USER MOD reduce.3.24.130724 H: found=0, std=0, add=959, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 961 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 TYR OH : rot 180:sc= -0.142 USER MOD Set 1.2: A 104 MET CE :methyl 153:sc= -1.86 (180deg=-2.15) USER MOD Set 2.1: A 94 CYS SG : rot 100:sc= -2.58 USER MOD Set 2.2: A 99 GLN : amide:sc= -2.53 K(o=-5.1,f=-6.5!) USER MOD Set 3.1: A 55 GLN :FLIP amide:sc= -3.85! C(o=-4.4!,f=-3.4!) USER MOD Set 3.2: A 88 SER OG : rot 137:sc= 0.453 USER MOD Set 4.1: A 78 LYS NZ :NH3+ -130:sc= -0.034 (180deg=-0.537) USER MOD Set 4.2: A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -122:sc= 0.00173 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-5.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 31 HIS : no HE2:sc= -4.41 X(o=-4.4,f=-4.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0187 K(o=-0.019,f=-0.93) USER MOD Single : A 56 GLN : amide:sc=-0.00626 K(o=-0.0063,f=-1.4!) USER MOD Single : A 58 ASN :FLIP amide:sc= -2.66! C(o=-3.4!,f=-2.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot -73:sc= 1.23 USER MOD Single : A 69 ASN : amide:sc=-0.00106 K(o=-0.0011,f=-2) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.96) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.027) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.357 USER MOD Single : A 83 SER OG : rot 21:sc= 0.0242 USER MOD Single : A 87 MET CE :methyl 150:sc= -1.57 (180deg=-2.98!) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 98 GLN : amide:sc= -0.0426 K(o=-0.043,f=-1.1) USER MOD Single : A 107 CYS SG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl -131:sc= -0.869 (180deg=-1.9) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 99:sc= 0.579 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.215 K(o=-0.22,f=-2.2!) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 16.703 -2.433 8.665 1.00 0.00 N ATOM 67 CA ILE A 8 15.274 -2.272 8.907 1.00 0.00 C ATOM 68 C ILE A 8 14.452 -3.000 7.849 1.00 0.00 C ATOM 69 O ILE A 8 14.762 -2.972 6.658 1.00 0.00 O ATOM 70 CB ILE A 8 14.870 -0.786 8.921 1.00 0.00 C ATOM 71 CG1 ILE A 8 15.629 -0.039 10.020 1.00 0.00 C ATOM 72 CG2 ILE A 8 13.368 -0.647 9.119 1.00 0.00 C ATOM 73 CD1 ILE A 8 15.378 1.452 10.022 1.00 0.00 C ATOM 0 HA ILE A 8 15.069 -2.706 9.886 1.00 0.00 H new ATOM 0 HB ILE A 8 15.132 -0.344 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 8 15.344 -0.448 10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 8 16.697 -0.219 9.899 1.00 0.00 H new ATOM 0 HG21 ILE A 8 13.098 0.409 9.127 1.00 0.00 H new ATOM 0 HG22 ILE A 8 12.846 -1.149 8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 8 13.083 -1.101 10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 8 15.948 1.916 10.827 1.00 0.00 H new ATOM 0 HD12 ILE A 8 15.689 1.875 9.067 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.315 1.642 10.174 1.00 0.00 H new ATOM 85 N PRO A 9 13.376 -3.667 8.292 1.00 0.00 N ATOM 86 CA PRO A 9 12.484 -4.414 7.400 1.00 0.00 C ATOM 87 C PRO A 9 11.666 -3.497 6.497 1.00 0.00 C ATOM 88 O PRO A 9 10.670 -2.917 6.927 1.00 0.00 O ATOM 89 CB PRO A 9 11.569 -5.171 8.365 1.00 0.00 C ATOM 90 CG PRO A 9 11.575 -4.355 9.611 1.00 0.00 C ATOM 91 CD PRO A 9 12.946 -3.743 9.699 1.00 0.00 C ATOM 0 HA PRO A 9 13.037 -5.062 6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.561 -5.269 7.961 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.937 -6.180 8.551 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.805 -3.584 9.576 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.367 -4.974 10.484 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.917 -2.758 10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.623 -4.357 10.294 1.00 0.00 H new ATOM 99 N GLU A 10 12.093 -3.371 5.245 1.00 0.00 N ATOM 100 CA GLU A 10 11.399 -2.523 4.283 1.00 0.00 C ATOM 101 C GLU A 10 10.875 -3.347 3.110 1.00 0.00 C ATOM 102 O GLU A 10 11.416 -4.407 2.790 1.00 0.00 O ATOM 103 CB GLU A 10 12.332 -1.423 3.772 1.00 0.00 C ATOM 104 CG GLU A 10 12.483 -0.257 4.734 1.00 0.00 C ATOM 105 CD GLU A 10 13.736 0.556 4.474 1.00 0.00 C ATOM 106 OE1 GLU A 10 13.976 0.916 3.302 1.00 0.00 O ATOM 107 OE2 GLU A 10 14.477 0.831 5.440 1.00 0.00 O ATOM 0 H GLU A 10 12.916 -3.845 4.873 1.00 0.00 H new ATOM 0 HA GLU A 10 10.550 -2.063 4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.315 -1.853 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 10 11.954 -1.051 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.611 0.391 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.505 -0.635 5.756 1.00 0.00 H new ATOM 114 N LEU A 11 9.820 -2.853 2.473 1.00 0.00 N ATOM 115 CA LEU A 11 9.221 -3.543 1.335 1.00 0.00 C ATOM 116 C LEU A 11 9.474 -2.778 0.040 1.00 0.00 C ATOM 117 O LEU A 11 9.375 -1.551 0.002 1.00 0.00 O ATOM 118 CB LEU A 11 7.717 -3.718 1.553 1.00 0.00 C ATOM 119 CG LEU A 11 7.286 -5.010 2.247 1.00 0.00 C ATOM 120 CD1 LEU A 11 6.013 -4.785 3.049 1.00 0.00 C ATOM 121 CD2 LEU A 11 7.087 -6.123 1.228 1.00 0.00 C ATOM 0 H LEU A 11 9.361 -1.977 2.724 1.00 0.00 H new ATOM 0 HA LEU A 11 9.686 -4.525 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.355 -2.875 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.221 -3.667 0.584 1.00 0.00 H new ATOM 0 HG LEU A 11 8.076 -5.312 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.721 -5.715 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.190 -4.019 3.805 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.215 -4.459 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.780 -7.035 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.316 -5.830 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.022 -6.302 0.697 1.00 0.00 H new ATOM 133 N LYS A 12 9.798 -3.510 -1.020 1.00 0.00 N ATOM 134 CA LYS A 12 10.061 -2.901 -2.319 1.00 0.00 C ATOM 135 C LYS A 12 9.241 -3.578 -3.413 1.00 0.00 C ATOM 136 O LYS A 12 9.511 -4.720 -3.788 1.00 0.00 O ATOM 137 CB LYS A 12 11.551 -2.991 -2.655 1.00 0.00 C ATOM 138 CG LYS A 12 12.452 -2.400 -1.584 1.00 0.00 C ATOM 139 CD LYS A 12 12.442 -0.881 -1.622 1.00 0.00 C ATOM 140 CE LYS A 12 13.690 -0.299 -0.977 1.00 0.00 C ATOM 141 NZ LYS A 12 13.715 -0.531 0.494 1.00 0.00 N ATOM 0 H LYS A 12 9.885 -4.526 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 12 9.769 -1.852 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.818 -4.037 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.734 -2.475 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.125 -2.742 -0.602 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.471 -2.762 -1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.374 -0.542 -2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.557 -0.509 -1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.575 -0.746 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.736 0.772 -1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.779 0.382 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.844 -1.021 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.539 -1.116 0.739 1.00 0.00 H new ATOM 155 N ASP A 13 8.241 -2.867 -3.922 1.00 0.00 N ATOM 156 CA ASP A 13 7.384 -3.399 -4.975 1.00 0.00 C ATOM 157 C ASP A 13 6.410 -2.335 -5.472 1.00 0.00 C ATOM 158 O ASP A 13 5.888 -1.542 -4.687 1.00 0.00 O ATOM 159 CB ASP A 13 6.612 -4.618 -4.468 1.00 0.00 C ATOM 160 CG ASP A 13 7.399 -5.905 -4.617 1.00 0.00 C ATOM 161 OD1 ASP A 13 8.291 -5.957 -5.490 1.00 0.00 O ATOM 162 OD2 ASP A 13 7.123 -6.861 -3.862 1.00 0.00 O ATOM 0 H ASP A 13 8.004 -1.921 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 13 8.019 -3.702 -5.807 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.356 -4.472 -3.419 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.674 -4.704 -5.016 1.00 0.00 H new ATOM 167 N HIS A 14 6.170 -2.323 -6.779 1.00 0.00 N ATOM 168 CA HIS A 14 5.258 -1.356 -7.380 1.00 0.00 C ATOM 169 C HIS A 14 3.889 -1.981 -7.628 1.00 0.00 C ATOM 170 O HIS A 14 3.747 -2.884 -8.454 1.00 0.00 O ATOM 171 CB HIS A 14 5.835 -0.828 -8.694 1.00 0.00 C ATOM 172 CG HIS A 14 4.824 -0.141 -9.559 1.00 0.00 C ATOM 173 ND1 HIS A 14 4.366 -0.671 -10.747 1.00 0.00 N ATOM 174 CD2 HIS A 14 4.181 1.040 -9.402 1.00 0.00 C ATOM 175 CE1 HIS A 14 3.486 0.155 -11.284 1.00 0.00 C ATOM 176 NE2 HIS A 14 3.355 1.201 -10.488 1.00 0.00 N ATOM 0 H HIS A 14 6.594 -2.972 -7.442 1.00 0.00 H new ATOM 0 HA HIS A 14 5.138 -0.526 -6.684 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.644 -0.132 -8.472 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.272 -1.658 -9.249 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.296 1.727 -8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.962 0.001 -12.216 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.741 1.998 -10.653 1.00 0.00 H new ATOM 185 N LEU A 15 2.884 -1.497 -6.907 1.00 0.00 N ATOM 186 CA LEU A 15 1.525 -2.008 -7.048 1.00 0.00 C ATOM 187 C LEU A 15 0.774 -1.266 -8.149 1.00 0.00 C ATOM 188 O LEU A 15 1.346 -0.428 -8.847 1.00 0.00 O ATOM 189 CB LEU A 15 0.770 -1.878 -5.723 1.00 0.00 C ATOM 190 CG LEU A 15 1.459 -2.475 -4.496 1.00 0.00 C ATOM 191 CD1 LEU A 15 1.065 -1.715 -3.240 1.00 0.00 C ATOM 192 CD2 LEU A 15 1.116 -3.951 -4.358 1.00 0.00 C ATOM 0 H LEU A 15 2.984 -0.751 -6.219 1.00 0.00 H new ATOM 0 HA LEU A 15 1.587 -3.061 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.588 -0.820 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.204 -2.354 -5.835 1.00 0.00 H new ATOM 0 HG LEU A 15 2.537 -2.383 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.565 -2.154 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.362 -0.671 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.015 -1.774 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.615 -4.360 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.038 -4.065 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.450 -4.487 -5.247 1.00 0.00 H new ATOM 204 N ARG A 16 -0.509 -1.577 -8.297 1.00 0.00 N ATOM 205 CA ARG A 16 -1.338 -0.939 -9.313 1.00 0.00 C ATOM 206 C ARG A 16 -1.844 0.416 -8.828 1.00 0.00 C ATOM 207 O ARG A 16 -2.600 0.498 -7.859 1.00 0.00 O ATOM 208 CB ARG A 16 -2.522 -1.838 -9.674 1.00 0.00 C ATOM 209 CG ARG A 16 -2.221 -2.819 -10.796 1.00 0.00 C ATOM 210 CD ARG A 16 -3.492 -3.262 -11.503 1.00 0.00 C ATOM 211 NE ARG A 16 -3.207 -3.974 -12.746 1.00 0.00 N ATOM 212 CZ ARG A 16 -2.757 -5.223 -12.790 1.00 0.00 C ATOM 213 NH1 ARG A 16 -2.543 -5.895 -11.667 1.00 0.00 N ATOM 214 NH2 ARG A 16 -2.521 -5.803 -13.960 1.00 0.00 N ATOM 0 H ARG A 16 -0.998 -2.267 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.725 -0.783 -10.201 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.828 -2.395 -8.788 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.366 -1.213 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.546 -2.355 -11.515 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.706 -3.690 -10.391 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.070 -3.906 -10.840 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.110 -2.390 -11.718 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.362 -3.486 -13.628 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.724 -5.453 -10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.197 -6.854 -11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.685 -5.290 -14.826 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.175 -6.762 -13.993 1.00 0.00 H new ATOM 228 N ILE A 17 -1.422 1.477 -9.508 1.00 0.00 N ATOM 229 CA ILE A 17 -1.832 2.828 -9.147 1.00 0.00 C ATOM 230 C ILE A 17 -2.604 3.491 -10.283 1.00 0.00 C ATOM 231 O ILE A 17 -2.086 3.650 -11.389 