USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 863 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 59 SER OG : rot 180:sc= 0.302 USER MOD Set 1.2: A 103 THR OG1 : rot -73:sc= 0.324 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0.517 USER MOD Set 2.2: A 18 THR OG1 : rot -66:sc= 0.556 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0603 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 165:sc= -0.304 USER MOD Single : A 24 GLN : amide:sc= 0.596 K(o=0.6,f=-1.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.771 (180deg=0.768) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= -0.0014 (180deg=-0.117) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0.707 (180deg=0.672) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0297 K(o=-0.03,f=-2.2!) USER MOD Single : A 45 MET CE :methyl 178:sc= -1.31 (180deg=-1.37) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-2.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.968) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.2) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.0514 K(o=-0.051,f=-1.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 57:sc= 0.63 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 60 N LYS A 5 13.738 8.763 1.053 1.00 0.00 N ATOM 61 CA LYS A 5 12.594 8.638 1.952 1.00 0.00 C ATOM 62 C LYS A 5 11.340 8.807 1.090 1.00 0.00 C ATOM 63 O LYS A 5 11.289 9.656 0.191 1.00 0.00 O ATOM 64 CB LYS A 5 12.642 9.676 3.075 1.00 0.00 C ATOM 65 CG LYS A 5 11.547 9.518 4.123 1.00 0.00 C ATOM 66 CD LYS A 5 11.776 10.447 5.305 1.00 0.00 C ATOM 67 CE LYS A 5 11.172 11.820 5.056 1.00 0.00 C ATOM 68 NZ LYS A 5 11.485 12.774 6.155 1.00 0.00 N ATOM 0 HA LYS A 5 12.599 7.666 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.612 9.616 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.569 10.671 2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.577 9.730 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.519 8.485 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.336 10.012 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.846 10.546 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.549 12.216 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.091 11.727 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.055 13.698 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.103 12.409 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.516 12.883 6.237 1.00 0.00 H new ATOM 82 N VAL A 6 10.364 7.941 1.342 1.00 0.00 N ATOM 83 CA VAL A 6 9.020 8.028 0.765 1.00 0.00 C ATOM 84 C VAL A 6 7.992 7.829 1.887 1.00 0.00 C ATOM 85 O VAL A 6 8.194 7.016 2.796 1.00 0.00 O ATOM 86 CB VAL A 6 8.794 6.981 -0.342 1.00 0.00 C ATOM 87 CG1 VAL A 6 9.116 5.586 0.171 1.00 0.00 C ATOM 88 CG2 VAL A 6 7.361 7.044 -0.849 1.00 0.00 C ATOM 0 H VAL A 6 10.484 7.142 1.965 1.00 0.00 H new ATOM 0 HA VAL A 6 8.906 9.010 0.306 1.00 0.00 H new ATOM 0 HB VAL A 6 9.464 7.206 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.951 4.859 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.158 5.546 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.470 5.351 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.218 6.298 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.675 6.843 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.162 8.036 -1.254 1.00 0.00 H new ATOM 98 N GLU A 7 6.903 8.599 1.821 1.00 0.00 N ATOM 99 CA GLU A 7 5.831 8.562 2.818 1.00 0.00 C ATOM 100 C GLU A 7 4.589 7.958 2.158 1.00 0.00 C ATOM 101 O GLU A 7 4.194 8.354 1.054 1.00 0.00 O ATOM 102 CB GLU A 7 5.531 9.958 3.369 1.00 0.00 C ATOM 103 CG GLU A 7 4.626 9.970 4.593 1.00 0.00 C ATOM 104 CD GLU A 7 4.414 11.370 5.101 1.00 0.00 C ATOM 105 OE1 GLU A 7 3.887 12.173 4.370 1.00 0.00 O ATOM 106 OE2 GLU A 7 4.676 11.606 6.257 1.00 0.00 O ATOM 0 H GLU A 7 6.740 9.269 1.070 1.00 0.00 H new ATOM 0 HA GLU A 7 6.141 7.950 3.665 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.472 10.445 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.067 10.553 2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.664 9.522 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.067 9.358 5.380 1.00 0.00 H new ATOM 113 N VAL A 8 4.016 6.970 2.844 1.00 0.00 N ATOM 114 CA VAL A 8 2.909 6.159 2.351 1.00 0.00 C ATOM 115 C VAL A 8 1.754 6.264 3.350 1.00 0.00 C ATOM 116 O VAL A 8 1.909 5.931 4.525 1.00 0.00 O ATOM 117 CB VAL A 8 3.386 4.666 2.172 1.00 0.00 C ATOM 118 CG1 VAL A 8 2.244 3.735 1.708 1.00 0.00 C ATOM 119 CG2 VAL A 8 4.591 4.604 1.203 1.00 0.00 C ATOM 0 H VAL A 8 4.318 6.706 3.782 1.00 0.00 H new ATOM 0 HA VAL A 8 2.569 6.515 1.379 1.00 0.00 H new ATOM 0 HB VAL A 8 3.702 4.301 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.624 2.719 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.443 3.746 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.858 4.082 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.912 3.569 1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.298 5.004 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.413 5.195 1.606 1.00 0.00 H new ATOM 129 N GLN A 9 0.606 6.759 2.880 1.00 0.00 N ATOM 130 CA GLN A 9 -0.594 6.901 3.707 1.00 0.00 C ATOM 131 C GLN A 9 -1.564 5.787 3.296 1.00 0.00 C ATOM 132 O GLN A 9 -1.896 5.651 2.118 1.00 0.00 O ATOM 133 CB GLN A 9 -1.242 8.278 3.524 1.00 0.00 C ATOM 134 CG GLN A 9 -2.458 8.514 4.404 1.00 0.00 C ATOM 135 CD GLN A 9 -3.013 9.918 4.257 1.00 0.00 C ATOM 136 OE1 GLN A 9 -2.440 10.758 3.557 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.133 10.183 4.920 1.00 0.00 N ATOM 0 H GLN A 9 0.483 7.072 1.917 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.333 6.818 4.762 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.500 9.048 3.735 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -1.534 8.394 2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.233 7.791 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.189 8.340 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -4.573 9.459 5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.553 11.111 4.862 1.00 0.00 H new ATOM 146 N VAL A 10 -1.965 4.966 4.280 1.00 0.00 N ATOM 147 CA VAL A 10 -2.856 3.817 4.066 1.00 0.00 C ATOM 148 C VAL A 10 -4.204 4.132 4.717 1.00 0.00 C ATOM 149 O VAL A 10 -4.274 4.403 5.921 1.00 0.00 O ATOM 150 CB VAL A 10 -2.286 2.512 4.655 1.00 0.00 C ATOM 151 CG1 VAL A 10 -3.249 1.358 4.422 1.00 0.00 C ATOM 152 CG2 VAL A 10 -0.928 2.202 4.046 1.00 0.00 C ATOM 0 H VAL A 10 -1.678 5.083 5.252 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.963 3.658 2.993 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.160 2.645 5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.831 0.444 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.202 1.577 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.405 1.225 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.540 1.277 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.031 2.088 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.238 3.018 4.261 1.00 0.00 H new ATOM 162 N LYS A 11 -5.256 4.148 3.893 1.00 0.00 N ATOM 163 CA LYS A 11 -6.618 4.457 4.328 1.00 0.00 C ATOM 164 C LYS A 11 -7.508 3.256 3.971 1.00 0.00 C ATOM 165 O LYS A 11 -7.635 2.893 2.804 1.00 0.00 O ATOM 166 CB LYS A 11 -7.134 5.738 3.670 1.00 0.00 C ATOM 167 CG LYS A 11 -8.477 6.222 4.203 1.00 0.00 C ATOM 168 CD LYS A 11 -8.839 7.586 3.635 1.00 0.00 C ATOM 169 CE LYS A 11 -10.148 8.099 4.216 1.00 0.00 C ATOM 170 NZ LYS A 11 -10.475 9.467 3.729 1.00 0.00 N ATOM 0 H LYS A 11 -5.183 3.945 2.896 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.634 4.631 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.395 6.527 3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.222 5.571 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.253 5.501 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.440 6.277 5.291 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.040 8.296 3.851 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.922 7.520 2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.955 7.417 3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.083 8.107 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.374 9.779 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.718 10.124 4.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.562 9.455 2.693 1.00 0.00 H new ATOM 184 N ILE A 12 -8.116 2.642 4.998 1.00 0.00 N ATOM 185 CA ILE A 12 -8.973 1.444 4.839 1.00 0.00 C ATOM 186 C ILE A 12 -10.309 1.642 5.570 1.00 0.00 C ATOM 187 O ILE A 12 -10.340 2.135 6.695 1.00 0.00 O ATOM 188 CB ILE A 12 -8.286 0.174 5.373 1.00 0.00 C ATOM 189 CG1 ILE A 12 -9.187 -1.046 5.167 1.00 0.00 C ATOM 190 CG2 ILE A 12 -7.935 0.337 6.844 1.00 0.00 C ATOM 191 CD1 ILE A 12 -8.491 -2.367 5.406 1.00 0.00 C ATOM 0 H ILE A 12 -8.031 2.958 5.964 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.151 1.315 3.771 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.362 0.019 4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.043 -0.971 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.577 -1.030 4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.450 -0.570 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.258 1.183 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.845 0.515 7.418 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.194 -3.184 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.651 -2.466 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.125 -2.405 6.432 1.00 0.00 H new ATOM 203 N THR A 13 -11.419 1.267 4.916 1.00 0.00 N ATOM 204 CA THR A 13 -12.744 1.285 5.545 1.00 0.00 C ATOM 205 C THR A 13 -13.224 -0.162 5.809 1.00 0.00 C ATOM 206 O THR A 13 -13.246 -1.003 4.896 1.00 0.00 O ATOM 207 CB THR A 13 -13.778 2.022 4.672 1.00 0.00 C ATOM 208 OG1 THR A 13 -13.380 3.389 4.506 1.00 0.00 O ATOM 209 CG2 THR A 13 -15.154 1.973 5.319 1.00 0.00 C ATOM 0 H THR A 13 -11.422 0.947 3.948 1.00 0.00 H new ATOM 0 HA THR A 13 -12.655 1.822 6.489 1.00 0.00 H new ATOM 0 HB THR A 13 -13.827 1.530 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.038 3.856 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.871 2.498 4.689 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.465 0.935 5.435 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.113 2.451 6.298 1.00 0.00 H new ATOM 217 N CYS A 14 -13.570 -0.420 7.075 1.00 0.00 N ATOM 218 CA CYS A 14 -14.010 -1.726 7.591 1.00 0.00 C ATOM 219 C CYS A 14 -14.976 -1.492 8.769 1.00 0.00 C ATOM 220 O CYS A 14 -14.820 -0.507 9.492 1.00 0.00 O ATOM 221 CB CYS A 14 -12.777 -2.541 8.051 1.00 0.00 C ATOM 222 SG CYS A 14 -13.138 -4.011 9.066 1.00 0.00 S ATOM 0 H CYS A 14 -13.551 0.300 7.797 1.00 0.00 H new ATOM 0 HA CYS A 14 -14.524 -2.288 6.812 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.224 -2.859 7.167 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.120 -1.882 8.619 1.00 0.00 H new ATOM 227 N ASN A 15 -16.012 -2.355 8.915 1.00 0.00 N ATOM 228 CA ASN A 15 -16.969 -2.319 10.069 1.00 0.00 C ATOM 229 C ASN A 15 -17.711 -0.943 10.127 1.00 0.00 C ATOM 230 O ASN A 15 -18.123 -0.466 11.198 1.00 0.00 O ATOM 231 CB ASN A 15 -16.267 -2.597 11.385 1.00 0.00 C ATOM 232 CG ASN A 15 -17.179 -3.124 12.458 1.00 0.00 C ATOM 233 OD1 ASN A 15 -18.197 -3.765 12.175 1.00 0.00 O ATOM 234 ND2 ASN A 15 -16.865 -2.786 13.683 1.00 0.00 N ATOM 0 H ASN A 15 -16.214 -3.096 8.244 1.00 0.00 H new ATOM 0 HA ASN A 15 -17.704 -3.108 9.911 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.467 -3.317 11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -15.799 -1.678 11.738 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.473 -3.053 14.457 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.012 -2.256 13.863 1.00 0.00 H new ATOM 241 N GLY A 16 -17.908 -0.333 8.930 1.00 0.00 N ATOM 242 CA GLY A 16 -18.621 0.943 8.780 1.00 0.00 C ATOM 243 C GLY A 16 -17.802 2.155 9.219 1.00 0.00 C ATOM 244 O GLY A 16 -18.278 3.289 9.132 1.00 0.00 O ATOM 0 H GLY A 16 -17.573 -0.719 8.047 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.909 1.068 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -19.541 0.906 9.363 1.00 0.00 H new ATOM 248 N LYS A 17 -16.566 1.912 9.684 1.00 0.00 N ATOM 249 CA LYS A 17 -15.653 2.958 10.199 1.00 0.00 C ATOM 250 C LYS A 17 -14.396 3.047 9.324 1.00 0.00 C ATOM 251 O LYS A 17 -13.850 2.027 8.925 1.00 0.00 O ATOM 252 CB LYS A 17 -15.264 2.675 11.651 1.00 0.00 C ATOM 253 CG LYS A 17 -14.375 3.739 12.282 1.00 0.00 C ATOM 254 CD LYS A 17 -14.107 3.437 13.749 1.00 0.00 C ATOM 255 CE LYS A 17 -13.143 4.446 14.356 1.00 0.00 C ATOM 256 NZ LYS A 17 -12.945 4.220 15.812 1.00 0.00 N ATOM 0 H LYS A 17 -16.164 0.975 9.715 1.00 0.00 H new ATOM 0 HA LYS A 17 -16.177 3.913 10.163 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -16.172 2.578 12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -14.750 1.715 11.696 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.430 3.794 11.741 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.852 4.715 12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -15.046 3.450 14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.694 2.433 13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.182 4.382 13.845 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.524 5.454 14.