USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 825 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 Single : A 688 GLN :FLIP amide:sc= -1.67 F(o=-4.7,f=-1.7) USER MOD Single : A 691 TYR OH : rot 180:sc= 0 USER MOD Single : A 698 GLN : amide:sc= 0.226 K(o=0.23,f=-2.6!) USER MOD Single : A 699 LYS NZ :NH3+ -122:sc= 0.169 (180deg=0) USER MOD Single : A 702 MET CE :methyl 153:sc= -3.91 (180deg=-8.92!) USER MOD Single : B 1 MET CE :methyl 174:sc= 0 (180deg=-0.0437) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -1.87 X(o=-1.9,f=-2.2) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 1.33 (180deg=1.33) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.145 USER MOD Single : B 9 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : B 11 LYS NZ :NH3+ -111:sc= 0.492 (180deg=-0.255) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 22 THR OG1 : rot 77:sc= 0.683 USER MOD Single : B 25 ASN : amide:sc= 0.403 K(o=0.4,f=-0.21) USER MOD Single : B 27 LYS NZ :NH3+ 177:sc= 1.11 (180deg=1.1) USER MOD Single : B 29 LYS NZ :NH3+ -163:sc= 0.975 (180deg=0.775) USER MOD Single : B 31 GLN : amide:sc= -0.305 K(o=-0.31,f=-1.2) USER MOD Single : B 33 LYS NZ :NH3+ -130:sc= 0.108 (180deg=0) USER MOD Single : B 40 GLN :FLIP amide:sc= -0.0146 F(o=-1.1,f=-0.015) USER MOD Single : B 41 GLN : amide:sc= 0.163 K(o=0.16,f=-3.2!) USER MOD Single : B 48 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00722) USER MOD Single : B 49 GLN :FLIP amide:sc= -0.854 F(o=-1.9!,f=-0.85) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= 0 USER MOD Single : B 59 TYR OH : rot -29:sc= -2.5 USER MOD Single : B 60 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.34) USER MOD Single : B 62 GLN : amide:sc= 1.11 K(o=1.1,f=-0.2) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -120:sc= 0.576 USER MOD Single : B 66 THR OG1 : rot 59:sc= 0.134 USER MOD Single : B 68 HIS :FLIP no HD1:sc= -0.298 F(o=-1.1,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 63 N LEU A 679 17.826 -3.275 4.968 1.00 0.00 N ATOM 64 CA LEU A 679 16.572 -3.287 4.256 1.00 0.00 C ATOM 65 C LEU A 679 16.782 -3.471 2.743 1.00 0.00 C ATOM 66 O LEU A 679 17.912 -3.391 2.264 1.00 0.00 O ATOM 67 CB LEU A 679 15.830 -1.992 4.609 1.00 0.00 C ATOM 68 CG LEU A 679 15.907 -1.643 6.104 1.00 0.00 C ATOM 69 CD1 LEU A 679 15.283 -0.276 6.331 1.00 0.00 C ATOM 70 CD2 LEU A 679 15.164 -2.687 6.935 1.00 0.00 C ATOM 0 HA LEU A 679 15.964 -4.140 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 679 16.248 -1.170 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 679 14.784 -2.088 4.318 1.00 0.00 H new ATOM 0 HG LEU A 679 16.952 -1.631 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 679 15.335 -0.024 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 679 15.825 0.472 5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 679 14.240 -0.295 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 679 15.228 -2.425 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 679 14.117 -2.716 6.632 1.00 0.00 H new ATOM 0 HD23 LEU A 679 15.615 -3.667 6.776 1.00 0.00 H new ATOM 82 N PRO A 680 15.696 -3.713 1.994 1.00 0.00 N ATOM 83 CA PRO A 680 15.686 -4.089 0.582 1.00 0.00 C ATOM 84 C PRO A 680 16.222 -3.038 -0.388 1.00 0.00 C ATOM 85 O PRO A 680 16.103 -3.208 -1.600 1.00 0.00 O ATOM 86 CB PRO A 680 14.227 -4.408 0.242 1.00 0.00 C ATOM 87 CG PRO A 680 13.573 -4.639 1.601 1.00 0.00 C ATOM 88 CD PRO A 680 14.343 -3.685 2.501 1.00 0.00 C ATOM 0 HA PRO A 680 16.366 -4.932 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 680 13.753 -3.586 -0.294 1.00 0.00 H new ATOM 0 HB3 PRO A 680 14.149 -5.290 -0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 680 12.508 -4.410 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 680 13.671 -5.674 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 680 13.926 -2.679 2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 680 14.304 -4.005 3.542 1.00 0.00 H new ATOM 96 N PHE A 681 16.803 -1.958 0.127 1.00 0.00 N ATOM 97 CA PHE A 681 17.322 -0.875 -0.694 1.00 0.00 C ATOM 98 C PHE A 681 18.515 -1.345 -1.530 1.00 0.00 C ATOM 99 O PHE A 681 19.133 -2.362 -1.208 1.00 0.00 O ATOM 100 CB PHE A 681 17.778 0.267 0.219 1.00 0.00 C ATOM 101 CG PHE A 681 16.663 0.972 0.950 1.00 0.00 C ATOM 102 CD1 PHE A 681 15.587 1.517 0.236 1.00 0.00 C ATOM 103 CD2 PHE A 681 16.713 1.095 2.347 1.00 0.00 C ATOM 104 CE1 PHE A 681 14.563 2.187 0.918 1.00 0.00 C ATOM 105 CE2 PHE A 681 15.688 1.767 3.026 1.00 0.00 C ATOM 106 CZ PHE A 681 14.614 2.310 2.312 1.00 0.00 C ATOM 0 H PHE A 681 16.926 -1.812 1.129 1.00 0.00 H new ATOM 0 HA PHE A 681 16.533 -0.540 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 681 18.481 -0.130 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 681 18.321 0.998 -0.380 1.00 0.00 H new ATOM 0 HD1 PHE A 681 15.547 1.421 -0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 681 17.540 0.672 2.898 1.00 0.00 H new ATOM 0 HE1 PHE A 681 13.734 2.609 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 681 15.727 1.866 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 681 13.823 2.825 2.837 1.00 0.00 H new ATOM 116 N PRO A 682 18.858 -0.616 -2.604 1.00 0.00 N ATOM 117 CA PRO A 682 18.111 0.507 -3.149 1.00 0.00 C ATOM 118 C PRO A 682 16.974 0.165 -4.133 1.00 0.00 C ATOM 119 O PRO A 682 16.194 1.072 -4.425 1.00 0.00 O ATOM 120 CB PRO A 682 19.175 1.315 -3.891 1.00 0.00 C ATOM 121 CG PRO A 682 20.078 0.221 -4.462 1.00 0.00 C ATOM 122 CD PRO A 682 20.078 -0.834 -3.359 1.00 0.00 C ATOM 0 HA PRO A 682 17.596 1.014 -2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 682 18.741 1.934 -4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 682 19.718 1.982 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 682 19.688 -0.175 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 682 21.082 0.592 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 682 20.103 -1.839 -3.779 1.00 0.00 H new ATOM 0 HD3 PRO A 682 20.956 -0.733 -2.721 1.00 0.00 H new ATOM 130 N PRO A 683 16.813 -1.059 -4.674 1.00 0.00 N ATOM 131 CA PRO A 683 15.805 -1.298 -5.694 1.00 0.00 C ATOM 132 C PRO A 683 14.385 -1.375 -5.132 1.00 0.00 C ATOM 133 O PRO A 683 14.179 -1.383 -3.919 1.00 0.00 O ATOM 134 CB PRO A 683 16.190 -2.632 -6.335 1.00 0.00 C ATOM 135 CG PRO A 683 16.802 -3.392 -5.165 1.00 0.00 C ATOM 136 CD PRO A 683 17.553 -2.288 -4.427 1.00 0.00 C ATOM 0 HA PRO A 683 15.787 -0.471 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 683 15.324 -3.150 -6.747 1.00 0.00 H new ATOM 0 HB3 PRO A 683 16.901 -2.501 -7.151 1.00 0.00 H new ATOM 0 HG2 PRO A 683 16.041 -3.857 -4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 683 17.469 -4.186 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 683 17.608 -2.501 -3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 683 18.578 -2.205 -4.789 1.00 0.00 H new ATOM 144 N ASP A 684 13.421 -1.438 -6.060 1.00 0.00 N ATOM 145 CA ASP A 684 11.985 -1.598 -5.843 1.00 0.00 C ATOM 146 C ASP A 684 11.294 -0.489 -5.039 1.00 0.00 C ATOM 147 O ASP A 684 10.089 -0.310 -5.204 1.00 0.00 O ATOM 148 CB ASP A 684 11.702 -2.973 -5.236 1.00 0.00 C ATOM 149 CG ASP A 684 12.223 -4.098 -6.125 1.00 0.00 C ATOM 150 OD1 ASP A 684 11.741 -4.197 -7.277 1.00 0.00 O ATOM 151 OD2 ASP A 684 13.103 -4.853 -5.651 1.00 0.00 O ATOM 0 H ASP A 684 13.645 -1.373 -7.053 1.00 0.00 H new ATOM 0 HA ASP A 684 11.539 -1.512 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 684 12.168 -3.040 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 684 10.629 -3.092 -5.089 1.00 0.00 H new ATOM 156 N ILE A 685 12.005 0.253 -4.186 1.00 0.00 N ATOM 157 CA ILE A 685 11.403 1.327 -3.399 1.00 0.00 C ATOM 158 C ILE A 685 12.417 2.406 -3.034 1.00 0.00 C ATOM 159 O ILE A 685 13.619 2.258 -3.248 1.00 0.00 O ATOM 160 CB ILE A 685 10.740 0.797 -2.114 1.00 0.00 C ATOM 161 CG1 ILE A 685 11.423 -0.425 -1.490 1.00 0.00 C ATOM 162 CG2 ILE A 685 9.269 0.492 -2.386 1.00 0.00 C ATOM 163 CD1 ILE A 685 12.732 -0.038 -0.811 1.00 0.00 C ATOM 0 H ILE A 685 13.004 0.127 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 685 10.635 1.768 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 685 10.846 1.592 -1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 685 10.755 -0.886 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 685 11.617 -1.170 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 685 8.801 0.117 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 685 8.762 1.402 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 685 9.193 -0.261 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 685 13.193 -0.925 -0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 685 13.407 0.400 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 685 12.532 0.688 -0.023 1.00 0.00 H new ATOM 175 N ASP A 686 11.897 3.498 -2.472 1.00 0.00 N ATOM 176 CA ASP A 686 12.660 4.640 -2.008 1.00 0.00 C ATOM 177 C ASP A 686 11.984 5.168 -0.744 1.00 0.00 C ATOM 178 O ASP A 686 10.756 5.284 -0.716 1.00 0.00 O ATOM 179 CB ASP A 686 12.668 5.707 -3.100 1.00 0.00 C ATOM 180 CG ASP A 686 13.305 5.209 -4.393 1.00 0.00 C ATOM 181 OD1 ASP A 686 14.554 5.215 -4.459 1.00 0.00 O ATOM 182 OD2 ASP A 686 12.539 4.830 -5.309 1.00 0.00 O ATOM 0 H ASP A 686 10.894 3.608 -2.325 1.00 0.00 H new ATOM 0 HA ASP A 686 13.691 4.365 -1.786 1.00 0.00 H new ATOM 0 HB2 ASP A 686 11.645 6.025 -3.301 1.00 0.00 H new ATOM 0 HB3 ASP A 686 13.210 6.583 -2.745 1.00 0.00 H new ATOM 187 N PRO A 687 12.743 5.495 0.309 1.00 0.00 N ATOM 188 CA PRO A 687 12.167 5.919 1.572 1.00 0.00 C ATOM 189 C PRO A 687 11.512 7.282 1.432 1.00 0.00 C ATOM 190 O PRO A 687 10.658 7.656 2.228 1.00 0.00 O ATOM 191 CB PRO A 687 13.332 5.937 2.561 1.00 0.00 C ATOM 192 CG PRO A 687 14.569 6.135 1.688 1.00 0.00 C ATOM 193 CD PRO A 687 14.194 5.477 0.361 1.00 0.00 C ATOM 0 HA PRO A 687 11.378 5.250 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 687 13.225 6.743 3.287 1.00 0.00 H new ATOM 0 HB3 PRO A 687 13.389 5.006 3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 687 14.801 7.192 1.558 1.00 0.00 H new ATOM 0 HG3 PRO A 687 15.449 5.668 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 687 14.623 6.021 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 687 14.575 4.457 0.308 1.00 0.00 H new ATOM 201 N GLN A 688 11.912 8.025 0.403 1.00 0.00 N ATOM 202 CA GLN A 688 11.357 9.327 0.078 1.00 0.00 C ATOM 203 C GLN A 688 9.978 9.199 -0.569 1.00 0.00 C ATOM 204 O GLN A 688 9.421 10.208 -1.002 1.00 0.00 O ATOM 205 CB GLN A 688 12.318 10.061 -0.864 1.00 0.00 C ATOM 206 CG GLN A 688 12.764 9.136 -2.002 1.00 0.00 C ATOM 207 CD GLN A 688 14.214 8.699 -1.889 1.00 0.00 C ATOM 208 OE1 GLN A 688 14.677 8.402 -0.680 1.00 0.00 O flip ATOM 209 NE2 GLN A 688 14.925 8.626 -2.886 1.00 0.00 N flip ATOM 0 H GLN A 688 12.647 7.728 -0.239 1.00 0.00 H new ATOM 0 HA GLN A 688 11.236 9.895 1.000 1.00 0.00 H new ATOM 0 HB2 GLN A 688 11.830 10.944 -1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 688 13.188 10.408 -0.307 1.00 0.00 H new ATOM 0 HG2 GLN A 688 12.126 8.253 -2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 688 12.619 9.647 -2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 688 14.544 8.860 -3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 688 15.898 8.331 -2.798 1.00 0.00 H new ATOM 218 N VAL A 689 9.418 7.988 -0.649 1.00 0.00 N ATOM 219 CA VAL A 689 8.117 7.789 -1.260 1.00 0.00 C ATOM 220 C VAL A 689 7.204 7.031 -0.303 1.00 0.00 C ATOM 221 O VAL A 689 5.987 7.051 -0.475 1.00 0.00 O ATOM 222 CB VAL A 689 8.275 7.044 -2.588 1.00 0.00 C ATOM 223 CG1 VAL A 689 6.928 6.954 -3.298 1.00 0.00 C ATOM 224 CG2 VAL A 689 9.242 7.775 -3.518 1.00 0.00 C ATOM 0 H VAL A 689 9.852 7.135 -0.296 1.00 0.00 H new ATOM 0 HA VAL A 689 7.659 8.756 -1.467 1.00 0.00 H new ATOM 0 HB VAL A 689 8.662 6.051 -2.361 1.00 0.00 H new ATOM 0 HG11 VAL A 689 7.049 6.423 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 689 6.220 6.417 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 689 6.552 7.958 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 689 9.335 7.223 -4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 689 8.863 8.776 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 689 10.220 7.848 -3.042 1.00 0.00 H new ATOM 234 N PHE A 690 7.774 6.361 0.708 1.00 0.00 N ATOM 235 CA PHE A 690 6.965 5.672 1.697 1.00 0.00 C ATOM 236 C PHE A 690 7.052 6.318 3.080 1.00 0.00 C ATOM 237 O PHE A 690 6.220 6.023 3.928 1.00 0.00 O ATOM 238 CB PHE A 690 7.313 4.184 1.715 1.00 0.00 