1.00 0.00 O ATOM 232 CB ILE A 17 -0.621 3.707 -8.783 1.00 0.00 C ATOM 233 CG1 ILE A 17 0.019 3.219 -7.482 1.00 0.00 C ATOM 234 CG2 ILE A 17 -1.042 5.164 -8.659 1.00 0.00 C ATOM 235 CD1 ILE A 17 1.276 3.971 -7.107 1.00 0.00 C ATOM 0 H ILE A 17 -0.796 1.427 -10.312 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.480 2.738 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 17 0.118 3.629 -9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.705 3.313 -6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.255 2.159 -7.578 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.175 5.773 -8.401 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.456 5.505 -9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.797 5.259 -7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.675 3.571 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.018 3.857 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.043 5.028 -6.978 1.00 0.00 H new ATOM 247 N PHE A 18 -3.844 3.877 -10.004 1.00 0.00 N ATOM 248 CA PHE A 18 -4.687 4.523 -11.002 1.00 0.00 C ATOM 249 C PHE A 18 -5.561 5.598 -10.363 1.00 0.00 C ATOM 250 O PHE A 18 -6.088 5.413 -9.265 1.00 0.00 O ATOM 251 CB PHE A 18 -5.567 3.487 -11.706 1.00 0.00 C ATOM 252 CG PHE A 18 -6.840 4.059 -12.259 1.00 0.00 C ATOM 253 CD1 PHE A 18 -7.876 4.423 -11.414 1.00 0.00 C ATOM 254 CD2 PHE A 18 -7.002 4.233 -13.624 1.00 0.00 C ATOM 255 CE1 PHE A 18 -9.050 4.949 -11.921 1.00 0.00 C ATOM 256 CE2 PHE A 18 -8.173 4.758 -14.137 1.00 0.00 C ATOM 257 CZ PHE A 18 -9.198 5.118 -13.284 1.00 0.00 C ATOM 0 H PHE A 18 -4.288 3.753 -9.094 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.037 4.997 -11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -5.000 3.032 -12.518 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.811 2.691 -11.002 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -7.765 4.294 -10.347 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -6.203 3.955 -14.296 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.851 5.228 -11.252 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.286 4.887 -15.203 1.00 0.00 H new ATOM 0 HZ PHE A 18 -10.113 5.531 -13.682 1.00 0.00 H new ATOM 267 N ARG A 19 -5.709 6.722 -11.057 1.00 0.00 N ATOM 268 CA ARG A 19 -6.517 7.828 -10.557 1.00 0.00 C ATOM 269 C ARG A 19 -7.516 8.292 -11.613 1.00 0.00 C ATOM 270 O ARG A 19 -7.178 8.482 -12.781 1.00 0.00 O ATOM 271 CB ARG A 19 -5.620 8.995 -10.140 1.00 0.00 C ATOM 272 CG ARG A 19 -4.935 8.787 -8.799 1.00 0.00 C ATOM 273 CD ARG A 19 -3.686 9.645 -8.673 1.00 0.00 C ATOM 274 NE ARG A 19 -2.606 9.169 -9.532 1.00 0.00 N ATOM 275 CZ ARG A 19 -1.671 8.315 -9.132 1.00 0.00 C ATOM 276 NH1 ARG A 19 -1.684 7.845 -7.892 1.00 0.00 N ATOM 277 NH2 ARG A 19 -0.720 7.928 -9.973 1.00 0.00 N ATOM 0 H ARG A 19 -5.280 6.891 -11.967 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.071 7.476 -9.687 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.861 9.150 -10.906 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.219 9.905 -10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.628 9.030 -7.994 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.669 7.736 -8.684 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.927 10.676 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.350 9.646 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.567 9.511 -10.492 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.413 8.139 -7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.965 7.189 -7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.707 8.287 -10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.002 7.272 -9.665 1.00 0.00 H new ATOM 291 N PRO A 20 -8.776 8.479 -11.194 1.00 0.00 N ATOM 292 CA PRO A 20 -9.850 8.923 -12.087 1.00 0.00 C ATOM 293 C PRO A 20 -9.677 10.373 -12.525 1.00 0.00 C ATOM 294 O PRO A 20 -10.479 10.898 -13.298 1.00 0.00 O ATOM 295 CB PRO A 20 -11.110 8.770 -11.232 1.00 0.00 C ATOM 296 CG PRO A 20 -10.628 8.874 -9.826 1.00 0.00 C ATOM 297 CD PRO A 20 -9.250 8.271 -9.815 1.00 0.00 C ATOM 0 HA PRO A 20 -9.874 8.347 -13.012 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.839 9.547 -11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.598 7.812 -11.414 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.602 9.913 -9.498 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.292 8.342 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.602 8.762 -9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.276 7.213 -9.554 1.00 0.00 H new ATOM 432 N TYR A 28 -2.478 3.047 -14.122 1.00 0.00 N ATOM 433 CA TYR A 28 -1.654 1.885 -13.808 1.00 0.00 C ATOM 434 C TYR A 28 -0.328 1.939 -14.561 1.00 0.00 C ATOM 435 O TYR A 28 0.059 0.979 -15.228 1.00 0.00 O ATOM 436 CB TYR A 28 -2.400 0.596 -14.157 1.00 0.00 C ATOM 437 CG TYR A 28 -3.638 0.368 -13.319 1.00 0.00 C ATOM 438 CD1 TYR A 28 -3.612 0.547 -11.942 1.00 0.00 C ATOM 439 CD2 TYR A 28 -4.834 -0.028 -13.906 1.00 0.00 C ATOM 440 CE1 TYR A 28 -4.740 0.339 -11.173 1.00 0.00 C ATOM 441 CE2 TYR A 28 -5.968 -0.237 -13.145 1.00 0.00 C ATOM 442 CZ TYR A 28 -5.916 -0.052 -11.779 1.00 0.00 C ATOM 443 OH TYR A 28 -7.043 -0.261 -11.017 1.00 0.00 O ATOM 0 HA TYR A 28 -1.444 1.897 -12.738 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.683 0.623 -15.209 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.725 -0.250 -14.031 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.693 0.854 -11.464 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.878 -0.175 -14.975 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.702 0.482 -10.103 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.890 -0.543 -13.617 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.785 -0.531 -11.598 1.00 0.00 H new ATOM 453 N ARG A 29 0.363 3.068 -14.449 1.00 0.00 N ATOM 454 CA ARG A 29 1.646 3.248 -15.119 1.00 0.00 C ATOM 455 C ARG A 29 2.764 2.550 -14.349 1.00 0.00 C ATOM 456 O ARG A 29 2.547 2.033 -13.254 1.00 0.00 O ATOM 457 CB ARG A 29 1.964 4.737 -15.264 1.00 0.00 C ATOM 458 CG ARG A 29 1.347 5.374 -16.499 1.00 0.00 C ATOM 459 CD ARG A 29 1.892 6.774 -16.734 1.00 0.00 C ATOM 460 NE ARG A 29 3.316 6.761 -17.060 1.00 0.00 N ATOM 461 CZ ARG A 29 3.789 6.516 -18.276 1.00 0.00 C ATOM 462 NH1 ARG A 29 2.956 6.266 -19.277 1.00 0.00 N ATOM 463 NH2 ARG A 29 5.098 6.521 -18.494 1.00 0.00 N ATOM 0 H ARG A 29 0.057 3.872 -13.901 1.00 0.00 H new ATOM 0 HA ARG A 29 1.577 2.800 -16.110 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.609 5.264 -14.378 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.046 4.867 -15.300 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.550 4.752 -17.371 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.264 5.418 -16.385 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.339 7.246 -17.546 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.730 7.380 -15.843 1.00 0.00 H new ATOM 0 HE ARG A 29 3.983 6.951 -16.312 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.949 6.262 -19.114 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.322 6.078 -20.210 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.742 6.713 -17.727 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.460 6.333 -19.429 1.00 0.00 H new ATOM 477 N GLN A 30 3.959 2.541 -14.931 1.00 0.00 N ATOM 478 CA GLN A 30 5.110 1.906 -14.300 1.00 0.00 C ATOM 479 C GLN A 30 5.824 2.878 -13.367 1.00 0.00 C ATOM 480 O GLN A 30 6.592 3.732 -13.811 1.00 0.00 O ATOM 481 CB GLN A 30 6.083 1.394 -15.364 1.00 0.00 C ATOM 482 CG GLN A 30 7.289 0.671 -14.787 1.00 0.00 C ATOM 483 CD GLN A 30 8.282 0.251 -15.853 1.00 0.00 C ATOM 484 OE1 GLN A 30 7.900 -0.237 -16.917 1.00 0.00 O ATOM 485 NE2 GLN A 30 9.567 0.439 -15.573 1.00 0.00 N ATOM 0 H GLN A 30 4.155 2.966 -15.837 1.00 0.00 H new ATOM 0 HA GLN A 30 4.750 1.063 -13.710 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.552 0.719 -16.035 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.427 2.236 -15.965 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.787 1.320 -14.067 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.953 -0.211 -14.241 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.840 0.847 -14.679 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.281 0.176 -16.252 1.00 0.00 H new ATOM 494 N HIS A 31 5.566 2.742 -12.070 1.00 0.00 N ATOM 495 CA HIS A 31 6.184 3.608 -11.072 1.00 0.00 C ATOM 496 C HIS A 31 6.899 2.785 -10.005 1.00 0.00 C ATOM 497 O HIS A 31 6.755 1.563 -9.952 1.00 0.00 O ATOM 498 CB HIS A 31 5.130 4.505 -10.421 1.00 0.00 C ATOM 499 CG HIS A 31 4.464 5.441 -11.381 1.00 0.00 C ATOM 500 ND1 HIS A 31 4.303 6.787 -11.131 1.00 0.00 N ATOM 501 CD2 HIS A 31 3.916 5.218 -12.599 1.00 0.00 C ATOM 502 CE1 HIS A 31 3.684 7.352 -12.152 1.00 0.00 C ATOM 503 NE2 HIS A 31 3.439 6.421 -13.057 1.00 0.00 N ATOM 0 H HIS A 31 4.933 2.040 -11.686 1.00 0.00 H new ATOM 0 HA HIS A 31 6.921 4.233 -11.576 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.371 3.878 -9.952 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.599 5.086 -9.627 1.00 0.00 H new ATOM 0 HD1 HIS A 31 4.614 7.271 -10.289 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.864 4.270 -13.114 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.423 8.397 -12.233 1.00 0.00 H new ATOM 512 N TRP A 32 7.668 3.461 -9.160 1.00 0.00 N ATOM 513 CA TRP A 32 8.405 2.791 -8.095 1.00 0.00 C ATOM 514 C TRP A 32 7.862 3.183 -6.726 1.00 0.00 C ATOM 515 O TRP A 32 7.772 4.367 -6.398 1.00 0.00 O ATOM 516 CB TRP A 32 9.894 3.133 -8.184 1.00 0.00 C ATOM 517 CG TRP A 32 10.729 2.418 -7.166 1.00 0.00 C ATOM 518 CD1 TRP A 32 11.513 2.987 -6.203 1.00 0.00 C ATOM 519 CD2 TRP A 32 10.866 1.001 -7.012 1.00 0.00 C ATOM 520 NE1 TRP A 32 12.129 2.009 -5.459 1.00 0.00 N ATOM 521 CE2 TRP A 32 11.747 0.782 -5.935 1.00 0.00 C ATOM 522 CE3 TRP A 32 10.328 -0.104 -7.677 1.00 0.00 C ATOM 523 CZ2 TRP A 32 12.102 -0.496 -5.512 1.00 0.00 C ATOM 524 CZ3 TRP A 32 10.681 -1.372 -7.256 1.00 0.00 C ATOM 525 CH2 TRP A 32 11.560 -1.560 -6.181 1.00 0.00 C ATOM 0 H TRP A 32 7.798 4.472 -9.191 1.00 0.00 H new ATOM 0 HA TRP A 32 8.278 1.716 -8.221 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.258 2.885 -9.181 1.00 0.00 H new ATOM 0 HB3 TRP A 32 10.021 4.208 -8.057 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.631 4.049 -6.049 1.00 0.00 H new ATOM 0 HE1 TRP A 32 12.767 2.170 -4.679 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.648 0.031 -8.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 12.781 -0.643 -4.