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.282 4.928 16.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.857 4.306 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.557 3.267 15.966 1.00 0.00 H new ATOM 270 N THR A 18 -13.930 4.277 9.046 1.00 0.00 N ATOM 271 CA THR A 18 -12.730 4.506 8.216 1.00 0.00 C ATOM 272 C THR A 18 -11.485 4.659 9.121 1.00 0.00 C ATOM 273 O THR A 18 -11.455 5.510 10.018 1.00 0.00 O ATOM 274 CB THR A 18 -12.877 5.756 7.329 1.00 0.00 C ATOM 275 OG1 THR A 18 -13.973 5.576 6.423 1.00 0.00 O ATOM 276 CG2 THR A 18 -11.603 5.998 6.534 1.00 0.00 C ATOM 0 H THR A 18 -14.368 5.134 9.385 1.00 0.00 H new ATOM 0 HA THR A 18 -12.612 3.641 7.563 1.00 0.00 H new ATOM 0 HB THR A 18 -13.063 6.618 7.970 1.00 0.00 H new ATOM 0 HG1 THR A 18 -13.763 4.853 5.796 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.725 6.885 5.913 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.769 6.147 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.401 5.135 5.899 1.00 0.00 H new ATOM 284 N TYR A 19 -10.466 3.830 8.864 1.00 0.00 N ATOM 285 CA TYR A 19 -9.199 3.801 9.611 1.00 0.00 C ATOM 286 C TYR A 19 -8.057 4.266 8.682 1.00 0.00 C ATOM 287 O TYR A 19 -7.795 3.634 7.651 1.00 0.00 O ATOM 288 CB TYR A 19 -8.915 2.356 10.121 1.00 0.00 C ATOM 289 CG TYR A 19 -10.021 1.751 11.000 1.00 0.00 C ATOM 290 CD1 TYR A 19 -10.023 1.921 12.387 1.00 0.00 C ATOM 291 CD2 TYR A 19 -11.059 1.008 10.437 1.00 0.00 C ATOM 292 CE1 TYR A 19 -11.019 1.370 13.173 1.00 0.00 C ATOM 293 CE2 TYR A 19 -12.049 0.461 11.220 1.00 0.00 C ATOM 294 CZ TYR A 19 -12.030 0.643 12.583 1.00 0.00 C ATOM 295 OH TYR A 19 -13.026 0.089 13.362 1.00 0.00 O ATOM 0 H TYR A 19 -10.499 3.142 8.111 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.266 4.467 10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.759 1.706 9.260 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.984 2.363 10.687 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.234 2.492 12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.086 0.860 9.368 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.004 1.509 14.244 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -12.842 -0.112 10.764 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.661 -0.390 12.789 1.00 0.00 H new ATOM 305 N GLU A 20 -7.393 5.371 9.036 1.00 0.00 N ATOM 306 CA GLU A 20 -6.275 5.924 8.241 1.00 0.00 C ATOM 307 C GLU A 20 -5.029 6.138 9.108 1.00 0.00 C ATOM 308 O GLU A 20 -5.149 6.476 10.295 1.00 0.00 O ATOM 309 CB GLU A 20 -6.682 7.244 7.581 1.00 0.00 C ATOM 310 CG GLU A 20 -7.070 8.343 8.560 1.00 0.00 C ATOM 311 CD GLU A 20 -7.519 9.583 7.839 1.00 0.00 C ATOM 312 OE1 GLU A 20 -7.589 9.555 6.634 1.00 0.00 O ATOM 313 OE2 GLU A 20 -7.900 10.524 8.496 1.00 0.00 O ATOM 0 H GLU A 20 -7.608 5.910 9.875 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.034 5.198 7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.855 7.598 6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.522 7.058 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.870 7.988 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.220 8.580 9.200 1.00 0.00 H new ATOM 320 N ARG A 21 -3.842 5.895 8.510 1.00 0.00 N ATOM 321 CA ARG A 21 -2.540 6.075 9.182 1.00 0.00 C ATOM 322 C ARG A 21 -1.441 6.349 8.129 1.00 0.00 C ATOM 323 O ARG A 21 -1.379 5.665 7.102 1.00 0.00 O ATOM 324 CB ARG A 21 -2.182 4.903 10.084 1.00 0.00 C ATOM 325 CG ARG A 21 -0.977 5.133 10.983 1.00 0.00 C ATOM 326 CD ARG A 21 -0.721 4.041 11.955 1.00 0.00 C ATOM 327 NE ARG A 21 0.543 4.150 12.666 1.00 0.00 N ATOM 328 CZ ARG A 21 0.863 3.448 13.770 1.00 0.00 C ATOM 329 NH1 ARG A 21 0.005 2.615 14.316 1.00 0.00 N ATOM 330 NH2 ARG A 21 2.056 3.637 14.307 1.00 0.00 N ATOM 0 H ARG A 21 -3.762 5.568 7.547 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.617 6.941 9.840 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.044 4.667 10.709 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.991 4.029 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.093 5.262 10.359 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.120 6.065 11.531 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.532 4.022 12.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.745 3.088 11.426 1.00 0.00 H new ATOM 0 HE ARG A 21 1.236 4.804 12.303 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.920 2.492 13.904 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.264 2.091 15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.706 4.300 13.885 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.327 3.120 15.143 1.00 0.00 H new ATOM 344 N THR A 22 -0.600 7.370 8.391 1.00 0.00 N ATOM 345 CA THR A 22 0.507 7.779 7.498 1.00 0.00 C ATOM 346 C THR A 22 1.839 7.185 8.015 1.00 0.00 C ATOM 347 O THR A 22 2.170 7.334 9.194 1.00 0.00 O ATOM 348 CB THR A 22 0.632 9.310 7.403 1.00 0.00 C ATOM 349 OG1 THR A 22 -0.612 9.867 6.960 1.00 0.00 O ATOM 350 CG2 THR A 22 1.732 9.696 6.424 1.00 0.00 C ATOM 0 H THR A 22 -0.669 7.939 9.235 1.00 0.00 H new ATOM 0 HA THR A 22 0.286 7.398 6.501 1.00 0.00 H new ATOM 0 HB THR A 22 0.883 9.700 8.389 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.532 10.842 6.902 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.806 10.782 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.682 9.284 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.496 9.299 5.437 1.00 0.00 H new ATOM 358 N TYR A 23 2.580 6.504 7.126 1.00 0.00 N ATOM 359 CA TYR A 23 3.851 5.832 7.466 1.00 0.00 C ATOM 360 C TYR A 23 5.016 6.486 6.717 1.00 0.00 C ATOM 361 O TYR A 23 4.882 6.835 5.553 1.00 0.00 O ATOM 362 CB TYR A 23 3.784 4.339 7.134 1.00 0.00 C ATOM 363 CG TYR A 23 2.617 3.621 7.773 1.00 0.00 C ATOM 364 CD1 TYR A 23 2.738 3.051 9.032 1.00 0.00 C ATOM 365 CD2 TYR A 23 1.400 3.513 7.117 1.00 0.00 C ATOM 366 CE1 TYR A 23 1.675 2.393 9.622 1.00 0.00 C ATOM 367 CE2 TYR A 23 0.331 2.858 7.697 1.00 0.00 C ATOM 368 CZ TYR A 23 0.473 2.299 8.951 1.00 0.00 C ATOM 369 OH TYR A 23 -0.587 1.643 9.533 1.00 0.00 O ATOM 0 H TYR A 23 2.316 6.402 6.146 1.00 0.00 H new ATOM 0 HA TYR A 23 4.015 5.939 8.538 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.723 4.220 6.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.711 3.863 7.455 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.678 3.122 9.560 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.286 3.949 6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.785 1.955 10.603 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.610 2.784 7.172 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.412 1.865 9.054 1.00 0.00 H new ATOM 379 N GLN A 24 6.164 6.609 7.385 1.00 0.00 N ATOM 380 CA GLN A 24 7.413 7.058 6.749 1.00 0.00 C ATOM 381 C GLN A 24 8.287 5.823 6.496 1.00 0.00 C ATOM 382 O GLN A 24 8.639 5.102 7.433 1.00 0.00 O ATOM 383 CB GLN A 24 8.155 8.070 7.626 1.00 0.00 C ATOM 384 CG GLN A 24 7.437 9.399 7.789 1.00 0.00 C ATOM 385 CD GLN A 24 6.358 9.346 8.854 1.00 0.00 C ATOM 386 OE1 GLN A 24 6.498 8.655 9.867 1.00 0.00 O ATOM 387 NE2 GLN A 24 5.270 10.074 8.627 1.00 0.00 N ATOM 0 H GLN A 24 6.259 6.402 8.379 1.00 0.00 H new ATOM 0 HA GLN A 24 7.183 7.560 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.313 7.632 8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.140 8.252 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.162 10.171 8.048 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.991 9.687 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.197 10.631 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.507 10.076 9.304 1.00 0.00 H new ATOM 396 N LEU A 25 8.581 5.563 5.215 1.00 0.00 N ATOM 397 CA LEU A 25 9.406 4.428 4.768 1.00 0.00 C ATOM 398 C LEU A 25 10.740 4.976 4.230 1.00 0.00 C ATOM 399 O LEU A 25 10.748 5.704 3.239 1.00 0.00 O ATOM 400 CB LEU A 25 8.676 3.606 3.699 1.00 0.00 C ATOM 401 CG LEU A 25 7.316 3.040 4.126 1.00 0.00 C ATOM 402 CD1 LEU A 25 6.742 2.167 3.016 1.00 0.00 C ATOM 403 CD2 LEU A 25 7.478 2.242 5.410 1.00 0.00 C ATOM 0 H LEU A 25 8.248 6.144 4.446 1.00 0.00 H new ATOM 0 HA LEU A 25 9.598 3.760 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.531 4.232 2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.318 2.778 3.399 1.00 0.00 H new ATOM 0 HG LEU A 25 6.622 3.860 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.776 1.770 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.614 2.764 2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.425 1.342 2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.511 1.840 5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.176 1.422 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.863 2.892 6.196 1.00 0.00 H new ATOM 415 N TYR A 26 11.860 4.666 4.909 1.00 0.00 N ATOM 416 CA TYR A 26 13.199 5.181 4.529 1.00 0.00 C ATOM 417 C TYR A 26 14.063 4.030 3.991 1.00 0.00 C ATOM 418 O TYR A 26 14.416 3.131 4.746 1.00 0.00 O ATOM 419 CB TYR A 26 13.891 5.849 5.719 1.00 0.00 C ATOM 420 CG TYR A 26 15.032 6.761 5.331 1.00 0.00 C ATOM 421 CD1 TYR A 26 15.298 7.046 3.999 1.00 0.00 C ATOM 422 CD2 TYR A 26 15.842 7.339 6.298 1.00 0.00 C ATOM 423 CE1 TYR A 26 16.340 7.878 3.639 1.00 0.00 C ATOM 424 CE2 TYR A 26 16.887 8.173 5.951 1.00 0.00 C ATOM 425 CZ TYR A 26 17.132 8.441 4.619 1.00 0.00 C ATOM 426 OH TYR A 26 18.170 9.272 4.267 1.00 0.00 O ATOM 0 H TYR A 26 11.869 4.059 5.728 1.00 0.00 H new ATOM 0 HA TYR A 26 13.071 5.933 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 26 13.154 6.424 6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 26 14.268 5.076 6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 26 14.679 6.609 3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 26 15.652 7.133 7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 26 16.534 8.087 2.597 1.00 0.00 H new ATOM 0 HE2 TYR A 26 17.509 8.613 6.717 1.00 0.00 H new ATOM 0 HH TYR A 26 18.627 9.585 5.075 1.00 0.00 H new ATOM 436 N ALA A 27 14.412 4.081 2.695 1.00 0.00 N ATOM 437 CA ALA A 27 14.972 2.928 1.966 1.00 0.00 C ATOM 438 C ALA A 27 15.999 3.403 0.934 1.00 0.00 C ATOM 439 O ALA A 27 15.902 4.527 0.426 1.00 0.00 O ATOM 440 CB ALA A 27 13.858 2.104 1.286 1.00 0.00 C ATOM 0 H ALA A 27 14.315 4.920 2.123 1.00 0.00 H new ATOM 0 HA ALA A 27 15.472 2.280 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.301 1.261 0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 27 13.166 1.734 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.319 2.734 0.578 1.00 0.00 H new ATOM 446 N VAL A 28 16.971 2.516 0.643 1.00 0.00 N ATOM 447 CA VAL A 28 18.046 2.743 -0.348 1.00 0.00 C ATOM 448 C VAL A 28 17.732 1.992 -1.668 1.00 0.00 C ATOM 449 O VAL A 28 17.771 2.571 -2.763 1.00 0.00 O ATOM 450 CB VAL A 28 19.418 2.287 0.184 1.00 0.00 C ATOM 451 CG1 VAL A 28 20.473 2.384 -0.908 1.00 0.00 C ATOM 452 CG2 VAL A 28 19.825 3.117 1.391 1.00 0.00 C ATOM 0 H VAL A 28 17.034 1.605 1.097 1.00 0.00 H new ATOM 0 HA VAL A 28 18.090 3.816 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 28 19.337 1.245 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 28 21.436 2.058 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 28 20.189 1.747 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 28 20.551 3.417 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 28 20.797 2.781 1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 28 19.888 4.167 1.106 1.00 0.00 H new ATOM 0 HG23 VAL A 28 19.083 2.999 2.181 1.00 0.00 H new ATOM 462 N ARG A 29 17.426 0.693 -1.538 1.00 0.00 N ATOM 463 CA ARG A 29 17.149 -0.208 -2.671 1.00 0.00 C ATOM 464 C ARG A 29 15.625 -0.450 -2.793 1.00 0.00 C ATOM 465 O ARG A 29 14.905 -0.419 -1.788 1.00 0.00 O ATOM 466 CB ARG A 29 17.926 -1.513 -2.578 1.00 0.00 C ATOM 467 CG ARG A 29 19.433 -1.370 -2.717 1.00 0.00 C ATOM 468 CD ARG A 29 20.204 -2.559 -2.270 1.00 0.00 C ATOM 469 NE ARG A 29 20.102 -2.842 -0.847 1.00 0.00 N ATOM 470 CZ ARG A 29 20.552 -3.967 -0.256 1.00 0.00 C ATOM 471 NH1 ARG A 29 21.098 -4.931 -0.965 1.00 0.00 N ATOM 472 NH2 ARG A 29 20.407 -4.087 1.052 1.00 0.00 N ATOM 0 H ARG A 29 17.363 0.230 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 29 17.496 0.280 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 29 17.707 -1.982 -1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.566 -2.189 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 29 19.672 -1.168 -3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 29 19.759 -0.503 -2.