C ATOM 239 CG PHE A 690 8.411 3.767 2.665 1.00 0.00 C ATOM 240 CD1 PHE A 690 8.116 3.513 4.012 1.00 0.00 C ATOM 241 CD2 PHE A 690 9.722 3.621 2.199 1.00 0.00 C ATOM 242 CE1 PHE A 690 9.135 3.123 4.895 1.00 0.00 C ATOM 243 CE2 PHE A 690 10.741 3.252 3.082 1.00 0.00 C ATOM 244 CZ PHE A 690 10.451 3.012 4.431 1.00 0.00 C ATOM 0 H PHE A 690 8.781 6.287 0.854 1.00 0.00 H new ATOM 0 HA PHE A 690 5.919 5.767 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 690 6.412 3.625 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 690 7.602 3.887 0.707 1.00 0.00 H new ATOM 0 HD1 PHE A 690 7.103 3.618 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 690 9.947 3.793 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 690 8.905 2.909 5.928 1.00 0.00 H new ATOM 0 HE2 PHE A 690 11.755 3.152 2.723 1.00 0.00 H new ATOM 0 HZ PHE A 690 11.243 2.741 5.114 1.00 0.00 H new ATOM 254 N TYR A 691 8.030 7.196 3.338 1.00 0.00 N ATOM 255 CA TYR A 691 8.026 7.989 4.562 1.00 0.00 C ATOM 256 C TYR A 691 6.991 9.120 4.478 1.00 0.00 C ATOM 257 O TYR A 691 6.788 9.843 5.449 1.00 0.00 O ATOM 258 CB TYR A 691 9.417 8.563 4.841 1.00 0.00 C ATOM 259 CG TYR A 691 10.444 7.567 5.342 1.00 0.00 C ATOM 260 CD1 TYR A 691 10.062 6.318 5.863 1.00 0.00 C ATOM 261 CD2 TYR A 691 11.805 7.914 5.299 1.00 0.00 C ATOM 262 CE1 TYR A 691 11.026 5.443 6.370 1.00 0.00 C ATOM 263 CE2 TYR A 691 12.778 7.036 5.798 1.00 0.00 C ATOM 264 CZ TYR A 691 12.392 5.793 6.339 1.00 0.00 C ATOM 265 OH TYR A 691 13.333 4.938 6.828 1.00 0.00 O ATOM 0 H TYR A 691 8.823 7.370 2.720 1.00 0.00 H new ATOM 0 HA TYR A 691 7.751 7.331 5.386 1.00 0.00 H new ATOM 0 HB2 TYR A 691 9.794 9.018 3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 691 9.321 9.361 5.577 1.00 0.00 H new ATOM 0 HD1 TYR A 691 9.020 6.034 5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 691 12.104 8.863 4.879 1.00 0.00 H new ATOM 0 HE1 TYR A 691 10.724 4.494 6.788 1.00 0.00 H new ATOM 0 HE2 TYR A 691 13.822 7.312 5.768 1.00 0.00 H new ATOM 0 HH TYR A 691 14.222 5.337 6.727 1.00 0.00 H new ATOM 275 N GLU A 692 6.334 9.280 3.324 1.00 0.00 N ATOM 276 CA GLU A 692 5.243 10.230 3.125 1.00 0.00 C ATOM 277 C GLU A 692 3.959 9.749 3.816 1.00 0.00 C ATOM 278 O GLU A 692 2.863 9.886 3.273 1.00 0.00 O ATOM 279 CB GLU A 692 5.006 10.429 1.626 1.00 0.00 C ATOM 280 CG GLU A 692 6.258 10.976 0.941 1.00 0.00 C ATOM 281 CD GLU A 692 5.963 11.346 -0.511 1.00 0.00 C ATOM 282 OE1 GLU A 692 5.613 10.430 -1.288 1.00 0.00 O ATOM 283 OE2 GLU A 692 6.086 12.548 -0.842 1.00 0.00 O ATOM 0 H GLU A 692 6.553 8.740 2.487 1.00 0.00 H new ATOM 0 HA GLU A 692 5.522 11.183 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 692 4.723 9.480 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 692 4.174 11.117 1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 692 6.619 11.853 1.479 1.00 0.00 H new ATOM 0 HG3 GLU A 692 7.053 10.231 0.977 1.00 0.00 H new ATOM 290 N LEU A 693 4.094 9.178 5.018 1.00 0.00 N ATOM 291 CA LEU A 693 3.038 8.499 5.750 1.00 0.00 C ATOM 292 C LEU A 693 3.205 8.760 7.249 1.00 0.00 C ATOM 293 O LEU A 693 4.210 9.328 7.664 1.00 0.00 O ATOM 294 CB LEU A 693 3.239 6.991 5.562 1.00 0.00 C ATOM 295 CG LEU A 693 3.177 6.474 4.125 1.00 0.00 C ATOM 296 CD1 LEU A 693 3.539 4.986 4.146 1.00 0.00 C ATOM 297 CD2 LEU A 693 1.784 6.643 3.527 1.00 0.00 C ATOM 0 H LEU A 693 4.981 9.181 5.521 1.00 0.00 H new ATOM 0 HA LEU A 693 2.067 8.846 5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 693 4.208 6.720 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 693 2.481 6.469 6.146 1.00 0.00 H new ATOM 0 HG LEU A 693 3.873 7.045 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 693 3.503 4.588 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 693 4.544 4.862 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 693 2.828 4.447 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 693 1.778 6.264 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 693 1.062 6.086 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 693 1.515 7.699 3.524 1.00 0.00 H new ATOM 309 N PRO A 694 2.235 8.354 8.077 1.00 0.00 N ATOM 310 CA PRO A 694 2.423 8.218 9.510 1.00 0.00 C ATOM 311 C PRO A 694 3.239 6.955 9.739 1.00 0.00 C ATOM 312 O PRO A 694 3.140 5.995 8.977 1.00 0.00 O ATOM 313 CB PRO A 694 1.014 8.096 10.085 1.00 0.00 C ATOM 314 CG PRO A 694 0.228 7.442 8.947 1.00 0.00 C ATOM 315 CD PRO A 694 0.887 7.993 7.684 1.00 0.00 C ATOM 0 HA PRO A 694 2.949 9.050 9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 694 0.999 7.485 10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 694 0.602 9.069 10.352 1.00 0.00 H new ATOM 0 HG2 PRO A 694 0.292 6.355 8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 694 -0.830 7.701 8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 694 0.896 7.247 6.889 1.00 0.00 H new ATOM 0 HD3 PRO A 694 0.344 8.858 7.303 1.00 0.00 H new ATOM 323 N GLU A 695 4.046 6.961 10.795 1.00 0.00 N ATOM 324 CA GLU A 695 4.875 5.851 11.180 1.00 0.00 C ATOM 325 C GLU A 695 4.084 4.555 11.146 1.00 0.00 C ATOM 326 O GLU A 695 4.606 3.532 10.737 1.00 0.00 O ATOM 327 CB GLU A 695 5.330 6.144 12.600 1.00 0.00 C ATOM 328 CG GLU A 695 6.844 6.044 12.699 1.00 0.00 C ATOM 329 CD GLU A 695 7.320 6.137 14.147 1.00 0.00 C ATOM 330 OE1 GLU A 695 7.050 5.182 14.908 1.00 0.00 O ATOM 331 OE2 GLU A 695 7.949 7.165 14.486 1.00 0.00 O ATOM 0 H GLU A 695 4.135 7.765 11.416 1.00 0.00 H new ATOM 0 HA GLU A 695 5.718 5.733 10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 695 5.004 7.141 12.895 1.00 0.00 H new ATOM 0 HB3 GLU A 695 4.866 5.440 13.291 1.00 0.00 H new ATOM 0 HG2 GLU A 695 7.176 5.100 12.266 1.00 0.00 H new ATOM 0 HG3 GLU A 695 7.301 6.842 12.113 1.00 0.00 H new ATOM 338 N GLU A 696 2.824 4.613 11.574 1.00 0.00 N ATOM 339 CA GLU A 696 1.889 3.511 11.668 1.00 0.00 C ATOM 340 C GLU A 696 1.902 2.588 10.453 1.00 0.00 C ATOM 341 O GLU A 696 1.458 1.447 10.558 1.00 0.00 O ATOM 342 CB GLU A 696 0.501 4.114 11.896 1.00 0.00 C ATOM 343 CG GLU A 696 -0.598 3.063 11.752 1.00 0.00 C ATOM 344 CD GLU A 696 -1.956 3.639 12.142 1.00 0.00 C ATOM 345 OE1 GLU A 696 -2.577 4.295 11.274 1.00 0.00 O ATOM 346 OE2 GLU A 696 -2.364 3.423 13.307 1.00 0.00 O ATOM 0 H GLU A 696 2.409 5.492 11.883 1.00 0.00 H new ATOM 0 HA GLU A 696 2.184 2.870 12.499 1.00 0.00 H new ATOM 0 HB2 GLU A 696 0.455 4.556 12.891 1.00 0.00 H new ATOM 0 HB3 GLU A 696 0.331 4.919 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 696 -0.632 2.705 10.723 1.00 0.00 H new ATOM 0 HG3 GLU A 696 -0.369 2.203 12.381 1.00 0.00 H new ATOM 353 N VAL A 697 2.400 3.046 9.301 1.00 0.00 N ATOM 354 CA VAL A 697 2.450 2.206 8.122 1.00 0.00 C ATOM 355 C VAL A 697 3.826 2.236 7.454 1.00 0.00 C ATOM 356 O VAL A 697 4.125 1.349 6.659 1.00 0.00 O ATOM 357 CB VAL A 697 1.322 2.578 7.159 1.00 0.00 C ATOM 358 CG1 VAL A 697 -0.040 2.281 7.779 1.00 0.00 C ATOM 359 CG2 VAL A 697 1.379 4.060 6.797 1.00 0.00 C ATOM 0 H VAL A 697 2.769 3.988 9.169 1.00 0.00 H new ATOM 0 HA VAL A 697 2.294 1.173 8.432 1.00 0.00 H new ATOM 0 HB VAL A 697 1.455 1.978 6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 697 -0.827 2.554 7.076 1.00 0.00 H new ATOM 0 HG12 VAL A 697 -0.111 1.218 8.009 1.00 0.00 H new ATOM 0 HG13 VAL A 697 -0.156 2.859 8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 697 0.566 4.299 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 697 1.278 4.660 7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 697 2.333 4.281 6.319 1.00 0.00 H new ATOM 369 N GLN A 698 4.676 3.225 7.759 1.00 0.00 N ATOM 370 CA GLN A 698 6.068 3.150 7.343 1.00 0.00 C ATOM 371 C GLN A 698 6.745 2.053 8.160 1.00 0.00 C ATOM 372 O GLN A 698 7.578 1.303 7.663 1.00 0.00 O ATOM 373 CB GLN A 698 6.822 4.427 7.712 1.00 0.00 C ATOM 374 CG GLN A 698 6.227 5.756 7.285 1.00 0.00 C ATOM 375 CD GLN A 698 7.069 6.888 7.861 1.00 0.00 C ATOM 376 OE1 GLN A 698 8.198 6.682 8.300 1.00 0.00 O ATOM 377 NE2 GLN A 698 6.537 8.102 7.873 1.00 0.00 N ATOM 0 H GLN A 698 4.425 4.065 8.280 1.00 0.00 H new ATOM 0 HA GLN A 698 6.088 2.979 6.267 1.00 0.00 H new ATOM 0 HB2 GLN A 698 6.936 4.446 8.796 1.00 0.00 H new ATOM 0 HB3 GLN A 698 7.823 4.358 7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 698 6.200 5.824 6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 698 5.198 5.837 7.635 1.00 0.00 H new ATOM 0 HE21 GLN A 698 5.598 8.251 7.503 1.00 0.00 H new ATOM 0 HE22 GLN A 698 7.067 8.887 8.252 1.00 0.00 H new ATOM 386 N LYS A 699 6.355 1.985 9.437 1.00 0.00 N ATOM 387 CA LYS A 699 6.938 1.130 10.452 1.00 0.00 C ATOM 388 C LYS A 699 6.515 -0.314 10.208 1.00 0.00 C ATOM 389 O LYS A 699 7.231 -1.252 10.554 1.00 0.00 O ATOM 390 CB LYS A 699 6.513 1.676 11.830 1.00 0.00 C ATOM 391 CG LYS A 699 5.119 1.220 12.288 1.00 0.00 C ATOM 392 CD LYS A 699 4.622 2.010 13.505 1.00 0.00 C ATOM 393 CE LYS A 699 5.745 2.343 14.484 1.00 0.00 C ATOM 394 NZ LYS A 699 5.210 2.918 15.731 1.00 0.00 N ATOM 0 H LYS A 699 5.589 2.554 9.798 1.00 0.00 H new ATOM 0 HA LYS A 699 8.027 1.134 10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 699 7.247 1.364 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 699 6.534 2.765 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 699 4.412 1.338 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 699 5.148 0.158 12.533 1.00 0.00 H new ATOM 0 HD2 LYS A 699 4.153 2.934 13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 699 3.854 1.433 14.020 1.00 0.00 H new ATOM 0 HE2 LYS A 699 6.313 1.441 14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 699 6.437 3.048 14.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 699 5.625 3.859 15.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 699 4.176 3.003 15.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 699 5.451 2.298 16.530 1.00 0.00 H new ATOM 408 N GLU A 700 5.339 -0.491 9.604 1.00 0.00 N ATOM 409 CA GLU A 700 4.870 -1.812 9.238 1.00 0.00 C ATOM 410 C GLU A 700 5.696 -2.270 8.046 1.00 0.00 C ATOM 411 O GLU A 700 6.013 -3.449 7.930 1.00 0.00 O ATOM 412 CB GLU A 700 3.390 -1.761 8.864 1.00 0.00 C ATOM 413 CG GLU A 700 2.516 -1.594 10.106 1.00 0.00 C ATOM 414 CD GLU A 700 1.027 -1.636 9.762 1.00 0.00 C ATOM 415 OE1 GLU A 700 0.681 -1.353 8.591 1.00 0.00 O ATOM 416 OE2 GLU A 700 0.240 -1.957 10.679 1.00 0.00 O ATOM 0 H GLU A 700 4.701 0.267 9.362 1.00 0.00 H new ATOM 0 HA GLU A 700 4.980 -2.505 10.072 1.00 0.00 H new ATOM 0 HB2 GLU A 700 3.213 -0.933 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 700 3.112 -2.675 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 700 2.746 -2.384 10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 700 2.751 -0.646 10.591 1.00 0.00 H new ATOM 423 N LEU A 701 6.039 -1.324 7.168 1.00 0.00 N ATOM 424 CA LEU A 701 6.904 -1.567 6.030 1.00 0.00 C ATOM 425 C LEU A 701 8.313 -1.931 6.507 1.00 0.00 C ATOM 426 O LEU A 701 8.971 -2.783 5.915 1.00 0.00 O ATOM 427 CB LEU A 701 6.925 -0.303 5.164 1.00 0.00 C ATOM 428 CG LEU A 701 6.326 -0.546 3.779 1.00 0.00 C ATOM 429 CD1 LEU A 701 4.839 -0.889 3.892 1.00 0.00 C ATOM 430 CD2 LEU A 701 6.465 0.724 2.942 1.00 0.00 C ATOM 0 H LEU A 701 5.716 -0.359 7.236 1.00 0.00 H new ATOM 0 HA LEU A 701 6.530 -2.404 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 701 6.369 0.489 5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 701 7.952 0.047 5.058 1.00 0.00 H new ATOM 0 HG LEU A 701 6.855 -1.376 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 701 4.428 -1.059 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 701 4.718 -1.790 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 701 4.310 -0.063 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 701 6.039 0.556 1.953 1.00 0.00 H new ATOM 0 HD22 LEU A 701 5.936 1.542 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 701 7.520 0.982 2.844 1.00 0.00 H new ATOM 442 N MET A 702 8.783 -1.297 7.583 1.00 0.00 N ATOM 443 CA MET A 702 10.088 -1.607 8.158 1.00 0.00 C ATOM 444 C MET A 702 10.088 -2.986 8.814 1.00 0.00 C ATOM 445 O MET A 702 11.157 -3.535 9.069 1.00 0.00 O ATOM 446 CB MET A 702 10.466 -0.558 9.212 1.00 0.00 C ATOM 447 CG MET A 702 10.630 0.861 8.663 1.00 0.00 C ATOM 448 SD MET A 702 12.212 1.235 7.858 1.00 0.00 S ATOM 449 CE MET A 702 11.928 0.539 6.212 1.00 0.00 C ATOM 0 H MET A 702 8.274 -0.562 8.074 1.00 0.00 H new ATOM 0 HA MET A 702 10.816 -1.599 7.346 1.00 0.00 H new ATOM 0 HB2 MET A 702 9.700 -0.548 9.988 1.00 0.00 H new ATOM 0 HB3 MET A 702 11.399 -0.860 9.689 1.00 0.00 H new ATOM 0 HG2 MET A 702 9.830 