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 10.272 -2.233 -7.764 1.00 0.00 H new ATOM 0 HH2 TRP A 32 11.815 -2.564 -5.874 1.00 0.00 H new ATOM 536 N VAL A 33 7.499 2.183 -5.928 1.00 0.00 N ATOM 537 CA VAL A 33 6.966 2.425 -4.593 1.00 0.00 C ATOM 538 C VAL A 33 7.848 1.788 -3.525 1.00 0.00 C ATOM 539 O VAL A 33 8.441 0.732 -3.743 1.00 0.00 O ATOM 540 CB VAL A 33 5.533 1.877 -4.454 1.00 0.00 C ATOM 541 CG1 VAL A 33 4.937 2.273 -3.112 1.00 0.00 C ATOM 542 CG2 VAL A 33 4.661 2.368 -5.600 1.00 0.00 C ATOM 0 H VAL A 33 7.565 1.198 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 33 6.950 3.505 -4.449 1.00 0.00 H new ATOM 0 HB VAL A 33 5.573 0.789 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.925 1.877 -3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.550 1.867 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.909 3.360 -3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.652 1.971 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.626 3.457 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.079 2.028 -6.547 1.00 0.00 H new ATOM 552 N VAL A 34 7.929 2.438 -2.368 1.00 0.00 N ATOM 553 CA VAL A 34 8.737 1.935 -1.264 1.00 0.00 C ATOM 554 C VAL A 34 8.025 2.125 0.070 1.00 0.00 C ATOM 555 O VAL A 34 7.711 3.249 0.464 1.00 0.00 O ATOM 556 CB VAL A 34 10.107 2.636 -1.207 1.00 0.00 C ATOM 557 CG1 VAL A 34 10.889 2.181 0.017 1.00 0.00 C ATOM 558 CG2 VAL A 34 10.895 2.371 -2.481 1.00 0.00 C ATOM 0 H VAL A 34 7.445 3.314 -2.171 1.00 0.00 H new ATOM 0 HA VAL A 34 8.889 0.870 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 34 9.942 3.710 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.854 2.687 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 34 10.328 2.427 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.045 1.103 -0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 34 11.860 2.874 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 34 11.051 1.298 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.339 2.751 -3.338 1.00 0.00 H new ATOM 568 N PHE A 35 7.772 1.020 0.763 1.00 0.00 N ATOM 569 CA PHE A 35 7.096 1.065 2.054 1.00 0.00 C ATOM 570 C PHE A 35 8.107 1.074 3.198 1.00 0.00 C ATOM 571 O PHE A 35 9.067 0.304 3.200 1.00 0.00 O ATOM 572 CB PHE A 35 6.153 -0.132 2.202 1.00 0.00 C ATOM 573 CG PHE A 35 5.633 -0.315 3.599 1.00 0.00 C ATOM 574 CD1 PHE A 35 4.934 0.700 4.231 1.00 0.00 C ATOM 575 CD2 PHE A 35 5.841 -1.504 4.279 1.00 0.00 C ATOM 576 CE1 PHE A 35 4.453 0.535 5.517 1.00 0.00 C ATOM 577 CE2 PHE A 35 5.362 -1.676 5.564 1.00 0.00 C ATOM 578 CZ PHE A 35 4.669 -0.655 6.184 1.00 0.00 C ATOM 0 H PHE A 35 8.025 0.082 0.452 1.00 0.00 H new ATOM 0 HA PHE A 35 6.514 1.986 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.310 -0.007 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.677 -1.037 1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.762 1.632 3.713 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.384 -2.305 3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.910 1.335 5.999 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.530 -2.608 6.083 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.296 -0.787 7.189 1.00 0.00 H new ATOM 588 N LYS A 36 7.884 1.953 4.169 1.00 0.00 N ATOM 589 CA LYS A 36 8.773 2.065 5.319 1.00 0.00 C ATOM 590 C LYS A 36 8.030 1.748 6.613 1.00 0.00 C ATOM 591 O LYS A 36 6.805 1.848 6.677 1.00 0.00 O ATOM 592 CB LYS A 36 9.371 3.472 5.393 1.00 0.00 C ATOM 593 CG LYS A 36 10.206 3.713 6.638 1.00 0.00 C ATOM 594 CD LYS A 36 11.458 2.852 6.645 1.00 0.00 C ATOM 595 CE LYS A 36 12.620 3.551 5.956 1.00 0.00 C ATOM 596 NZ LYS A 36 13.422 4.366 6.910 1.00 0.00 N ATOM 0 H LYS A 36 7.094 2.599 4.182 1.00 0.00 H new ATOM 0 HA LYS A 36 9.579 1.341 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.990 3.641 4.512 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.563 4.203 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.486 4.765 6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.610 3.497 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.732 2.616 7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.253 1.906 6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.263 2.808 5.484 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.238 4.193 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.204 4.826 6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.815 5.092 7.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.808 3.750 7.654 1.00 0.00 H new ATOM 610 N GLU A 37 8.780 1.367 7.643 1.00 0.00 N ATOM 611 CA GLU A 37 8.191 1.037 8.935 1.00 0.00 C ATOM 612 C GLU A 37 6.928 1.857 9.183 1.00 0.00 C ATOM 613 O GLU A 37 5.815 1.331 9.150 1.00 0.00 O ATOM 614 CB GLU A 37 9.201 1.283 10.059 1.00 0.00 C ATOM 615 CG GLU A 37 10.493 0.499 9.898 1.00 0.00 C ATOM 616 CD GLU A 37 11.221 0.300 11.213 1.00 0.00 C ATOM 617 OE1 GLU A 37 11.869 1.258 11.682 1.00 0.00 O ATOM 618 OE2 GLU A 37 11.144 -0.814 11.772 1.00 0.00 O ATOM 0 H GLU A 37 9.796 1.279 7.607 1.00 0.00 H new ATOM 0 HA GLU A 37 7.921 -0.019 8.923 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.434 2.347 10.100 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.742 1.020 11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.271 -0.474 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.147 1.022 9.200 1.00 0.00 H new ATOM 625 N THR A 38 7.109 3.151 9.433 1.00 0.00 N ATOM 626 CA THR A 38 5.986 4.044 9.689 1.00 0.00 C ATOM 627 C THR A 38 5.940 5.175 8.668 1.00 0.00 C ATOM 628 O THR A 38 5.369 6.235 8.925 1.00 0.00 O ATOM 629 CB THR A 38 6.059 4.647 11.104 1.00 0.00 C ATOM 630 OG1 THR A 38 7.426 4.859 11.476 1.00 0.00 O ATOM 631 CG2 THR A 38 5.388 3.733 12.117 1.00 0.00 C ATOM 0 H THR A 38 8.023 3.603 9.463 1.00 0.00 H new ATOM 0 HA THR A 38 5.079 3.445 9.604 1.00 0.00 H new ATOM 0 HB THR A 38 5.533 5.602 11.096 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.464 5.244 12.376 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.452 4.180 13.109 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.341 3.598 11.847 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.889 2.765 12.122 1.00 0.00 H new ATOM 639 N THR A 39 6.545 4.944 7.507 1.00 0.00 N ATOM 640 CA THR A 39 6.574 5.944 6.447 1.00 0.00 C ATOM 641 C THR A 39 6.361 5.302 5.080 1.00 0.00 C ATOM 642 O THR A 39 6.427 4.080 4.939 1.00 0.00 O ATOM 643 CB THR A 39 7.907 6.715 6.438 1.00 0.00 C ATOM 644 OG1 THR A 39 8.306 7.019 7.779 1.00 0.00 O ATOM 645 CG2 THR A 39 7.782 8.002 5.636 1.00 0.00 C ATOM 0 H THR A 39 7.022 4.072 7.277 1.00 0.00 H new ATOM 0 HA THR A 39 5.761 6.642 6.648 1.00 0.00 H new ATOM 0 HB THR A 39 8.663 6.085 5.969 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.155 7.508 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.736 8.530 5.644 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.507 7.765 4.608 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.014 8.635 6.081 1.00 0.00 H new ATOM 653 N LEU A 40 6.108 6.133 4.075 1.00 0.00 N ATOM 654 CA LEU A 40 5.887 5.647 2.718 1.00 0.00 C ATOM 655 C LEU A 40 6.352 6.673 1.689 1.00 0.00 C ATOM 656 O LEU A 40 6.109 7.870 1.839 1.00 0.00 O ATOM 657 CB LEU A 40 4.406 5.329 2.504 1.00 0.00 C ATOM 658 CG LEU A 40 4.084 4.365 1.362 1.00 0.00 C ATOM 659 CD1 LEU A 40 2.792 3.614 1.644 1.00 0.00 C ATOM 660 CD2 LEU A 40 3.990 5.115 0.041 1.00 0.00 C ATOM 0 H LEU A 40 6.051 7.147 4.174 1.00 0.00 H new ATOM 0 HA LEU A 40 6.471 4.736 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.008 4.911 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.877 6.265 2.323 1.00 0.00 H new ATOM 0 HG LEU A 40 4.893 3.638 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.580 2.933 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.896 3.045 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.973 4.325 1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.760 4.413 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.201 5.865 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.941 5.605 -0.168 1.00 0.00 H new ATOM 672 N SER A 41 7.020 6.195 0.645 1.00 0.00 N ATOM 673 CA SER A 41 7.521 7.070 -0.408 1.00 0.00 C ATOM 674 C SER A 41 7.347 6.425 -1.780 1.00 0.00 C ATOM 675 O SER A 41 7.701 5.263 -1.981 1.00 0.00 O ATOM 676 CB SER A 41 8.996 7.399 -0.169 1.00 0.00 C ATOM 677 OG SER A 41 9.210 7.845 1.158 1.00 0.00 O ATOM 0 H SER A 41 7.227 5.206 0.505 1.00 0.00 H new ATOM 0 HA SER A 41 6.942 7.993 -0.384 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.605 6.516 -0.362 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.319 8.168 -0.871 1.00 0.00 H new ATOM 0 HG SER A 41 10.160 8.047 1.286 1.00 0.00 H new ATOM 683 N TYR A 42 6.801 7.187 -2.720 1.00 0.00 N ATOM 684 CA TYR A 42 6.578 6.690 -4.073 1.00 0.00 C ATOM 685 C TYR A 42 7.123 7.667 -5.109 1.00 0.00 C ATOM 686 O TYR A 42 7.028 8.883 -4.943 1.00 0.00 O ATOM 687 CB TYR A 42 5.085 6.455 -4.313 1.00 0.00 C ATOM 688 CG TYR A 42 4.342 7.693 -4.763 1.00 0.00 C ATOM 689 CD1 TYR A 42 4.337 8.845 -3.987 1.00 0.00 C ATOM 690 CD2 TYR A 42 3.647 7.710 -5.966 1.00 0.00 C ATOM 691 CE1 TYR A 42 3.659 9.978 -4.395 1.00 0.00 C ATOM 692 CE2 TYR A 42 2.967 8.839 -6.382 1.00 0.00 C ATOM 693 CZ TYR A 42 2.976 9.970 -5.593 1.00 0.00 C ATOM 694 OH TYR A 42 2.301 11.096 -6.003 1.00 0.00 O ATOM 0 H TYR A 42 6.504 8.151 -2.571 1.00 0.00 H new ATOM 0 HA TYR A 42 7.110 5.744 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.965 5.676 -5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.632 6.083 -3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.872 8.855 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.638 6.826 -6.586 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.664 10.865 -3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.431 8.836 -7.320 1.00 0.00 H new ATOM 0 HH TYR A 42 1.874 10.924 -6.868 1.00 0.00 H new ATOM 704 N TYR A 43 7.695 7.126 -6.179 1.00 0.00 N ATOM 705 CA TYR A 43 8.258 7.949 -7.243 1.00 0.00 C ATOM 706 C TYR A 43 7.543 7.693 -8.566 1.00 0.00 C ATOM 707 O TYR A 43 6.689 6.811 -8.664 1.00 0.00 O ATOM 708 CB TYR A 43 9.754 7.668 -7.397 1.00 0.00 C ATOM 709 CG TYR A 43 10.471 7.469 -6.080 1.00 0.00 C ATOM 710 CD1 TYR A 43 10.255 6.330 -5.314 1.00 0.00 C ATOM 711 CD2 TYR A 43 11.363 8.420 -5.602 1.00 0.00 C ATOM 712 CE1 TYR A 43 10.907 6.144 -4.111 1.00 0.00 C ATOM 713 CE2 TYR A 43 12.020 8.243 -4.400 1.00 0.00 C ATOM 714 CZ TYR A 43 11.789 7.103 -3.658 1.00 0.00 C ATOM 715 OH TYR A 43 12.441 6.923 -2.460 1.00 0.00 O ATOM 0 H TYR A 43 7.781 6.121 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 43 8.117 8.995 -6.971 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.887 6.778 -8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.218 8.497 -7.932 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.565 5.577 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.546 9.314 -6.180 1.00 0.00 H new ATOM 0 HE1 TYR A 43 10.727 5.253 -3.528 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.711 8.993 -4.043 1.00 0.00 H new ATOM 0 HH TYR A 43 13.027 7.690 -2.288 1.00 0.00 H new ATOM 725 N LYS A 44 7.899 8.469 -9.584 1.00 0.00 N ATOM 726 CA LYS A 44 7.295 8.328 -10.903 1.00 0.00 C ATOM 727 C LYS A 44 7.902 7.149 -11.656 1.00 0.00 C ATOM 728 O LYS A 44 7.186 6.352 -12.262 1.00 0.00 O ATOM 729 CB LYS A 44 7.481 9.614 -11.713 1.00 0.00 C ATOM 730 CG LYS A 44 6.797 10.823 -11.098 1.00 0.00 C ATOM 731 CD LYS A 44 6.703 11.972 -12.088 1.00 0.00 C ATOM 732 CE LYS A 44 6.067 13.201 -11.455 1.00 0.00 C ATOM 733 NZ LYS A 44 7.051 13.986 -10.659 1.00 0.00 N ATOM 0 H LYS A 44 8.604 9.203 -9.520 1.00 0.00 H new ATOM 0 HA LYS A 44 6.230 8.141 -10.769 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.547 9.821 -11.812 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.092 9.459 -12.719 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.797 10.546 -10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.350 11.146 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.699 12.223 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.117 11.662 -12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.644 13.834 -12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.243 12.893 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.579 14.815 -10.