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 19.859 -3.430 -2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 29 21.254 -2.413 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 29 19.659 -2.140 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 29 21.186 -4.833 -1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 29 21.434 -5.776 -0.503 1.00 0.00 H new ATOM 0 HH21 ARG A 29 19.964 -3.340 1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 29 20.738 -4.927 1.527 1.00 0.00 H new ATOM 486 N ASP A 30 15.145 -0.715 -4.033 1.00 0.00 N ATOM 487 CA ASP A 30 13.718 -1.033 -4.305 1.00 0.00 C ATOM 488 C ASP A 30 13.247 -2.269 -3.511 1.00 0.00 C ATOM 489 O ASP A 30 12.117 -2.289 -3.015 1.00 0.00 O ATOM 490 CB ASP A 30 13.496 -1.262 -5.802 1.00 0.00 C ATOM 491 CG ASP A 30 13.538 0.005 -6.646 1.00 0.00 C ATOM 492 OD1 ASP A 30 13.507 1.073 -6.081 1.00 0.00 O ATOM 493 OD2 ASP A 30 13.759 -0.100 -7.829 1.00 0.00 O ATOM 0 H ASP A 30 15.730 -0.715 -4.868 1.00 0.00 H new ATOM 0 HA ASP A 30 13.127 -0.177 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.256 -1.953 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.530 -1.746 -5.944 1.00 0.00 H new ATOM 498 N GLU A 31 14.124 -3.290 -3.363 1.00 0.00 N ATOM 499 CA GLU A 31 13.791 -4.530 -2.612 1.00 0.00 C ATOM 500 C GLU A 31 13.554 -4.222 -1.112 1.00 0.00 C ATOM 501 O GLU A 31 12.715 -4.851 -0.467 1.00 0.00 O ATOM 502 CB GLU A 31 14.904 -5.570 -2.764 1.00 0.00 C ATOM 503 CG GLU A 31 15.038 -6.145 -4.168 1.00 0.00 C ATOM 504 CD GLU A 31 13.768 -6.819 -4.606 1.00 0.00 C ATOM 505 OE1 GLU A 31 13.251 -7.613 -3.857 1.00 0.00 O ATOM 506 OE2 GLU A 31 13.253 -6.460 -5.638 1.00 0.00 O ATOM 0 H GLU A 31 15.067 -3.282 -3.752 1.00 0.00 H new ATOM 0 HA GLU A 31 12.871 -4.937 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 31 15.852 -5.114 -2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.720 -6.387 -2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.289 -5.347 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.859 -6.861 -4.193 1.00 0.00 H new ATOM 513 N GLU A 32 14.303 -3.238 -0.576 1.00 0.00 N ATOM 514 CA GLU A 32 14.255 -2.873 0.857 1.00 0.00 C ATOM 515 C GLU A 32 12.866 -2.307 1.225 1.00 0.00 C ATOM 516 O GLU A 32 12.334 -2.590 2.300 1.00 0.00 O ATOM 517 CB GLU A 32 15.348 -1.855 1.192 1.00 0.00 C ATOM 518 CG GLU A 32 16.762 -2.417 1.160 1.00 0.00 C ATOM 519 CD GLU A 32 17.786 -1.324 1.281 1.00 0.00 C ATOM 520 OE1 GLU A 32 17.412 -0.177 1.243 1.00 0.00 O ATOM 521 OE2 GLU A 32 18.929 -1.632 1.526 1.00 0.00 O ATOM 0 H GLU A 32 14.956 -2.675 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 32 14.431 -3.774 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.284 -1.026 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 32 15.155 -1.446 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.891 -3.131 1.974 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.918 -2.963 0.230 1.00 0.00 H new ATOM 528 N LEU A 33 12.296 -1.499 0.308 1.00 0.00 N ATOM 529 CA LEU A 33 10.984 -0.830 0.488 1.00 0.00 C ATOM 530 C LEU A 33 9.839 -1.889 0.497 1.00 0.00 C ATOM 531 O LEU A 33 8.912 -1.786 1.302 1.00 0.00 O ATOM 532 CB LEU A 33 10.786 0.245 -0.649 1.00 0.00 C ATOM 533 CG LEU A 33 9.816 1.459 -0.371 1.00 0.00 C ATOM 534 CD1 LEU A 33 8.367 1.034 -0.096 1.00 0.00 C ATOM 535 CD2 LEU A 33 10.341 2.363 0.766 1.00 0.00 C ATOM 0 H LEU A 33 12.735 -1.288 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 33 10.956 -0.315 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.766 0.653 -0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 33 10.424 -0.273 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 33 9.803 2.035 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.757 1.919 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.976 0.495 -0.959 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.338 0.386 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.645 3.187 0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.431 1.780 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.318 2.761 0.492 1.00 0.00 H new ATOM 547 N LYS A 34 9.950 -2.914 -0.393 1.00 0.00 N ATOM 548 CA LYS A 34 8.905 -3.949 -0.614 1.00 0.00 C ATOM 549 C LYS A 34 8.497 -4.670 0.694 1.00 0.00 C ATOM 550 O LYS A 34 7.304 -4.785 0.995 1.00 0.00 O ATOM 551 CB LYS A 34 9.387 -4.976 -1.640 1.00 0.00 C ATOM 552 CG LYS A 34 9.422 -4.464 -3.074 1.00 0.00 C ATOM 553 CD LYS A 34 9.922 -5.535 -4.032 1.00 0.00 C ATOM 554 CE LYS A 34 9.932 -5.033 -5.468 1.00 0.00 C ATOM 555 NZ LYS A 34 10.483 -6.047 -6.409 1.00 0.00 N ATOM 0 H LYS A 34 10.774 -3.044 -0.980 1.00 0.00 H new ATOM 0 HA LYS A 34 8.022 -3.433 -0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.387 -5.308 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.737 -5.850 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.424 -4.144 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.069 -3.589 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.928 -5.841 -3.745 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.287 -6.417 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.917 -4.773 -5.768 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.526 -4.121 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.504 -5.653 -7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.449 -6.302 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.882 -6.896 -6.396 1.00 0.00 H new ATOM 569 N GLU A 35 9.506 -5.147 1.459 1.00 0.00 N ATOM 570 CA GLU A 35 9.286 -5.852 2.742 1.00 0.00 C ATOM 571 C GLU A 35 8.675 -4.929 3.813 1.00 0.00 C ATOM 572 O GLU A 35 7.934 -5.390 4.686 1.00 0.00 O ATOM 573 CB GLU A 35 10.601 -6.442 3.257 1.00 0.00 C ATOM 574 CG GLU A 35 11.661 -5.407 3.603 1.00 0.00 C ATOM 575 CD GLU A 35 12.913 -6.059 4.119 1.00 0.00 C ATOM 576 OE1 GLU A 35 12.958 -7.265 4.162 1.00 0.00 O ATOM 577 OE2 GLU A 35 13.867 -5.358 4.364 1.00 0.00 O ATOM 0 H GLU A 35 10.490 -5.055 1.206 1.00 0.00 H new ATOM 0 HA GLU A 35 8.575 -6.655 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.394 -7.042 4.143 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.003 -7.117 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.895 -4.814 2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.270 -4.720 4.354 1.00 0.00 H new ATOM 584 N LYS A 36 8.964 -3.622 3.703 1.00 0.00 N ATOM 585 CA LYS A 36 8.419 -2.594 4.605 1.00 0.00 C ATOM 586 C LYS A 36 6.909 -2.441 4.399 1.00 0.00 C ATOM 587 O LYS A 36 6.147 -2.378 5.361 1.00 0.00 O ATOM 588 CB LYS A 36 9.119 -1.252 4.384 1.00 0.00 C ATOM 589 CG LYS A 36 10.560 -1.206 4.873 1.00 0.00 C ATOM 590 CD LYS A 36 11.167 0.177 4.681 1.00 0.00 C ATOM 591 CE LYS A 36 12.627 0.205 5.108 1.00 0.00 C ATOM 592 NZ LYS A 36 12.787 -0.064 6.563 1.00 0.00 N ATOM 0 H LYS A 36 9.584 -3.248 2.984 1.00 0.00 H new ATOM 0 HA LYS A 36 8.601 -2.915 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.102 -1.018 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.551 -0.472 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.597 -1.478 5.928 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.153 -1.944 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.087 0.469 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.603 0.908 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.186 -0.538 4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.056 1.178 4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.773 0.113 6.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.156 0.562 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.544 -1.056 6.762 1.00 0.00 H new ATOM 606 N LEU A 37 6.502 -2.401 3.121 1.00 0.00 N ATOM 607 CA LEU A 37 5.089 -2.327 2.715 1.00 0.00 C ATOM 608 C LEU A 37 4.315 -3.580 3.173 1.00 0.00 C ATOM 609 O LEU A 37 3.161 -3.475 3.584 1.00 0.00 O ATOM 610 CB LEU A 37 4.983 -2.157 1.195 1.00 0.00 C ATOM 611 CG LEU A 37 5.386 -0.775 0.663 1.00 0.00 C ATOM 612 CD1 LEU A 37 5.500 -0.814 -0.855 1.00 0.00 C ATOM 613 CD2 LEU A 37 4.359 0.259 1.101 1.00 0.00 C ATOM 0 H LEU A 37 7.150 -2.419 2.333 1.00 0.00 H new ATOM 0 HA LEU A 37 4.640 -1.459 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.610 -2.910 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.955 -2.359 0.894 1.00 0.00 H new ATOM 0 HG LEU A 37 6.358 -0.497 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.786 0.171 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.256 -1.544 -1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.539 -1.097 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.646 1.240 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.380 -0.010 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.314 0.289 2.190 1.00 0.00 H new ATOM 625 N LYS A 38 4.967 -4.765 3.086 1.00 0.00 N ATOM 626 CA LYS A 38 4.411 -6.037 3.587 1.00 0.00 C ATOM 627 C LYS A 38 4.133 -5.961 5.093 1.00 0.00 C ATOM 628 O LYS A 38 3.064 -6.377 5.548 1.00 0.00 O ATOM 629 CB LYS A 38 5.362 -7.198 3.287 1.00 0.00 C ATOM 630 CG LYS A 38 5.407 -7.613 1.823 1.00 0.00 C ATOM 631 CD LYS A 38 6.449 -8.695 1.586 1.00 0.00 C ATOM 632 CE LYS A 38 6.053 -10.002 2.257 1.00 0.00 C ATOM 633 NZ LYS A 38 7.015 -11.097 1.956 1.00 0.00 N ATOM 0 H LYS A 38 5.892 -4.861 2.666 1.00 0.00 H new ATOM 0 HA LYS A 38 3.467 -6.214 3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.367 -6.919 3.604 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.066 -8.058 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.426 -7.976 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.634 -6.745 1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.571 -8.856 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.414 -8.364 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.998 -9.854 3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.057 -10.293 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.787 -11.929 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.950 -11.349 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.981 -10.779 2.172 1.00 0.00 H new ATOM 647 N LYS A 39 5.119 -5.429 5.859 1.00 0.00 N ATOM 648 CA LYS A 39 5.002 -5.298 7.329 1.00 0.00 C ATOM 649 C LYS A 39 3.841 -4.348 7.665 1.00 0.00 C ATOM 650 O LYS A 39 2.971 -4.682 8.457 1.00 0.00 O ATOM 651 CB LYS A 39 6.306 -4.786 7.943 1.00 0.00 C ATOM 652 CG LYS A 39 7.438 -5.805 7.956 1.00 0.00 C ATOM 653 CD LYS A 39 8.696 -5.226 8.586 1.00 0.00 C ATOM 654 CE LYS A 39 9.835 -6.235 8.574 1.00 0.00 C ATOM 655 NZ LYS A 39 11.074 -5.681 9.186 1.00 0.00 N ATOM 0 H LYS A 39 6.002 -5.085 5.481 1.00 0.00 H new ATOM 0 HA LYS A 39 4.801 -6.282 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.633 -3.905 7.390 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.110 -4.465 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.126 -6.691 8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.654 -6.125 6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.996 -4.329 8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.486 -4.924 9.612 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.532 -7.131 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.041 -6.538 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.826 -6.399 9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.378 -4.841 8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.885 -5.416 10.174 1.00 0.00 H new ATOM 669 N VAL A 40 3.832 -3.190 6.986 1.00 0.00 N ATOM 670 CA VAL A 40 2.835 -2.122 7.162 1.00 0.00 C ATOM 671 C VAL A 40 1.406 -2.608 6.832 1.00 0.00 C ATOM 672 O VAL A 40 0.486 -2.391 7.619 1.00 0.00 O ATOM 673 CB VAL A 40 3.165 -0.901 6.282 1.00 0.00 C ATOM 674 CG1 VAL A 40 1.989 0.063 6.244 1.00 0.00 C ATOM 675 CG2 VAL A 40 4.413 -0.196 6.794 1.00 0.00 C ATOM 0 H VAL A 40 4.535 -2.965 6.282 1.00 0.00 H new ATOM 0 HA VAL A 40 2.874 -1.834 8.213 1.00 0.00 H new ATOM 0 HB VAL A 40 3.357 -1.251 5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.240 0.919 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.116 -0.444 5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.767 0.406 7.255 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.631 0.664 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.247 0.140 7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.256 -0.886 6.771 1.00 0.00 H new ATOM 685 N LEU A 41 1.247 -3.301 5.691 1.00 0.00 N ATOM 686 CA LEU A 41 -0.048 -3.863 5.260 1.00 0.00 C ATOM 687 C LEU A 41 -0.544 -4.949 6.232 1.00 0.00 C ATOM 688 O LEU A 41 -1.711 -4.950 6.602 1.00 0.00 O ATOM 689 CB LEU A 41 0.068 -4.434 3.841 1.00 0.00 C ATOM 690 CG LEU A 41 0.020 -3.395 2.714 1.00 0.00 C ATOM 691 CD1 LEU A 41 0.466 -4.027 1.402 1.00 0.00 C ATOM 692 CD2 LEU A 41 -1.391 -2.839 2.593 1.00 0.00 C ATOM 0 H LEU A 41 2.011 -3.488 5.041 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.779 -3.055 