1.045 7.946 1.00 0.00 H new ATOM 0 HG3 MET A 702 10.490 1.564 9.484 1.00 0.00 H new ATOM 0 HE1 MET A 702 12.541 1.068 5.482 1.00 0.00 H new ATOM 0 HE2 MET A 702 12.196 -0.518 6.213 1.00 0.00 H new ATOM 0 HE3 MET A 702 10.876 0.647 5.948 1.00 0.00 H new ATOM 459 N ALA A 703 8.908 -3.555 9.090 1.00 0.00 N ATOM 460 CA ALA A 703 8.807 -4.887 9.672 1.00 0.00 C ATOM 461 C ALA A 703 8.427 -5.910 8.606 1.00 0.00 C ATOM 462 O ALA A 703 8.571 -7.117 8.808 1.00 0.00 O ATOM 463 CB ALA A 703 7.729 -4.867 10.750 1.00 0.00 C ATOM 0 H ALA A 703 8.009 -3.106 8.916 1.00 0.00 H new ATOM 0 HA ALA A 703 9.771 -5.166 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 703 7.641 -5.858 11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 703 7.999 -4.145 11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 703 6.775 -4.584 10.305 1.00 0.00 H new ATOM 469 N GLU A 704 7.938 -5.422 7.468 1.00 0.00 N ATOM 470 CA GLU A 704 7.451 -6.206 6.377 1.00 0.00 C ATOM 471 C GLU A 704 8.627 -6.653 5.528 1.00 0.00 C ATOM 472 O GLU A 704 8.569 -7.678 4.857 1.00 0.00 O ATOM 473 CB GLU A 704 6.559 -5.264 5.573 1.00 0.00 C ATOM 474 CG GLU A 704 6.103 -5.986 4.337 1.00 0.00 C ATOM 475 CD GLU A 704 5.031 -5.192 3.595 1.00 0.00 C ATOM 476 OE1 GLU A 704 3.858 -5.262 4.028 1.00 0.00 O ATOM 477 OE2 GLU A 704 5.397 -4.526 2.604 1.00 0.00 O ATOM 0 H GLU A 704 7.875 -4.419 7.291 1.00 0.00 H new ATOM 0 HA GLU A 704 6.910 -7.093 6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 704 5.701 -4.953 6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 704 7.106 -4.360 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 704 6.954 -6.156 3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 704 5.710 -6.965 4.609 1.00 0.00 H new ATOM 484 N TRP A 705 9.699 -5.861 5.575 1.00 0.00 N ATOM 485 CA TRP A 705 10.878 -6.061 4.767 1.00 0.00 C ATOM 486 C TRP A 705 11.826 -6.988 5.509 1.00 0.00 C ATOM 487 O TRP A 705 12.570 -7.755 4.906 1.00 0.00 O ATOM 488 CB TRP A 705 11.497 -4.687 4.553 1.00 0.00 C ATOM 489 CG TRP A 705 10.736 -3.795 3.629 1.00 0.00 C ATOM 490 CD1 TRP A 705 9.624 -4.133 2.939 1.00 0.00 C ATOM 491 CD2 TRP A 705 11.010 -2.407 3.270 1.00 0.00 C ATOM 492 NE1 TRP A 705 9.203 -3.064 2.184 1.00 0.00 N ATOM 493 CE2 TRP A 705 10.022 -1.968 2.347 1.00 0.00 C ATOM 494 CE3 TRP A 705 12.001 -1.477 3.633 1.00 0.00 C ATOM 495 CZ2 TRP A 705 10.019 -0.676 1.810 1.00 0.00 C ATOM 496 CZ3 TRP A 705 12.024 -0.188 3.078 1.00 0.00 C ATOM 497 CH2 TRP A 705 11.038 0.213 2.169 1.00 0.00 C ATOM 0 H TRP A 705 9.762 -5.050 6.191 1.00 0.00 H new ATOM 0 HA TRP A 705 10.651 -6.518 3.804 1.00 0.00 H new ATOM 0 HB2 TRP A 705 11.590 -4.191 5.519 1.00 0.00 H new ATOM 0 HB3 TRP A 705 12.506 -4.816 4.162 1.00 0.00 H new ATOM 0 HD1 TRP A 705 9.139 -5.097 2.975 1.00 0.00 H new ATOM 0 HE1 TRP A 705 8.384 -3.080 1.577 1.00 0.00 H new ATOM 0 HE3 TRP A 705 12.757 -1.760 4.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 705 9.240 -0.369 1.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 705 12.809 0.500 3.355 1.00 0.00 H new ATOM 0 HH2 TRP A 705 11.064 1.206 1.746 1.00 0.00 H new ATOM 575 N MET B 1 -11.749 12.240 -16.525 1.00 0.00 N ATOM 576 CA MET B 1 -12.031 11.623 -15.213 1.00 0.00 C ATOM 577 C MET B 1 -11.075 10.474 -14.933 1.00 0.00 C ATOM 578 O MET B 1 -11.239 9.388 -15.476 1.00 0.00 O ATOM 579 CB MET B 1 -13.475 11.125 -15.148 1.00 0.00 C ATOM 580 CG MET B 1 -13.680 10.212 -13.938 1.00 0.00 C ATOM 581 SD MET B 1 -13.190 10.934 -12.346 1.00 0.00 S ATOM 582 CE MET B 1 -14.459 12.219 -12.192 1.00 0.00 C ATOM 0 H1 MET B 1 -12.415 13.021 -16.692 1.00 0.00 H new ATOM 0 H2 MET B 1 -10.776 12.607 -16.534 1.00 0.00 H new ATOM 0 H3 MET B 1 -11.857 11.527 -17.274 1.00 0.00 H new ATOM 0 HA MET B 1 -11.887 12.388 -14.450 1.00 0.00 H new ATOM 0 HB2 MET B 1 -14.155 11.975 -15.088 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.720 10.585 -16.063 1.00 0.00 H new ATOM 0 HG2 MET B 1 -14.732 9.933 -13.886 1.00 0.00 H new ATOM 0 HG3 MET B 1 -13.114 9.294 -14.094 1.00 0.00 H new ATOM 0 HE1 MET B 1 -14.376 12.697 -11.216 1.00 0.00 H new ATOM 0 HE2 MET B 1 -14.318 12.965 -12.974 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.447 11.769 -12.293 1.00 0.00 H new ATOM 594 N GLN B 2 -10.083 10.724 -14.083 1.00 0.00 N ATOM 595 CA GLN B 2 -9.110 9.740 -13.647 1.00 0.00 C ATOM 596 C GLN B 2 -8.314 10.291 -12.465 1.00 0.00 C ATOM 597 O GLN B 2 -8.215 11.509 -12.313 1.00 0.00 O ATOM 598 CB GLN B 2 -8.190 9.428 -14.831 1.00 0.00 C ATOM 599 CG GLN B 2 -7.729 10.719 -15.512 1.00 0.00 C ATOM 600 CD GLN B 2 -6.826 10.502 -16.723 1.00 0.00 C ATOM 601 OE1 GLN B 2 -5.968 11.330 -17.007 1.00 0.00 O ATOM 602 NE2 GLN B 2 -6.995 9.400 -17.447 1.00 0.00 N ATOM 0 H GLN B 2 -9.934 11.644 -13.670 1.00 0.00 H new ATOM 0 HA GLN B 2 -9.604 8.826 -13.319 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.324 8.863 -14.486 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.715 8.799 -15.550 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.607 11.285 -15.825 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -7.198 11.331 -14.783 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -7.716 8.726 -17.190 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -6.403 9.228 -18.260 1.00 0.00 H new ATOM 611 N ILE B 3 -7.743 9.413 -11.633 1.00 0.00 N ATOM 612 CA ILE B 3 -6.937 9.834 -10.490 1.00 0.00 C ATOM 613 C ILE B 3 -5.483 9.424 -10.697 1.00 0.00 C ATOM 614 O ILE B 3 -5.195 8.500 -11.454 1.00 0.00 O ATOM 615 CB ILE B 3 -7.499 9.312 -9.150 1.00 0.00 C ATOM 616 CG1 ILE B 3 -7.074 7.873 -8.829 1.00 0.00 C ATOM 617 CG2 ILE B 3 -9.026 9.417 -9.054 1.00 0.00 C ATOM 618 CD1 ILE B 3 -7.608 6.834 -9.813 1.00 0.00 C ATOM 0 H ILE B 3 -7.827 8.402 -11.734 1.00 0.00 H new ATOM 0 HA ILE B 3 -6.983 10.921 -10.429 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.056 9.975 -8.406 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.985 7.821 -8.816 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -7.417 7.619 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -9.357 9.034 -8.089 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -9.326 10.460 -9.153 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -9.482 8.832 -9.852 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -7.264 5.843 -9.518 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -8.698 6.856 -9.809 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -7.244 7.061 -10.815 1.00 0.00 H new ATOM 630 N PHE B 4 -4.570 10.122 -10.015 1.00 0.00 N ATOM 631 CA PHE B 4 -3.137 9.931 -10.182 1.00 0.00 C ATOM 632 C PHE B 4 -2.603 9.163 -8.980 1.00 0.00 C ATOM 633 O PHE B 4 -2.204 9.755 -7.980 1.00 0.00 O ATOM 634 CB PHE B 4 -2.425 11.276 -10.282 1.00 0.00 C ATOM 635 CG PHE B 4 -2.603 12.057 -11.572 1.00 0.00 C ATOM 636 CD1 PHE B 4 -3.818 12.045 -12.271 1.00 0.00 C ATOM 637 CD2 PHE B 4 -1.527 12.805 -12.077 1.00 0.00 C ATOM 638 CE1 PHE B 4 -3.950 12.750 -13.471 1.00 0.00 C ATOM 639 CE2 PHE B 4 -1.662 13.521 -13.271 1.00 0.00 C ATOM 640 CZ PHE B 4 -2.875 13.493 -13.973 1.00 0.00 C ATOM 0 H PHE B 4 -4.812 10.838 -9.329 1.00 0.00 H new ATOM 0 HA PHE B 4 -2.954 9.373 -11.101 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -2.766 11.902 -9.457 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -1.359 11.106 -10.133 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -4.657 11.488 -11.880 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -0.590 12.828 -11.540 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -4.884 12.721 -14.012 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -0.831 14.096 -13.652 1.00 0.00 H new ATOM 0 HZ PHE B 4 -2.980 14.042 -14.897 1.00 0.00 H new ATOM 650 N VAL B 5 -2.599 7.841 -9.075 1.00 0.00 N ATOM 651 CA VAL B 5 -2.149 6.988 -7.988 1.00 0.00 C ATOM 652 C VAL B 5 -0.630 6.881 -8.050 1.00 0.00 C ATOM 653 O VAL B 5 -0.088 6.290 -8.985 1.00 0.00 O ATOM 654 CB VAL B 5 -2.795 5.605 -8.092 1.00 0.00 C ATOM 655 CG1 VAL B 5 -2.491 4.829 -6.812 1.00 0.00 C ATOM 656 CG2 VAL B 5 -4.310 5.708 -8.259 1.00 0.00 C ATOM 0 H VAL B 5 -2.906 7.333 -9.904 1.00 0.00 H new ATOM 0 HA VAL B 5 -2.445 7.420 -7.032 1.00 0.00 H new ATOM 0 HB VAL B 5 -2.388 5.097 -8.966 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -2.945 3.840 -6.870 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -1.412 4.727 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -2.899 5.366 -5.956 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -4.737 4.708 -8.330 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -4.737 6.225 -7.399 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -4.539 6.265 -9.167 1.00 0.00 H new ATOM 666 N LYS B 6 0.061 7.451 -7.062 1.00 0.00 N ATOM 667 CA LYS B 6 1.507 7.486 -7.042 1.00 0.00 C ATOM 668 C LYS B 6 2.051 6.287 -6.279 1.00 0.00 C ATOM 669 O LYS B 6 1.800 6.120 -5.087 1.00 0.00 O ATOM 670 CB LYS B 6 1.941 8.809 -6.427 1.00 0.00 C ATOM 671 CG LYS B 6 3.440 8.993 -6.678 1.00 0.00 C ATOM 672 CD LYS B 6 3.965 10.251 -5.995 1.00 0.00 C ATOM 673 CE LYS B 6 4.200 9.955 -4.518 1.00 0.00 C ATOM 674 NZ LYS B 6 4.801 11.111 -3.825 1.00 0.00 N ATOM 0 H LYS B 6 -0.375 7.899 -6.256 1.00 0.00 H new ATOM 0 HA LYS B 6 1.911 7.421 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS B 6 1.379 9.633 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS B 6 1.732 8.816 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS B 6 3.982 8.123 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS B 6 3.627 9.054 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS B 6 4.893 10.575 -6.466 1.00 0.00 H new ATOM 0 HD3 LYS B 6 3.250 11.066 -6.106 1.00 0.00 H new ATOM 0 HE2 LYS B 6 3.254 9.696 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS B 6 4.855 9.089 -4.419 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 4.948 10.877 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 5.715 11.342 -4.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 4.164 11.930 -3.899 1.00 0.00 H new ATOM 688 N THR B 7 2.801 5.453 -6.994 1.00 0.00 N ATOM 689 CA THR B 7 3.385 4.231 -6.462 1.00 0.00 C ATOM 690 C THR B 7 4.567 4.545 -5.545 1.00 0.00 C ATOM 691 O THR B 7 4.995 5.693 -5.435 1.00 0.00 O ATOM 692 CB THR B 7 3.800 3.320 -7.624 1.00 0.00 C ATOM 693 OG1 THR B 7 3.961 2.002 -7.147 1.00 0.00 O ATOM 694 CG2 THR B 7 5.113 3.773 -8.241 1.00 0.00 C ATOM 0 H THR B 7 3.022 5.613 -7.977 1.00 0.00 H new ATOM 0 HA THR B 7 2.643 3.710 -5.857 1.00 0.00 H new ATOM 0 HB THR B 7 3.020 3.366 -8.384 1.00 0.00 H new ATOM 0 HG1 THR B 7 4.225 1.416 -7.887 1.00 0.00 H new ATOM 0 HG21 THR B 7 5.379 3.106 -9.061 1.00 0.00 H new ATOM 0 HG22 THR B 7 5.006 4.789 -8.620 1.00 0.00 H new ATOM 0 HG23 THR B 7 5.898 3.749 -7.485 1.00 0.00 H new ATOM 702 N LEU B 8 5.081 3.505 -4.895 1.00 0.00 N ATOM 703 CA LEU B 8 6.163 3.581 -3.913 1.00 0.00 C ATOM 704 C LEU B 8 7.532 3.921 -4.529 1.00 0.00 C ATOM 705 O LEU B 8 8.558 3.682 -3.895 1.00 0.00 O ATOM 706 CB LEU B 8 6.223 2.254 -3.156 1.00 0.00 C ATOM 707 CG LEU B 8 5.019 2.028 -2.238 1.00 0.00 C ATOM 708 CD1 LEU B 8 5.143 0.645 -1.607 1.00 0.00 C ATOM 709 CD2 LEU B 8 4.973 3.068 -1.121 1.00 0.00 C ATOM 0 H LEU B 8 4.746 2.553 -5.041 1.00 0.00 H new ATOM 0 HA LEU B 8 5.940 4.404 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU B 8 6.283 1.436 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU B 8 7.136 2.223 -2.561 1.00 0.00 H new ATOM 0 HG LEU B 8 4.108 2.113 -2.831 1.00 0.00 H new ATOM 0 HD11 LEU B 8 4.292 0.468 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU B 8 5.160 -0.112 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU B 8 6.066 0.590 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU B 8 4.107 2.881 -0.486 1.00 0.00 H new ATOM 0 HD22 LEU B 8 5.882 3.001 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.896 4.065 -1.555 1.00 0.00 H new ATOM 721 N THR B 9 7.569 4.473 -5.746 1.00 0.00 N ATOM 722 CA THR B 9 8.814 4.887 -6.391 1.00 0.00 C ATOM 723 C THR B 9 8.701 6.305 -6.958 1.00 0.00 C ATOM 724 O THR B 9 9.627 6.784 -7.610 1.00 0.00 O ATOM 725 CB THR B 9 9.206 3.906 -7.499 1.00 0.00 C ATOM 726 OG1 THR B 9 8.224 3.922 -8.514 1.00 0.00 O ATOM 727 CG2 THR B 9 9.343 2.484 -6.957 1.00 0.00 C ATOM 0 H THR B 9 6.736 4.644 -6.309 1.00 0.00 H new ATOM 0 HA THR B 9 9.594 4.885 -5.630 1.00 0.00 H new ATOM 0 HB THR B 9 10.170 4.218 -7.901 1.00 0.00 H new ATOM 0 HG1 THR B 9 8.477 3.295 -9.224 1.00 0.00 H new ATOM 0 HG21 THR B 9 9.622 1.811 -7.768 1.00 0.00 H new ATOM 0 HG22 THR B 9 10.113 2.461 -6.185 1.00 0.00 H new ATOM 0 HG23 THR B 9 8.392 2.164 -6.531 1.00 0.00 H new ATOM 735 N GLY B 10 7.573 6.983 -6.710 1.00 0.00 N ATOM 736 CA GLY B 10 7.357 8.356 -7.148 1.00 0.00 C ATOM 737 C GLY B 10 6.711 8.418 -8.528 1.00 0.00 C ATOM 738 O GLY B 10 6.427 9.505 -9.032 1.00 0.00 O ATOM 0 H GLY B 10 6.785 6.587 -6.197 1.00 0.00 H new ATOM 0 HA2 GLY B 10 6.723 8.872 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY B 10 8.310 8.884 -7.169 1.00 0.00 H new ATOM 742 N LYS B 11 6.480 7.255 -9.143 1.00 0.00 N ATOM 743 CA LYS B 11 5.836 7.138 -10.437 1.00 0.00 C ATOM 744 C LYS B 11 4.331 7.209 -10.228 1.00 0.00 C ATOM 745 O LYS B 11 3.840 6.886 -9.149 1.00 0.00 O ATOM 746 CB LYS B 11 6.309 5.818 -11.064 1.00 0.00 C ATOM 747 CG LYS B 11 5.506 5.339 -12.271 1.00 0.00 C ATOM 748 CD LYS B 11 4.343 4.432 -11.851 1.00 0.00 C ATOM 749 CE LYS B 11 3.581 3.934 -13.079 1.00 0.00 C ATOM 750 NZ LYS B 11 4.426 3.085 -13.942 1.00 0.00 N ATOM 0 H LYS B 11 6.744 6.356 -8.740 1.00 0.00 H new ATOM 0 HA LYS B 11 6.098 7.945 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS B 11 7.351 5.931 -11.364 1.00 0.00 H new ATOM 0 HB3 LYS B 11 6.280 5.042 -10.299 1.00 0.00 H new ATOM 0 HG2 LYS B 11 5.118 6.200 -12.816 1.00 0.00 H new ATOM 0 HG3 LYS B 11 6.162 4.798 -12.954 1.00 0.00 H new ATOM 0 HD2 LYS B 11 4.723 3.583 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS B 11 3.667 4.979 -11.193 1.00 0.00 H new ATOM 0 HE2 LYS B 11 2.705 3.369 -12.759 1.00 0.00 H new ATOM 0 HE3 LYS B 11 3.218 4.787 -13.