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.437 13.390 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.825 14.302 -11.278 1.00 0.00 H new ATOM 747 N SER A 45 9.226 7.043 -11.613 1.00 0.00 N ATOM 748 CA SER A 45 9.930 5.962 -12.293 1.00 0.00 C ATOM 749 C SER A 45 11.152 5.522 -11.494 1.00 0.00 C ATOM 750 O SER A 45 11.944 6.350 -11.045 1.00 0.00 O ATOM 751 CB SER A 45 10.355 6.404 -13.695 1.00 0.00 C ATOM 752 OG SER A 45 9.230 6.755 -14.482 1.00 0.00 O ATOM 0 H SER A 45 9.833 7.693 -11.114 1.00 0.00 H new ATOM 0 HA SER A 45 9.249 5.115 -12.378 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.031 7.256 -13.622 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.907 5.600 -14.182 1.00 0.00 H new ATOM 0 HG SER A 45 9.528 7.035 -15.372 1.00 0.00 H new ATOM 758 N GLN A 46 11.298 4.212 -11.320 1.00 0.00 N ATOM 759 CA GLN A 46 12.423 3.661 -10.574 1.00 0.00 C ATOM 760 C GLN A 46 13.714 4.401 -10.911 1.00 0.00 C ATOM 761 O GLN A 46 14.382 4.937 -10.027 1.00 0.00 O ATOM 762 CB GLN A 46 12.582 2.170 -10.877 1.00 0.00 C ATOM 763 CG GLN A 46 13.289 1.398 -9.775 1.00 0.00 C ATOM 764 CD GLN A 46 13.223 -0.103 -9.980 1.00 0.00 C ATOM 765 OE1 GLN A 46 12.241 -0.626 -10.507 1.00 0.00 O ATOM 766 NE2 GLN A 46 14.270 -0.805 -9.562 1.00 0.00 N ATOM 0 H GLN A 46 10.651 3.513 -11.686 1.00 0.00 H new ATOM 0 HA GLN A 46 12.219 3.789 -9.511 1.00 0.00 H new ATOM 0 HB2 GLN A 46 11.597 1.734 -11.040 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.140 2.054 -11.806 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.333 1.709 -9.730 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.840 1.650 -8.814 1.00 0.00 H new ATOM 0 HE21 GLN A 46 15.063 -0.330 -9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.281 -1.819 -9.673 1.00 0.00 H new ATOM 775 N ASP A 47 14.058 4.425 -12.194 1.00 0.00 N ATOM 776 CA ASP A 47 15.269 5.099 -12.647 1.00 0.00 C ATOM 777 C ASP A 47 15.531 6.358 -11.825 1.00 0.00 C ATOM 778 O ASP A 47 16.609 6.526 -11.257 1.00 0.00 O ATOM 779 CB ASP A 47 15.153 5.458 -14.130 1.00 0.00 C ATOM 780 CG ASP A 47 13.724 5.741 -14.547 1.00 0.00 C ATOM 781 OD1 ASP A 47 12.997 4.776 -14.868 1.00 0.00 O ATOM 782 OD2 ASP A 47 13.330 6.926 -14.552 1.00 0.00 O ATOM 0 H ASP A 47 13.516 3.986 -12.938 1.00 0.00 H new ATOM 0 HA ASP A 47 16.108 4.417 -12.510 1.00 0.00 H new ATOM 0 HB2 ASP A 47 15.769 6.333 -14.338 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.548 4.639 -14.731 1.00 0.00 H new ATOM 787 N GLU A 48 14.537 7.239 -11.768 1.00 0.00 N ATOM 788 CA GLU A 48 14.661 8.482 -11.017 1.00 0.00 C ATOM 789 C GLU A 48 15.400 8.252 -9.702 1.00 0.00 C ATOM 790 O GLU A 48 16.417 8.890 -9.429 1.00 0.00 O ATOM 791 CB GLU A 48 13.279 9.078 -10.741 1.00 0.00 C ATOM 792 CG GLU A 48 12.574 9.583 -11.988 1.00 0.00 C ATOM 793 CD GLU A 48 11.647 10.749 -11.702 1.00 0.00 C ATOM 794 OE1 GLU A 48 12.055 11.663 -10.955 1.00 0.00 O ATOM 795 OE2 GLU A 48 10.514 10.748 -12.226 1.00 0.00 O ATOM 0 H GLU A 48 13.638 7.115 -12.233 1.00 0.00 H new ATOM 0 HA GLU A 48 15.237 9.184 -11.620 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.656 8.323 -10.262 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.382 9.901 -10.034 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.318 9.887 -12.724 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.001 8.769 -12.432 1.00 0.00 H new ATOM 802 N ALA A 49 14.881 7.336 -8.891 1.00 0.00 N ATOM 803 CA ALA A 49 15.491 7.020 -7.606 1.00 0.00 C ATOM 804 C ALA A 49 17.007 6.902 -7.732 1.00 0.00 C ATOM 805 O ALA A 49 17.537 6.477 -8.759 1.00 0.00 O ATOM 806 CB ALA A 49 14.904 5.734 -7.045 1.00 0.00 C ATOM 0 H ALA A 49 14.039 6.800 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 49 15.273 7.836 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.369 5.510 -6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.829 5.854 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.092 4.915 -7.739 1.00 0.00 H new ATOM 812 N PRO A 50 17.722 7.286 -6.664 1.00 0.00 N ATOM 813 CA PRO A 50 17.102 7.794 -5.437 1.00 0.00 C ATOM 814 C PRO A 50 16.471 9.168 -5.632 1.00 0.00 C ATOM 815 O PRO A 50 15.354 9.419 -5.182 1.00 0.00 O ATOM 816 CB PRO A 50 18.274 7.877 -4.456 1.00 0.00 C ATOM 817 CG PRO A 50 19.479 8.030 -5.317 1.00 0.00 C ATOM 818 CD PRO A 50 19.191 7.255 -6.573 1.00 0.00 C ATOM 0 HA PRO A 50 16.288 7.154 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.163 8.722 -3.777 1.00 0.00 H new ATOM 0 HB3 PRO A 50 18.339 6.980 -3.840 1.00 0.00 H new ATOM 0 HG2 PRO A 50 19.668 9.080 -5.541 1.00 0.00 H new ATOM 0 HG3 PRO A 50 20.368 7.646 -4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.657 7.715 -7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.568 6.234 -6.511 1.00 0.00 H new ATOM 826 N GLY A 51 17.195 10.057 -6.306 1.00 0.00 N ATOM 827 CA GLY A 51 16.690 11.395 -6.548 1.00 0.00 C ATOM 828 C GLY A 51 15.878 11.928 -5.384 1.00 0.00 C ATOM 829 O GLY A 51 16.436 12.350 -4.371 1.00 0.00 O ATOM 0 H GLY A 51 18.123 9.874 -6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.527 12.066 -6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.072 11.390 -7.446 1.00 0.00 H new ATOM 833 N ASP A 52 14.558 11.910 -5.529 1.00 0.00 N ATOM 834 CA ASP A 52 13.667 12.396 -4.482 1.00 0.00 C ATOM 835 C ASP A 52 12.256 11.849 -4.671 1.00 0.00 C ATOM 836 O ASP A 52 11.722 11.809 -5.779 1.00 0.00 O ATOM 837 CB ASP A 52 13.638 13.926 -4.476 1.00 0.00 C ATOM 838 CG ASP A 52 13.372 14.504 -5.852 1.00 0.00 C ATOM 839 OD1 ASP A 52 14.149 14.205 -6.783 1.00 0.00 O ATOM 840 OD2 ASP A 52 12.385 15.256 -5.999 1.00 0.00 O ATOM 0 H ASP A 52 14.081 11.564 -6.362 1.00 0.00 H new ATOM 0 HA ASP A 52 14.048 12.044 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.868 14.269 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.591 14.303 -4.104 1.00 0.00 H new ATOM 845 N PRO A 53 11.636 11.415 -3.563 1.00 0.00 N ATOM 846 CA PRO A 53 10.279 10.861 -3.581 1.00 0.00 C ATOM 847 C PRO A 53 9.224 11.922 -3.875 1.00 0.00 C ATOM 848 O PRO A 53 9.214 12.988 -3.258 1.00 0.00 O ATOM 849 CB PRO A 53 10.102 10.308 -2.165 1.00 0.00 C ATOM 850 CG PRO A 53 11.037 11.110 -1.326 1.00 0.00 C ATOM 851 CD PRO A 53 12.212 11.432 -2.208 1.00 0.00 C ATOM 0 HA PRO A 53 10.155 10.112 -4.364 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.072 10.415 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.343 9.246 -2.122 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.557 12.021 -0.968 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.352 10.548 -0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.642 12.404 -1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.009 10.696 -2.101 1.00 0.00 H new ATOM 859 N ILE A 54 8.337 11.623 -4.818 1.00 0.00 N ATOM 860 CA ILE A 54 7.277 12.551 -5.191 1.00 0.00 C ATOM 861 C ILE A 54 6.648 13.191 -3.958 1.00 0.00 C ATOM 862 O ILE A 54 6.553 14.414 -3.863 1.00 0.00 O ATOM 863 CB ILE A 54 6.177 11.850 -6.010 1.00 0.00 C ATOM 864 CG1 ILE A 54 6.750 11.319 -7.326 1.00 0.00 C ATOM 865 CG2 ILE A 54 5.024 12.805 -6.275 1.00 0.00 C ATOM 866 CD1 ILE A 54 5.930 10.204 -7.936 1.00 0.00 C ATOM 0 H ILE A 54 8.331 10.745 -5.338 1.00 0.00 H new ATOM 0 HA ILE A 54 7.737 13.325 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 54 5.798 11.006 -5.434 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.820 12.140 -8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.764 10.960 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.255 12.295 -6.855 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.602 13.138 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.387 13.668 -6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.395 9.877 -8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.881 9.366 -7.241 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.922 10.564 -8.142 1.00 0.00 H new ATOM 878 N GLN A 55 6.221 12.355 -3.017 1.00 0.00 N ATOM 879 CA GLN A 55 5.601 12.840 -1.790 1.00 0.00 C ATOM 880 C GLN A 55 5.979 11.958 -0.604 1.00 0.00 C ATOM 881 O GLN A 55 5.996 10.732 -0.712 1.00 0.00 O ATOM 882 CB GLN A 55 4.080 12.884 -1.944 1.00 0.00 C ATOM 883 CG GLN A 55 3.388 11.601 -1.512 1.00 0.00 C ATOM 884 CD GLN A 55 2.025 11.429 -2.153 1.00 0.00 C ATOM 885 OE1 GLN A 55 1.178 12.443 -2.023 1.00 0.00 O flip ATOM 886 NE2 GLN A 55 1.736 10.397 -2.759 1.00 0.00 N flip ATOM 0 H GLN A 55 6.293 11.340 -3.081 1.00 0.00 H new ATOM 0 HA GLN A 55 5.969 13.849 -1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.687 13.714 -1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.834 13.086 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.017 10.749 -1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.278 11.599 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.418 9.642 -2.835 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.815 10.297 -3.185 1.00 0.00 H new ATOM 895 N GLN A 56 6.283 12.590 0.525 1.00 0.00 N ATOM 896 CA GLN A 56 6.662 11.862 1.730 1.00 0.00 C ATOM 897 C GLN A 56 5.667 12.120 2.857 1.00 0.00 C ATOM 898 O GLN A 56 5.665 13.193 3.463 1.00 0.00 O ATOM 899 CB GLN A 56 8.069 12.264 2.173 1.00 0.00 C ATOM 900 CG GLN A 56 8.213 13.748 2.470 1.00 0.00 C ATOM 901 CD GLN A 56 9.661 14.187 2.565 1.00 0.00 C ATOM 902 OE1 GLN A 56 10.576 13.415 2.275 1.00 0.00 O ATOM 903 NE2 GLN A 56 9.877 15.432 2.972 1.00 0.00 N ATOM 0 H GLN A 56 6.274 13.605 0.630 1.00 0.00 H new ATOM 0 HA GLN A 56 6.653 10.797 1.499 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.336 11.696 3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 56 8.779 11.987 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.714 14.321 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.706 13.978 3.407 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.089 16.037 3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.831 15.783 3.055 1.00 0.00 H new ATOM 912 N LEU A 57 4.824 11.132 3.134 1.00 0.00 N ATOM 913 CA LEU A 57 3.824 11.252 4.189 1.00 0.00 C ATOM 914 C LEU A 57 4.077 10.235 5.297 1.00 0.00 C ATOM 915 O LEU A 57 4.811 9.266 5.108 1.00 0.00 O ATOM 916 CB LEU A 57 2.420 11.057 3.613 1.00 0.00 C ATOM 917 CG LEU A 57 2.190 11.610 2.206 1.00 0.00 C ATOM 918 CD1 LEU A 57 1.006 10.919 1.548 1.00 0.00 C ATOM 919 CD2 LEU A 57 1.971 13.116 2.254 1.00 0.00 C ATOM 0 H LEU A 57 4.813 10.238 2.643 1.00 0.00 H new ATOM 0 HA LEU A 57 3.899 12.252 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.198 9.990 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.704 11.526 4.288 1.00 0.00 H new ATOM 0 HG LEU A 57 3.079 11.411 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.857 11.325 0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.201 9.849 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.109 11.087 2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.809 13.492 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.098 13.337 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.849 13.598 2.684 1.00 0.00 H new ATOM 931 N ASN A 58 3.461 10.462 6.453 1.00 0.00 N ATOM 932 CA ASN A 58 3.618 9.564 7.592 1.00 0.00 C ATOM 933 C ASN A 58 2.351 8.744 7.817 1.00 0.00 C ATOM 934 O ASN A 58 1.404 9.207 8.454 1.00 0.00 O ATOM 935 CB ASN A 58 3.954 10.361 8.854 1.00 0.00 C ATOM 936 CG ASN A 58 4.185 9.468 10.057 1.00 0.00 C ATOM 937 OD1 ASN A 58 3.926 9.999 11.247 1.00 0.00 O flip ATOM 938 ND2 ASN A 58 4.591 8.314 9.919 1.00 0.00 N flip ATOM 0 H ASN A 58 2.849 11.259 6.626 1.00 0.00 H new ATOM 0 HA ASN A 58 4.438 8.880 7.373 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.846 10.962 8.674 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.141 11.054 9.070 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.777 7.947 8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.741 7.725 10.738 1.00 0.00 H new ATOM 945 N LEU A 59 2.341 7.524 7.291 1.00 0.00 N ATOM 946 CA LEU A 59 1.191 6.638 7.434 1.00 0.00 C ATOM 947 C LEU A 59 0.518 6.835 8.789 1.00 0.00 C ATOM 948 O LEU A 59 -0.705 6.765 8.903 1.00 0.00 O ATOM 949 CB LEU A 59 1.623 