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.004 -4.987 3.764 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.739 -5.151 3.688 1.00 0.00 H new ATOM 0 HG LEU A 41 0.700 -2.575 2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.429 -3.281 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.486 -4.397 1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.197 -4.856 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.424 -2.101 1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.084 -3.650 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.678 -2.367 3.533 1.00 0.00 H new ATOM 704 N ASN A 42 0.356 -5.860 6.638 1.00 0.00 N ATOM 705 CA ASN A 42 0.045 -6.917 7.623 1.00 0.00 C ATOM 706 C ASN A 42 -0.398 -6.338 8.985 1.00 0.00 C ATOM 707 O ASN A 42 -1.399 -6.790 9.554 1.00 0.00 O ATOM 708 CB ASN A 42 1.228 -7.848 7.815 1.00 0.00 C ATOM 709 CG ASN A 42 1.418 -8.826 6.688 1.00 0.00 C ATOM 710 OD1 ASN A 42 0.489 -9.112 5.925 1.00 0.00 O ATOM 711 ND2 ASN A 42 2.593 -9.400 6.631 1.00 0.00 N ATOM 0 H ASN A 42 1.317 -5.887 6.296 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.792 -7.484 7.216 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.134 -7.252 7.923 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.097 -8.401 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.775 -10.121 5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.326 -9.127 7.285 1.00 0.00 H new ATOM 718 N GLU A 43 0.338 -5.327 9.487 1.00 0.00 N ATOM 719 CA GLU A 43 0.023 -4.663 10.767 1.00 0.00 C ATOM 720 C GLU A 43 -1.333 -3.926 10.682 1.00 0.00 C ATOM 721 O GLU A 43 -2.104 -3.933 11.643 1.00 0.00 O ATOM 722 CB GLU A 43 1.135 -3.684 11.152 1.00 0.00 C ATOM 723 CG GLU A 43 2.428 -4.348 11.604 1.00 0.00 C ATOM 724 CD GLU A 43 3.515 -3.334 11.821 1.00 0.00 C ATOM 725 OE1 GLU A 43 3.285 -2.178 11.560 1.00 0.00 O ATOM 726 OE2 GLU A 43 4.539 -3.695 12.353 1.00 0.00 O ATOM 0 H GLU A 43 1.163 -4.950 9.020 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.049 -5.430 11.538 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.350 -3.042 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.773 -3.038 11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.253 -4.900 12.528 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.748 -5.073 10.856 1.00 0.00 H new ATOM 733 N ARG A 44 -1.608 -3.283 9.526 1.00 0.00 N ATOM 734 CA ARG A 44 -2.896 -2.583 9.287 1.00 0.00 C ATOM 735 C ARG A 44 -4.079 -3.569 9.231 1.00 0.00 C ATOM 736 O ARG A 44 -5.155 -3.286 9.763 1.00 0.00 O ATOM 737 CB ARG A 44 -2.850 -1.711 8.040 1.00 0.00 C ATOM 738 CG ARG A 44 -4.115 -0.907 7.777 1.00 0.00 C ATOM 739 CD ARG A 44 -4.254 0.308 8.619 1.00 0.00 C ATOM 740 NE ARG A 44 -4.950 0.091 9.878 1.00 0.00 N ATOM 741 CZ ARG A 44 -5.158 1.040 10.811 1.00 0.00 C ATOM 742 NH1 ARG A 44 -4.696 2.261 10.650 1.00 0.00 N ATOM 743 NH2 ARG A 44 -5.820 0.707 11.905 1.00 0.00 N ATOM 0 H ARG A 44 -0.957 -3.232 8.742 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.055 -1.922 10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.010 -1.022 8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.654 -2.346 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.132 -0.611 6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.980 -1.549 7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.261 0.704 8.831 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.787 1.070 8.050 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.306 -0.846 10.068 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.171 2.501 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.862 2.968 11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.158 -0.248 12.026 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.993 1.405 12.629 1.00 0.00 H new ATOM 757 N MET A 45 -3.867 -4.717 8.576 1.00 0.00 N ATOM 758 CA MET A 45 -4.941 -5.690 8.301 1.00 0.00 C ATOM 759 C MET A 45 -5.134 -6.692 9.446 1.00 0.00 C ATOM 760 O MET A 45 -6.167 -7.349 9.495 1.00 0.00 O ATOM 761 CB MET A 45 -4.644 -6.439 7.003 1.00 0.00 C ATOM 762 CG MET A 45 -4.594 -5.556 5.764 1.00 0.00 C ATOM 763 SD MET A 45 -6.066 -4.529 5.580 1.00 0.00 S ATOM 764 CE MET A 45 -7.311 -5.777 5.268 1.00 0.00 C ATOM 0 H MET A 45 -2.953 -5.000 8.222 1.00 0.00 H new ATOM 0 HA MET A 45 -5.869 -5.126 8.204 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.689 -6.954 7.106 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.406 -7.205 6.858 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.713 -4.916 5.815 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.481 -6.184 4.880 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.286 -5.301 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.070 -6.309 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.335 -6.482 6.099 1.00 0.00 H new ATOM 774 N ASP A 46 -4.164 -6.778 10.376 1.00 0.00 N ATOM 775 CA ASP A 46 -4.285 -7.636 11.582 1.00 0.00 C ATOM 776 C ASP A 46 -5.585 -7.311 12.395 1.00 0.00 C ATOM 777 O ASP A 46 -6.402 -8.220 12.609 1.00 0.00 O ATOM 778 CB ASP A 46 -3.049 -7.473 12.470 1.00 0.00 C ATOM 779 CG ASP A 46 -1.834 -8.266 12.011 1.00 0.00 C ATOM 780 OD1 ASP A 46 -1.988 -9.112 11.162 1.00 0.00 O ATOM 781 OD2 ASP A 46 -0.743 -7.918 12.393 1.00 0.00 O ATOM 0 H ASP A 46 -3.284 -6.265 10.320 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.354 -8.672 11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.783 -6.417 12.511 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.304 -7.777 13.485 1.00 0.00 H new ATOM 786 N PRO A 47 -5.843 -6.013 12.838 1.00 0.00 N ATOM 787 CA PRO A 47 -7.101 -5.659 13.558 1.00 0.00 C ATOM 788 C PRO A 47 -8.354 -5.775 12.659 1.00 0.00 C ATOM 789 O PRO A 47 -9.454 -6.002 13.161 1.00 0.00 O ATOM 790 CB PRO A 47 -6.866 -4.216 14.019 1.00 0.00 C ATOM 791 CG PRO A 47 -5.866 -3.676 13.054 1.00 0.00 C ATOM 792 CD PRO A 47 -4.949 -4.829 12.742 1.00 0.00 C ATOM 0 HA PRO A 47 -7.303 -6.340 14.385 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.790 -3.637 13.999 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.490 -4.182 15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.352 -3.305 12.151 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.314 -2.841 13.486 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.510 -4.736 11.749 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.124 -4.890 13.451 1.00 0.00 H new ATOM 800 N ILE A 48 -8.160 -5.651 11.330 1.00 0.00 N ATOM 801 CA ILE A 48 -9.243 -5.708 10.321 1.00 0.00 C ATOM 802 C ILE A 48 -9.854 -7.135 10.243 1.00 0.00 C ATOM 803 O ILE A 48 -11.066 -7.304 10.026 1.00 0.00 O ATOM 804 CB ILE A 48 -8.738 -5.294 8.927 1.00 0.00 C ATOM 805 CG1 ILE A 48 -8.202 -3.860 8.957 1.00 0.00 C ATOM 806 CG2 ILE A 48 -9.849 -5.429 7.898 1.00 0.00 C ATOM 807 CD1 ILE A 48 -9.246 -2.826 9.314 1.00 0.00 C ATOM 0 H ILE A 48 -7.237 -5.507 10.920 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.012 -5.003 10.638 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.923 -5.959 8.642 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.386 -3.802 9.677 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.783 -3.618 7.980 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -9.475 -5.132 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.186 -6.465 7.860 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -10.684 -4.786 8.178 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -8.791 -1.835 9.315 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.052 -2.855 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -9.648 -3.042 10.304 1.00 0.00 H new ATOM 819 N LYS A 49 -8.996 -8.148 10.455 1.00 0.00 N ATOM 820 CA LYS A 49 -9.400 -9.567 10.521 1.00 0.00 C ATOM 821 C LYS A 49 -10.203 -9.828 11.811 1.00 0.00 C ATOM 822 O LYS A 49 -11.174 -10.596 11.814 1.00 0.00 O ATOM 823 CB LYS A 49 -8.179 -10.486 10.459 1.00 0.00 C ATOM 824 CG LYS A 49 -7.494 -10.530 9.100 1.00 0.00 C ATOM 825 CD LYS A 49 -6.297 -11.469 9.113 1.00 0.00 C ATOM 826 CE LYS A 49 -5.595 -11.491 7.764 1.00 0.00 C ATOM 827 NZ LYS A 49 -4.413 -12.396 7.767 1.00 0.00 N ATOM 0 H LYS A 49 -7.995 -8.006 10.587 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.031 -9.785 9.660 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.456 -10.160 11.207 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.485 -11.496 10.731 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.206 -10.856 8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.169 -9.527 8.822 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.595 -11.155 9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.625 -12.476 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.297 -11.813 6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.278 -10.481 7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.963 -12.382 6.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.731 -12.074 8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.718 -13.365 7.990 1.00 0.00 H new ATOM 841 N LYS A 50 -9.758 -9.172 12.905 1.00 0.00 N ATOM 842 CA LYS A 50 -10.453 -9.183 14.207 1.00 0.00 C ATOM 843 C LYS A 50 -11.818 -8.470 14.102 1.00 0.00 C ATOM 844 O LYS A 50 -12.768 -8.856 14.777 1.00 0.00 O ATOM 845 CB LYS A 50 -9.590 -8.519 15.282 1.00 0.00 C ATOM 846 CG LYS A 50 -8.303 -9.265 15.604 1.00 0.00 C ATOM 847 CD LYS A 50 -7.498 -8.544 16.675 1.00 0.00 C ATOM 848 CE LYS A 50 -6.142 -9.201 16.887 1.00 0.00 C ATOM 849 NZ LYS A 50 -5.335 -8.492 17.918 1.00 0.00 N ATOM 0 H LYS A 50 -8.902 -8.618 12.908 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.626 -10.221 14.492 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.339 -7.509 14.957 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.178 -8.423 16.195 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.540 -10.274 15.942 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.702 -9.365 14.700 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.358 -7.502 16.387 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.054 -8.544 17.612 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.285 -10.239 17.189 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.595 -9.215 15.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.419 -8.971 18.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.176 -7.509 17.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.845 -8.500 18.824 1.00 0.00 H new ATOM 863 N LEU A 51 -11.913 -7.450 13.223 1.00 0.00 N ATOM 864 CA LEU A 51 -13.173 -6.698 13.004 1.00 0.00 C ATOM 865 C LEU A 51 -14.129 -7.544 12.148 1.00 0.00 C ATOM 866 O LEU A 51 -15.355 -7.404 12.236 1.00 0.00 O ATOM 867 CB LEU A 51 -12.896 -5.348 12.331 1.00 0.00 C ATOM 868 CG LEU A 51 -12.165 -4.321 13.204 1.00 0.00 C ATOM 869 CD1 LEU A 51 -11.811 -3.092 12.378 1.00 0.00 C ATOM 870 CD2 LEU A 51 -13.045 -3.940 14.386 1.00 0.00 C ATOM 0 H LEU A 51 -11.133 -7.126 12.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.637 -6.496 13.969 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.305 -5.523 11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.845 -4.918 12.010 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.240 -4.757 13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.292 -2.368 13.007 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.164 -3.384 11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.723 -2.643 11.985 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.525 -3.210 15.006 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -13.977 -3.508 14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -13.264 -4.829 14.978 1.00 0.00 H new ATOM 882 N GLY A 52 -13.539 -8.438 11.335 1.00 0.00 N ATOM 883 CA GLY A 52 -14.292 -9.439 10.586 1.00 0.00 C ATOM 884 C GLY A 52 -14.807 -8.944 9.250 1.00 0.00 C ATOM 885 O GLY A 52 -15.904 -9.314 8.834 1.00 0.00 O ATOM 0 H GLY A 52 -12.531 -8.481 11.184 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.657 -10.309 10.420 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.136 -9.772 11.190 1.00 0.00 H new ATOM 889 N CYS A 53 -14.008 -8.126 8.564 1.00 0.00 N ATOM 890 CA CYS A 53 -14.356 -7.623 7.230 1.00 0.00 C ATOM 891 C CYS A 53 -13.897 -8.600 6.133 1.00 0.00 C ATOM 892 O CYS A 53 -12.702 -8.697 5.843 1.00 0.00 O ATOM 893 CB CYS A 53 -13.763 -6.225 7.033 1.00 0.00 C ATOM 894 SG CYS A 53 -14.595 -4.968 8.046 1.00 0.00 S ATOM 0 H CYS A 53 -13.108 -7.794 8.912 1.00 0.00 H new ATOM 0 HA CYS A 53 -15.440 -7.547 7.151 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -12.702 -6.245 7.283 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -13.837 -5.947 5.982 1.00 0.00 H new ATOM 899 N LYS A 54 -14.878 -9.347 5.577 1.00 0.00 N ATOM 900 CA LYS A 54 -14.679 -10.331 4.490 1.00 0.00 C ATOM 901 C LYS A 54 -13.925 -9.676 3.318 1.00 0.00 C ATOM 902 O LYS A 54 -12.863 -10.149 2.890 1.00 0.00 O ATOM 903 CB LYS A 54 -16.018 -10.896 4.014 1.00 0.00 C ATOM 904 CG LYS A 54 -15.904 -11.942 2.913 1.00 0.00 C ATOM 905 CD LYS A 54 -17.268 -12.500 2.537 1.00 0.00 C ATOM 906 CE LYS A 54 -17.159 -13.518 1.411 1.00 0.00 C ATOM 907 NZ LYS A 54 -18.481 -14.103 1.059 1.00 0.00 N ATOM 0 H LYS A 54 -15.850 -9.281 5.878 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.083 -11.157 4.877 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.535 -11.338 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.638 -10.075 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.435 -11.499 2.034 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.256 -12.753 3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.725 -12.967 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.925 -11.685 2.231 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.728 -13.041 0.531 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.477 -14.315 1.