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 4.623 3.584 -14.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 5.322 2.878 -13.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 3.929 2.194 -14.146 1.00 0.00 H new ATOM 764 N THR B 12 3.595 7.627 -11.254 1.00 0.00 N ATOM 765 CA THR B 12 2.164 7.843 -11.147 1.00 0.00 C ATOM 766 C THR B 12 1.434 6.972 -12.152 1.00 0.00 C ATOM 767 O THR B 12 1.921 6.723 -13.254 1.00 0.00 O ATOM 768 CB THR B 12 1.878 9.328 -11.376 1.00 0.00 C ATOM 769 OG1 THR B 12 2.499 10.079 -10.356 1.00 0.00 O ATOM 770 CG2 THR B 12 0.384 9.634 -11.357 1.00 0.00 C ATOM 0 H THR B 12 3.977 7.824 -12.179 1.00 0.00 H new ATOM 0 HA THR B 12 1.808 7.565 -10.155 1.00 0.00 H new ATOM 0 HB THR B 12 2.269 9.592 -12.359 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.321 11.032 -10.497 1.00 0.00 H new ATOM 0 HG21 THR B 12 0.229 10.700 -11.524 1.00 0.00 H new ATOM 0 HG22 THR B 12 -0.113 9.067 -12.144 1.00 0.00 H new ATOM 0 HG23 THR B 12 -0.033 9.354 -10.390 1.00 0.00 H new ATOM 778 N ILE B 13 0.255 6.513 -11.746 1.00 0.00 N ATOM 779 CA ILE B 13 -0.618 5.678 -12.545 1.00 0.00 C ATOM 780 C ILE B 13 -1.903 6.476 -12.721 1.00 0.00 C ATOM 781 O ILE B 13 -2.339 7.140 -11.782 1.00 0.00 O ATOM 782 CB ILE B 13 -0.887 4.364 -11.794 1.00 0.00 C ATOM 783 CG1 ILE B 13 0.405 3.727 -11.266 1.00 0.00 C ATOM 784 CG2 ILE B 13 -1.593 3.387 -12.734 1.00 0.00 C ATOM 785 CD1 ILE B 13 0.114 2.656 -10.213 1.00 0.00 C ATOM 0 H ILE B 13 -0.126 6.721 -10.823 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.183 5.421 -13.511 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.516 4.590 -10.933 1.00 0.00 H new ATOM 0 HG12 ILE B 13 0.958 3.283 -12.094 1.00 0.00 H new ATOM 0 HG13 ILE B 13 1.042 4.499 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.787 2.452 -12.208 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -2.537 3.819 -13.066 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -0.959 3.192 -13.599 1.00 0.00 H new ATOM 0 HD11 ILE B 13 1.052 2.227 -9.862 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -0.416 3.106 -9.373 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -0.502 1.871 -10.653 1.00 0.00 H new ATOM 797 N THR B 14 -2.516 6.426 -13.902 1.00 0.00 N ATOM 798 CA THR B 14 -3.678 7.262 -14.169 1.00 0.00 C ATOM 799 C THR B 14 -4.753 6.437 -14.855 1.00 0.00 C ATOM 800 O THR B 14 -4.578 5.970 -15.980 1.00 0.00 O ATOM 801 CB THR B 14 -3.292 8.490 -14.995 1.00 0.00 C ATOM 802 OG1 THR B 14 -2.137 9.104 -14.459 1.00 0.00 O ATOM 803 CG2 THR B 14 -4.436 9.495 -14.947 1.00 0.00 C ATOM 0 H THR B 14 -2.232 5.825 -14.676 1.00 0.00 H new ATOM 0 HA THR B 14 -4.078 7.629 -13.224 1.00 0.00 H new ATOM 0 HB THR B 14 -3.091 8.176 -16.019 1.00 0.00 H new ATOM 0 HG1 THR B 14 -1.902 9.887 -14.999 1.00 0.00 H new ATOM 0 HG21 THR B 14 -4.172 10.375 -15.533 1.00 0.00 H new ATOM 0 HG22 THR B 14 -5.337 9.041 -15.360 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.619 9.789 -13.913 1.00 0.00 H new ATOM 811 N LEU B 15 -5.869 6.266 -14.145 1.00 0.00 N ATOM 812 CA LEU B 15 -6.960 5.372 -14.496 1.00 0.00 C ATOM 813 C LEU B 15 -8.270 6.045 -14.145 1.00 0.00 C ATOM 814 O LEU B 15 -8.366 6.795 -13.174 1.00 0.00 O ATOM 815 CB LEU B 15 -6.813 4.057 -13.707 1.00 0.00 C ATOM 816 CG LEU B 15 -6.462 4.346 -12.237 1.00 0.00 C ATOM 817 CD1 LEU B 15 -7.154 3.372 -11.300 1.00 0.00 C ATOM 818 CD2 LEU B 15 -4.958 4.214 -11.997 1.00 0.00 C ATOM 0 H LEU B 15 -6.039 6.770 -13.275 1.00 0.00 H new ATOM 0 HA LEU B 15 -6.939 5.149 -15.563 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -7.742 3.489 -13.760 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -6.036 3.440 -14.158 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.795 5.364 -12.035 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -6.884 3.604 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.234 3.456 -11.420 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.841 2.355 -11.536 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -4.737 4.423 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -4.638 3.201 -12.240 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -4.425 4.924 -12.629 1.00 0.00 H new ATOM 830 N GLU B 16 -9.282 5.765 -14.956 1.00 0.00 N ATOM 831 CA GLU B 16 -10.552 6.425 -14.839 1.00 0.00 C ATOM 832 C GLU B 16 -11.438 5.656 -13.884 1.00 0.00 C ATOM 833 O GLU B 16 -11.366 4.430 -13.794 1.00 0.00 O ATOM 834 CB GLU B 16 -11.234 6.452 -16.196 1.00 0.00 C ATOM 835 CG GLU B 16 -10.322 7.063 -17.257 1.00 0.00 C ATOM 836 CD GLU B 16 -9.120 6.193 -17.623 1.00 0.00 C ATOM 837 OE1 GLU B 16 -9.323 4.979 -17.849 1.00 0.00 O ATOM 838 OE2 GLU B 16 -8.003 6.757 -17.672 1.00 0.00 O ATOM 0 H GLU B 16 -9.235 5.076 -15.706 1.00 0.00 H new ATOM 0 HA GLU B 16 -10.392 7.439 -14.472 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -11.509 5.439 -16.488 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.158 7.027 -16.131 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -10.907 7.253 -18.157 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -9.963 8.028 -16.900 1.00 0.00 H new ATOM 845 N VAL B 17 -12.277 6.393 -13.169 1.00 0.00 N ATOM 846 CA VAL B 17 -13.152 5.800 -12.171 1.00 0.00 C ATOM 847 C VAL B 17 -14.275 6.755 -11.794 1.00 0.00 C ATOM 848 O VAL B 17 -14.314 7.897 -12.241 1.00 0.00 O ATOM 849 CB VAL B 17 -12.313 5.358 -10.965 1.00 0.00 C ATOM 850 CG1 VAL B 17 -11.554 6.526 -10.339 1.00 0.00 C ATOM 851 CG2 VAL B 17 -13.103 4.587 -9.917 1.00 0.00 C ATOM 0 H VAL B 17 -12.369 7.404 -13.263 1.00 0.00 H new ATOM 0 HA VAL B 17 -13.638 4.915 -12.582 1.00 0.00 H new ATOM 0 HB VAL B 17 -11.582 4.656 -11.366 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -10.973 6.169 -9.489 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -10.883 6.962 -11.079 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -12.263 7.282 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -12.443 4.309 -9.096 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -13.911 5.213 -9.537 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -13.522 3.687 -10.367 1.00 0.00 H new ATOM 861 N GLU B 18 -15.192 6.265 -10.965 1.00 0.00 N ATOM 862 CA GLU B 18 -16.437 6.963 -10.674 1.00 0.00 C ATOM 863 C GLU B 18 -16.758 7.007 -9.181 1.00 0.00 C ATOM 864 O GLU B 18 -16.204 6.234 -8.402 1.00 0.00 O ATOM 865 CB GLU B 18 -17.556 6.205 -11.384 1.00 0.00 C ATOM 866 CG GLU B 18 -17.317 6.115 -12.887 1.00 0.00 C ATOM 867 CD GLU B 18 -17.374 7.473 -13.585 1.00 0.00 C ATOM 868 OE1 GLU B 18 -18.094 8.364 -13.082 1.00 0.00 O ATOM 869 OE2 GLU B 18 -16.693 7.610 -14.625 1.00 0.00 O ATOM 0 H GLU B 18 -15.092 5.375 -10.478 1.00 0.00 H new ATOM 0 HA GLU B 18 -16.341 7.994 -11.014 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -17.635 5.201 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -18.507 6.703 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -16.343 5.661 -13.067 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -18.063 5.454 -13.329 1.00 0.00 H new ATOM 876 N PRO B 19 -17.661 7.910 -8.773 1.00 0.00 N ATOM 877 CA PRO B 19 -18.130 8.015 -7.403 1.00 0.00 C ATOM 878 C PRO B 19 -19.051 6.854 -7.034 1.00 0.00 C ATOM 879 O PRO B 19 -19.595 6.831 -5.930 1.00 0.00 O ATOM 880 CB PRO B 19 -18.879 9.338 -7.318 1.00 0.00 C ATOM 881 CG PRO B 19 -19.340 9.600 -8.750 1.00 0.00 C ATOM 882 CD PRO B 19 -18.298 8.901 -9.621 1.00 0.00 C ATOM 0 HA PRO B 19 -17.295 7.976 -6.704 1.00 0.00 H new ATOM 0 HB2 PRO B 19 -19.724 9.274 -6.633 1.00 0.00 H new ATOM 0 HB3 PRO B 19 -18.234 10.138 -6.954 1.00 0.00 H new ATOM 0 HG2 PRO B 19 -20.338 9.198 -8.925 1.00 0.00 H new ATOM 0 HG3 PRO B 19 -19.384 10.668 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO B 19 -18.766 8.431 -10.486 1.00 0.00 H new ATOM 0 HD3 PRO B 19 -17.568 9.614 -10.002 1.00 0.00 H new ATOM 890 N SER B 20 -19.229 5.896 -7.948 1.00 0.00 N ATOM 891 CA SER B 20 -20.034 4.713 -7.697 1.00 0.00 C ATOM 892 C SER B 20 -19.148 3.475 -7.719 1.00 0.00 C ATOM 893 O SER B 20 -19.604 2.378 -7.392 1.00 0.00 O ATOM 894 CB SER B 20 -21.162 4.607 -8.719 1.00 0.00 C ATOM 895 OG SER B 20 -21.970 5.764 -8.666 1.00 0.00 O ATOM 0 H SER B 20 -18.816 5.925 -8.880 1.00 0.00 H new ATOM 0 HA SER B 20 -20.491 4.792 -6.710 1.00 0.00 H new ATOM 0 HB2 SER B 20 -20.747 4.488 -9.720 1.00 0.00 H new ATOM 0 HB3 SER B 20 -21.765 3.722 -8.517 1.00 0.00 H new ATOM 0 HG SER B 20 -22.691 5.690 -9.326 1.00 0.00 H new ATOM 901 N ASP B 21 -17.878 3.641 -8.100 1.00 0.00 N ATOM 902 CA ASP B 21 -16.877 2.619 -7.932 1.00 0.00 C ATOM 903 C ASP B 21 -16.427 2.709 -6.482 1.00 0.00 C ATOM 904 O ASP B 21 -16.822 3.595 -5.726 1.00 0.00 O ATOM 905 CB ASP B 21 -15.705 2.852 -8.886 1.00 0.00 C ATOM 906 CG ASP B 21 -16.042 2.453 -10.322 1.00 0.00 C ATOM 907 OD1 ASP B 21 -17.159 2.779 -10.783 1.00 0.00 O ATOM 908 OD2 ASP B 21 -15.171 1.819 -10.957 1.00 0.00 O ATOM 0 H ASP B 21 -17.528 4.496 -8.533 1.00 0.00 H new ATOM 0 HA ASP B 21 -17.272 1.629 -8.161 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -15.421 3.904 -8.860 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -14.842 2.280 -8.545 1.00 0.00 H new ATOM 913 N THR B 22 -15.582 1.763 -6.108 1.00 0.00 N ATOM 914 CA THR B 22 -15.138 1.538 -4.745 1.00 0.00 C ATOM 915 C THR B 22 -13.631 1.323 -4.738 1.00 0.00 C ATOM 916 O THR B 22 -13.020 1.198 -5.798 1.00 0.00 O ATOM 917 CB THR B 22 -15.888 0.331 -4.176 1.00 0.00 C ATOM 918 OG1 THR B 22 -15.442 0.044 -2.869 1.00 0.00 O ATOM 919 CG2 THR B 22 -15.684 -0.914 -5.038 1.00 0.00 C ATOM 0 H THR B 22 -15.172 1.106 -6.772 1.00 0.00 H new ATOM 0 HA THR B 22 -15.354 2.402 -4.117 1.00 0.00 H new ATOM 0 HB THR B 22 -16.947 0.590 -4.166 1.00 0.00 H new ATOM 0 HG1 THR B 22 -15.828 0.691 -2.242 1.00 0.00 H new ATOM 0 HG21 THR B 22 -16.231 -1.751 -4.604 1.00 0.00 H new ATOM 0 HG22 THR B 22 -16.053 -0.723 -6.046 1.00 0.00 H new ATOM 0 HG23 THR B 22 -14.622 -1.157 -5.080 1.00 0.00 H new ATOM 927 N ILE B 23 -13.015 1.276 -3.558 1.00 0.00 N ATOM 928 CA ILE B 23 -11.584 1.064 -3.477 1.00 0.00 C ATOM 929 C ILE B 23 -11.211 -0.245 -4.175 1.00 0.00 C ATOM 930 O ILE B 23 -10.146 -0.339 -4.781 1.00 0.00 O ATOM 931 CB ILE B 23 -11.148 1.038 -2.012 1.00 0.00 C ATOM 932 CG1 ILE B 23 -11.609 2.275 -1.231 1.00 0.00 C ATOM 933 CG2 ILE B 23 -9.626 0.939 -1.958 1.00 0.00 C ATOM 934 CD1 ILE B 23 -11.270 3.601 -1.926 1.00 0.00 C ATOM 0 H ILE B 23 -13.484 1.381 -2.658 1.00 0.00 H new ATOM 0 HA ILE B 23 -11.068 1.882 -3.979 1.00 0.00 H new ATOM 0 HB ILE B 23 -11.617 0.174 -1.541 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -12.687 2.218 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -11.148 2.264 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -9.299 0.919 -0.918 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -9.303 0.025 -2.457 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -9.187 1.801 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -11.626 4.432 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -10.190 3.680 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -11.753 