5.180 7.273 1.00 0.00 C ATOM 950 CG LEU A 59 1.831 4.696 5.838 1.00 0.00 C ATOM 951 CD1 LEU A 59 2.629 3.401 5.821 1.00 0.00 C ATOM 952 CD2 LEU A 59 0.492 4.508 5.139 1.00 0.00 C ATOM 0 H LEU A 59 3.117 7.126 6.762 1.00 0.00 H new ATOM 0 HA LEU A 59 0.472 6.886 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.553 5.035 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.872 4.545 7.744 1.00 0.00 H new ATOM 0 HG LEU A 59 2.397 5.455 5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.767 3.072 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.603 3.567 6.282 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.090 2.634 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.659 4.163 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.100 3.769 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.044 5.457 5.118 1.00 0.00 H new ATOM 964 N LYS A 60 1.326 7.084 9.814 1.00 0.00 N ATOM 965 CA LYS A 60 0.810 7.295 11.162 1.00 0.00 C ATOM 966 C LYS A 60 -0.125 8.499 11.204 1.00 0.00 C ATOM 967 O LYS A 60 0.322 9.645 11.210 1.00 0.00 O ATOM 968 CB LYS A 60 1.964 7.498 12.146 1.00 0.00 C ATOM 969 CG LYS A 60 1.531 7.487 13.602 1.00 0.00 C ATOM 970 CD LYS A 60 2.635 6.970 14.509 1.00 0.00 C ATOM 971 CE LYS A 60 3.537 8.098 14.988 1.00 0.00 C ATOM 972 NZ LYS A 60 4.717 7.584 15.736 1.00 0.00 N ATOM 0 H LYS A 60 2.341 7.145 9.737 1.00 0.00 H new ATOM 0 HA LYS A 60 0.246 6.408 11.451 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.705 6.714 11.990 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.453 8.447 11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.251 8.495 13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.645 6.863 13.714 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.194 6.465 15.369 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.230 6.229 13.974 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.876 8.681 14.132 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.967 8.772 15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.307 8.383 16.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.395 7.049 16.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.275 6.961 15.118 1.00 0.00 H new ATOM 986 N GLY A 61 -1.427 8.230 11.234 1.00 0.00 N ATOM 987 CA GLY A 61 -2.405 9.302 11.277 1.00 0.00 C ATOM 988 C GLY A 61 -3.431 9.196 10.166 1.00 0.00 C ATOM 989 O GLY A 61 -4.614 9.465 10.377 1.00 0.00 O ATOM 0 H GLY A 61 -1.822 7.290 11.229 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.914 9.286 12.240 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.892 10.261 11.203 1.00 0.00 H new ATOM 993 N CYS A 62 -2.977 8.805 8.980 1.00 0.00 N ATOM 994 CA CYS A 62 -3.864 8.667 7.830 1.00 0.00 C ATOM 995 C CYS A 62 -4.991 7.684 8.128 1.00 0.00 C ATOM 996 O CYS A 62 -5.049 7.101 9.211 1.00 0.00 O ATOM 997 CB CYS A 62 -3.076 8.202 6.605 1.00 0.00 C ATOM 998 SG CYS A 62 -2.630 6.449 6.636 1.00 0.00 S ATOM 0 H CYS A 62 -2.001 8.578 8.790 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.303 9.643 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.666 8.400 5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.166 8.796 6.525 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.676 6.259 7.499 1.00 0.00 H new ATOM 1004 N GLU A 63 -5.886 7.506 7.161 1.00 0.00 N ATOM 1005 CA GLU A 63 -7.013 6.595 7.322 1.00 0.00 C ATOM 1006 C GLU A 63 -6.817 5.334 6.485 1.00 0.00 C ATOM 1007 O GLU A 63 -5.980 5.298 5.583 1.00 0.00 O ATOM 1008 CB GLU A 63 -8.318 7.287 6.923 1.00 0.00 C ATOM 1009 CG GLU A 63 -9.536 6.765 7.666 1.00 0.00 C ATOM 1010 CD GLU A 63 -9.388 6.865 9.172 1.00 0.00 C ATOM 1011 OE1 GLU A 63 -9.673 7.948 9.726 1.00 0.00 O ATOM 1012 OE2 GLU A 63 -8.988 5.861 9.797 1.00 0.00 O ATOM 0 H GLU A 63 -5.852 7.980 6.259 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.068 6.309 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.222 8.357 7.106 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.474 7.159 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.416 7.327 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.707 5.725 7.390 1.00 0.00 H new ATOM 1019 N VAL A 64 -7.596 4.301 6.790 1.00 0.00 N ATOM 1020 CA VAL A 64 -7.510 3.038 6.067 1.00 0.00 C ATOM 1021 C VAL A 64 -8.897 2.481 5.767 1.00 0.00 C ATOM 1022 O VAL A 64 -9.700 2.263 6.675 1.00 0.00 O ATOM 1023 CB VAL A 64 -6.708 1.990 6.861 1.00 0.00 C ATOM 1024 CG1 VAL A 64 -6.660 0.670 6.106 1.00 0.00 C ATOM 1025 CG2 VAL A 64 -5.304 2.501 7.149 1.00 0.00 C ATOM 0 H VAL A 64 -8.294 4.314 7.533 1.00 0.00 H new ATOM 0 HA VAL A 64 -6.994 3.245 5.129 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.210 1.818 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.089 -0.058 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.674 0.300 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -6.182 0.822 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.751 1.748 7.711 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.790 2.703 6.209 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.364 3.419 7.734 1.00 0.00 H new ATOM 1035 N VAL A 65 -9.172 2.251 4.487 1.00 0.00 N ATOM 1036 CA VAL A 65 -10.462 1.717 4.067 1.00 0.00 C ATOM 1037 C VAL A 65 -10.286 0.501 3.164 1.00 0.00 C ATOM 1038 O VAL A 65 -10.090 0.619 1.954 1.00 0.00 O ATOM 1039 CB VAL A 65 -11.294 2.779 3.323 1.00 0.00 C ATOM 1040 CG1 VAL A 65 -12.658 2.221 2.946 1.00 0.00 C ATOM 1041 CG2 VAL A 65 -11.438 4.033 4.172 1.00 0.00 C ATOM 0 H VAL A 65 -8.519 2.426 3.723 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.991 1.420 4.972 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.772 3.047 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.231 2.985 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.530 1.354 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.191 1.923 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.028 4.773 3.631 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.938 3.783 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.451 4.443 4.386 1.00 0.00 H new ATOM 1051 N PRO A 66 -10.357 -0.697 3.763 1.00 0.00 N ATOM 1052 CA PRO A 66 -10.209 -1.958 3.032 1.00 0.00 C ATOM 1053 C PRO A 66 -11.394 -2.238 2.113 1.00 0.00 C ATOM 1054 O PRO A 66 -12.477 -2.598 2.573 1.00 0.00 O ATOM 1055 CB PRO A 66 -10.136 -3.007 4.144 1.00 0.00 C ATOM 1056 CG PRO A 66 -10.852 -2.389 5.295 1.00 0.00 C ATOM 1057 CD PRO A 66 -10.589 -0.912 5.202 1.00 0.00 C ATOM 0 HA PRO A 66 -9.337 -1.949 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -10.608 -3.941 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.103 -3.241 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.921 -2.599 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.490 -2.791 6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.436 -0.329 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.724 -0.620 5.797 1.00 0.00 H new ATOM 1065 N ASP A 67 -11.180 -2.071 0.812 1.00 0.00 N ATOM 1066 CA ASP A 67 -12.230 -2.307 -0.172 1.00 0.00 C ATOM 1067 C ASP A 67 -12.128 -3.716 -0.747 1.00 0.00 C ATOM 1068 O ASP A 67 -12.395 -3.936 -1.929 1.00 0.00 O ATOM 1069 CB ASP A 67 -12.145 -1.276 -1.297 1.00 0.00 C ATOM 1070 CG ASP A 67 -12.972 -0.038 -1.012 1.00 0.00 C ATOM 1071 OD1 ASP A 67 -14.216 -0.150 -0.977 1.00 0.00 O ATOM 1072 OD2 ASP A 67 -12.376 1.043 -0.824 1.00 0.00 O ATOM 0 H ASP A 67 -10.289 -1.773 0.415 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.193 -2.207 0.329 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.104 -0.988 -1.444 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.485 -1.730 -2.228 1.00 0.00 H new ATOM 1077 N VAL A 68 -11.739 -4.668 0.096 1.00 0.00 N ATOM 1078 CA VAL A 68 -11.601 -6.056 -0.329 1.00 0.00 C ATOM 1079 C VAL A 68 -12.956 -6.657 -0.687 1.00 0.00 C ATOM 1080 O VAL A 68 -13.907 -6.577 0.089 1.00 0.00 O ATOM 1081 CB VAL A 68 -10.943 -6.915 0.767 1.00 0.00 C ATOM 1082 CG1 VAL A 68 -10.841 -8.365 0.318 1.00 0.00 C ATOM 1083 CG2 VAL A 68 -9.573 -6.361 1.126 1.00 0.00 C ATOM 0 H VAL A 68 -11.514 -4.503 1.077 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.962 -6.056 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.569 -6.879 1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.374 -8.957 1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.839 -8.754 0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.237 -8.424 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.122 -6.980 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.935 -6.366 0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.678 -5.340 1.492 1.00 0.00 H new ATOM 1093 N ASN A 69 -13.035 -7.262 -1.868 1.00 0.00 N ATOM 1094 CA ASN A 69 -14.274 -7.878 -2.330 1.00 0.00 C ATOM 1095 C ASN A 69 -14.019 -9.291 -2.845 1.00 0.00 C ATOM 1096 O ASN A 69 -13.792 -9.498 -4.037 1.00 0.00 O ATOM 1097 CB ASN A 69 -14.910 -7.028 -3.431 1.00 0.00 C ATOM 1098 CG ASN A 69 -16.252 -7.575 -3.880 1.00 0.00 C ATOM 1099 OD1 ASN A 69 -16.926 -8.286 -3.134 1.00 0.00 O ATOM 1100 ND2 ASN A 69 -16.646 -7.244 -5.104 1.00 0.00 N ATOM 0 H ASN A 69 -12.256 -7.339 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.960 -7.937 -1.485 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -15.039 -6.008 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.235 -6.981 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -17.540 -7.582 -5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.055 -6.652 -5.688 1.00 0.00 H new ATOM 1107 N VAL A 70 -14.059 -10.262 -1.938 1.00 0.00 N ATOM 1108 CA VAL A 70 -13.835 -11.656 -2.300 1.00 0.00 C ATOM 1109 C VAL A 70 -14.718 -12.069 -3.472 1.00 0.00 C ATOM 1110 O VAL A 70 -14.297 -12.832 -4.341 1.00 0.00 O ATOM 1111 CB VAL A 70 -14.108 -12.596 -1.110 1.00 0.00 C ATOM 1112 CG1 VAL A 70 -13.887 -14.046 -1.513 1.00 0.00 C ATOM 1113 CG2 VAL A 70 -13.229 -12.224 0.075 1.00 0.00 C ATOM 0 H VAL A 70 -14.245 -10.108 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.788 -11.743 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.150 -12.482 -0.811 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -14.085 -14.695 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.562 -14.304 -2.329 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.856 -14.180 -1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -13.435 -12.898 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -12.180 -12.308 -0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -13.441 -11.199 0.378 1.00 0.00 H new ATOM 1123 N SER A 71 -15.945 -11.558 -3.490 1.00 0.00 N ATOM 1124 CA SER A 71 -16.890 -11.876 -4.554 1.00 0.00 C ATOM 1125 C SER A 71 -16.169 -12.037 -5.889 1.00 0.00 C ATOM 1126 O SER A 71 -16.447 -12.965 -6.649 1.00 0.00 O ATOM 1127 CB SER A 71 -17.953 -10.782 -4.664 1.00 0.00 C ATOM 1128 OG SER A 71 -19.024 -11.193 -5.497 1.00 0.00 O ATOM 0 H SER A 71 -16.308 -10.922 -2.780 1.00 0.00 H new ATOM 0 HA SER A 71 -17.375 -12.820 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 71 -18.333 -10.539 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.504 -9.873 -5.065 1.00 0.00 H new ATOM 0 HG SER A 71 -19.691 -10.477 -5.550 1.00 0.00 H new ATOM 1134 N GLY A 72 -15.242 -11.126 -6.169 1.00 0.00 N ATOM 1135 CA GLY A 72 -14.496 -11.184 -7.412 1.00 0.00 C ATOM 1136 C GLY A 72 -12.996 -11.152 -7.190 1.00 0.00 C ATOM 1137 O GLY A 72 -12.276 -10.437 -7.886 1.00 0.00 O ATOM 0 H GLY A 72 -14.994 -10.349 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.761 -12.094 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -14.785 -10.345 -8.045 1.00 0.00 H new ATOM 1141 N GLN A 73 -12.526 -11.926 -6.218 