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -18.362 -14.791 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -18.882 -14.581 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.125 -13.346 0.751 1.00 0.00 H new ATOM 921 N ARG A 55 -14.507 -8.570 2.822 1.00 0.00 N ATOM 922 CA ARG A 55 -13.930 -7.748 1.748 1.00 0.00 C ATOM 923 C ARG A 55 -13.699 -6.324 2.268 1.00 0.00 C ATOM 924 O ARG A 55 -14.472 -5.814 3.090 1.00 0.00 O ATOM 925 CB ARG A 55 -14.771 -7.761 0.480 1.00 0.00 C ATOM 926 CG ARG A 55 -14.834 -9.103 -0.231 1.00 0.00 C ATOM 927 CD ARG A 55 -15.747 -9.132 -1.403 1.00 0.00 C ATOM 928 NE ARG A 55 -17.161 -9.078 -1.068 1.00 0.00 N ATOM 929 CZ ARG A 55 -18.164 -9.148 -1.965 1.00 0.00 C ATOM 930 NH1 ARG A 55 -17.915 -9.237 -3.253 1.00 0.00 N ATOM 931 NH2 ARG A 55 -19.406 -9.100 -1.518 1.00 0.00 N ATOM 0 H ARG A 55 -15.403 -8.219 3.161 1.00 0.00 H new ATOM 0 HA ARG A 55 -12.972 -8.183 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.785 -7.451 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.372 -7.018 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.831 -9.374 -0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.152 -9.864 0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.509 -8.291 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.556 -10.041 -1.974 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.411 -8.980 -0.084 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.951 -9.254 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.686 -9.289 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.585 -9.012 -0.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.186 -9.151 -2.173 1.00 0.00 H new ATOM 945 N VAL A 56 -12.614 -5.707 1.785 1.00 0.00 N ATOM 946 CA VAL A 56 -12.159 -4.385 2.225 1.00 0.00 C ATOM 947 C VAL A 56 -11.794 -3.541 0.996 1.00 0.00 C ATOM 948 O VAL A 56 -11.448 -4.089 -0.058 1.00 0.00 O ATOM 949 CB VAL A 56 -10.945 -4.478 3.169 1.00 0.00 C ATOM 950 CG1 VAL A 56 -11.327 -5.193 4.457 1.00 0.00 C ATOM 951 CG2 VAL A 56 -9.792 -5.195 2.485 1.00 0.00 C ATOM 0 H VAL A 56 -12.019 -6.120 1.066 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.972 -3.916 2.780 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.623 -3.467 3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.458 -5.250 5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.123 -4.641 4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.674 -6.200 4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.943 -5.252 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.103 -6.202 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.502 -4.646 1.589 1.00 0.00 H new ATOM 961 N ARG A 57 -11.917 -2.216 1.121 1.00 0.00 N ATOM 962 CA ARG A 57 -11.429 -1.263 0.116 1.00 0.00 C ATOM 963 C ARG A 57 -10.342 -0.405 0.765 1.00 0.00 C ATOM 964 O ARG A 57 -10.568 0.205 1.816 1.00 0.00 O ATOM 965 CB ARG A 57 -12.537 -0.422 -0.501 1.00 0.00 C ATOM 966 CG ARG A 57 -12.064 0.639 -1.483 1.00 0.00 C ATOM 967 CD ARG A 57 -13.160 1.402 -2.134 1.00 0.00 C ATOM 968 NE ARG A 57 -13.958 0.627 -3.071 1.00 0.00 N ATOM 969 CZ ARG A 57 -15.151 1.015 -3.561 1.00 0.00 C ATOM 970 NH1 ARG A 57 -15.706 2.144 -3.180 1.00 0.00 N ATOM 971 NH2 ARG A 57 -15.763 0.216 -4.420 1.00 0.00 N ATOM 0 H ARG A 57 -12.360 -1.771 1.925 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.011 -1.818 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.234 -1.085 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.092 0.067 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.412 1.338 -0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -11.462 0.160 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.816 1.802 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.730 2.254 -2.660 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.589 -0.273 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.233 2.742 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.610 2.422 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.330 -0.666 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.668 0.482 -4.809 1.00 0.00 H new ATOM 985 N ILE A 58 -9.158 -0.407 0.149 1.00 0.00 N ATOM 986 CA ILE A 58 -7.959 0.262 0.670 1.00 0.00 C ATOM 987 C ILE A 58 -7.484 1.284 -0.379 1.00 0.00 C ATOM 988 O ILE A 58 -7.366 0.951 -1.557 1.00 0.00 O ATOM 989 CB ILE A 58 -6.826 -0.731 0.986 1.00 0.00 C ATOM 990 CG1 ILE A 58 -7.291 -1.758 2.023 1.00 0.00 C ATOM 991 CG2 ILE A 58 -5.593 0.009 1.481 1.00 0.00 C ATOM 992 CD1 ILE A 58 -6.350 -2.929 2.187 1.00 0.00 C ATOM 0 H ILE A 58 -9.000 -0.881 -0.741 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.216 0.755 1.607 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.563 -1.261 0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.408 -1.261 2.986 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.274 -2.131 1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.802 -0.708 1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.252 0.703 0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.840 0.564 2.386 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.747 -3.612 2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.251 -3.452 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.372 -2.568 2.506 1.00 0.00 H new ATOM 1004 N SER A 59 -7.243 2.521 0.048 1.00 0.00 N ATOM 1005 CA SER A 59 -6.626 3.551 -0.783 1.00 0.00 C ATOM 1006 C SER A 59 -5.280 3.926 -0.146 1.00 0.00 C ATOM 1007 O SER A 59 -5.213 4.219 1.053 1.00 0.00 O ATOM 1008 CB SER A 59 -7.533 4.760 -0.910 1.00 0.00 C ATOM 1009 OG SER A 59 -8.665 4.490 -1.691 1.00 0.00 O ATOM 0 H SER A 59 -7.473 2.839 0.989 1.00 0.00 H new ATOM 0 HA SER A 59 -6.464 3.174 -1.793 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.847 5.083 0.083 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.976 5.586 -1.353 1.00 0.00 H new ATOM 0 HG SER A 59 -9.223 5.293 -1.747 1.00 0.00 H new ATOM 1015 N ILE A 60 -4.210 3.842 -0.948 1.00 0.00 N ATOM 1016 CA ILE A 60 -2.843 4.140 -0.506 1.00 0.00 C ATOM 1017 C ILE A 60 -2.276 5.286 -1.359 1.00 0.00 C ATOM 1018 O ILE A 60 -2.295 5.223 -2.595 1.00 0.00 O ATOM 1019 CB ILE A 60 -1.921 2.910 -0.611 1.00 0.00 C ATOM 1020 CG1 ILE A 60 -2.436 1.779 0.283 1.00 0.00 C ATOM 1021 CG2 ILE A 60 -0.495 3.280 -0.237 1.00 0.00 C ATOM 1022 CD1 ILE A 60 -1.676 0.482 0.125 1.00 0.00 C ATOM 0 H ILE A 60 -4.270 3.564 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.883 4.431 0.544 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.925 2.562 -1.644 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.380 2.097 1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.488 1.602 0.060 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.142 2.399 -0.317 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.131 4.054 -0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.472 3.653 0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.099 -0.271 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.753 0.139 -0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.628 0.642 0.377 1.00 0.00 H new ATOM 1034 N ARG A 61 -1.817 6.351 -0.688 1.00 0.00 N ATOM 1035 CA ARG A 61 -1.218 7.518 -1.348 1.00 0.00 C ATOM 1036 C ARG A 61 0.286 7.531 -1.044 1.00 0.00 C ATOM 1037 O ARG A 61 0.685 7.426 0.122 1.00 0.00 O ATOM 1038 CB ARG A 61 -1.893 8.827 -0.967 1.00 0.00 C ATOM 1039 CG ARG A 61 -1.490 10.024 -1.813 1.00 0.00 C ATOM 1040 CD ARG A 61 -2.203 11.282 -1.472 1.00 0.00 C ATOM 1041 NE ARG A 61 -2.012 12.361 -2.429 1.00 0.00 N ATOM 1042 CZ ARG A 61 -2.416 13.633 -2.239 1.00 0.00 C ATOM 1043 NH1 ARG A 61 -3.064 13.982 -1.150 1.00 0.00 N ATOM 1044 NH2 ARG A 61 -2.164 14.516 -3.189 1.00 0.00 N ATOM 0 H ARG A 61 -1.851 6.427 0.329 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.372 7.429 -2.423 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.973 8.697 -1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.667 9.045 0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.418 10.187 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.672 9.790 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.269 11.070 -1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.869 11.620 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.539 12.139 -3.305 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.268 13.286 -0.433 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.363 14.949 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.676 14.227 -4.037 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.457 15.486 -3.074 1.00 0.00 H new ATOM 1058 N VAL A 62 1.100 7.645 -2.102 1.00 0.00 N ATOM 1059 CA VAL A 62 2.566 7.603 -1.997 1.00 0.00 C ATOM 1060 C VAL A 62 3.092 9.027 -2.238 1.00 0.00 C ATOM 1061 O VAL A 62 2.560 9.758 -3.080 1.00 0.00 O ATOM 1062 CB VAL A 62 3.201 6.628 -3.006 1.00 0.00 C ATOM 1063 CG1 VAL A 62 3.091 7.179 -4.420 1.00 0.00 C ATOM 1064 CG2 VAL A 62 4.657 6.367 -2.650 1.00 0.00 C ATOM 0 H VAL A 62 0.761 7.769 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 62 2.838 7.242 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 62 2.659 5.683 -2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.545 6.478 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.041 7.318 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.609 8.136 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.090 5.676 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.210 7.306 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.715 5.932 -1.652 1.00 0.00 H new ATOM 1074 N LYS A 63 4.098 9.455 -1.473 1.00 0.00 N ATOM 1075 CA LYS A 63 4.600 10.829 -1.566 1.00 0.00 C ATOM 1076 C LYS A 63 5.722 10.829 -2.614 1.00 0.00 C ATOM 1077 O LYS A 63 6.630 9.982 -2.570 1.00 0.00 O ATOM 1078 CB LYS A 63 5.105 11.338 -0.215 1.00 0.00 C ATOM 1079 CG LYS A 63 5.589 12.781 -0.228 1.00 0.00 C ATOM 1080 CD LYS A 63 6.035 13.227 1.157 1.00 0.00 C ATOM 1081 CE LYS A 63 6.531 14.666 1.143 1.00 0.00 C ATOM 1082 NZ LYS A 63 6.934 15.129 2.498 1.00 0.00 N ATOM 0 H LYS A 63 4.579 8.875 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 63 3.797 11.505 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.304 11.243 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.921 10.697 0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.417 12.883 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.790 13.432 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.204 13.134 1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.828 12.570 1.515 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.379 14.751 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.747 15.316 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.265 16.113 2.