3.634 -2.902 1.00 0.00 H new ATOM 946 N GLU B 24 -12.081 -1.255 -4.099 1.00 0.00 N ATOM 947 CA GLU B 24 -11.836 -2.540 -4.739 1.00 0.00 C ATOM 948 C GLU B 24 -11.757 -2.394 -6.259 1.00 0.00 C ATOM 949 O GLU B 24 -11.015 -3.124 -6.914 1.00 0.00 O ATOM 950 CB GLU B 24 -12.943 -3.514 -4.323 1.00 0.00 C ATOM 951 CG GLU B 24 -12.891 -4.778 -5.177 1.00 0.00 C ATOM 952 CD GLU B 24 -13.771 -5.881 -4.591 1.00 0.00 C ATOM 953 OE1 GLU B 24 -15.011 -5.709 -4.617 1.00 0.00 O ATOM 954 OE2 GLU B 24 -13.198 -6.888 -4.119 1.00 0.00 O ATOM 0 H GLU B 24 -12.966 -1.202 -3.595 1.00 0.00 H new ATOM 0 HA GLU B 24 -10.873 -2.933 -4.414 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -12.830 -3.774 -3.271 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -13.916 -3.035 -4.430 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -13.219 -4.548 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -11.862 -5.130 -5.247 1.00 0.00 H new ATOM 961 N ASN B 25 -12.512 -1.454 -6.832 1.00 0.00 N ATOM 962 CA ASN B 25 -12.495 -1.182 -8.253 1.00 0.00 C ATOM 963 C ASN B 25 -11.237 -0.409 -8.613 1.00 0.00 C ATOM 964 O ASN B 25 -10.675 -0.614 -9.682 1.00 0.00 O ATOM 965 CB ASN B 25 -13.715 -0.328 -8.575 1.00 0.00 C ATOM 966 CG ASN B 25 -14.950 -1.150 -8.879 1.00 0.00 C ATOM 967 OD1 ASN B 25 -15.205 -2.185 -8.270 1.00 0.00 O ATOM 968 ND2 ASN B 25 -15.728 -0.677 -9.844 1.00 0.00 N ATOM 0 H ASN B 25 -13.155 -0.860 -6.309 1.00 0.00 H new ATOM 0 HA ASN B 25 -12.511 -2.114 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -13.923 0.331 -7.732 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -13.490 0.309 -9.430 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -16.577 -1.178 -10.106 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -15.477 0.188 -10.324 1.00 0.00 H new ATOM 975 N VAL B 26 -10.789 0.483 -7.727 1.00 0.00 N ATOM 976 CA VAL B 26 -9.573 1.240 -7.972 1.00 0.00 C ATOM 977 C VAL B 26 -8.383 0.288 -7.924 1.00 0.00 C ATOM 978 O VAL B 26 -7.427 0.465 -8.674 1.00 0.00 O ATOM 979 CB VAL B 26 -9.450 2.378 -6.955 1.00 0.00 C ATOM 980 CG1 VAL B 26 -8.164 3.173 -7.181 1.00 0.00 C ATOM 981 CG2 VAL B 26 -10.629 3.343 -7.114 1.00 0.00 C ATOM 0 H VAL B 26 -11.250 0.693 -6.842 1.00 0.00 H new ATOM 0 HA VAL B 26 -9.600 1.700 -8.960 1.00 0.00 H new ATOM 0 HB VAL B 26 -9.440 1.936 -5.959 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -8.099 3.976 -6.447 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -7.304 2.512 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -8.171 3.599 -8.184 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -10.538 4.151 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -10.626 3.758 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -11.563 2.807 -6.945 1.00 0.00 H new ATOM 991 N LYS B 27 -8.431 -0.728 -7.052 1.00 0.00 N ATOM 992 CA LYS B 27 -7.401 -1.756 -7.024 1.00 0.00 C ATOM 993 C LYS B 27 -7.439 -2.582 -8.306 1.00 0.00 C ATOM 994 O LYS B 27 -6.393 -2.998 -8.799 1.00 0.00 O ATOM 995 CB LYS B 27 -7.607 -2.682 -5.823 1.00 0.00 C ATOM 996 CG LYS B 27 -7.353 -1.985 -4.484 1.00 0.00 C ATOM 997 CD LYS B 27 -7.767 -2.924 -3.348 1.00 0.00 C ATOM 998 CE LYS B 27 -7.501 -2.285 -1.986 1.00 0.00 C ATOM 999 NZ LYS B 27 -8.009 -3.142 -0.897 1.00 0.00 N ATOM 0 H LYS B 27 -9.172 -0.853 -6.362 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.432 -1.264 -6.940 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -8.626 -3.068 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.940 -3.539 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.299 -1.722 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -7.920 -1.055 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -8.826 -3.167 -3.439 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -7.217 -3.862 -3.428 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.431 -2.123 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -7.980 -1.307 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -7.773 -2.714 0.021 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -9.042 -3.234 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -7.571 -4.083 -0.963 1.00 0.00 H new ATOM 1013 N ALA B 28 -8.635 -2.820 -8.849 1.00 0.00 N ATOM 1014 CA ALA B 28 -8.804 -3.599 -10.069 1.00 0.00 C ATOM 1015 C ALA B 28 -8.318 -2.820 -11.293 1.00 0.00 C ATOM 1016 O ALA B 28 -7.799 -3.414 -12.235 1.00 0.00 O ATOM 1017 CB ALA B 28 -10.292 -3.944 -10.214 1.00 0.00 C ATOM 0 H ALA B 28 -9.510 -2.477 -8.453 1.00 0.00 H new ATOM 0 HA ALA B 28 -8.208 -4.509 -10.005 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -10.443 -4.528 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -10.617 -4.525 -9.351 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -10.875 -3.025 -10.273 1.00 0.00 H new ATOM 1023 N LYS B 29 -8.479 -1.492 -11.286 1.00 0.00 N ATOM 1024 CA LYS B 29 -7.979 -0.638 -12.358 1.00 0.00 C ATOM 1025 C LYS B 29 -6.457 -0.546 -12.285 1.00 0.00 C ATOM 1026 O LYS B 29 -5.787 -0.494 -13.313 1.00 0.00 O ATOM 1027 CB LYS B 29 -8.598 0.752 -12.208 1.00 0.00 C ATOM 1028 CG LYS B 29 -10.095 0.728 -12.508 1.00 0.00 C ATOM 1029 CD LYS B 29 -10.805 1.886 -11.815 1.00 0.00 C ATOM 1030 CE LYS B 29 -12.313 1.675 -11.924 1.00 0.00 C ATOM 1031 NZ LYS B 29 -12.807 1.995 -13.277 1.00 0.00 N ATOM 0 H LYS B 29 -8.957 -0.986 -10.540 1.00 0.00 H new ATOM 0 HA LYS B 29 -8.253 -1.060 -13.325 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -8.434 1.118 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -8.101 1.449 -12.883 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -10.256 0.789 -13.584 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -10.522 -0.218 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -10.506 1.940 -10.768 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -10.522 2.832 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.555 0.640 -11.682 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.823 2.301 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -13.839 2.123 -13.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -12.359 2.872 -13.612 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -12.572 1.216 -13.925 1.00 0.00 H new ATOM 1045 N ILE B 30 -5.897 -0.532 -11.071 1.00 0.00 N ATOM 1046 CA ILE B 30 -4.452 -0.534 -10.884 1.00 0.00 C ATOM 1047 C ILE B 30 -3.892 -1.915 -11.219 1.00 0.00 C ATOM 1048 O ILE B 30 -2.749 -2.036 -11.654 1.00 0.00 O ATOM 1049 CB ILE B 30 -4.131 -0.145 -9.438 1.00 0.00 C ATOM 1050 CG1 ILE B 30 -4.504 1.327 -9.231 1.00 0.00 C ATOM 1051 CG2 ILE B 30 -2.645 -0.350 -9.124 1.00 0.00 C ATOM 1052 CD1 ILE B 30 -4.545 1.667 -7.743 1.00 0.00 C ATOM 0 H ILE B 30 -6.431 -0.519 -10.202 1.00 0.00 H new ATOM 0 HA ILE B 30 -3.987 0.192 -11.551 1.00 0.00 H new ATOM 0 HB ILE B 30 -4.706 -0.782 -8.766 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -3.779 1.966 -9.736 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -5.475 1.529 -9.683 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.449 -0.065 -8.090 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -2.384 -1.399 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.044 0.268 -9.791 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -4.812 2.716 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -5.288 1.042 -7.247 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -3.565 1.486 -7.301 1.00 0.00 H new ATOM 1064 N GLN B 31 -4.695 -2.964 -11.023 1.00 0.00 N ATOM 1065 CA GLN B 31 -4.296 -4.312 -11.385 1.00 0.00 C ATOM 1066 C GLN B 31 -4.244 -4.455 -12.909 1.00 0.00 C ATOM 1067 O GLN B 31 -3.690 -5.411 -13.445 1.00 0.00 O ATOM 1068 CB GLN B 31 -5.260 -5.320 -10.755 1.00 0.00 C ATOM 1069 CG GLN B 31 -4.723 -6.699 -11.108 1.00 0.00 C ATOM 1070 CD GLN B 31 -5.226 -7.823 -10.220 1.00 0.00 C ATOM 1071 OE1 GLN B 31 -6.369 -7.826 -9.771 1.00 0.00 O ATOM 1072 NE2 GLN B 31 -4.352 -8.791 -9.968 1.00 0.00 N ATOM 0 H GLN B 31 -5.627 -2.897 -10.614 1.00 0.00 H new ATOM 0 HA GLN B 31 -3.296 -4.515 -11.001 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -5.311 -5.187 -9.674 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -6.271 -5.185 -11.141 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -4.989 -6.924 -12.141 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -3.634 -6.674 -11.057 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -3.413 -8.746 -10.363 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -4.620 -9.580 -9.379 1.00 0.00 H new ATOM 1081 N ASP B 32 -4.825 -3.491 -13.614 1.00 0.00 N ATOM 1082 CA ASP B 32 -4.804 -3.445 -15.066 1.00 0.00 C ATOM 1083 C ASP B 32 -3.591 -2.658 -15.543 1.00 0.00 C ATOM 1084 O ASP B 32 -2.958 -2.998 -16.539 1.00 0.00 O ATOM 1085 CB ASP B 32 -6.059 -2.712 -15.535 1.00 0.00 C ATOM 1086 CG ASP B 32 -6.549 -3.255 -16.876 1.00 0.00 C ATOM 1087 OD1 ASP B 32 -7.106 -4.376 -16.877 1.00 0.00 O ATOM 1088 OD2 ASP B 32 -6.364 -2.548 -17.891 1.00 0.00 O ATOM 0 H ASP B 32 -5.328 -2.713 -13.187 1.00 0.00 H new ATOM 0 HA ASP B 32 -4.762 -4.459 -15.464 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -6.845 -2.818 -14.788 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -5.848 -1.647 -15.627 1.00 0.00 H new ATOM 1093 N LYS B 33 -3.283 -1.593 -14.801 1.00 0.00 N ATOM 1094 CA LYS B 33 -2.198 -0.677 -15.108 1.00 0.00 C ATOM 1095 C LYS B 33 -0.828 -1.238 -14.745 1.00 0.00 C ATOM 1096 O LYS B 33 0.150 -0.956 -15.435 1.00 0.00 O ATOM 1097 CB LYS B 33 -2.439 0.593 -14.296 1.00 0.00 C ATOM 1098 CG LYS B 33 -3.596 1.435 -14.841 1.00 0.00 C ATOM 1099 CD LYS B 33 -3.201 2.103 -16.156 1.00 0.00 C ATOM 1100 CE LYS B 33 -4.271 3.123 -16.519 1.00 0.00 C ATOM 1101 NZ LYS B 33 -4.020 3.724 -17.844 1.00 0.00 N ATOM 0 H LYS B 33 -3.795 -1.344 -13.955 1.00 0.00 H new ATOM 0 HA LYS B 33 -2.192 -0.495 -16.183 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -2.648 0.323 -13.261 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -1.529 1.194 -14.291 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.471 0.804 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -3.876 2.194 -14.111 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -2.231 2.590 -16.057 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -3.104 1.358 -16.946 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.249 2.642 -16.516 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -4.299 3.907 -15.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -4.072 4.760 -17.771 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -3.074 3.448 -18.177 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -4.736 3.388 -18.519 1.00 0.00 H new ATOM 1115 N GLU B 34 -0.753 -2.024 -13.671 1.00 0.00 N ATOM 1116 CA GLU B 34 0.515 -2.550 -13.187 1.00 0.00 C ATOM 1117 C GLU B 34 0.477 -4.046 -12.880 1.00 0.00 C ATOM 1118 O GLU B 34 1.525 -4.656 -12.670 1.00 0.00 O ATOM 1119 CB GLU B 34 0.876 -1.804 -11.908 1.00 0.00 C ATOM 1120 CG GLU B 34 1.226 -0.336 -12.158 1.00 0.00 C ATOM 1121 CD GLU B 34 2.475 -0.174 -13.024 1.00 0.00 C ATOM 1122 OE1 GLU B 34 3.383 -1.027 -12.913 1.00 0.00 O ATOM 1123 OE2 GLU B 34 2.514 0.811 -13.795 1.00 0.00 O ATOM 0 H GLU B 34 -1.562 -2.309 -13.120 1.00 0.00 H new ATOM 0 HA GLU B 34 1.251 -2.407 -13.978 1.00 0.00 H new ATOM 0 HB2 GLU B 34 0.039 -1.860 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU B 34 1.722 -2.298 -11.431 1.00 0.00 H new ATOM 0 HG2 GLU B 34 0.384 0.158 -12.643 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.382 0.165 -11.203 1.00 0.00 H new ATOM 1130 N GLY B 35 -0.712 -4.648 -12.848 1.00 0.00 N ATOM 1131 CA GLY B 35 -0.848 -6.069 -12.544 1.00 0.00 C ATOM 1132 C GLY B 35 -0.706 -6.336 -11.050 1.00 0.00 C ATOM 1133 O GLY B 35 -0.505 -7.479 -10.642 1.00 0.00 O ATOM 0 H GLY B 35 -1.595 -4.171 -13.029 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -1.819 -6.424 -12.888 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -0.091 -6.633 -13.089 1.00 0.00 H new ATOM 1137 N ILE B 36 -0.808 -5.286 -10.229 1.00 0.00 N ATOM 1138 CA ILE B 36 -0.646 -5.411 -8.789 1.00 0.00 C ATOM 1139 C ILE B 36 -1.897 -6.064 -8.211 1.00 0.00 C ATOM 1140 O ILE B 36 -3.008 -5.633 -8.517 1.00 0.00 O ATOM 1141 CB ILE B 36 -0.437 -4.023 -8.172 1.00 0.00 C ATOM 1142 CG1 ILE B 36 0.902 -3.453 -8.645 1.00 0.00 C ATOM 1143 CG2 ILE B 36 -0.427 -4.106 -6.645 1.00 0.00 C ATOM 1144 CD1 ILE B 36 0.946 -1.935 -8.467 1.00 0.00 C ATOM 0 H ILE B 36 -1.004 -4.337 -10.546 1.00 0.00 H new ATOM 0 HA ILE B 36 0.224 -6.027 -8.561 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.257 -3.377 -8.488 1.00 0.00 H new ATOM 0 HG12 ILE B 36 1.715 -3.912 -8.083 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.058 -3.704 -9.694 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -0.277 -3.110 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -1.379 -4.507 -6.296 1.00 0.00 H new ATOM 0 HG23 ILE B 36 0.382 -4.760 -6.321 1.00 0.00 H new ATOM 0 HD11 ILE B 36 1.908 -1.556 -8.811 1.00 0.00 H new ATOM 0 HD12 ILE B 36 0.147 -1.477 -9.049 1.00 0.00 H new ATOM 0 HD13 ILE B 36 0.814 -1.688 -7.413 1.00 0.00 H new ATOM 1156 N PRO B 37 -1.739 -7.099 -7.382 1.00 0.00 N ATOM 1157 CA PRO B 37 -2.859 -7.811 -6.807 1.00 0.00 C ATOM 1158 C PRO B 37 -3.561 -6.957 -5.760 1.00 0.00 C ATOM 1159 O PRO B 37 -2.902 -6.365 -4.908 1.00 0.00 O ATOM 1160 CB PRO B 37 -2.258 -9.053 -6.158 1.00 0.00 C ATOM 1161 CG PRO B 37 -0.810 -8.665 -5.864 1.00 0.00 C ATOM 1162 CD PRO B 37 -0.468 -7.652 -6.952 1.00 0.00 C ATOM 0 HA PRO B 37 -3.605 -8.062 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -2.790 -9.322 -5.246 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -2.311 -9.914 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -0.708 -8.231 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -0.149 -9.531 -5.904 1.00 0.00 H new ATOM 0 HD2 PRO B 37 0.190 -6.872 -6.569 1.00 0.00 H new ATOM 0 HD3 PRO B 37 0.053 -8.129 -7.782 1.00 0.00 H new ATOM 1170 N PRO B 38 -4.898 -6.886 -5.804 1.00 0.00 N ATOM 1171 CA PRO B 38 -5.706 -6.289 -4.750 1.00 0.00 C ATOM 1172 C PRO B 38 -5.401 -6.916 -3.388 1.00 0.00 C ATOM 1173 O PRO B 38 -5.662 -6.308 -2.353 1.00 0.00 O ATOM 1174 CB PRO B 38 -7.161 -6.525 -5.166 1.00 0.00 C ATOM 1175 CG PRO B 38 -7.084 -7.627 -6.221 1.00 0.00 C ATOM 1176 CD PRO B 38 -5.737 -7.378 -6.877 1.00 0.00 C ATOM 0 HA PRO B 38 -5.492 -5.226 -4.635 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.772 -6.831 -4.317 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -7.610 -5.618 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -7.137 -8.619 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -7.902 -7.557 -6.938 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.332 -8.292 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -5.817 -6.650 -7.684 1.00 0.00 H new ATOM 1184 N ASP B 39 -4.849 -8.133 -3.394 1.00 0.00 N ATOM 1185 CA ASP B 39 -4.416 -8.834 -2.191 1.00 0.00 C ATOM 1186 C ASP B 39 -3.201 -8.166 -1.536 1.00 0.00 C ATOM 1187 O ASP B 39 -2.858 -8.497 -0.402 1.00 0.00 O ATOM 1188 CB ASP B 39 -4.104 -10.284 -2.556 1.00 0.00 C ATOM 1189 CG ASP B 39 -3.741 -11.114 -1.329 1.00 0.00 C ATOM 1190 OD1 ASP B 39 -4.653 -11.350 -0.504 1.00 0.00 O ATOM 1191 OD2 ASP B 39 -2.558 -11.505 -1.224 1.00 0.00 O ATOM 0 H ASP B 39 -4.690 -8.663 -4.251 1.00 0.00 H new ATOM 0 HA ASP B 39 -5.222 -8.796 -1.458 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -4.968 -10.727 -3.052 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -3.280 -10.310 -3.269 1.00 0.00 H new ATOM 1196 N GLN B 40 -2.545 -7.227 -2.234 1.00 0.00 N ATOM 1197 CA GLN B 40 -1.423 -6.484 -1.675 1.00 0.00 C ATOM 1198 C GLN B 40 -1.636 -4.974 -1.674 1.00 0.00 C ATOM 1199 O GLN B 40 -0.844 -4.259 -1.070 1.00 0.00 O ATOM 1200 CB GLN B 40 -0.160 -6.768 -2.483 1.00 0.00 C ATOM 1201 CG GLN B 40 0.351 -8.190 -2.278 1.00 0.00 C ATOM 1202 CD GLN B 40 1.547 -8.488 -3.175 1.00 0.00 C ATOM 1203 OE1 GLN B 40 2.257 -7.453 -3.613 1.00 0.00 O flip ATOM 1204 NE2 GLN B 40 1.837 -9.643 -3.474 1.00 0.00 N flip ATOM 0 H GLN B 40 -2.780 -6.968 -3.192 1.00 0.00 H new ATOM 0 HA GLN B 40 -1.330 -6.817 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -0.365 -6.607 -3.541 1.00 0.00 H new ATOM 0 HB3 GLN B 40 0.618 -6.060 -2.198 1.00 0.00 H new ATOM 0 HG2 GLN B 40 0.634 -8.329 -1.235 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -0.449 -8.899 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN B 40 1.274 -10.417 -3.123 1.00 0.00 H new ATOM 0 HE22 GLN B 40 2.641 -9.828 -4.073 1.00 0.00 H new ATOM 1213 N GLN B 41 -2.678 -4.459 -2.328 1.00 0.00 N ATOM 1214 CA GLN B 41 -2.849 -3.017 -2.386 1.00 0.00 C ATOM 1215 C GLN B 41 -3.334 -2.448 -1.056 1.00 0.00 C ATOM 1216 O GLN B 41 -4.121 -3.068 -0.341 1.00 0.00 O ATOM 1217 CB GLN B 41 -3.796 -2.633 -3.524 1.00 0.00 C ATOM 1218 CG GLN B 41 -3.118 -2.938 -4.860 1.00 0.00 C ATOM 1219 CD GLN B 41 -3.914 -2.405 -6.039 1.00 0.00 C ATOM 1220 OE1 GLN B 41 -4.295 -1.240 -6.058 1.00 0.00 O ATOM 1221 NE2 GLN B 41 -4.172 -3.249 -7.033 1.00 0.00 N ATOM 0 H GLN B 41 -3.393 -5.004 -2.810 1.00 0.00 H new ATOM 0 HA GLN B 41 -1.872 -2.578 -2.586 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -4.730 -3.189 -3.440 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -4.048 -1.574 -3.463 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -2.120 -2.499 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -2.993 -4.016 -4.965 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -3.839 -4.212 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -4.703 -2.934 -7.845 1.00 0.00 H new ATOM 1230 N ARG B 42 -2.842 -1.245 -0.747 1.00 0.00 N ATOM 1231 CA ARG B 42 -3.195 -0.473 0.437 1.00 0.00 C ATOM 1232 C ARG B 42 -3.290 1.000 0.052 1.00 0.00 C ATOM 1233 O ARG B 42 -2.491 1.818 0.501 1.00 0.00 O ATOM 1234 CB ARG B 42 -2.145 -0.644 1.528 1.00 0.00 C ATOM 1235 CG ARG B 42 -2.159 -2.031 2.168 1.00 0.00 C ATOM 1236 CD ARG B 42 -1.198 -2.030 3.357 1.00 0.00 C ATOM 1237 NE ARG B 42 -1.659 -1.126 4.419 1.00 0.00 N ATOM 1238 CZ ARG B 42 -1.141 -1.098 5.649 1.00 0.00 C ATOM 1239 NH1 ARG B 42 -0.116 -1.880 5.985 1.00 0.00 N ATOM 1240 NH2 ARG B 42 -1.647 -0.281 6.567 1.00 0.00 N ATOM 0 H ARG B 42 -2.162 -0.769 -1.340 1.00 0.00 H new ATOM 0 HA ARG B 42 -4.151 -0.829 0.821 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -1.158 -0.456 1.105 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -2.309 0.107 2.301 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -3.167 -2.286 2.496 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -1.860 -2.786 1.441 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -1.106 -3.041 3.753 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -0.206 -1.726 3.024 1.00 0.00 H new ATOM 0 HE ARG B 42 -2.420 -0.482 4.204 1.00 0.00 H new ATOM 0 HH11 ARG B 42 0.288 -2.515 5.297 1.00 0.00 H new ATOM 0 HH12 ARG B 42 0.265 -1.843 6.930 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -2.432 0.326 6.332 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -1.250 -0.261 7.506 1.00 0.00 H new ATOM 1254 N LEU B 43 -4.269 1.332 -0.789 1.00 0.00 N ATOM 1255 CA LEU B 43 -4.490 2.701 -1.225 1.00 0.00 C ATOM 1256 C LEU B 43 -4.687 3.631 -0.031 1.00 0.00 C ATOM 1257 O LEU B 43 -5.289 3.251 0.973 1.00 0.00 O ATOM 1258 CB LEU B 43 -5.708 2.739 -2.154 1.00 0.00 C ATOM 1259 CG LEU B 43 -5.422 2.015 -3.473 1.00 0.00 C ATOM 1260 CD1 LEU B 43 -6.714 1.842 -4.262 1.00 0.00 C ATOM 1261 CD2 LEU B 43 -4.439 2.814 -4.324 1.00 0.00 C ATOM 0 H LEU B 43 -4.926 0.659 -1.183 1.00 0.00 H new ATOM 0 HA LEU B 43 -3.611 3.051 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -6.561 2.275 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -5.982 3.774 -2.357 1.00 0.00 H new ATOM 0 HG LEU B 43 -4.991 1.042 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.502 1.326 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -7.422 1.255 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -7.144 2.821 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -4.249 2.282 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -4.862 3.794 -4.545 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -3.503 2.937 -3.780 1.00 0.00 H new ATOM 1273 N ILE B 44 -4.172 4.855 -0.158 1.00 0.00 N ATOM 1274 CA ILE B 44 -4.256 5.879 0.874 1.00 0.00 C ATOM 1275 C ILE B 44 -4.343 7.251 0.229 1.00 0.00 C ATOM 1276 O ILE B 44 -3.541 7.571 -0.647 1.00 0.00 O ATOM 1277 CB ILE B 44 -3.001 5.842 1.753 1.00 0.00 C ATOM 1278 CG1 ILE B 44 -2.956 4.561 2.593 1.00 0.00 C ATOM 1279 CG2 ILE B 44 -2.973 7.075 2.660 1.00 0.00 C ATOM 1280 CD1 ILE B 44 -1.886 4.656 3.678 1.00 0.00 C ATOM 0 H ILE B 44 -3.678 5.163 -0.995 1.00 0.00 H new ATOM 0 HA ILE B 44 -5.142 5.688 1.480 1.00 0.00 H new ATOM 0 HB ILE B 44 -2.123 5.849 1.107 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -3.930 4.388 3.051 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -2.751 3.706 1.949 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -2.080 7.047 3.284 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -2.960 7.977 2.048 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -3.859 7.080 3.294 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -1.875 3.734 4.260 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -0.911 4.805 3.215 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -2.108 5.497 4.335 1.00 0.00 H new ATOM 1292 N PHE B 45 -5.312 8.060 0.672 1.00 0.00 N ATOM 1293 CA PHE B 45 -5.517 9.419 0.193 1.00 0.00 C ATOM 1294 C PHE B 45 -5.472 10.351 1.404 1.00 0.00 C ATOM 1295 O PHE B 45 -6.345 10.285 2.261 1.00 0.00 O ATOM 1296 CB PHE B 45 -6.841 9.517 -0.573 1.00 0.00 C ATOM 1297 CG PHE B 45 -7.368 10.920 -0.715 1.00 0.00 C ATOM 1298 CD1 PHE B 45 -6.774 11.746 -1.670 1.00 0.00 C ATOM 1299 CD2 PHE B 45 -8.424 11.399 0.073 1.00 0.00 C ATOM 1300 CE1 PHE B 45 -7.242 13.049 -1.869 1.00 0.00 C ATOM 1301 CE2 PHE B 45 -8.888 12.711 -0.114 1.00 0.00 C ATOM 1302 CZ PHE B 45 -8.303 13.534 -1.088 1.00 0.00 C ATOM 0 H PHE B 45 -5.984 7.778 1.386 1.00 0.00 H new ATOM 0 HA PHE B 45 -4.735 9.712 -0.508 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -6.706 9.089 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -7.589 8.910 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -5.948 11.377 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -8.878 10.763 0.819 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -6.789 13.679 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -9.697 13.088 0.494 1.00 0.00 H new ATOM 0 HZ PHE B 45 -8.668 14.539 -1.237 1.00 0.00 H new ATOM 1312 N ALA B 46 -4.451 11.216 1.476 1.00 0.00 N ATOM 1313 CA ALA B 46 -4.244 12.146 2.583 1.00 0.00 C ATOM 1314 C ALA B 46 -3.877 11.416 3.877 1.00 0.00 C ATOM 1315 O ALA B 46 -4.029 11.971 4.963 1.00 0.00 O ATOM 1316 CB ALA B 46 -5.478 13.039 2.769 1.00 0.00 C ATOM 0 H ALA B 46 -3.736 11.286 0.752 1.00 0.00 H new ATOM 0 HA ALA B 46 -3.397 12.784 2.332 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -5.308 13.726 3.598 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -5.656 13.608 1.856 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -6.347 12.418 2.985 1.00 0.00 H new ATOM 1322 N GLY B 47 -3.396 10.172 3.769 1.00 0.00 N ATOM 1323 CA GLY B 47 -3.145 9.323 4.926 1.00 0.00 C ATOM 1324 C GLY B 47 -4.446 8.726 5.434 1.00 0.00 C ATOM 1325 O GLY B 47 -4.431 7.919 6.360 1.00 0.00 O ATOM 0 H GLY B 47 -3.172 9.732 2.877 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -2.452 8.526 4.657 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -2.671 9.905 5.716 1.00 0.00 H new ATOM 1329 N LYS B 48 -5.570 9.117 4.826 1.00 0.00 N ATOM 1330 CA LYS B 48 -6.843 8.492 5.097 1.00 0.00 C ATOM 1331 C LYS B 48 -6.759 7.123 4.454 1.00 0.00 C ATOM 1332 O LYS B 48 -6.769 7.012 3.229 1.00 0.00 O ATOM 1333 CB LYS B 48 -7.993 9.292 4.489 1.00 0.00 C ATOM 1334 CG LYS B 48 -9.285 8.773 5.110 1.00 0.00 C ATOM 1335 CD LYS B 48 -10.461 8.859 4.140 1.00 0.00 C ATOM 1336 CE LYS B 48 -10.648 10.259 3.560 1.00 0.00 C ATOM 1337 NZ LYS B 48 -10.965 11.250 4.609 1.00 0.00 N ATOM 0 H LYS B 48 -5.611 9.870 4.140 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.038 8.436 6.168 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -7.870 10.356 4.691 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.013 9.174 3.406 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.147 7.738 5.422 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -9.513 9.348 6.007 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.307 8.151 3.326 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -11.374 8.559 4.655 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.740 10.560 3.038 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -11.450 10.242 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -11.135 12.178 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.817 10.950 5.