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.103 -11.980 -5.905 1.00 0.00 C ATOM 1143 C GLN A 73 -10.459 -10.607 -6.063 1.00 0.00 C ATOM 1144 O GLN A 73 -9.442 -10.461 -6.742 1.00 0.00 O ATOM 1145 CB GLN A 73 -10.399 -12.994 -6.809 1.00 0.00 C ATOM 1146 CG GLN A 73 -10.765 -14.438 -6.504 1.00 0.00 C ATOM 1147 CD GLN A 73 -10.499 -14.815 -5.060 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -9.580 -14.291 -4.429 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -11.304 -15.727 -4.528 1.00 0.00 N ATOM 0 H GLN A 73 -13.110 -12.524 -5.633 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.996 -12.294 -4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.648 -12.776 -7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.321 -12.872 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.820 -14.597 -6.729 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.197 -15.099 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.053 -16.135 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.174 -16.020 -3.560 1.00 0.00 H new ATOM 1158 N LYS A 74 -11.057 -9.602 -5.433 1.00 0.00 N ATOM 1159 CA LYS A 74 -10.542 -8.240 -5.501 1.00 0.00 C ATOM 1160 C LYS A 74 -9.910 -7.829 -4.175 1.00 0.00 C ATOM 1161 O LYS A 74 -10.360 -8.245 -3.107 1.00 0.00 O ATOM 1162 CB LYS A 74 -11.664 -7.266 -5.867 1.00 0.00 C ATOM 1163 CG LYS A 74 -11.210 -5.819 -5.954 1.00 0.00 C ATOM 1164 CD LYS A 74 -12.391 -4.869 -6.053 1.00 0.00 C ATOM 1165 CE LYS A 74 -11.992 -3.547 -6.691 1.00 0.00 C ATOM 1166 NZ LYS A 74 -11.836 -3.669 -8.167 1.00 0.00 N ATOM 0 H LYS A 74 -11.900 -9.705 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.774 -8.208 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.092 -7.562 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.458 -7.345 -5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.614 -5.570 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.565 -5.691 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.184 -5.333 -6.640 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.796 -4.686 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.746 -2.793 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.055 -3.201 -6.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.698 -2.725 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.011 -4.265 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.690 -4.103 -8.572 1.00 0.00 H new ATOM 1180 N PHE A 75 -8.867 -7.010 -4.250 1.00 0.00 N ATOM 1181 CA PHE A 75 -8.174 -6.542 -3.055 1.00 0.00 C ATOM 1182 C PHE A 75 -7.508 -5.192 -3.305 1.00 0.00 C ATOM 1183 O PHE A 75 -6.480 -5.111 -3.978 1.00 0.00 O ATOM 1184 CB PHE A 75 -7.127 -7.566 -2.614 1.00 0.00 C ATOM 1185 CG PHE A 75 -7.620 -8.985 -2.656 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -7.573 -9.713 -3.833 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -8.129 -9.589 -1.518 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -8.027 -11.018 -3.875 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -8.584 -10.894 -1.553 1.00 0.00 C ATOM 1190 CZ PHE A 75 -8.532 -11.609 -2.733 1.00 0.00 C ATOM 0 H PHE A 75 -8.482 -6.656 -5.126 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.912 -6.421 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.250 -7.476 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.806 -7.331 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.177 -9.256 -4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.171 -9.034 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.987 -11.575 -4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.979 -11.353 -0.659 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.886 -12.629 -2.763 1.00 0.00 H new ATOM 1200 N CYS A 76 -8.102 -4.137 -2.759 1.00 0.00 N ATOM 1201 CA CYS A 76 -7.568 -2.789 -2.924 1.00 0.00 C ATOM 1202 C CYS A 76 -7.433 -2.090 -1.575 1.00 0.00 C ATOM 1203 O CYS A 76 -8.245 -2.297 -0.674 1.00 0.00 O ATOM 1204 CB CYS A 76 -8.469 -1.970 -3.849 1.00 0.00 C ATOM 1205 SG CYS A 76 -8.384 -2.461 -5.587 1.00 0.00 S ATOM 0 H CYS A 76 -8.953 -4.188 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.578 -2.869 -3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -9.500 -2.060 -3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.196 -0.918 -3.766 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.182 -1.712 -6.289 1.00 0.00 H new ATOM 1211 N ILE A 77 -6.401 -1.262 -1.445 1.00 0.00 N ATOM 1212 CA ILE A 77 -6.160 -0.533 -0.206 1.00 0.00 C ATOM 1213 C ILE A 77 -6.311 0.970 -0.415 1.00 0.00 C ATOM 1214 O ILE A 77 -5.365 1.651 -0.812 1.00 0.00 O ATOM 1215 CB ILE A 77 -4.755 -0.824 0.354 1.00 0.00 C ATOM 1216 CG1 ILE A 77 -4.553 -2.331 0.527 1.00 0.00 C ATOM 1217 CG2 ILE A 77 -4.552 -0.101 1.677 1.00 0.00 C ATOM 1218 CD1 ILE A 77 -3.104 -2.731 0.696 1.00 0.00 C ATOM 0 H ILE A 77 -5.720 -1.080 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.906 -0.874 0.512 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.014 -0.457 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.118 -2.668 1.396 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.965 -2.847 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.555 -0.317 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.658 0.973 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.298 -0.441 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.036 -3.813 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.537 -2.425 -0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.693 -2.244 1.580 1.00 0.00 H new ATOM 1230 N LYS A 78 -7.506 1.483 -0.143 1.00 0.00 N ATOM 1231 CA LYS A 78 -7.782 2.906 -0.298 1.00 0.00 C ATOM 1232 C LYS A 78 -7.063 3.719 0.774 1.00 0.00 C ATOM 1233 O LYS A 78 -7.506 3.780 1.922 1.00 0.00 O ATOM 1234 CB LYS A 78 -9.288 3.166 -0.226 1.00 0.00 C ATOM 1235 CG LYS A 78 -9.671 4.607 -0.513 1.00 0.00 C ATOM 1236 CD LYS A 78 -10.981 4.980 0.161 1.00 0.00 C ATOM 1237 CE LYS A 78 -11.691 6.101 -0.583 1.00 0.00 C ATOM 1238 NZ LYS A 78 -12.233 5.642 -1.891 1.00 0.00 N ATOM 0 H LYS A 78 -8.300 0.934 0.186 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.413 3.218 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.795 2.515 -0.939 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.648 2.894 0.766 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.880 5.271 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.760 4.753 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.629 4.105 0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.788 5.289 1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.504 6.487 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.997 6.925 -0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.938 6.301 -2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.869 4.691 -2.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -13.272 5.612 -1.845 1.00 0.00 H new ATOM 1252 N LEU A 79 -5.954 4.343 0.393 1.00 0.00 N ATOM 1253 CA LEU A 79 -5.175 5.154 1.322 1.00 0.00 C ATOM 1254 C LEU A 79 -5.549 6.628 1.204 1.00 0.00 C ATOM 1255 O LEU A 79 -5.553 7.193 0.109 1.00 0.00 O ATOM 1256 CB LEU A 79 -3.679 4.973 1.057 1.00 0.00 C ATOM 1257 CG LEU A 79 -2.749 5.255 2.238 1.00 0.00 C ATOM 1258 CD1 LEU A 79 -2.985 4.250 3.355 1.00 0.00 C ATOM 1259 CD2 LEU A 79 -1.295 5.226 1.791 1.00 0.00 C ATOM 0 H LEU A 79 -5.574 4.303 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.402 4.821 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.511 3.949 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.395 5.627 0.232 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.971 6.251 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.314 4.466 4.187 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.018 4.319 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.791 3.243 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.648 5.429 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.060 4.243 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.134 5.985 1.026 1.00 0.00 H new ATOM 1271 N LEU A 80 -5.860 7.247 2.337 1.00 0.00 N ATOM 1272 CA LEU A 80 -6.234 8.657 2.362 1.00 0.00 C ATOM 1273 C LEU A 80 -5.290 9.454 3.256 1.00 0.00 C ATOM 1274 O LEU A 80 -5.261 9.264 4.472 1.00 0.00 O ATOM 1275 CB LEU A 80 -7.674 8.815 2.851 1.00 0.00 C ATOM 1276 CG LEU A 80 -8.766 8.636 1.795 1.00 0.00 C ATOM 1277 CD1 LEU A 80 -8.548 9.597 0.636 1.00 0.00 C ATOM 1278 CD2 LEU A 80 -8.799 7.198 1.300 1.00 0.00 C ATOM 0 H LEU A 80 -5.861 6.795 3.251 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.158 9.046 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.847 8.093 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.780 9.807 3.290 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.729 8.863 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.334 9.456 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.576 10.623 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.578 9.402 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.582 7.089 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.835 6.943 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.003 6.530 2.137 1.00 0.00 H new ATOM 1290 N VAL A 81 -4.521 10.350 2.646 1.00 0.00 N ATOM 1291 CA VAL A 81 -3.579 11.180 3.388 1.00 0.00 C ATOM 1292 C VAL A 81 -3.781 12.658 3.072 1.00 0.00 C ATOM 1293 O VAL A 81 -3.597 13.107 1.940 1.00 0.00 O ATOM 1294 CB VAL A 81 -2.122 10.793 3.072 1.00 0.00 C ATOM 1295 CG1 VAL A 81 -1.166 11.483 4.033 1.00 0.00 C ATOM 1296 CG2 VAL A 81 -1.948 9.283 3.126 1.00 0.00 C ATOM 0 H VAL A 81 -4.532 10.520 1.640 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.772 11.009 4.447 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.887 11.127 2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.141 11.198 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.273 12.564 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.398 11.183 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.913 9.028 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.201 8.923 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.605 8.815 2.393 1.00 0.00 H new ATOM 1306 N PRO A 82 -4.168 13.434 4.095 1.00 0.00 N ATOM 1307 CA PRO A 82 -4.402 14.874 3.952 1.00 0.00 C ATOM 1308 C PRO A 82 -3.111 15.652 3.722 1.00 0.00 C ATOM 1309 O PRO A 82 -2.042 15.247 4.179 1.00 0.00 O ATOM 1310 CB PRO A 82 -5.032 15.266 5.291 1.00 0.00 C ATOM 1311 CG PRO A 82 -4.539 14.242 6.255 1.00 0.00 C ATOM 1312 CD PRO A 82 -4.405 12.966 5.471 1.00 0.00 C ATOM 0 HA PRO A 82 -5.027 15.101 3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.731 16.270 5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.120 15.263 5.232 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.582 14.539 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.236 14.119 7.084 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.579 12.355 5.836 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.306 12.356 5.538 1.00 0.00 H new ATOM 1320 N SER A 83 -3.217 16.770 3.012 1.00 0.00 N ATOM 1321 CA SER A 83 -2.057 17.603 2.719 1.00 0.00 C ATOM 1322 C SER A 83 -2.429 19.082 2.745 1.00 0.00 C ATOM 1323 O SER A 83 -3.583 19.462 2.542 1.00 0.00 O ATOM 1324 CB SER A 83 -1.471 17.236 1.354 1.00 0.00 C ATOM 1325 OG SER A 83 -0.583 16.137 1.458 1.00 0.00 O ATOM 0 H SER A 83 -4.095 17.120 2.629 1.00 0.00 H new ATOM 0 HA SER A 83 -1.307 17.422 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.277 16.992 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.944 18.095 0.938 1.00 0.00 H new ATOM 0 HG SER A 83 -0.771 