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.118 15.073 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.700 14.525 2.858 1.00 0.00 H new ATOM 1096 N HIS A 64 5.621 11.774 -3.564 1.00 0.00 N ATOM 1097 CA HIS A 64 6.575 11.917 -4.666 1.00 0.00 C ATOM 1098 C HIS A 64 7.511 13.090 -4.365 1.00 0.00 C ATOM 1099 O HIS A 64 7.068 14.103 -3.804 1.00 0.00 O ATOM 1100 CB HIS A 64 5.857 12.132 -6.001 1.00 0.00 C ATOM 1101 CG HIS A 64 4.932 11.014 -6.373 1.00 0.00 C ATOM 1102 ND1 HIS A 64 5.382 9.821 -6.899 1.00 0.00 N ATOM 1103 CD2 HIS A 64 3.585 10.909 -6.296 1.00 0.00 C ATOM 1104 CE1 HIS A 64 4.349 9.028 -7.128 1.00 0.00 C ATOM 1105 NE2 HIS A 64 3.249 9.665 -6.772 1.00 0.00 N ATOM 0 H HIS A 64 4.869 12.462 -3.585 1.00 0.00 H new ATOM 0 HA HIS A 64 7.153 10.997 -4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.289 13.061 -5.953 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.601 12.254 -6.788 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.903 11.662 -5.929 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.397 8.029 -7.537 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.302 9.293 -6.840 1.00 0.00 H new ATOM 1113 N SER A 65 8.786 12.944 -4.747 1.00 0.00 N ATOM 1114 CA SER A 65 9.821 13.951 -4.491 1.00 0.00 C ATOM 1115 C SER A 65 9.447 15.308 -5.143 1.00 0.00 C ATOM 1116 O SER A 65 9.609 16.368 -4.525 1.00 0.00 O ATOM 1117 CB SER A 65 11.160 13.461 -5.007 1.00 0.00 C ATOM 1118 OG SER A 65 11.618 12.341 -4.299 1.00 0.00 O ATOM 0 H SER A 65 9.129 12.122 -5.244 1.00 0.00 H new ATOM 0 HA SER A 65 9.894 14.106 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.071 13.210 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.894 14.263 -4.930 1.00 0.00 H new ATOM 0 HG SER A 65 12.482 12.055 -4.663 1.00 0.00 H new ATOM 1124 N ASP A 66 8.883 15.249 -6.363 1.00 0.00 N ATOM 1125 CA ASP A 66 8.518 16.453 -7.159 1.00 0.00 C ATOM 1126 C ASP A 66 7.395 16.119 -8.171 1.00 0.00 C ATOM 1127 O ASP A 66 7.079 14.948 -8.368 1.00 0.00 O ATOM 1128 CB ASP A 66 9.740 17.009 -7.896 1.00 0.00 C ATOM 1129 CG ASP A 66 9.636 18.482 -8.264 1.00 0.00 C ATOM 1130 OD1 ASP A 66 8.638 19.085 -7.943 1.00 0.00 O ATOM 1131 OD2 ASP A 66 10.611 19.031 -8.718 1.00 0.00 O ATOM 0 H ASP A 66 8.664 14.370 -6.832 1.00 0.00 H new ATOM 0 HA ASP A 66 8.153 17.214 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.622 16.864 -7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.895 16.430 -8.806 1.00 0.00 H new ATOM 1136 N ALA A 67 6.824 17.178 -8.797 1.00 0.00 N ATOM 1137 CA ALA A 67 5.748 17.097 -9.808 1.00 0.00 C ATOM 1138 C ALA A 67 6.152 16.271 -11.050 1.00 0.00 C ATOM 1139 O ALA A 67 5.396 15.402 -11.497 1.00 0.00 O ATOM 1140 CB ALA A 67 5.319 18.520 -10.214 1.00 0.00 C ATOM 0 H ALA A 67 7.110 18.138 -8.605 1.00 0.00 H new ATOM 0 HA ALA A 67 4.907 16.572 -9.354 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.526 18.462 -10.959 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.954 19.054 -9.337 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.173 19.052 -10.634 1.00 0.00 H new ATOM 1146 N ALA A 68 7.341 16.553 -11.604 1.00 0.00 N ATOM 1147 CA ALA A 68 7.880 15.805 -12.765 1.00 0.00 C ATOM 1148 C ALA A 68 8.166 14.337 -12.394 1.00 0.00 C ATOM 1149 O ALA A 68 7.978 13.426 -13.211 1.00 0.00 O ATOM 1150 CB ALA A 68 9.151 16.485 -13.298 1.00 0.00 C ATOM 0 H ALA A 68 7.955 17.296 -11.269 1.00 0.00 H new ATOM 0 HA ALA A 68 7.126 15.812 -13.552 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.534 15.923 -14.150 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.916 17.502 -13.610 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.906 16.512 -12.512 1.00 0.00 H new ATOM 1156 N GLU A 69 8.615 14.136 -11.138 1.00 0.00 N ATOM 1157 CA GLU A 69 8.893 12.800 -10.571 1.00 0.00 C ATOM 1158 C GLU A 69 7.625 11.938 -10.430 1.00 0.00 C ATOM 1159 O GLU A 69 7.743 10.720 -10.416 1.00 0.00 O ATOM 1160 CB GLU A 69 9.574 12.939 -9.208 1.00 0.00 C ATOM 1161 CG GLU A 69 10.988 13.498 -9.265 1.00 0.00 C ATOM 1162 CD GLU A 69 11.887 12.623 -10.094 1.00 0.00 C ATOM 1163 OE1 GLU A 69 11.945 11.445 -9.832 1.00 0.00 O ATOM 1164 OE2 GLU A 69 12.429 13.108 -11.059 1.00 0.00 O ATOM 0 H GLU A 69 8.796 14.899 -10.486 1.00 0.00 H new ATOM 0 HA GLU A 69 9.556 12.291 -11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.966 13.586 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.602 11.961 -8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.967 14.504 -9.685 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.389 13.582 -8.255 1.00 0.00 H new ATOM 1171 N GLU A 70 6.435 12.567 -10.297 1.00 0.00 N ATOM 1172 CA GLU A 70 5.168 11.846 -10.016 1.00 0.00 C ATOM 1173 C GLU A 70 4.909 10.713 -11.022 1.00 0.00 C ATOM 1174 O GLU A 70 4.519 9.619 -10.630 1.00 0.00 O ATOM 1175 CB GLU A 70 3.987 12.820 -10.023 1.00 0.00 C ATOM 1176 CG GLU A 70 3.948 13.770 -8.834 1.00 0.00 C ATOM 1177 CD GLU A 70 2.814 14.749 -8.954 1.00 0.00 C ATOM 1178 OE1 GLU A 70 2.142 14.730 -9.957 1.00 0.00 O ATOM 1179 OE2 GLU A 70 2.547 15.439 -7.998 1.00 0.00 O ATOM 0 H GLU A 70 6.324 13.578 -10.380 1.00 0.00 H new ATOM 0 HA GLU A 70 5.269 11.398 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.022 13.407 -10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.060 12.247 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.841 13.198 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.892 14.310 -8.766 1.00 0.00 H new ATOM 1186 N LYS A 71 5.179 10.992 -12.304 1.00 0.00 N ATOM 1187 CA LYS A 71 4.889 10.065 -13.418 1.00 0.00 C ATOM 1188 C LYS A 71 5.777 8.811 -13.343 1.00 0.00 C ATOM 1189 O LYS A 71 5.275 7.678 -13.384 1.00 0.00 O ATOM 1190 CB LYS A 71 5.083 10.765 -14.764 1.00 0.00 C ATOM 1191 CG LYS A 71 4.048 11.839 -15.070 1.00 0.00 C ATOM 1192 CD LYS A 71 4.310 12.493 -16.418 1.00 0.00 C ATOM 1193 CE LYS A 71 3.308 13.602 -16.700 1.00 0.00 C ATOM 1194 NZ LYS A 71 3.562 14.262 -18.009 1.00 0.00 N ATOM 0 H LYS A 71 5.606 11.868 -12.604 1.00 0.00 H new ATOM 0 HA LYS A 71 3.848 9.753 -13.328 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.075 11.217 -14.785 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.057 10.017 -15.556 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.051 11.398 -15.065 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.065 12.597 -14.287 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.321 12.900 -16.436 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.255 11.742 -17.206 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.299 13.190 -16.691 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.356 14.345 -15.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.857 15.011 -18.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.515 14.678 -18.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.491 13.559 -18.772 1.00 0.00 H new ATOM 1208 N LYS A 72 7.093 9.042 -13.206 1.00 0.00 N ATOM 1209 CA LYS A 72 8.103 7.974 -13.188 1.00 0.00 C ATOM 1210 C LYS A 72 7.985 7.141 -11.899 1.00 0.00 C ATOM 1211 O LYS A 72 7.932 5.907 -11.943 1.00 0.00 O ATOM 1212 CB LYS A 72 9.510 8.560 -13.314 1.00 0.00 C ATOM 1213 CG LYS A 72 10.622 7.521 -13.371 1.00 0.00 C ATOM 1214 CD LYS A 72 11.973 8.170 -13.632 1.00 0.00 C ATOM 1215 CE LYS A 72 13.090 7.137 -13.655 1.00 0.00 C ATOM 1216 NZ LYS A 72 14.423 7.763 -13.860 1.00 0.00 N ATOM 0 H LYS A 72 7.486 9.978 -13.104 1.00 0.00 H new ATOM 0 HA LYS A 72 7.923 7.321 -14.042 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.556 9.173 -14.214 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.692 9.222 -12.468 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.656 6.970 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.406 6.797 -14.157 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.946 8.700 -14.584 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.177 8.912 -12.860 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.090 6.582 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.901 6.417 -14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.155 7.025 -13.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.432 8.271 -14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.615 8.432 -13.087 1.00 0.00 H new ATOM 1230 N GLU A 73 7.872 7.845 -10.767 1.00 0.00 N ATOM 1231 CA GLU A 73 7.788 7.231 -9.438 1.00 0.00 C ATOM 1232 C GLU A 73 6.465 6.497 -9.191 1.00 0.00 C ATOM 1233 O GLU A 73 6.471 5.519 -8.465 1.00 0.00 O ATOM 1234 CB GLU A 73 7.993 8.298 -8.359 1.00 0.00 C ATOM 1235 CG GLU A 73 9.403 8.867 -8.298 1.00 0.00 C ATOM 1236 CD GLU A 73 10.418 7.786 -8.049 1.00 0.00 C ATOM 1237 OE1 GLU A 73 10.231 7.021 -7.135 1.00 0.00 O ATOM 1238 OE2 GLU A 73 11.323 7.656 -8.840 1.00 0.00 O ATOM 0 H GLU A 73 7.836 8.864 -10.748 1.00 0.00 H new ATOM 0 HA GLU A 73 8.578 6.482 -9.390 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.292 9.114 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.745 7.868 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.633 9.376 -9.234 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.462 9.614 -7.506 1.00 0.00 H new ATOM 1245 N ALA A 74 5.340 6.953 -9.771 1.00 0.00 N ATOM 1246 CA ALA A 74 4.050 6.240 -9.613 1.00 0.00 C ATOM 1247 C ALA A 74 4.148 4.852 -10.257 1.00 0.00 C ATOM 1248 O ALA A 74 3.719 3.863 -9.673 1.00 0.00 O ATOM 1249 CB ALA A 74 2.885 7.039 -10.216 1.00 0.00 C ATOM 0 H ALA A 74 5.292 7.796 -10.344 1.00 0.00 H new ATOM 0 HA ALA A 74 3.846 6.129 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.956 6.485 -10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.808 8.004 -9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.063 7.195 -11.280 1.00 0.00 H new ATOM 1255 N LYS A 75 4.718 4.815 -11.479 1.00 0.00 N ATOM 1256 CA LYS A 75 4.993 3.570 -12.230 1.00 0.00 C ATOM 1257 C LYS A 75 5.999 2.659 -11.480 1.00 0.00 C ATOM 1258 O LYS A 75 5.822 1.432 -11.423 1.00 0.00 O ATOM 1259 CB LYS A 75 5.525 3.898 -13.626 1.00 0.00 C ATOM 1260 CG LYS A 75 4.489 4.496 -14.569 1.00 0.00 C ATOM 1261 CD LYS A 75 5.083 4.770 -15.942 1.00 0.00 C ATOM 1262 CE LYS A 75 4.058 5.399 -16.875 1.00 0.00 C ATOM 1263 NZ LYS A 75 4.633 5.692 -18.216 1.00 0.00 N ATOM 0 H LYS A 75 5.004 5.657 -11.979 1.00 0.00 H new ATOM 0 HA LYS A 75 4.052 3.027 -12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.357 4.596 -13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.923 2.987 -14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.645 3.813 -14.665 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.102 5.423 -14.146 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.942 5.433 -15.843 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.448 3.839 -16.375 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.206 4.727 -16.984 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.682 6.321 -16.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.903 6.119 -18.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.430 6.353 -18.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.969 4.809 -18.650 1.00 0.00 H new ATOM 1277 N LYS A 76 7.040 3.276 -10.889 1.00 0.00 N ATOM 1278 CA LYS A 76 8.056 2.558 -10.082 1.00 0.00 C ATOM 1279 C LYS A 76 7.415 1.936 -8.834 1.00 0.00 C ATOM 1280 O LYS A 76 7.588 0.742 -8.567 1.00 0.00 O ATOM 1281 CB LYS A 76 9.193 3.495 -9.675 1.00 0.00 C ATOM 1282 CG LYS A 76 10.309 2.826 -8.884 1.00 0.00 C ATOM 1283 CD LYS A 76 11.347 3.839 -8.424 1.00 0.00 C ATOM 1284 CE LYS A 76 12.214 4.310 -9.581 1.00 0.00 C ATOM 1285 NZ LYS A 76 13.103 5.436 -9.188 1.00 0.00 N ATOM 0 H LYS A 76 7.204 4.281 -10.954 1.00 0.00 H new ATOM 0 HA LYS A 76 8.470 1.760 -10.699 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.619 3.941 -10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.780 4.309 -9.080 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.888 2.315 -8.018 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.789 2.066 -9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.847 4.695 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.976 3.393 -7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.820 3.479 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.577 4.623 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.803 5.604 -9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.534 6.295 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.595 5.197 -8.303 1.00 0.00 H new ATOM 1299 N PHE A 77 6.630 2.747 -8.105 1.00 0.00 N ATOM 1300 CA PHE A 77 5.959 2.321 -6.862 1.00 0.00 C ATOM 1301 C PHE A 77 4.844 1.316 -7.192 1.00 0.00 C ATOM 1302 O PHE A 77 4.533 0.453 -6.386 1.00 0.00 O ATOM 1303 CB PHE A 77 5.387 3.524 -6.109 1.00 0.00 C ATOM 1304 CG PHE A 77 5.114 3.256 -4.657 1.00 0.00 C ATOM 1305 CD1 PHE A 77 6.158 3.104 -3.756 1.00 0.00 C ATOM 1306 CD2 PHE A 77 3.813 3.153 -4.187 1.00 0.00 C ATOM 1307 CE1 PHE A 77 5.908 2.858 -2.419 1.00 0.00 C ATOM 1308 CE2 PHE A 77 3.560 2.908 -2.851 1.00 0.00 C ATOM 1309 CZ PHE A 77 4.610 2.759 -1.967 1.00 0.00 C ATOM 0 H PHE A 77 6.442 3.717 -8.360 1.00 0.00 H new ATOM 0 HA PHE A 77 6.695 1.840 -6.217 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.085 4.357 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.461 3.836 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.178 3.179 -4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.987 3.266 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.730 2.743 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.542 2.833 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.414 2.565 -0.923 1.00 0.00 H new ATOM 1319 N ALA A 78 4.226 1.484 -8.375 1.00 0.00 N ATOM 1320 CA ALA A 78 3.210 0.554 -8.896 1.00 0.00 C ATOM 1321 C ALA A 78 3.807 -0.852 -9.026 1.00 0.00 C ATOM 1322 O ALA A 78 3.182 -1.831 -8.629 1.00 0.00 O ATOM 1323 CB ALA A 78 2.677 1.040 -10.252 1.00 0.00 C ATOM 0 H ALA A 78 4.418 2.270 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 78 2.375 0.519 -8.196 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.927 0.340 -10.621 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.226 2.025 -10.134 1.00 0.00 H new ATOM 0 HB3 