYS A 70 -15.492 9.217 14.747 1.00 0.00 O ATOM 1065 CB LYS A 70 -17.872 7.746 15.830 1.00 0.00 C ATOM 1066 CG LYS A 70 -19.073 8.636 15.563 1.00 0.00 C ATOM 1067 CD LYS A 70 -19.947 8.768 16.792 1.00 0.00 C ATOM 1068 CE LYS A 70 -21.270 9.431 16.456 1.00 0.00 C ATOM 1069 NZ LYS A 70 -22.173 9.484 17.631 1.00 0.00 N ATOM 0 H LYS A 70 -15.561 6.486 15.686 1.00 0.00 H new ATOM 0 HA LYS A 70 -17.764 7.072 13.805 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -18.212 6.817 16.289 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.218 8.237 16.551 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.734 9.623 15.248 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -19.658 8.223 14.741 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -20.130 7.782 17.219 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -19.427 9.353 17.551 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -21.088 10.442 16.092 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.756 8.884 15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -23.066 9.944 17.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -22.367 8.518 17.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -21.720 10.028 18.393 1.00 0.00 H new ATOM 1083 N ILE A 71 -16.694 9.067 12.849 1.00 0.00 N ATOM 1084 CA ILE A 71 -16.073 10.226 12.222 1.00 0.00 C ATOM 1085 C ILE A 71 -17.132 11.073 11.527 1.00 0.00 C ATOM 1086 O ILE A 71 -17.923 10.556 10.736 1.00 0.00 O ATOM 1087 CB ILE A 71 -14.985 9.816 11.196 1.00 0.00 C ATOM 1088 CG1 ILE A 71 -13.869 9.022 11.887 1.00 0.00 C ATOM 1089 CG2 ILE A 71 -14.409 11.048 10.511 1.00 0.00 C ATOM 1090 CD1 ILE A 71 -12.785 8.538 10.948 1.00 0.00 C ATOM 0 H ILE A 71 -17.403 8.611 12.276 1.00 0.00 H new ATOM 0 HA ILE A 71 -15.592 10.804 13.011 1.00 0.00 H new ATOM 0 HB ILE A 71 -15.447 9.181 10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -13.416 9.647 12.657 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -14.308 8.162 12.392 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -13.647 10.743 9.794 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.205 11.580 9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.962 11.704 11.258 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.034 7.986 11.513 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.223 7.886 10.192 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.317 9.393 10.461 1.00 0.00 H new ATOM 1102 N MET A 72 -17.159 12.366 11.857 1.00 0.00 N ATOM 1103 CA MET A 72 -18.129 13.308 11.293 1.00 0.00 C ATOM 1104 C MET A 72 -19.549 12.911 11.681 1.00 0.00 C ATOM 1105 O MET A 72 -20.513 13.258 10.999 1.00 0.00 O ATOM 1106 CB MET A 72 -18.004 13.390 9.765 1.00 0.00 C ATOM 1107 CG MET A 72 -16.675 13.948 9.283 1.00 0.00 C ATOM 1108 SD MET A 72 -16.380 15.629 9.863 1.00 0.00 S ATOM 1109 CE MET A 72 -14.800 15.979 9.090 1.00 0.00 C ATOM 0 H MET A 72 -16.511 12.789 12.521 1.00 0.00 H new ATOM 0 HA MET A 72 -17.911 14.293 11.705 1.00 0.00 H new ATOM 0 HB2 MET A 72 -18.142 12.393 9.345 1.00 0.00 H new ATOM 0 HB3 MET A 72 -18.810 14.013 9.378 1.00 0.00 H new ATOM 0 HG2 MET A 72 -15.867 13.302 9.627 1.00 0.00 H new ATOM 0 HG3 MET A 72 -16.653 13.934 8.193 1.00 0.00 H new ATOM 0 HE1 MET A 72 -14.631 17.056 9.078 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.004 15.493 9.654 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.804 15.601 8.068 1.00 0.00 H new ATOM 1119 N GLY A 73 -19.666 12.172 12.779 1.00 0.00 N ATOM 1120 CA GLY A 73 -20.957 11.688 13.222 1.00 0.00 C ATOM 1121 C GLY A 73 -21.495 10.571 12.343 1.00 0.00 C ATOM 1122 O GLY A 73 -22.600 10.075 12.566 1.00 0.00 O ATOM 0 H GLY A 73 -18.883 11.899 13.373 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -20.874 11.330 14.248 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -21.668 12.514 13.229 1.00 0.00 H new ATOM 1126 N LYS A 74 -20.706 10.161 11.357 1.00 0.00 N ATOM 1127 CA LYS A 74 -21.130 9.154 10.397 1.00 0.00 C ATOM 1128 C LYS A 74 -20.449 7.822 10.677 1.00 0.00 C ATOM 1129 O LYS A 74 -19.492 7.749 11.451 1.00 0.00 O ATOM 1130 CB LYS A 74 -20.820 9.616 8.967 1.00 0.00 C ATOM 1131 CG LYS A 74 -21.562 10.877 8.565 1.00 0.00 C ATOM 1132 CD LYS A 74 -23.059 10.727 8.769 1.00 0.00 C ATOM 1133 CE LYS A 74 -23.801 12.001 8.409 1.00 0.00 C ATOM 1134 NZ LYS A 74 -23.632 12.359 6.976 1.00 0.00 N ATOM 0 H LYS A 74 -19.762 10.515 11.202 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.207 9.019 10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.748 9.789 8.