15.641 2.282 1.00 0.00 H new ATOM 1331 N PRO A 84 -1.429 19.939 3.000 1.00 0.00 N ATOM 1332 CA PRO A 84 -1.626 21.390 3.058 1.00 0.00 C ATOM 1333 C PRO A 84 -1.922 21.991 1.688 1.00 0.00 C ATOM 1334 O PRO A 84 -2.259 23.169 1.577 1.00 0.00 O ATOM 1335 CB PRO A 84 -0.288 21.908 3.591 1.00 0.00 C ATOM 1336 CG PRO A 84 0.704 20.868 3.200 1.00 0.00 C ATOM 1337 CD PRO A 84 -0.029 19.556 3.250 1.00 0.00 C ATOM 0 HA PRO A 84 -2.481 21.661 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.038 22.876 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -0.317 22.040 4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 84 1.095 21.058 2.201 1.00 0.00 H new ATOM 0 HG3 PRO A 84 1.555 20.865 3.881 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.339 18.861 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.087 19.067 4.217 1.00 0.00 H new ATOM 1345 N GLU A 85 -1.793 21.173 0.648 1.00 0.00 N ATOM 1346 CA GLU A 85 -2.047 21.625 -0.715 1.00 0.00 C ATOM 1347 C GLU A 85 -3.436 21.198 -1.180 1.00 0.00 C ATOM 1348 O GLU A 85 -4.129 21.945 -1.868 1.00 0.00 O ATOM 1349 CB GLU A 85 -0.985 21.069 -1.666 1.00 0.00 C ATOM 1350 CG GLU A 85 0.420 21.567 -1.368 1.00 0.00 C ATOM 1351 CD GLU A 85 0.684 22.945 -1.941 1.00 0.00 C ATOM 1352 OE1 GLU A 85 -0.262 23.757 -1.996 1.00 0.00 O ATOM 1353 OE2 GLU A 85 1.840 23.212 -2.334 1.00 0.00 O ATOM 0 H GLU A 85 -1.514 20.195 0.723 1.00 0.00 H new ATOM 0 HA GLU A 85 -1.999 22.714 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.995 19.980 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.248 21.339 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.572 21.591 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.145 20.863 -1.776 1.00 0.00 H new ATOM 1360 N GLY A 86 -3.835 19.988 -0.800 1.00 0.00 N ATOM 1361 CA GLY A 86 -5.138 19.481 -1.187 1.00 0.00 C ATOM 1362 C GLY A 86 -5.443 18.132 -0.567 1.00 0.00 C ATOM 1363 O GLY A 86 -5.719 18.039 0.629 1.00 0.00 O ATOM 0 H GLY A 86 -3.279 19.350 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.905 20.196 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.184 19.397 -2.273 1.00 0.00 H new ATOM 1367 N MET A 87 -5.396 17.083 -1.382 1.00 0.00 N ATOM 1368 CA MET A 87 -5.671 15.732 -0.905 1.00 0.00 C ATOM 1369 C MET A 87 -4.903 14.700 -1.725 1.00 0.00 C ATOM 1370 O MET A 87 -4.805 14.813 -2.947 1.00 0.00 O ATOM 1371 CB MET A 87 -7.171 15.440 -0.971 1.00 0.00 C ATOM 1372 CG MET A 87 -7.555 14.097 -0.372 1.00 0.00 C ATOM 1373 SD MET A 87 -7.923 14.202 1.390 1.00 0.00 S ATOM 1374 CE MET A 87 -6.804 12.965 2.043 1.00 0.00 C ATOM 0 H MET A 87 -5.170 17.142 -2.375 1.00 0.00 H new ATOM 0 HA MET A 87 -5.341 15.665 0.132 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.710 16.230 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.493 15.470 -2.012 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.425 13.704 -0.898 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.742 13.388 -0.528 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.504 13.243 3.053 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.305 11.997 2.066 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.921 12.901 1.407 1.00 0.00 H new ATOM 1384 N SER A 88 -4.361 13.695 -1.044 1.00 0.00 N ATOM 1385 CA SER A 88 -3.598 12.645 -1.710 1.00 0.00 C ATOM 1386 C SER A 88 -4.337 11.312 -1.644 1.00 0.00 C ATOM 1387 O SER A 88 -4.322 10.633 -0.618 1.00 0.00 O ATOM 1388 CB SER A 88 -2.215 12.507 -1.070 1.00 0.00 C ATOM 1389 OG SER A 88 -1.558 11.337 -1.525 1.00 0.00 O ATOM 0 H SER A 88 -4.436 13.586 -0.033 1.00 0.00 H new ATOM 0 HA SER A 88 -3.480 12.924 -2.757 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.611 13.383 -1.308 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.314 12.474 0.015 1.00 0.00 H new ATOM 0 HG SER A 88 -0.620 11.544 -1.721 1.00 0.00 H new ATOM 1395 N GLU A 89 -4.984 10.946 -2.746 1.00 0.00 N ATOM 1396 CA GLU A 89 -5.730 9.695 -2.814 1.00 0.00 C ATOM 1397 C GLU A 89 -5.086 8.731 -3.806 1.00 0.00 C ATOM 1398 O GLU A 89 -5.021 9.008 -5.004 1.00 0.00 O ATOM 1399 CB GLU A 89 -7.182 9.962 -3.214 1.00 0.00 C ATOM 1400 CG GLU A 89 -7.980 8.699 -3.491 1.00 0.00 C ATOM 1401 CD GLU A 89 -8.662 8.157 -2.250 1.00 0.00 C ATOM 1402 OE1 GLU A 89 -9.780 8.618 -1.938 1.00 0.00 O ATOM 1403 OE2 GLU A 89 -8.078 7.271 -1.591 1.00 0.00 O ATOM 0 H GLU A 89 -5.007 11.498 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.712 9.237 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.672 10.524 -2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.195 10.592 -4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.732 8.908 -4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.317 7.936 -3.899 1.00 0.00 H new ATOM 1410 N ILE A 90 -4.611 7.598 -3.298 1.00 0.00 N ATOM 1411 CA ILE A 90 -3.974 6.593 -4.138 1.00 0.00 C ATOM 1412 C ILE A 90 -4.714 5.262 -4.061 1.00 0.00 C ATOM 1413 O ILE A 90 -5.036 4.781 -2.975 1.00 0.00 O ATOM 1414 CB ILE A 90 -2.503 6.373 -3.736 1.00 0.00 C ATOM 1415 CG1 ILE A 90 -1.646 7.558 -4.187 1.00 0.00 C ATOM 1416 CG2 ILE A 90 -1.979 5.076 -4.334 1.00 0.00 C ATOM 1417 CD1 ILE A 90 -1.544 8.657 -3.152 1.00 0.00 C ATOM 0 H ILE A 90 -4.656 7.354 -2.309 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.011 6.968 -5.161 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.445 6.299 -2.650 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.644 7.201 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.065 7.971 -5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.939 4.935 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.576 4.240 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.047 5.123 -5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.922 9.464 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.540 9.041 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.097 8.259 -2.241 1.00 0.00 H new ATOM 1429 N TYR A 91 -4.979 4.671 -5.221 1.00 0.00 N ATOM 1430 CA TYR A 91 -5.682 3.395 -5.286 1.00 0.00 C ATOM 1431 C TYR A 91 -4.718 2.258 -5.610 1.00 0.00 C ATOM 1432 O TYR A 91 -4.257 2.123 -6.744 1.00 0.00 O ATOM 1433 CB TYR A 91 -6.792 3.453 -6.337 1.00 0.00 C ATOM 1434 CG TYR A 91 -7.883 4.448 -6.011 1.00 0.00 C ATOM 1435 CD1 TYR A 91 -8.497 4.452 -4.765 1.00 0.00 C ATOM 1436 CD2 TYR A 91 -8.300 5.384 -6.949 1.00 0.00 C ATOM 1437 CE1 TYR A 91 -9.495 5.358 -4.463 1.00 0.00 C ATOM 1438 CE2 TYR A 91 -9.295 6.295 -6.656 1.00 0.00 C ATOM 1439 CZ TYR A 91 -9.890 6.278 -5.411 1.00 0.00 C ATOM 1440 OH TYR A 91 -10.883 7.184 -5.116 1.00 0.00 O ATOM 0 H TYR A 91 -4.718 5.055 -6.129 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.126 3.204 -4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.354 3.710 -7.302 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.235 2.462 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.189 3.734 -4.019 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -7.838 5.399 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.963 5.346 -3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -9.606 7.017 -7.397 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.040 7.761 -5.892 1.00 0.00 H new ATOM 1450 N LEU A 92 -4.419 1.441 -4.606 1.00 0.00 N ATOM 1451 CA LEU A 92 -3.510 0.313 -4.782 1.00 0.00 C ATOM 1452 C LEU A 92 -4.286 -0.988 -4.959 1.00 0.00 C ATOM 1453 O LEU A 92 -5.174 -1.305 -4.167 1.00 0.00 O ATOM 1454 CB LEU A 92 -2.568 0.200 -3.583 1.00 0.00 C ATOM 1455 CG LEU A 92 -1.894 1.497 -3.133 1.00 0.00 C ATOM 1456 CD1 LEU A 92 -1.347 1.354 -1.722 1.00 0.00 C ATOM 1457 CD2 LEU A 92 -0.785 1.886 -4.100 1.00 0.00 C ATOM 0 H LEU A 92 -4.792 1.538 -3.662 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.921 0.489 -5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.131 -0.204 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.791 -0.525 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.642 2.290 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.871 2.287 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.163 1.124 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.614 0.548 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.317 2.811 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.038 1.093 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.205 2.033 -5.095 1.00 0.00 H new ATOM 1469 N ARG A 93 -3.942 -1.739 -6.000 1.00 0.00 N ATOM 1470 CA ARG A 93 -4.605 -3.007 -6.280 1.00 0.00 C ATOM 1471 C ARG A 93 -3.587 -4.136 -6.409 1.00 0.00 C ATOM 1472 O ARG A 93 -2.872 -4.230 -7.407 1.00 0.00 O ATOM 1473 CB ARG A 93 -5.432 -2.903 -7.562 1.00 0.00 C ATOM 1474 CG ARG A 93 -6.024 -4.227 -8.015 1.00 0.00 C ATOM 1475 CD ARG A 93 -7.098 -4.025 -9.072 1.00 0.00 C ATOM 1476 NE ARG A 93 -7.607 -5.294 -9.585 1.00 0.00 N ATOM 1477 CZ ARG A 93 -8.432 -5.390 -10.622 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -8.838 -4.298 -11.254 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -8.851 -6.581 -11.030 1.00 0.00 N ATOM 0 H ARG A 93 -3.208 -1.491 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.269 -3.233 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.240 -2.188 -7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.803 -2.505 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.234 -4.862 -8.415 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.449 -4.749 -7.158 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.921 -3.450 -8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.690 -3.439 -9.895 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.313 -6.154 -9.122 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.517 -3.381 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.471 -4.375 -12.050 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.540 -7.424 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.484 -6.654 -11.826 1.00 0.00 H new ATOM 1493 N CYS A 94 -3.527 -4.990 -5.393 1.00 0.00 N ATOM 1494 CA CYS A 94 -2.595 -6.113 -5.392 1.00 0.00 C ATOM 1495 C CYS A 94 -3.075 -7.218 -6.327 1.00 0.00 C ATOM 1496 O CYS A 94 -4.274 -7.370 -6.560 1.00 0.00 O ATOM 1497 CB CYS A 94 -2.429 -6.663 -3.975 1.00 0.00 C ATOM 1498 SG CYS A 94 -1.492 -5.582 -2.869 1.00 0.00 S ATOM 0 H CYS A 94 -4.112 -4.927 -4.560 1.00 0.00 H new ATOM 0 HA CYS A 94 -1.630 -5.753 -5.749 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -3.416 -6.836 -3.546 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.930 -7.631 -4.028 1.00 0.00 H new ATOM 0 HG CYS A 94 -2.314 -4.915 -2.115 1.00 0.00 H new ATOM 1504 N GLN A 95 -2.130 -7.987 -6.860 1.00 0.00 N ATOM 1505 CA GLN A 95 -2.457 -9.077 -7.772 1.00 0.00 C ATOM 1506 C GLN A 95 -3.308 -10.133 -7.074 1.00 0.00 C ATOM 1507 O GLN A 95 -4.238 -10.683 -7.663 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.179 -9.714 -8.318 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.238 -10.216 -7.234 1.00 0.00 C ATOM 1510 CD GLN A 95 0.827 -11.151 -7.774 1.00 0.00 C ATOM 1511 OE1 GLN A 95 1.049 -11.226 -8.982 1.00 0.00 O ATOM 1512 NE2 GLN A 95 1.492 -11.870 -6.877 1.00 0.00 N ATOM 0 H GLN A 95 -1.133 -7.875 -6.676 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.031 -8.664 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.447 -10.546 -8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.654 -8.984 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.242 -9.364 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.815 -10.733 -6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.275 -11.776 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.220 -12.517 -7.180 1.00 0.00 H new ATOM 1521 N ASP A 96 -2.982 -10.412 -5.816 1.00 0.00 N