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -10.167 11.321 5.272 1.00 0.00 H new ATOM 1351 N GLN B 49 -6.674 6.083 5.271 1.00 0.00 N ATOM 1352 CA GLN B 49 -6.474 4.751 4.745 1.00 0.00 C ATOM 1353 C GLN B 49 -7.842 4.134 4.456 1.00 0.00 C ATOM 1354 O GLN B 49 -8.555 3.712 5.365 1.00 0.00 O ATOM 1355 CB GLN B 49 -5.588 3.953 5.705 1.00 0.00 C ATOM 1356 CG GLN B 49 -4.496 4.852 6.314 1.00 0.00 C ATOM 1357 CD GLN B 49 -3.347 4.038 6.900 1.00 0.00 C ATOM 1358 OE1 GLN B 49 -2.188 4.667 7.061 1.00 0.00 O flip ATOM 1359 NE2 GLN B 49 -3.495 2.857 7.205 1.00 0.00 N flip ATOM 0 H GLN B 49 -6.740 6.139 6.287 1.00 0.00 H new ATOM 0 HA GLN B 49 -5.936 4.756 3.797 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -6.198 3.525 6.500 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -5.126 3.120 5.174 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -4.110 5.524 5.547 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -4.933 5.476 7.094 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -4.399 2.404 7.068 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -2.714 2.329 7.595 1.00 0.00 H new ATOM 1368 N LEU B 50 -8.190 4.097 3.167 1.00 0.00 N ATOM 1369 CA LEU B 50 -9.527 3.783 2.687 1.00 0.00 C ATOM 1370 C LEU B 50 -9.957 2.351 2.998 1.00 0.00 C ATOM 1371 O LEU B 50 -9.146 1.487 3.331 1.00 0.00 O ATOM 1372 CB LEU B 50 -9.632 4.040 1.175 1.00 0.00 C ATOM 1373 CG LEU B 50 -9.191 5.423 0.663 1.00 0.00 C ATOM 1374 CD1 LEU B 50 -9.628 6.546 1.594 1.00 0.00 C ATOM 1375 CD2 LEU B 50 -7.684 5.503 0.433 1.00 0.00 C ATOM 0 H LEU B 50 -7.529 4.290 2.414 1.00 0.00 H new ATOM 0 HA LEU B 50 -10.206 4.445 3.224 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -9.037 3.285 0.662 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -10.669 3.885 0.877 1.00 0.00 H new ATOM 0 HG LEU B 50 -9.691 5.554 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -9.295 7.503 1.192 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -10.715 6.547 1.678 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.188 6.394 2.580 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -7.423 6.498 0.072 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.162 5.308 1.370 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -7.389 4.760 -0.308 1.00 0.00 H new ATOM 1387 N GLU B 51 -11.268 2.132 2.873 1.00 0.00 N ATOM 1388 CA GLU B 51 -11.947 0.863 3.098 1.00 0.00 C ATOM 1389 C GLU B 51 -11.857 -0.024 1.854 1.00 0.00 C ATOM 1390 O GLU B 51 -10.940 0.118 1.048 1.00 0.00 O ATOM 1391 CB GLU B 51 -13.401 1.163 3.458 1.00 0.00 C ATOM 1392 CG GLU B 51 -13.448 1.963 4.756 1.00 0.00 C ATOM 1393 CD GLU B 51 -12.954 1.149 5.950 1.00 0.00 C ATOM 1394 OE1 GLU B 51 -13.601 0.122 6.255 1.00 0.00 O ATOM 1395 OE2 GLU B 51 -11.934 1.558 6.550 1.00 0.00 O ATOM 0 H GLU B 51 -11.912 2.874 2.599 1.00 0.00 H new ATOM 0 HA GLU B 51 -11.471 0.319 3.914 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -13.877 1.725 2.655 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -13.958 0.233 3.571 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -12.837 2.860 4.651 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -14.470 2.294 4.941 1.00 0.00 H new ATOM 1402 N ASP B 52 -12.815 -0.940 1.697 1.00 0.00 N ATOM 1403 CA ASP B 52 -12.845 -1.858 0.566 1.00 0.00 C ATOM 1404 C ASP B 52 -14.274 -2.092 0.056 1.00 0.00 C ATOM 1405 O ASP B 52 -14.521 -3.044 -0.681 1.00 0.00 O ATOM 1406 CB ASP B 52 -12.165 -3.166 0.978 1.00 0.00 C ATOM 1407 CG ASP B 52 -11.722 -3.987 -0.232 1.00 0.00 C ATOM 1408 OD1 ASP B 52 -10.845 -3.487 -0.975 1.00 0.00 O ATOM 1409 OD2 ASP B 52 -12.257 -5.104 -0.402 1.00 0.00 O ATOM 0 H ASP B 52 -13.588 -1.063 2.351 1.00 0.00 H new ATOM 0 HA ASP B 52 -12.300 -1.417 -0.269 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -11.299 -2.944 1.602 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -12.852 -3.756 1.585 1.00 0.00 H new ATOM 1414 N GLY B 53 -15.220 -1.225 0.448 1.00 0.00 N ATOM 1415 CA GLY B 53 -16.615 -1.330 0.025 1.00 0.00 C ATOM 1416 C GLY B 53 -17.312 0.032 -0.027 1.00 0.00 C ATOM 1417 O GLY B 53 -18.501 0.110 -0.326 1.00 0.00 O ATOM 0 H GLY B 53 -15.035 -0.435 1.066 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -16.659 -1.796 -0.959 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -17.152 -1.984 0.712 1.00 0.00 H new ATOM 1421 N ARG B 54 -16.564 1.103 0.269 1.00 0.00 N ATOM 1422 CA ARG B 54 -17.004 2.491 0.214 1.00 0.00 C ATOM 1423 C ARG B 54 -16.978 3.001 -1.226 1.00 0.00 C ATOM 1424 O ARG B 54 -16.971 2.198 -2.155 1.00 0.00 O ATOM 1425 CB ARG B 54 -16.018 3.286 1.059 1.00 0.00 C ATOM 1426 CG ARG B 54 -16.230 3.093 2.553 1.00 0.00 C ATOM 1427 CD ARG B 54 -17.576 3.686 2.959 1.00 0.00 C ATOM 1428 NE ARG B 54 -17.520 4.219 4.321 1.00 0.00 N ATOM 1429 CZ ARG B 54 -17.849 3.544 5.425 1.00 0.00 C ATOM 1430 NH1 ARG B 54 -18.266 2.282 5.360 1.00 0.00 N ATOM 1431 NH2 ARG B 54 -17.764 4.136 6.612 1.00 0.00 N ATOM 0 H ARG B 54 -15.592 1.014 0.566 1.00 0.00 H new ATOM 0 HA ARG B 54 -18.024 2.593 0.583 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -15.002 2.988 0.800 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -16.111 4.345 0.818 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -16.199 2.032 2.801 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -15.426 3.574 3.110 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -17.853 4.479 2.265 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -18.350 2.921 2.895 1.00 0.00 H new ATOM 0 HE ARG B 54 -17.205 5.182 4.436 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -18.339 1.815 4.456 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -18.513 1.782 6.214 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -17.448 5.104 6.678 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -18.015 3.623 7.457 1.00 0.00 H new ATOM 1445 N THR B 55 -16.959 4.323 -1.424 1.00 0.00 N ATOM 1446 CA THR B 55 -16.899 4.899 -2.765 1.00 0.00 C ATOM 1447 C THR B 55 -16.056 6.161 -2.767 1.00 0.00 C ATOM 1448 O THR B 55 -15.827 6.753 -1.719 1.00 0.00 O ATOM 1449 CB THR B 55 -18.295 5.240 -3.284 1.00 0.00 C ATOM 1450 OG1 THR B 55 -18.973 6.055 -2.353 1.00 0.00 O ATOM 1451 CG2 THR B 55 -19.107 3.975 -3.536 1.00 0.00 C ATOM 0 H THR B 55 -16.984 5.011 -0.671 1.00 0.00 H new ATOM 0 HA THR B 55 -16.447 4.152 -3.418 1.00 0.00 H new ATOM 0 HB THR B 55 -18.183 5.777 -4.226 1.00 0.00 H new ATOM 0 HG1 THR B 55 -19.866 6.270 -2.695 1.00 0.00 H new ATOM 0 HG21 THR B 55 -20.096 4.245 -3.905 1.00 0.00 H new ATOM 0 HG22 THR B 55 -18.599 3.358 -4.278 1.00 0.00 H new ATOM 0 HG23 THR B 55 -19.207 3.415 -2.606 1.00 0.00 H new ATOM 1459 N LEU B 56 -15.589 6.581 -3.947 1.00 0.00 N ATOM 1460 CA LEU B 56 -14.735 7.757 -4.046 1.00 0.00 C ATOM 1461 C LEU B 56 -15.481 8.999 -3.566 1.00 0.00 C ATOM 1462 O LEU B 56 -14.880 9.923 -3.021 1.00 0.00 O ATOM 1463 CB LEU B 56 -14.250 7.919 -5.489 1.00 0.00 C ATOM 1464 CG LEU B 56 -13.371 6.735 -5.906 1.00 0.00 C ATOM 1465 CD1 LEU B 56 -12.977 6.898 -7.366 1.00 0.00 C ATOM 1466 CD2 LEU B 56 -12.097 6.668 -5.067 1.00 0.00 C ATOM 0 H LEU B 56 -15.789 6.125 -4.837 1.00 0.00 H new ATOM 0 HA LEU B 56 -13.864 7.628 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -15.107 7.995 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -13.687 8.847 -5.586 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.941 5.818 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -12.351 6.059 -7.670 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -13.874 6.924 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -12.423 7.828 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -11.495 5.818 -5.387 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -11.526 7.587 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -12.360 6.551 -4.016 1.00 0.00 H new ATOM 1478 N SER B 57 -16.799 9.010 -3.772 1.00 0.00 N ATOM 1479 CA SER B 57 -17.676 10.068 -3.297 1.00 0.00 C ATOM 1480 C SER B 57 -17.696 10.114 -1.770 1.00 0.00 C ATOM 1481 O SER B 57 -17.862 11.184 -1.182 1.00 0.00 O ATOM 1482 CB SER B 57 -19.082 9.793 -3.815 1.00 0.00 C ATOM 1483 OG SER B 57 -19.930 10.892 -3.560 1.00 0.00 O ATOM 0 H SER B 57 -17.288 8.273 -4.280 1.00 0.00 H new ATOM 0 HA SER B 57 -17.312 11.029 -3.661 1.00 0.00 H new ATOM 0 HB2 SER B 57 -19.048 9.594 -4.886 1.00 0.00 H new ATOM 0 HB3 SER B 57 -19.483 8.899 -3.337 1.00 0.00 H new ATOM 0 HG SER B 57 -20.828 10.698 -3.901 1.00 0.00 H new ATOM 1489 N ASP B 58 -17.528 8.956 -1.128 1.00 0.00 N ATOM 1490 CA ASP B 58 -17.520 8.863 0.327 1.00 0.00 C ATOM 1491 C ASP B 58 -16.340 9.614 0.945 1.00 0.00 C ATOM 1492 O ASP B 58 -16.347 9.885 2.145 1.00 0.00 O ATOM 1493 CB ASP B 58 -17.492 7.398 0.766 1.00 0.00 C ATOM 1494 CG ASP B 58 -17.812 7.255 2.251 1.00 0.00 C ATOM 1495 OD1 ASP B 58 -18.972 7.538 2.620 1.00 0.00 O ATOM 1496 OD2 ASP B 58 -16.893 6.863 3.011 1.00 0.00 O ATOM 0 H ASP B 58 -17.395 8.063 -1.602 1.00 0.00 H new ATOM 0 HA ASP B 58 -18.436 9.333 0.685 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -18.213 6.827 0.180 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -16.509 6.974 0.562 1.00 0.00 H new ATOM 1501 N TYR B 59 -15.328 9.957 0.140 1.00 0.00 N ATOM 1502 CA TYR B 59 -14.165 10.687 0.613 1.00 0.00 C ATOM 1503 C TYR B 59 -14.069 12.058 -0.056 1.00 0.00 C ATOM 1504 O TYR B 59 -13.056 12.742 0.088 1.00 0.00 O ATOM 1505 CB TYR B 59 -12.908 9.876 0.310 1.00 0.00 C ATOM 1506 CG TYR B 59 -13.080 8.378 0.245 1.00 0.00 C ATOM 1507 CD1 TYR B 59 -13.280 7.615 1.401 1.00 0.00 C ATOM 1508 CD2 TYR B 59 -13.032 7.751 -1.004 1.00 0.00 C ATOM 1509 CE1 TYR B 59 -13.393 6.225 1.315 1.00 0.00 C ATOM 1510 CE2 TYR B 59 -13.145 6.361 -1.100 1.00 0.00 C ATOM 1511 CZ TYR B 59 -13.323 5.595 0.064 1.00 0.00 C ATOM 1512 OH TYR B 59 -13.420 4.245 -0.014 1.00 0.00 O ATOM 0 H TYR B 59 -15.300 9.733 -0.855 1.00 0.00 H new ATOM 0 HA TYR B 59 -14.261 10.840 1.688 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -12.503 10.216 -0.643 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -12.162 10.102 1.072 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -13.347 8.102 2.363 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -12.907 8.343 -1.898 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -13.534 5.637 2.210 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -13.096 5.878 -2.065 1.00 0.00 H new ATOM 0 HH TYR B 59 -13.077 3.844 0.812 1.00 0.00 H new ATOM 1522 N ASN B 60 -15.114 12.458 -0.791 1.00 0.00 N ATOM 1523 CA ASN B 60 -15.129 13.667 -1.600 1.00 0.00 C ATOM 1524 C ASN B 60 -13.907 13.744 -2.520 1.00 0.00 C ATOM 1525 O ASN B 60 -13.447 14.828 -2.872 1.00 0.00 O ATOM 1526 CB ASN B 60 -15.285 14.891 -0.695 1.00 0.00 C ATOM 1527 CG ASN B 60 -15.660 16.128 -1.500 1.00 0.00 C ATOM 1528 OD1 ASN B 60 -16.652 16.130 -2.224 1.00 0.00 O ATOM 1529 ND2 ASN B 60 -14.874 17.193 -1.385 1.00 0.00 N ATOM 0 H ASN B 60 -15.988 11.934 -0.836 1.00 0.00 H new ATOM 0 HA ASN B 60 -15.991 13.644 -2.267 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -16.051 14.696 0.055 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -14.353 15.071 -0.159 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -15.088 18.043 -1.906 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -14.057 17.160 -0.775 1.00 0.00 H new ATOM 1536 N ILE B 61 -13.381 12.577 -2.906 1.00 0.00 N ATOM 1537 CA ILE B 61 -12.281 12.480 -3.852 1.00 0.00 C ATOM 1538 C ILE B 61 -12.758 12.903 -5.239 1.00 0.00 C ATOM 1539 O ILE B 61 -13.836 12.507 -5.683 1.00 0.00 O ATOM 1540 CB ILE B 61 -11.744 11.042 -3.839 1.00 0.00 C ATOM 1541 CG1 ILE B 61 -10.674 10.951 -2.744 1.00 0.00 C ATOM 1542 CG2 ILE B 61 -11.177 10.622 -5.197 1.00 0.00 C ATOM 1543 CD1 ILE B 61 -10.222 9.511 -2.513 1.00 0.00 C ATOM 0 H ILE B 61 -13.712 11.674 -2.566 1.00 0.00 H new ATOM 0 HA ILE B 61 -11.469 13.150 -3.570 1.00 0.00 H new ATOM 0 HB ILE B 61 -12.564 10.354 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -9.815 11.561 -3.023 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -11.069 11.362 -1.815 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -10.810 9.598 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -11.960 10.683 -5.953 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -10.357 11.286 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -9.464 9.489 -1.730 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -11.076 8.906 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -9.803 9.109 -3.435 1.00 0.00 H new ATOM 1555 N GLN B 62 -11.940 13.710 -5.918 1.00 0.00 N ATOM 1556 CA GLN B 62 -12.174 14.157 -7.276 1.00 0.00 C ATOM 1557 C GLN B 62 -11.213 13.431 -8.218 1.00 0.00 C ATOM 1558 O GLN B 62 -10.541 12.488 -7.803 1.00 0.00 O ATOM 1559 CB GLN B 