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.075 8.816 8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -21.196 11.719 9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -21.357 11.104 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -23.430 9.904 8.158 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.261 10.468 9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -24.861 11.877 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.440 12.819 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.296 13.120 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.657 12.683 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -23.824 11.525 6.385 1.00 0.00 H new ATOM 1148 N GLU A 75 -20.954 6.777 10.043 1.00 0.00 N ATOM 1149 CA GLU A 75 -20.437 5.437 10.246 1.00 0.00 C ATOM 1150 C GLU A 75 -19.376 5.111 9.204 1.00 0.00 C ATOM 1151 O GLU A 75 -19.678 4.985 8.010 1.00 0.00 O ATOM 1152 CB GLU A 75 -21.566 4.404 10.171 1.00 0.00 C ATOM 1153 CG GLU A 75 -21.077 2.968 10.311 1.00 0.00 C ATOM 1154 CD GLU A 75 -22.158 1.943 10.049 1.00 0.00 C ATOM 1155 OE1 GLU A 75 -22.649 1.324 11.014 1.00 0.00 O ATOM 1156 OE2 GLU A 75 -22.515 1.741 8.872 1.00 0.00 O ATOM 0 H GLU A 75 -21.727 6.833 9.379 1.00 0.00 H new ATOM 0 HA GLU A 75 -19.987 5.397 11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -22.292 4.612 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -22.086 4.513 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -20.252 2.802 9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -20.682 2.822 11.316 1.00 0.00 H new ATOM 1163 N VAL A 76 -18.138 4.990 9.652 1.00 0.00 N ATOM 1164 CA VAL A 76 -17.061 4.580 8.775 1.00 0.00 C ATOM 1165 C VAL A 76 -17.019 3.057 8.696 1.00 0.00 C ATOM 1166 O VAL A 76 -17.140 2.360 9.710 1.00 0.00 O ATOM 1167 CB VAL A 76 -15.691 5.124 9.234 1.00 0.00 C ATOM 1168 CG1 VAL A 76 -15.750 6.630 9.439 1.00 0.00 C ATOM 1169 CG2 VAL A 76 -15.230 4.438 10.501 1.00 0.00 C ATOM 0 H VAL A 76 -17.857 5.170 10.616 1.00 0.00 H new ATOM 0 HA VAL A 76 -17.259 5.000 7.789 1.00 0.00 H new ATOM 0 HB VAL A 76 -14.967 4.909 8.448 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.774 6.992 9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.024 7.114 8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.494 6.865 10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.263 4.841 10.801 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.957 4.612 11.294 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -15.137 3.367 10.322 1.00 0.00 H new ATOM 1179 N LYS A 77 -16.885 2.540 7.494 1.00 0.00 N ATOM 1180 CA LYS A 77 -16.888 1.106 7.287 1.00 0.00 C ATOM 1181 C LYS A 77 -15.658 0.685 6.520 1.00 0.00 C ATOM 1182 O LYS A 77 -15.306 1.314 5.528 1.00 0.00 O ATOM 1183 CB LYS A 77 -18.142 0.699 6.525 1.00 0.00 C ATOM 1184 CG LYS A 77 -19.423 1.168 7.188 1.00 0.00 C ATOM 1185 CD LYS A 77 -20.630 0.893 6.311 1.00 0.00 C ATOM 1186 CE LYS A 77 -20.591 1.713 5.027 1.00 0.00 C ATOM 1187 NZ LYS A 77 -20.640 3.175 5.292 1.00 0.00 N ATOM 0 H LYS A 77 -16.772 3.091 6.643 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.881 0.609 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.093 1.106 5.515 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.166 -0.387 6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.545 0.664 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -19.358 2.236 7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.667 -0.168 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.541 1.124 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -19.682 1.476 4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.432 1.432 4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.166 