ALA A 78 3.499 1.101 -10.965 1.00 0.00 H new ATOM 1329 N ALA A 79 5.046 -0.911 -9.558 1.00 0.00 N ATOM 1330 CA ALA A 79 5.834 -2.153 -9.663 1.00 0.00 C ATOM 1331 C ALA A 79 6.199 -2.711 -8.268 1.00 0.00 C ATOM 1332 O ALA A 79 6.148 -3.926 -8.060 1.00 0.00 O ATOM 1333 CB ALA A 79 7.097 -1.895 -10.505 1.00 0.00 C ATOM 0 H ALA A 79 5.529 -0.092 -9.928 1.00 0.00 H new ATOM 0 HA ALA A 79 5.226 -2.909 -10.160 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.678 -2.814 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.808 -1.565 -11.503 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.701 -1.123 -10.028 1.00 0.00 H new ATOM 1339 N ILE A 80 6.566 -1.807 -7.322 1.00 0.00 N ATOM 1340 CA ILE A 80 6.856 -2.180 -5.915 1.00 0.00 C ATOM 1341 C ILE A 80 5.628 -2.861 -5.292 1.00 0.00 C ATOM 1342 O ILE A 80 5.728 -3.981 -4.781 1.00 0.00 O ATOM 1343 CB ILE A 80 7.248 -0.960 -5.062 1.00 0.00 C ATOM 1344 CG1 ILE A 80 8.535 -0.327 -5.596 1.00 0.00 C ATOM 1345 CG2 ILE A 80 7.413 -1.361 -3.604 1.00 0.00 C ATOM 1346 CD1 ILE A 80 9.746 -1.227 -5.494 1.00 0.00 C ATOM 0 H ILE A 80 6.668 -0.810 -7.512 1.00 0.00 H new ATOM 0 HA ILE A 80 7.702 -2.867 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 80 6.449 -0.221 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 80 8.387 -0.050 -6.640 1.00 0.00 H new ATOM 0 HG13 ILE A 80 8.731 0.594 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.690 -0.487 -3.015 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.473 -1.767 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 80 8.194 -2.117 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.619 -0.709 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.921 -1.484 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.572 -2.138 -6.067 1.00 0.00 H new ATOM 1358 N LEU A 81 4.459 -2.188 -5.409 1.00 0.00 N ATOM 1359 CA LEU A 81 3.179 -2.667 -4.856 1.00 0.00 C ATOM 1360 C LEU A 81 2.726 -3.944 -5.582 1.00 0.00 C ATOM 1361 O LEU A 81 2.197 -4.849 -4.952 1.00 0.00 O ATOM 1362 CB LEU A 81 2.105 -1.577 -4.965 1.00 0.00 C ATOM 1363 CG LEU A 81 2.264 -0.403 -3.992 1.00 0.00 C ATOM 1364 CD1 LEU A 81 1.193 0.646 -4.258 1.00 0.00 C ATOM 1365 CD2 LEU A 81 2.175 -0.914 -2.560 1.00 0.00 C ATOM 0 H LEU A 81 4.382 -1.293 -5.893 1.00 0.00 H new ATOM 0 HA LEU A 81 3.324 -2.902 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.108 -1.187 -5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.129 -2.034 -4.801 1.00 0.00 H new ATOM 0 HG LEU A 81 3.239 0.061 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.315 1.475 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.289 1.013 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.207 0.201 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.288 -0.079 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.206 -1.387 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.967 -1.641 -2.383 1.00 0.00 H new ATOM 1377 N ASN A 82 3.003 -4.008 -6.902 1.00 0.00 N ATOM 1378 CA ASN A 82 2.688 -5.182 -7.751 1.00 0.00 C ATOM 1379 C ASN A 82 3.313 -6.464 -7.164 1.00 0.00 C ATOM 1380 O ASN A 82 2.660 -7.513 -7.091 1.00 0.00 O ATOM 1381 CB ASN A 82 3.150 -4.980 -9.182 1.00 0.00 C ATOM 1382 CG ASN A 82 2.734 -6.083 -10.115 1.00 0.00 C ATOM 1383 OD1 ASN A 82 1.541 -6.303 -10.355 1.00 0.00 O ATOM 1384 ND2 ASN A 82 3.705 -6.828 -10.577 1.00 0.00 N ATOM 0 H ASN A 82 3.452 -3.247 -7.412 1.00 0.00 H new ATOM 0 HA ASN A 82 1.604 -5.292 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.753 -4.035 -9.552 1.00 0.00 H new ATOM 0 HB3 ASN A 82 4.237 -4.896 -9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.494 -7.634 -11.165 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.673 -6.603 -10.349 1.00 0.00 H new ATOM 1391 N LYS A 83 4.576 -6.354 -6.711 1.00 0.00 N ATOM 1392 CA LYS A 83 5.273 -7.462 -6.039 1.00 0.00 C ATOM 1393 C LYS A 83 4.726 -7.693 -4.619 1.00 0.00 C ATOM 1394 O LYS A 83 4.544 -8.830 -4.238 1.00 0.00 O ATOM 1395 CB LYS A 83 6.777 -7.190 -5.984 1.00 0.00 C ATOM 1396 CG LYS A 83 7.596 -8.312 -5.357 1.00 0.00 C ATOM 1397 CD LYS A 83 7.571 -9.564 -6.221 1.00 0.00 C ATOM 1398 CE LYS A 83 8.493 -10.640 -5.665 1.00 0.00 C ATOM 1399 NZ LYS A 83 8.468 -11.876 -6.492 1.00 0.00 N ATOM 0 H LYS A 83 5.134 -5.505 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 83 5.094 -8.367 -6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.140 -7.014 -6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.948 -6.273 -5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.626 -7.981 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.203 -8.543 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.553 -9.949 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.874 -9.313 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.512 -10.256 -5.618 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.196 -10.880 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.109 -12.583 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.501 -12.258 -6.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.776 -11.652 -7.460 1.00 0.00 H new ATOM 1413 N VAL A 84 4.453 -6.613 -3.862 1.00 0.00 N ATOM 1414 CA VAL A 84 4.047 -6.703 -2.433 1.00 0.00 C ATOM 1415 C VAL A 84 2.672 -7.387 -2.302 1.00 0.00 C ATOM 1416 O VAL A 84 2.487 -8.313 -1.500 1.00 0.00 O ATOM 1417 CB VAL A 84 3.984 -5.315 -1.765 1.00 0.00 C ATOM 1418 CG1 VAL A 84 3.308 -5.410 -0.406 1.00 0.00 C ATOM 1419 CG2 VAL A 84 5.379 -4.727 -1.626 1.00 0.00 C ATOM 0 H VAL A 84 4.505 -5.657 -4.214 1.00 0.00 H new ATOM 0 HA VAL A 84 4.806 -7.298 -1.925 1.00 0.00 H new ATOM 0 HB VAL A 84 3.394 -4.653 -2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.272 -4.422 0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.294 -5.790 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.873 -6.086 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.315 -3.747 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.993 -5.387 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.831 -4.624 -2.613 1.00 0.00 H new ATOM 1429 N PHE A 85 1.726 -6.906 -3.113 1.00 0.00 N ATOM 1430 CA PHE A 85 0.359 -7.426 -3.142 1.00 0.00 C ATOM 1431 C PHE A 85 0.370 -8.885 -3.651 1.00 0.00 C ATOM 1432 O PHE A 85 -0.346 -9.735 -3.124 1.00 0.00 O ATOM 1433 CB PHE A 85 -0.560 -6.492 -3.986 1.00 0.00 C ATOM 1434 CG PHE A 85 -0.994 -5.214 -3.243 1.00 0.00 C ATOM 1435 CD1 PHE A 85 -1.801 -5.282 -2.101 1.00 0.00 C ATOM 1436 CD2 PHE A 85 -0.586 -3.952 -3.669 1.00 0.00 C ATOM 1437 CE1 PHE A 85 -2.169 -4.133 -1.422 1.00 0.00 C ATOM 1438 CE2 PHE A 85 -0.956 -2.807 -2.992 1.00 0.00 C ATOM 1439 CZ PHE A 85 -1.743 -2.901 -1.866 1.00 0.00 C ATOM 0 H PHE A 85 1.889 -6.143 -3.770 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.058 -7.438 -2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.036 -6.210 -4.899 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.449 -7.047 -4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.141 -6.243 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.034 -3.867 -4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.791 -4.203 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.629 -1.840 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.027 -2.007 -1.330 1.00 0.00 H new ATOM 1449 N ALA A 86 1.273 -9.185 -4.597 1.00 0.00 N ATOM 1450 CA ALA A 86 1.520 -10.567 -5.062 1.00 0.00 C ATOM 1451 C ALA A 86 2.155 -11.440 -3.941 1.00 0.00 C ATOM 1452 O ALA A 86 1.926 -12.647 -3.891 1.00 0.00 O ATOM 1453 CB ALA A 86 2.400 -10.544 -6.327 1.00 0.00 C ATOM 0 H ALA A 86 1.851 -8.485 -5.061 1.00 0.00 H new ATOM 0 HA ALA A 86 0.563 -11.025 -5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.578 -11.565 -6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.892 -9.985 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.352 -10.066 -6.099 1.00 0.00 H new ATOM 1459 N GLU A 87 2.927 -10.798 -3.029 1.00 0.00 N ATOM 1460 CA GLU A 87 3.590 -11.468 -1.881 1.00 0.00 C ATOM 1461 C GLU A 87 2.574 -11.765 -0.758 1.00 0.00 C ATOM 1462 O GLU A 87 2.786 -12.657 0.064 1.00 0.00 O ATOM 1463 CB GLU A 87 4.730 -10.576 -1.283 1.00 0.00 C ATOM 1464 CG GLU A 87 6.072 -10.539 -2.053 1.00 0.00 C ATOM 1465 CD GLU A 87 6.914 -11.815 -1.911 1.00 0.00 C ATOM 1466 OE1 GLU A 87 7.252 -12.186 -0.768 1.00 0.00 O ATOM 1467 OE2 GLU A 87 7.265 -12.435 -2.939 1.00 0.00 O ATOM 0 H GLU A 87 3.108 -9.795 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 87 4.013 -12.398 -2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.356 -9.555 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.931 -10.919 -0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.867 -10.368 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.657 -9.690 -1.700 1.00 0.00 H new ATOM 1474 N LEU A 88 1.463 -11.008 -0.739 1.00 0.00 N ATOM 1475 CA LEU A 88 0.490 -11.038 0.370 1.00 0.00 C ATOM 1476 C LEU A 88 -0.811 -11.782 -0.014 1.00 0.00 C ATOM 1477 O LEU A 88 -1.654 -12.030 0.856 1.00 0.00 O ATOM 1478 CB LEU A 88 0.167 -9.607 0.819 1.00 0.00 C ATOM 1479 CG LEU A 88 1.345 -8.832 1.423 1.00 0.00 C ATOM 1480 CD1 LEU A 88 0.921 -7.404 1.742 1.00 0.00 C ATOM 1481 CD2 LEU A 88 1.835 -9.542 2.676 1.00 0.00 C ATOM 0 H LEU A 88 1.214 -10.361 -1.487 1.00 0.00 H new ATOM 0 HA LEU A 88 0.946 -11.588 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.212 -9.051 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.637 -9.646 1.554 1.00 0.00 H new ATOM 0 HG LEU A 88 2.162 -8.793 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.764 -6.861 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.597 -6.908 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.098 -7.420 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.672 -8.990 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.026 -9.595 3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.159 -10.551 2.419 1.00 0.00 H new ATOM 1493 N GLY A 89 -0.971 -12.116 -1.307 1.00 0.00 N ATOM 1494 CA GLY A 89 -2.122 -12.903 -1.780 1.00 0.00 C ATOM 1495 C GLY A 89 -3.294 -12.039 -2.243 1.00 0.00 C ATOM 1496 O GLY A 89 -4.466 -12.424 -2.122 1.00 0.00 O ATOM 0 H GLY A 89 -0.316 -11.852 -2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.803 -13.542 -2.603 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.458 -13.560 -0.978 1.00 0.00 H new ATOM 1500 N TYR A 90 -2.965 -10.847 -2.739 1.00 0.00 N ATOM 1501 CA TYR A 90 -3.920 -9.907 -3.347 1.00 0.00 C ATOM 1502 C TYR A 90 -3.783 -10.057 -4.869 1.00 0.00 C ATOM 1503 O TYR A 90 -2.665 -10.233 -5.379 1.00 0.00 O ATOM 1504 CB TYR A 90 -3.653 -8.464 -2.910 1.00 0.00 C ATOM 1505 CG TYR A 90 -3.970 -8.196 -1.455 1.00 0.00 C ATOM 1506 CD1 TYR A 90 -5.260 -7.882 -1.055 1.00 0.00 C ATOM 1507 CD2 TYR A 90 -2.979 -8.255 -0.487 1.00 0.00 C ATOM 1508 CE1 TYR A 90 -5.556 -7.637 0.272 1.00 0.00 C ATOM 1509 CE2 TYR A 90 -3.263 -8.011 0.842 1.00 0.00 C ATOM 1510 CZ TYR A 90 -4.554 -7.702 1.218 1.00 0.00 C ATOM 1511 OH TYR A 90 -4.843 -7.457 2.541 1.00 0.00 O ATOM 0 H TYR A 90 -2.008 -10.495 -2.732 1.00 0.00 H new ATOM 0 HA TYR A 90 -4.935 -10.136 -3.022 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.605 -8.227 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -4.245 -7.791 -3.531 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.047 -7.828 -1.793 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.967 -8.496 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.566 -7.396 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -2.479 -8.062 1.583 1.00 0.00 H new ATOM 0 HH TYR A 90 -4.026 -7.544 3.076 1.00 0.00 H new ATOM 1521 N ASN A 91 -4.909 -9.981 -5.582 1.00 0.00 N ATOM 1522 CA ASN A 91 -4.934 -10.065 -7.052 1.00 0.00 C ATOM 1523 C ASN A 91 -4.449 -8.739 -7.671 1.00 0.00 C ATOM 1524 O ASN A 91 -4.769 -7.654 -7.163 1.00 0.00 O ATOM 1525 CB ASN A 91 -6.315 -10.419 -7.571 1.00 0.00 C ATOM 1526 CG ASN A 91 -6.732 -11.832 -7.268 1.00 0.00 C ATOM 1527 OD1 ASN A 91 -5.894 -12.720 -7.080 1.00 0.00 O ATOM 1528 ND2 ASN A 91 -8.020 -12.060 -7.299 1.00 0.00 N ATOM 0 H ASN A 91 -5.830 -9.860 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.257 -10.865 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.043 -9.734 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.338 -10.266 -8.650 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.374 -13.007 -7.164 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.670 -11.291 -7.458 1.00 0.00 H new ATOM 1535 N ASP A 92 -3.658 -8.834 -8.754 1.00 0.00 N ATOM 1536 CA ASP A 92 -3.069 -7.660 -9.436 1.00 0.00 C ATOM 1537 C ASP A 92 -4.180 -6.774 -10.035 1.00 0.00 C ATOM 1538 O ASP A 92 -4.127 -5.546 -9.950 1.00 0.00 O ATOM 1539 CB ASP A 92 -2.094 -8.099 -10.530 1.00 0.00 C ATOM 1540 CG ASP A 92 -0.788 -8.688 -10.011 1.00 0.00 C ATOM 1541 OD1 ASP A 92 -0.525 -8.555 -8.840 1.00 0.00 O ATOM 1542 OD2 ASP A 92 -0.145 -9.396 -10.749 1.00 0.00 O ATOM 0 H ASP