62 -11.984 15.670 -7.337 1.00 0.00 C ATOM 1560 CG GLN B 62 -12.730 16.342 -6.187 1.00 0.00 C ATOM 1561 CD GLN B 62 -14.224 16.051 -6.204 1.00 0.00 C ATOM 1562 OE1 GLN B 62 -14.865 16.057 -7.252 1.00 0.00 O ATOM 1563 NE2 GLN B 62 -14.793 15.793 -5.031 1.00 0.00 N ATOM 0 H GLN B 62 -11.075 14.076 -5.520 1.00 0.00 H new ATOM 0 HA GLN B 62 -13.192 13.925 -7.589 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -10.923 15.913 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.350 16.052 -8.290 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -12.309 16.004 -5.240 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -12.574 17.419 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -14.231 15.796 -4.180 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -15.792 15.592 -4.982 1.00 0.00 H new ATOM 1572 N LYS B 63 -11.139 13.858 -9.484 1.00 0.00 N ATOM 1573 CA LYS B 63 -10.287 13.225 -10.484 1.00 0.00 C ATOM 1574 C LYS B 63 -8.797 13.289 -10.113 1.00 0.00 C ATOM 1575 O LYS B 63 -8.294 12.404 -9.432 1.00 0.00 O ATOM 1576 CB LYS B 63 -10.638 13.772 -11.873 1.00 0.00 C ATOM 1577 CG LYS B 63 -10.461 15.282 -12.044 1.00 0.00 C ATOM 1578 CD LYS B 63 -11.343 15.759 -13.195 1.00 0.00 C ATOM 1579 CE LYS B 63 -12.789 15.903 -12.722 1.00 0.00 C ATOM 1580 NZ LYS B 63 -13.649 16.441 -13.794 1.00 0.00 N ATOM 0 H LYS B 63 -11.670 14.653 -9.839 1.00 0.00 H new ATOM 0 HA LYS B 63 -10.488 12.154 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -10.019 13.264 -12.613 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -11.674 13.517 -12.095 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -10.731 15.799 -11.123 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -9.416 15.518 -12.247 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -10.978 16.715 -13.571 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -11.291 15.050 -14.021 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -13.168 14.933 -12.400 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -12.827 16.563 -11.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -14.625 16.528 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -13.299 17.377 -14.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -13.630 15.797 -14.611 1.00 0.00 H new ATOM 1594 N GLU B 64 -8.069 14.316 -10.542 1.00 0.00 N ATOM 1595 CA GLU B 64 -6.637 14.460 -10.298 1.00 0.00 C ATOM 1596 C GLU B 64 -6.291 14.708 -8.823 1.00 0.00 C ATOM 1597 O GLU B 64 -5.235 15.267 -8.525 1.00 0.00 O ATOM 1598 CB GLU B 64 -6.083 15.571 -11.195 1.00 0.00 C ATOM 1599 CG GLU B 64 -6.778 16.900 -10.907 1.00 0.00 C ATOM 1600 CD GLU B 64 -6.204 18.015 -11.778 1.00 0.00 C ATOM 1601 OE1 GLU B 64 -6.716 18.179 -12.909 1.00 0.00 O ATOM 1602 OE2 GLU B 64 -5.262 18.693 -11.311 1.00 0.00 O ATOM 0 H GLU B 64 -8.466 15.087 -11.080 1.00 0.00 H new ATOM 0 HA GLU B 64 -6.163 13.511 -10.548 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.010 15.674 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -6.222 15.302 -12.242 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -7.848 16.803 -11.092 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -6.658 17.157 -9.855 1.00 0.00 H new ATOM 1609 N SER B 65 -7.165 14.303 -7.891 1.00 0.00 N ATOM 1610 CA SER B 65 -6.941 14.471 -6.458 1.00 0.00 C ATOM 1611 C SER B 65 -5.633 13.830 -5.992 1.00 0.00 C ATOM 1612 O SER B 65 -5.119 14.197 -4.939 1.00 0.00 O ATOM 1613 CB SER B 65 -8.114 13.848 -5.701 1.00 0.00 C ATOM 1614 OG SER B 65 -9.238 14.694 -5.797 1.00 0.00 O ATOM 0 H SER B 65 -8.050 13.848 -8.116 1.00 0.00 H new ATOM 0 HA SER B 65 -6.867 15.539 -6.252 1.00 0.00 H new ATOM 0 HB2 SER B 65 -8.348 12.867 -6.115 1.00 0.00 H new ATOM 0 HB3 SER B 65 -7.847 13.698 -4.655 1.00 0.00 H new ATOM 0 HG SER B 65 -9.517 14.970 -4.899 1.00 0.00 H new ATOM 1620 N THR B 66 -5.113 12.885 -6.785 1.00 0.00 N ATOM 1621 CA THR B 66 -3.870 12.152 -6.550 1.00 0.00 C ATOM 1622 C THR B 66 -3.963 11.258 -5.316 1.00 0.00 C ATOM 1623 O THR B 66 -4.395 11.692 -4.251 1.00 0.00 O ATOM 1624 CB THR B 66 -2.684 13.118 -6.437 1.00 0.00 C ATOM 1625 OG1 THR B 66 -2.604 13.907 -7.607 1.00 0.00 O ATOM 1626 CG2 THR B 66 -1.362 12.365 -6.268 1.00 0.00 C ATOM 0 H THR B 66 -5.573 12.599 -7.649 1.00 0.00 H new ATOM 0 HA THR B 66 -3.706 11.502 -7.409 1.00 0.00 H new ATOM 0 HB THR B 66 -2.847 13.743 -5.559 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.437 14.412 -7.719 1.00 0.00 H new ATOM 0 HG21 THR B 66 -0.543 13.080 -6.191 1.00 0.00 H new ATOM 0 HG22 THR B 66 -1.401 11.760 -5.362 1.00 0.00 H new ATOM 0 HG23 THR B 66 -1.199 11.718 -7.130 1.00 0.00 H new ATOM 1634 N LEU B 67 -3.548 9.999 -5.472 1.00 0.00 N ATOM 1635 CA LEU B 67 -3.622 8.972 -4.459 1.00 0.00 C ATOM 1636 C LEU B 67 -2.251 8.329 -4.284 1.00 0.00 C ATOM 1637 O LEU B 67 -1.299 8.690 -4.973 1.00 0.00 O ATOM 1638 CB LEU B 67 -4.645 7.937 -4.936 1.00 0.00 C ATOM 1639 CG LEU B 67 -5.914 7.966 -4.091 1.00 0.00 C ATOM 1640 CD1 LEU B 67 -5.589 7.432 -2.712 1.00 0.00 C ATOM 1641 CD2 LEU B 67 -6.569 9.340 -4.093 1.00 0.00 C ATOM 0 H LEU B 67 -3.138 9.666 -6.344 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.925 9.386 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -4.898 8.129 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -4.202 6.942 -4.894 1.00 0.00 H new ATOM 0 HG LEU B 67 -6.671 7.314 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -6.488 7.446 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -5.222 6.409 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -4.823 8.056 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -7.469 9.315 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -5.874 10.075 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -6.834 9.615 -5.114 1.00 0.00 H new ATOM 1653 N HIS B 68 -2.153 7.373 -3.360 1.00 0.00 N ATOM 1654 CA HIS B 68 -0.911 6.673 -3.098 1.00 0.00 C ATOM 1655 C HIS B 68 -1.216 5.206 -2.825 1.00 0.00 C ATOM 1656 O HIS B 68 -2.349 4.867 -2.495 1.00 0.00 O ATOM 1657 CB HIS B 68 -0.243 7.289 -1.865 1.00 0.00 C ATOM 1658 CG HIS B 68 0.040 8.760 -2.008 1.00 0.00 C ATOM 1659 ND1 HIS B 68 1.176 9.294 -2.538 1.00 0.00 N flip ATOM 1660 CD2 HIS B 68 -0.820 9.791 -1.621 1.00 0.00 C flip ATOM 1661 CE1 HIS B 68 1.023 10.660 -2.484 1.00 0.00 C flip ATOM 1662 NE2 HIS B 68 -0.177 10.926 -1.935 1.00 0.00 N flip ATOM 0 H HIS B 68 -2.933 7.068 -2.778 1.00 0.00 H new ATOM 0 HA HIS B 68 -0.246 6.757 -3.958 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -0.885 7.133 -0.998 1.00 0.00 H new ATOM 0 HB3 HIS B 68 0.692 6.765 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -1.795 9.695 -1.166 1.00 0.00 H new ATOM 0 HE1 HIS B 68 1.741 11.392 -2.823 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -0.547 11.863 -1.779 1.00 0.00 H new ATOM 1670 N LEU B 69 -0.210 4.342 -2.957 1.00 0.00 N ATOM 1671 CA LEU B 69 -0.335 2.959 -2.514 1.00 0.00 C ATOM 1672 C LEU B 69 0.786 2.588 -1.544 1.00 0.00 C ATOM 1673 O LEU B 69 1.786 3.293 -1.430 1.00 0.00 O ATOM 1674 CB LEU B 69 -0.483 1.963 -3.681 1.00 0.00 C ATOM 1675 CG LEU B 69 0.568 1.916 -4.790 1.00 0.00 C ATOM 1676 CD1 LEU B 69 0.295 2.981 -5.847 1.00 0.00 C ATOM 1677 CD2 LEU B 69 1.984 2.025 -4.240 1.00 0.00 C ATOM 0 H LEU B 69 0.695 4.576 -3.365 1.00 0.00 H new ATOM 0 HA LEU B 69 -1.272 2.881 -1.962 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -0.541 0.964 -3.248 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -1.444 2.161 -4.155 1.00 0.00 H new ATOM 0 HG LEU B 69 0.491 0.940 -5.270 1.00 0.00 H new ATOM 0 HD11 LEU B 69 1.057 2.926 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -0.687 2.812 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU B 69 0.319 3.968 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.698 1.987 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.095 2.969 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU B 69 2.174 1.197 -3.557 1.00 0.00 H new ATOM 1689 N VAL B 70 0.598 1.465 -0.843 1.00 0.00 N ATOM 1690 CA VAL B 70 1.496 0.975 0.196 1.00 0.00 C ATOM 1691 C VAL B 70 1.530 -0.552 0.097 1.00 0.00 C ATOM 1692 O VAL B 70 1.195 -1.258 1.045 1.00 0.00 O ATOM 1693 CB VAL B 70 1.028 1.466 1.580 1.00 0.00 C ATOM 1694 CG1 VAL B 70 2.062 1.135 2.655 1.00 0.00 C ATOM 1695 CG2 VAL B 70 0.806 2.981 1.596 1.00 0.00 C ATOM 0 H VAL B 70 -0.208 0.858 -0.991 1.00 0.00 H new ATOM 0 HA VAL B 70 2.506 1.361 0.060 1.00 0.00 H new ATOM 0 HB VAL B 70 0.088 0.955 1.787 1.00 0.00 H new ATOM 0 HG11 VAL B 70 1.708 1.492 3.622 1.00 0.00 H new ATOM 0 HG12 VAL B 70 2.209 0.056 2.698 1.00 0.00 H new ATOM 0 HG13 VAL B 70 3.007 1.621 2.413 1.00 0.00 H new ATOM 0 HG21 VAL B 70 0.477 3.290 2.588 1.00 0.00 H new ATOM 0 HG22 VAL B 70 1.739 3.488 1.349 1.00 0.00 H new ATOM 0 HG23 VAL B 70 0.044 3.245 0.862 1.00 0.00 H new ATOM 1705 N LEU B 71 1.932 -1.055 -1.074 1.00 0.00 N ATOM 1706 CA LEU B 71 1.895 -2.473 -1.406 1.00 0.00 C ATOM 1707 C LEU B 71 2.474 -3.354 -0.299 1.00 0.00 C ATOM 1708 O LEU B 71 3.480 -3.009 0.318 1.00 0.00 O ATOM 1709 CB LEU B 71 2.650 -2.713 -2.715 1.00 0.00 C ATOM 1710 CG LEU B 71 2.149 -1.834 -3.865 1.00 0.00 C ATOM 1711 CD1 LEU B 71 2.827 -2.265 -5.163 1.00 0.00 C ATOM 1712 CD2 LEU B 71 0.634 -1.940 -4.032 1.00 0.00 C ATOM 0 H LEU B 71 2.298 -0.473 -1.828 1.00 0.00 H new ATOM 0 HA LEU B 71 0.848 -2.753 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU B 71 3.711 -2.523 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU B 71 2.553 -3.761 -2.997 1.00 0.00 H new ATOM 0 HG LEU B 71 2.396 -0.798 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU B 71 2.472 -1.641 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU B 71 3.907 -2.154 -5.064 1.00 0.00 H new ATOM 0 HD13 LEU B 71 2.587 -3.308 -5.370 1.00 0.00 H new ATOM 0 HD21 LEU B 71 0.313 -1.303 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU B 71 0.363 -2.974 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU B 71 0.143 -1.618 -3.113 1.00 0.00 H new ATOM 1724 N ARG B 72 1.821 -4.500 -0.062 1.00 0.00 N ATOM 1725 CA ARG B 72 2.234 -5.461 0.955 1.00 0.00 C ATOM 1726 C ARG B 72 3.355 -6.391 0.479 1.00 0.00 C ATOM 1727 O ARG B 72 3.867 -7.178 1.269 1.00 0.00 O ATOM 1728 CB ARG B 72 1.007 -6.262 1.402 1.00 0.00 C ATOM 1729 CG ARG B 72 -0.050 -5.340 2.013 1.00 0.00 C ATOM 1730 CD ARG B 72 -1.251 -6.136 2.521 1.00 0.00 C ATOM 1731 NE ARG B 72 -0.904 -6.944 3.694 1.00 0.00 N ATOM 1732 CZ ARG B 72 -1.792 -7.645 4.406 1.00 0.00 C ATOM 1733 NH1 ARG B 72 -3.077 -7.661 4.064 1.00 0.00 N ATOM 1734 NH2 ARG B 72 -1.395 -8.338 5.469 1.00 0.00 N ATOM 0 H ARG B 72 0.987 -4.783 -0.577 1.00 0.00 H new ATOM 0 HA ARG B 72 2.649 -4.907 1.797 1.00 0.00 H new ATOM 0 HB2 ARG B 72 0.584 -6.793 0.550 1.00 0.00 H new ATOM 0 HB3 ARG B 72 1.305 -7.015 2.131 1.00 0.00 H new ATOM 0 HG2 ARG B 72 0.389 -4.774 2.835 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -0.379 -4.616 1.268 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -2.060 -5.452 2.776 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -1.620 -6.785 1.727 1.00 0.00 H new ATOM 0 HE ARG B 72 0.073 -6.973 3.984 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -3.395 -7.134 3.250 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.745 -8.200 4.615 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -0.412 -8.335 5.742 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -2.073 -8.873 6.012 1.00 0.00 H new ATOM 1748 N LEU B 73 3.730 -6.299 -0.803 1.00 0.00 N ATOM 1749 CA LEU B 73 4.854 -6.993 -1.440 1.00 0.00 C ATOM 1750 C LEU B 73 4.882 -8.527 -1.351 1.00 0.00 C ATOM 1751 O LEU B 73 5.697 -9.137 -2.041 1.00 0.00 O ATOM 1752 CB LEU B 73 6.153 -6.448 -0.851 1.00 0.00 C ATOM 1753 CG LEU B 73 6.288 -4.927 -0.974 1.00 0.00 C ATOM 1754 CD1 LEU B 73 7.616 -4.496 -0.357 1.00 0.00 C ATOM 1755 CD2 LEU B 73 6.255 -4.474 -2.434 1.00 0.00 C ATOM 0 H LEU B 73 3.227 -5.703 -1.461 1.00 0.00 H new ATOM 0 HA LEU B 73 4.730 -6.789 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU B 73 6.210 -6.726 0.201 1.00 0.00 H new ATOM 0 HB3 LEU B 73 6.997 -6.922 -1.352 1.00 0.00 H new ATOM 0 HG LEU B 73 5.447 -4.469 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU B 73 7.722 -3.414 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU B 73 7.639 -4.784 0.694 1.00 0.00 H new ATOM 0 HD13 LEU B 73 8.437 -4.982 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU B 73 6.353 -3.389 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU B 73 7.079 -4.937 -2.977 1.00 0.00 H new ATOM 0 HD23 LEU B 73 5.309 -4.772 -2.886 1.00 0.00 H new