3.649 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.117 3.347 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.672 3.553 5.332 1.00 0.00 H new ATOM 1201 N VAL A 78 -15.008 -0.367 6.981 1.00 0.00 N ATOM 1202 CA VAL A 78 -13.790 -0.843 6.349 1.00 0.00 C ATOM 1203 C VAL A 78 -13.900 -2.333 6.065 1.00 0.00 C ATOM 1204 O VAL A 78 -13.907 -3.158 6.978 1.00 0.00 O ATOM 1205 CB VAL A 78 -12.544 -0.569 7.221 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -11.275 -0.930 6.467 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -12.502 0.886 7.665 1.00 0.00 C ATOM 0 H VAL A 78 -15.303 -0.910 7.793 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.670 -0.297 5.414 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.609 -1.195 8.111 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.408 -0.730 7.097 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.296 -1.988 6.204 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.209 -0.331 5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.616 1.054 8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.465 1.533 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.394 1.115 8.248 1.00 0.00 H new ATOM 1217 N ASN A 79 -14.013 -2.660 4.794 1.00 0.00 N ATOM 1218 CA ASN A 79 -14.160 -4.039 4.352 1.00 0.00 C ATOM 1219 C ASN A 79 -13.009 -4.397 3.413 1.00 0.00 C ATOM 1220 O ASN A 79 -12.382 -3.514 2.832 1.00 0.00 O ATOM 1221 CB ASN A 79 -15.519 -4.192 3.648 1.00 0.00 C ATOM 1222 CG ASN A 79 -15.787 -5.585 3.109 1.00 0.00 C ATOM 1223 OD1 ASN A 79 -15.281 -6.584 3.623 1.00 0.00 O ATOM 1224 ND2 ASN A 79 -16.605 -5.658 2.070 1.00 0.00 N ATOM 0 H ASN A 79 -14.006 -1.979 4.034 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.128 -4.719 5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -16.311 -3.927 4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.571 -3.480 2.825 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -16.837 -6.566 1.666 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.003 -4.807 1.674 1.00 0.00 H new ATOM 1231 N TRP A 80 -12.717 -5.680 3.279 1.00 0.00 N ATOM 1232 CA TRP A 80 -11.641 -6.129 2.410 1.00 0.00 C ATOM 1233 C TRP A 80 -12.083 -6.096 0.952 1.00 0.00 C ATOM 1234 O TRP A 80 -12.968 -6.853 0.546 1.00 0.00 O ATOM 1235 CB TRP A 80 -11.202 -7.548 2.778 1.00 0.00 C ATOM 1236 CG TRP A 80 -10.626 -7.674 4.157 1.00 0.00 C ATOM 1237 CD1 TRP A 80 -11.197 -8.298 5.228 1.00 0.00 C ATOM 1238 CD2 TRP A 80 -9.367 -7.163 4.614 1.00 0.00 C ATOM 1239 NE1 TRP A 80 -10.368 -8.216 6.319 1.00 0.00 N ATOM 1240 CE2 TRP A 80 -9.240 -7.522 5.969 1.00 0.00 C ATOM 1241 CE3 TRP A 80 -8.334 -6.442 4.010 1.00 0.00 C ATOM 1242 CZ2 TRP A 80 -8.121 -7.184 6.727 1.00 0.00 C ATOM 1243 CZ3 TRP A 80 -7.226 -6.105 4.763 1.00 0.00 C ATOM 1244 CH2 TRP A 80 -7.127 -6.477 6.109 1.00 0.00 C ATOM 0 H TRP A 80 -13.211 -6.431 3.762 1.00 0.00 H new ATOM 0 HA TRP A 80 -10.798 -5.452 2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -12.059 -8.216 2.692 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -10.461 -7.886 2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -12.161 -8.785 5.219 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -10.561 -8.608 7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -8.401 -6.153 2.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.041 -7.470 7.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -6.423 -5.546 4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -6.247 -6.200 6.671 1.00 0.00 H new ATOM 1255 N ALA A 81 -11.479 -5.211 0.168 1.00 0.00 N ATOM 1256 CA ALA A 81 -11.769 -5.144 -1.255 1.00 0.00 C ATOM 1257 C ALA A 81 -10.935 -6.180 -1.997 1.00 0.00 C ATOM 1258 O ALA A 81 -9.795 -5.923 -2.387 1.00 0.00 O ATOM 1259 CB ALA A 81 -11.510 -3.745 -1.792 1.00 0.00 C ATOM 0 H ALA A 81 -10.789 -4.534 0.493 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.824 -5.367 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.733 -3.718 -2.859 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.147 -3.031 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -10.464 -3.482 -1.634 1.00 0.00 H new