A 92 -3.407 -9.724 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 92 -2.516 -7.079 -8.698 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.586 -8.838 -11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.865 -7.241 -11.162 1.00 0.00 H new ATOM 1547 N SER A 93 -5.178 -7.449 -10.629 1.00 0.00 N ATOM 1548 CA SER A 93 -6.341 -6.828 -11.290 1.00 0.00 C ATOM 1549 C SER A 93 -7.203 -5.977 -10.323 1.00 0.00 C ATOM 1550 O SER A 93 -7.882 -5.040 -10.758 1.00 0.00 O ATOM 1551 CB SER A 93 -7.191 -7.906 -11.935 1.00 0.00 C ATOM 1552 OG SER A 93 -7.772 -8.757 -10.985 1.00 0.00 O ATOM 0 H SER A 93 -5.200 -8.468 -10.664 1.00 0.00 H new ATOM 0 HA SER A 93 -5.957 -6.145 -12.048 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.975 -7.440 -12.532 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.576 -8.492 -12.618 1.00 0.00 H new ATOM 0 HG SER A 93 -8.312 -9.436 -11.441 1.00 0.00 H new ATOM 1558 N ASN A 94 -7.149 -6.321 -9.021 1.00 0.00 N ATOM 1559 CA ASN A 94 -7.886 -5.614 -7.945 1.00 0.00 C ATOM 1560 C ASN A 94 -7.155 -4.317 -7.536 1.00 0.00 C ATOM 1561 O ASN A 94 -7.653 -3.548 -6.714 1.00 0.00 O ATOM 1562 CB ASN A 94 -8.093 -6.503 -6.734 1.00 0.00 C ATOM 1563 CG ASN A 94 -9.123 -7.579 -6.941 1.00 0.00 C ATOM 1564 OD1 ASN A 94 -9.942 -7.512 -7.866 1.00 0.00 O ATOM 1565 ND2 ASN A 94 -9.141 -8.526 -6.039 1.00 0.00 N ATOM 0 H ASN A 94 -6.590 -7.103 -8.680 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.866 -5.352 -8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.143 -6.968 -6.469 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.392 -5.885 -5.888 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.854 -9.255 -6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.442 -8.536 -5.296 1.00 0.00 H new ATOM 1572 N VAL A 95 -6.007 -4.070 -8.178 1.00 0.00 N ATOM 1573 CA VAL A 95 -5.178 -2.872 -7.960 1.00 0.00 C ATOM 1574 C VAL A 95 -5.437 -1.853 -9.090 1.00 0.00 C ATOM 1575 O VAL A 95 -5.267 -2.188 -10.264 1.00 0.00 O ATOM 1576 CB VAL A 95 -3.677 -3.212 -7.906 1.00 0.00 C ATOM 1577 CG1 VAL A 95 -2.853 -1.952 -7.682 1.00 0.00 C ATOM 1578 CG2 VAL A 95 -3.400 -4.230 -6.810 1.00 0.00 C ATOM 0 H VAL A 95 -5.619 -4.705 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.456 -2.446 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.388 -3.648 -8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.795 -2.211 -7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.028 -1.253 -8.499 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.145 -1.489 -6.739 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.334 -4.458 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.705 -3.820 -5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.962 -5.142 -7.010 1.00 0.00 H new ATOM 1588 N THR A 96 -5.922 -0.646 -8.740 1.00 0.00 N ATOM 1589 CA THR A 96 -6.227 0.411 -9.724 1.00 0.00 C ATOM 1590 C THR A 96 -5.549 1.730 -9.306 1.00 0.00 C ATOM 1591 O THR A 96 -5.780 2.218 -8.200 1.00 0.00 O ATOM 1592 CB THR A 96 -7.742 0.641 -9.870 1.00 0.00 C ATOM 1593 OG1 THR A 96 -8.375 -0.575 -10.290 1.00 0.00 O ATOM 1594 CG2 THR A 96 -8.021 1.732 -10.893 1.00 0.00 C ATOM 0 H THR A 96 -6.112 -0.377 -7.775 1.00 0.00 H new ATOM 0 HA THR A 96 -5.841 0.080 -10.688 1.00 0.00 H new ATOM 0 HB THR A 96 -8.141 0.952 -8.904 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.340 -0.427 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.097 1.880 -10.982 1.00 0.00 H new ATOM 0 HG22 THR A 96 -7.552 2.662 -10.571 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.614 1.437 -11.860 1.00 0.00 H new ATOM 1602 N TRP A 97 -4.694 2.283 -10.188 1.00 0.00 N ATOM 1603 CA TRP A 97 -4.006 3.568 -9.951 1.00 0.00 C ATOM 1604 C TRP A 97 -4.845 4.741 -10.496 1.00 0.00 C ATOM 1605 O TRP A 97 -5.350 4.690 -11.618 1.00 0.00 O ATOM 1606 CB TRP A 97 -2.588 3.579 -10.596 1.00 0.00 C ATOM 1607 CG TRP A 97 -1.502 2.966 -9.727 1.00 0.00 C ATOM 1608 CD1 TRP A 97 -1.115 1.650 -9.671 1.00 0.00 C ATOM 1609 CD2 TRP A 97 -0.663 3.664 -8.786 1.00 0.00 C ATOM 1610 NE1 TRP A 97 -0.112 1.492 -8.744 1.00 0.00 N ATOM 1611 CE2 TRP A 97 0.190 2.712 -8.196 1.00 0.00 C ATOM 1612 CE3 TRP A 97 -0.548 5.003 -8.389 1.00 0.00 C ATOM 1613 CZ2 TRP A 97 1.139 3.054 -7.232 1.00 0.00 C ATOM 1614 CZ3 TRP A 97 0.391 5.336 -7.426 1.00 0.00 C ATOM 1615 CH2 TRP A 97 1.225 4.365 -6.860 1.00 0.00 C ATOM 0 H TRP A 97 -4.461 1.853 -11.083 1.00 0.00 H new ATOM 0 HA TRP A 97 -3.890 3.687 -8.874 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -2.628 3.040 -11.542 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -2.314 4.609 -10.827 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.537 0.855 -10.268 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.336 0.608 -8.502 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -1.180 5.762 -8.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.784 2.307 -6.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 0.481 6.364 -7.106 1.00 0.00 H new ATOM 0 HH2 TRP A 97 1.950 4.658 -6.115 1.00 0.00 H new ATOM 1626 N ASP A 98 -4.999 5.772 -9.665 1.00 0.00 N ATOM 1627 CA ASP A 98 -5.585 7.068 -10.036 1.00 0.00 C ATOM 1628 C ASP A 98 -4.603 8.161 -9.608 1.00 0.00 C ATOM 1629 O ASP A 98 -4.582 8.570 -8.436 1.00 0.00 O ATOM 1630 CB ASP A 98 -6.952 7.276 -9.383 1.00 0.00 C ATOM 1631 CG ASP A 98 -7.650 8.570 -9.781 1.00 0.00 C ATOM 1632 OD1 ASP A 98 -7.064 9.340 -10.505 1.00 0.00 O ATOM 1633 OD2 ASP A 98 -8.815 8.707 -9.492 1.00 0.00 O ATOM 0 H ASP A 98 -4.713 5.731 -8.687 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.749 7.103 -11.113 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.596 6.436 -9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.830 7.262 -8.300 1.00 0.00 H new ATOM 1638 N GLY A 99 -3.748 8.581 -10.554 1.00 0.00 N ATOM 1639 CA GLY A 99 -2.745 9.608 -10.295 1.00 0.00 C ATOM 1640 C GLY A 99 -1.700 9.150 -9.277 1.00 0.00 C ATOM 1641 O GLY A 99 -1.056 8.113 -9.467 1.00 0.00 O ATOM 0 H GLY A 99 -3.737 8.219 -11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.249 9.873 -11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.236 10.509 -9.929 1.00 0.00 H new ATOM 1645 N ASP A 100 -1.567 9.910 -8.178 1.00 0.00 N ATOM 1646 CA ASP A 100 -0.585 9.631 -7.108 1.00 0.00 C ATOM 1647 C ASP A 100 -1.166 8.680 -6.037 1.00 0.00 C ATOM 1648 O ASP A 100 -0.501 8.385 -5.036 1.00 0.00 O ATOM 1649 CB ASP A 100 -0.123 10.935 -6.454 1.00 0.00 C ATOM 1650 CG ASP A 100 -1.222 11.701 -5.731 1.00 0.00 C ATOM 1651 OD1 ASP A 100 -2.331 11.221 -5.699 1.00 0.00 O ATOM 1652 OD2 ASP A 100 -0.915 12.673 -5.085 1.00 0.00 O ATOM 0 H ASP A 100 -2.137 10.738 -8.002 1.00 0.00 H new ATOM 0 HA ASP A 100 0.271 9.137 -7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.673 10.709 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.308 11.579 -7.221 1.00 0.00 H new ATOM 1657 N THR A 101 -2.395 8.197 -6.252 1.00 0.00 N ATOM 1658 CA THR A 101 -3.136 7.405 -5.253 1.00 0.00 C ATOM 1659 C THR A 101 -3.570 6.087 -5.891 1.00 0.00 C ATOM 1660 O THR A 101 -4.117 6.110 -6.984 1.00 0.00 O ATOM 1661 CB THR A 101 -4.373 8.147 -4.715 1.00 0.00 C ATOM 1662 OG1 THR A 101 -3.969 9.391 -4.126 1.00 0.00 O ATOM 1663 CG2 THR A 101 -5.089 7.305 -3.671 1.00 0.00 C ATOM 0 H THR A 101 -2.907 8.342 -7.122 1.00 0.00 H new ATOM 0 HA THR A 101 -2.472 7.228 -4.407 1.00 0.00 H new ATOM 0 HB THR A 101 -5.055 8.334 -5.545 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.481 9.923 -4.788 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.961 7.846 -3.302 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.409 6.364 -4.119 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.412 7.100 -2.842 1.00 0.00 H new ATOM 1671 N VAL A 102 -3.356 4.946 -5.216 1.00 0.00 N ATOM 1672 CA VAL A 102 -3.801 3.646 -5.742 1.00 0.00 C ATOM 1673 C VAL A 102 -4.877 3.066 -4.797 1.00 0.00 C ATOM 1674 O VAL A 102 -4.753 3.144 -3.565 1.00 0.00 O ATOM 1675 CB VAL A 102 -2.636 2.647 -5.879 1.00 0.00 C ATOM 1676 CG1 VAL A 102 -1.990 2.392 -4.525 1.00 0.00 C ATOM 1677 CG2 VAL A 102 -3.122 1.340 -6.489 1.00 0.00 C ATOM 0 H VAL A 102 -2.882 4.897 -4.314 1.00 0.00 H new ATOM 0 HA VAL A 102 -4.211 3.805 -6.739 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.888 3.081 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.169 1.684 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.606 3.330 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -2.731 1.979 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -2.286 0.647 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -3.889 0.903 -5.849 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -3.540 1.533 -7.477 1.00 0.00 H new ATOM 1687 N THR A 103 -5.962 2.549 -5.389 1.00 0.00 N ATOM 1688 CA THR A 103 -7.070 1.941 -4.660 1.00 0.00 C ATOM 1689 C THR A 103 -7.059 0.439 -4.971 1.00 0.00 C ATOM 1690 O THR A 103 -7.044 0.023 -6.142 1.00 0.00 O ATOM 1691 CB THR A 103 -8.431 2.550 -5.042 1.00 0.00 C ATOM 1692 OG1 THR A 103 -8.445 3.942 -4.700 1.00 0.00 O ATOM 1693 CG2 THR A 103 -9.559 1.840 -4.309 1.00 0.00 C ATOM 0 H THR A 103 -6.091 2.544 -6.401 1.00 0.00 H new ATOM 0 HA THR A 103 -6.938 2.128 -3.594 1.00 0.00 H new ATOM 0 HB THR A 103 -8.578 2.430 -6.115 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.518 4.039 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.513 2.284 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.558 0.783 -4.576 1.00 0.00 H new ATOM 0 HG23 THR A 103 -9.415 1.943 -3.233 1.00 0.00 H new ATOM 1701 N VAL A 104 -6.974 -0.359 -3.905 1.00 0.00 N ATOM 1702 CA VAL A 104 -6.909 -1.819 -3.977 1.00 0.00 C ATOM 1703 C VAL A 104 -8.072 -2.390 -3.175 1.00 0.00 C ATOM 1704 O VAL A 104 -8.316 -1.966 -2.045 1.00 0.00 O ATOM 1705 CB VAL A 104 -5.578 -2.374 -3.434 1.00 0.00 C ATOM 1706 CG1 VAL A 104 -5.554 -3.893 -3.537 1.00 0.00 C ATOM 1707 CG2 VAL A 104 -4.402 -1.772 -4.188 1.00 0.00 C ATOM 0 H VAL A 104 -6.948 -0.002 -2.950 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.972 -2.116 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 104 -5.492 -2.097 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -4.607 -4.269 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.376 -4.310 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.662 -4.189 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.470 -2.175 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.483 -2.020 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -4.409 -0.689 -4.068 1.00 0.00 H new ATOM 1717 N GLU A 105 -8.796 -3.342 -3.769 1.00 0.00 N ATOM 1718 CA GLU A 105 -9.842 -4.089 -3.069 1.00 0.00 C ATOM 1719 C GLU A 105 -9.360 -5.528 -2.862 1.00 0.00 C ATOM 1720 O GLU A 105 -8.810 -6.150 -3.783 1.00 0.00 O ATOM 1721 CB GLU A 105 -11.158 -4.065 -3.850 1.00 0.00 C ATOM 1722 CG GLU A 105 -11.817 -2.695 -3.931 1.00 0.00 C ATOM 1723 CD GLU A 105 -13.141 -2.766 -4.639 1.00 0.00 C ATOM 1724 OE1 GLU A 105 -13.511 -3.835 -5.062 1.00 0.00 O ATOM 1725 OE2 GLU A 105 -13.836 -1.777 -4.658 1.00 0.00 O ATOM 0 H GLU A 105 -8.674 -3.615 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.034 -3.621 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.972 -4.426 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.855 -4.763 -3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.961 -2.298 -2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -11.158 -2.003 -4.456 1.00 0.00 H new ATOM 1732 N GLY A 106 -9.568 -6.035 -1.637 1.00 0.00 N ATOM 1733 CA GLY A 106 -9.095 -7.353 -1.235 1.00 0.00 C ATOM 1734 C GLY A 106 -10.108 -8.105 -0.395 1.00 0.00 C ATOM 1735 O GLY A 106 -11.127 -7.539 0.035 1.00 0.00 O ATOM 0 H GLY A 106 -10.070 -5.536 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -8.861 -7.938 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -8.169 -7.246 -0.671 1.00 0.00 H new ATOM 1739 N GLN A 107 -9.825 -9.395 -0.178 1.00 0.00 N ATOM 1740 CA GLN A 107 -10.699 -10.299 0.575 1.00 0.00 C ATOM 1741 C GLN A 107 -9.848 -11.142 1.531 1.00 0.00 C ATOM 1742 O GLN A 107 -8.835 -11.740 1.131 1.00 0.00 O ATOM 1743 CB GLN A 107 -11.494 -11.206 -0.369 1.00 0.00 C ATOM 1744 CG GLN A 107 -12.462 -12.141 0.335 1.00 0.00 C ATOM 1745 CD GLN A 107 -13.257 -12.990 -0.637 1.00 0.00 C ATOM 1746 OE1 GLN A 107 -13.117 -12.859 -1.856 1.00 0.00 O ATOM 1747 NE2 GLN A 107 -14.102 -13.865 -0.104 1.00 0.00 N ATOM 0 H GLN A 107 -8.976 -9.843 -0.523 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.413 -9.706 1.147 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.052 -10.584 -1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -10.795 -11.800 -0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.907 -12.791 1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.148 -11.555 0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.186 -13.940 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.667 -14.462 -0.708 1.00 0.00 H new