ATOM 1522 CA ASP A 96 -3.717 -11.402 -5.038 1.00 0.00 C ATOM 1523 C ASP A 96 -3.847 -10.962 -3.583 1.00 0.00 C ATOM 1524 O ASP A 96 -3.385 -9.885 -3.207 1.00 0.00 O ATOM 1525 CB ASP A 96 -3.018 -12.761 -5.111 1.00 0.00 C ATOM 1526 CG ASP A 96 -1.561 -12.685 -4.700 1.00 0.00 C ATOM 1527 OD1 ASP A 96 -1.205 -11.756 -3.945 1.00 0.00 O ATOM 1528 OD2 ASP A 96 -0.777 -13.556 -5.132 1.00 0.00 O ATOM 0 H ASP A 96 -2.214 -9.966 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.717 -11.492 -5.463 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -3.538 -13.469 -4.466 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.086 -13.147 -6.128 1.00 0.00 H new ATOM 1533 N GLU A 97 -4.481 -11.801 -2.770 1.00 0.00 N ATOM 1534 CA GLU A 97 -4.674 -11.496 -1.358 1.00 0.00 C ATOM 1535 C GLU A 97 -3.353 -11.580 -0.598 1.00 0.00 C ATOM 1536 O GLU A 97 -3.168 -10.914 0.420 1.00 0.00 O ATOM 1537 CB GLU A 97 -5.692 -12.457 -0.740 1.00 0.00 C ATOM 1538 CG GLU A 97 -5.137 -13.848 -0.481 1.00 0.00 C ATOM 1539 CD GLU A 97 -5.198 -14.738 -1.707 1.00 0.00 C ATOM 1540 OE1 GLU A 97 -6.148 -14.588 -2.503 1.00 0.00 O ATOM 1541 OE2 GLU A 97 -4.295 -15.586 -1.869 1.00 0.00 O ATOM 0 H GLU A 97 -4.869 -12.697 -3.065 1.00 0.00 H new ATOM 0 HA GLU A 97 -5.054 -10.477 -1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.051 -12.037 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -6.553 -12.536 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.103 -13.766 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.698 -14.314 0.330 1.00 0.00 H new ATOM 1548 N GLN A 98 -2.439 -12.404 -1.100 1.00 0.00 N ATOM 1549 CA GLN A 98 -1.137 -12.576 -0.469 1.00 0.00 C ATOM 1550 C GLN A 98 -0.452 -11.230 -0.257 1.00 0.00 C ATOM 1551 O GLN A 98 -0.159 -10.844 0.874 1.00 0.00 O ATOM 1552 CB GLN A 98 -0.249 -13.485 -1.321 1.00 0.00 C ATOM 1553 CG GLN A 98 -0.545 -14.965 -1.143 1.00 0.00 C ATOM 1554 CD GLN A 98 0.267 -15.593 -0.028 1.00 0.00 C ATOM 1555 OE1 GLN A 98 0.913 -14.895 0.754 1.00 0.00 O ATOM 1556 NE2 GLN A 98 0.238 -16.918 0.052 1.00 0.00 N ATOM 0 H GLN A 98 -2.577 -12.963 -1.942 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.293 -13.041 0.504 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.375 -13.222 -2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.795 -13.299 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.606 -15.096 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.338 -15.488 -2.077 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.311 -17.457 -0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.765 -17.396 0.783 1.00 0.00 H new ATOM 1565 N GLN A 99 -0.201 -10.521 -1.353 1.00 0.00 N ATOM 1566 CA GLN A 99 0.451 -9.218 -1.286 1.00 0.00 C ATOM 1567 C GLN A 99 -0.406 -8.220 -0.513 1.00 0.00 C ATOM 1568 O GLN A 99 0.110 -7.410 0.258 1.00 0.00 O ATOM 1569 CB GLN A 99 0.725 -8.688 -2.695 1.00 0.00 C ATOM 1570 CG GLN A 99 1.522 -7.394 -2.714 1.00 0.00 C ATOM 1571 CD GLN A 99 1.827 -6.918 -4.120 1.00 0.00 C ATOM 1572 OE1 GLN A 99 0.922 -6.718 -4.931 1.00 0.00 O ATOM 1573 NE2 GLN A 99 3.108 -6.732 -4.418 1.00 0.00 N ATOM 0 H GLN A 99 -0.439 -10.826 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 99 1.398 -9.340 -0.761 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.266 -9.447 -3.261 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -0.225 -8.527 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 99 0.965 -6.621 -2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.457 -7.539 -2.173 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.826 -6.910 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.374 -6.411 -5.349 1.00 0.00 H new ATOM 1582 N TYR A 100 -1.716 -8.284 -0.724 1.00 0.00 N ATOM 1583 CA TYR A 100 -2.643 -7.385 -0.049 1.00 0.00 C ATOM 1584 C TYR A 100 -2.393 -7.373 1.456 1.00 0.00 C ATOM 1585 O TYR A 100 -2.235 -6.314 2.062 1.00 0.00 O ATOM 1586 CB TYR A 100 -4.088 -7.800 -0.334 1.00 0.00 C ATOM 1587 CG TYR A 100 -5.065 -7.366 0.736 1.00 0.00 C ATOM 1588 CD1 TYR A 100 -5.361 -6.022 0.930 1.00 0.00 C ATOM 1589 CD2 TYR A 100 -5.693 -8.300 1.551 1.00 0.00 C ATOM 1590 CE1 TYR A 100 -6.252 -5.622 1.907 1.00 0.00 C ATOM 1591 CE2 TYR A 100 -6.587 -7.908 2.528 1.00 0.00 C ATOM 1592 CZ TYR A 100 -6.863 -6.568 2.703 1.00 0.00 C ATOM 1593 OH TYR A 100 -7.752 -6.173 3.676 1.00 0.00 O ATOM 0 H TYR A 100 -2.159 -8.949 -1.357 1.00 0.00 H new ATOM 0 HA TYR A 100 -2.478 -6.379 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.397 -7.377 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -4.132 -8.884 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.887 -5.278 0.307 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -5.478 -9.350 1.418 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -6.469 -4.573 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.068 -8.647 3.152 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.094 -6.962 4.147 1.00 0.00 H new ATOM 1603 N ALA A 101 -2.358 -8.560 2.053 1.00 0.00 N ATOM 1604 CA ALA A 101 -2.125 -8.688 3.486 1.00 0.00 C ATOM 1605 C ALA A 101 -0.798 -8.050 3.885 1.00 0.00 C ATOM 1606 O ALA A 101 -0.768 -7.092 4.658 1.00 0.00 O ATOM 1607 CB ALA A 101 -2.152 -10.153 3.896 1.00 0.00 C ATOM 0 H ALA A 101 -2.488 -9.447 1.566 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.924 -8.161 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.977 -10.234 4.969 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.125 -10.581 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.374 -10.695 3.359 1.00 0.00 H new ATOM 1613 N ARG A 102 0.295 -8.588 3.355 1.00 0.00 N ATOM 1614 CA ARG A 102 1.624 -8.071 3.658 1.00 0.00 C ATOM 1615 C ARG A 102 1.617 -6.546 3.706 1.00 0.00 C ATOM 1616 O ARG A 102 1.915 -5.947 4.739 1.00 0.00 O ATOM 1617 CB ARG A 102 2.633 -8.554 2.614 1.00 0.00 C ATOM 1618 CG ARG A 102 2.943 -10.039 2.708 1.00 0.00 C ATOM 1619 CD ARG A 102 3.576 -10.558 1.427 1.00 0.00 C ATOM 1620 NE ARG A 102 4.469 -11.687 1.676 1.00 0.00 N ATOM 1621 CZ ARG A 102 4.775 -12.599 0.759 1.00 0.00 C ATOM 1622 NH1 ARG A 102 4.261 -12.516 -0.460 1.00 0.00 N ATOM 1623 NH2 ARG A 102 5.595 -13.597 1.062 1.00 0.00 N ATOM 0 H ARG A 102 0.287 -9.381 2.714 1.00 0.00 H new ATOM 0 HA ARG A 102 1.917 -8.447 4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 102 2.246 -8.334 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.559 -7.990 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.616 -10.219 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.025 -10.591 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.793 -10.862 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 102 4.133 -9.754 0.947 1.00 0.00 H new ATOM 0 HE ARG A 102 4.880 -11.780 2.605 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.629 -11.751 -0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.497 -13.217 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.991 -13.665 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.829 -14.296 0.357 1.00 0.00 H new ATOM 1637 N TRP A 103 1.276 -5.926 2.583 1.00 0.00 N ATOM 1638 CA TRP A 103 1.231 -4.470 2.497 1.00 0.00 C ATOM 1639 C TRP A 103 0.208 -3.899 3.472 1.00 0.00 C ATOM 1640 O TRP A 103 0.557 -3.157 4.389 1.00 0.00 O ATOM 1641 CB TRP A 103 0.895 -4.033 1.070 1.00 0.00 C ATOM 1642 CG TRP A 103 2.089 -3.985 0.166 1.00 0.00 C ATOM 1643 CD1 TRP A 103 2.628 -5.025 -0.536 1.00 0.00 C ATOM 1644 CD2 TRP A 103 2.894 -2.839 -0.130 1.00 0.00 C ATOM 1645 NE1 TRP A 103 3.719 -4.594 -1.252 1.00 0.00 N ATOM 1646 CE2 TRP A 103 3.902 -3.257 -1.021 1.00 0.00 C ATOM 1647 CE3 TRP A 103 2.859 -1.500 0.267 1.00 0.00 C ATOM 1648 CZ2 TRP A 103 4.866 -2.383 -1.517 1.00 0.00 C ATOM 1649 CZ3 TRP A 103 3.817 -0.634 -0.226 1.00 0.00 C ATOM 1650 CH2 TRP A 103 4.809 -1.077 -1.110 1.00 0.00 C ATOM 0 H TRP A 103 1.027 -6.408 1.719 1.00 0.00 H new ATOM 0 HA TRP A 103 2.215 -4.084 2.765 1.00 0.00 H new ATOM 0 HB2 TRP A 103 0.159 -4.719 0.651 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.431 -3.047 1.100 1.00 0.00 H new ATOM 0 HD1 TRP A 103 2.252 -6.037 -0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.298 -5.176 -1.857 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.097 -1.148 0.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 5.632 -2.723 -2.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 3.800 0.403 0.076 1.00 0.00 H new ATOM 0 HH2 TRP A 103 5.543 -0.375 -1.478 1.00 0.00 H new ATOM 1661 N MET A 104 -1.058 -4.250 3.267 1.00 0.00 N ATOM 1662 CA MET A 104 -2.132 -3.772 4.130 1.00 0.00 C ATOM 1663 C MET A 104 -1.694 -3.767 5.591 1.00 0.00 C ATOM 1664 O MET A 104 -1.539 -2.708 6.199 1.00 0.00 O ATOM 1665 CB MET A 104 -3.377 -4.645 3.962 1.00 0.00 C ATOM 1666 CG MET A 104 -4.478 -4.333 4.962 1.00 0.00 C ATOM 1667 SD MET A 104 -4.844 -2.570 5.065 1.00 0.00 S ATOM 1668 CE MET A 104 -6.339 -2.477 4.083 1.00 0.00 C ATOM 0 H MET A 104 -1.365 -4.863 2.512 1.00 0.00 H new ATOM 0 HA MET A 104 -2.372 -2.750 3.837 1.00 0.00 H new ATOM 0 HB2 MET A 104 -3.767 -4.516 2.952 1.00 0.00 H new ATOM 0 HB3 MET A 104 -3.092 -5.692 4.063 1.00 0.00 H new ATOM 0 HG2 MET A 104 -5.383 -4.872 4.680 1.00 0.00 H new ATOM 0 HG3 MET A 104 -4.183 -4.697 5.946 1.00 0.00 H new ATOM 0 HE1 MET A 104 -6.941 -1.631 4.416 1.00 0.00 H new ATOM 0 HE2 MET A 104 -6.077 -2.345 3.033 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.910 -3.398 4.202 1.00 0.00 H new ATOM 1678 N ALA A 105 -1.496 -4.957 6.149 1.00 0.00 N ATOM 1679 CA ALA A 105 -1.074 -5.089 7.538 1.00 0.00 C ATOM 1680 C ALA A 105 -0.063 -4.010 7.910 1.00 0.00 C ATOM 1681 O ALA A 105 -0.139 -3.418 8.986 1.00 0.00 O ATOM 1682 CB ALA A 105 -0.487 -6.471 7.782 1.00 0.00 C ATOM 0 H ALA A 105 -1.621 -5.843 5.660 1.00 0.00 H new ATOM 0 HA ALA A 105 -1.952 -4.962 8.172 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.176 -6.556 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.239 -7.229 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.376 -6.620 7.133 1.00 0.00 H new ATOM 1688 N GLY A 106 0.885 -3.758 7.011 1.00 0.00 N ATOM 1689 CA GLY A 106 1.898 -2.750 7.264 1.00 0.00 C ATOM 1690 C GLY A 106 1.307 -1.365 7.436 1.00 0.00 C ATOM 1691 O GLY A 106 1.605 -0.673 8.411 1.00 0.00 O ATOM 0 H GLY A 106 0.969 -4.234 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.456 -3.017 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 106 2.609 -2.738 6.438 1.00 0.00 H new ATOM 1695 N CYS A 107 0.470 -0.959 6.489 1.00 0.00 N ATOM 1696 CA CYS A 107 -0.162 0.355 6.539 1.00 0.00 C ATOM 1697 C CYS A 107 -0.943 0.534 7.837 1.00 0.00 C ATOM 1698 O CYS A 107 -0.809 1.550 8.518 1.00 0.00 O ATOM 1699 CB CYS A 107 -1.093 0.542 5.339 1.00 0.00 C ATOM 1700 SG CYS A 107 -0.232 0.774 3.766 1.00 0.00 S ATOM 0 H CYS A 107 0.213 -1.520 5.677 1.00 0.00 H new ATOM 0 HA CYS A 107 0.623 1.110 6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.745 -0.328 5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -1.734 1.405 5.521 1.00 0.00 H new ATOM 0 HG CYS A 107 -1.103 0.921 2.812 1.00 0.00 H new ATOM 1706 N ARG A 108 -1.759 -0.460 8.171 1.00 0.00 N ATOM 1707 CA ARG A 108 -2.564 -0.411 9.386 1.00 0.00 C ATOM 1708 C ARG A 108 -1.683 -0.201 10.614 1.00 0.00 C ATOM 1709 O ARG A 108 -1.917 0.707 11.412 1.00 0.00 O ATOM 1710 CB ARG A 108 -3.373 -1.700 9.540 1.00 0.00 C ATOM 1711 CG ARG A 108 -4.605 -1.756 8.651 1.00 0.00 C ATOM 1712 CD ARG A 108 -5.060 -3.188 8.419 1.00 0.00 C ATOM 1713 NE ARG A 108 -5.400 -3.864 9.668 1.00 0.00 N ATOM 1714 CZ ARG A 108 -6.077 -5.005 9.725 1.00 0.00 C ATOM 1715 NH1 ARG A 108 -6.483 -5.596 8.610 1.00 0.00 N ATOM 1716 NH2 ARG A 108 -6.349 -5.558 10.900 1.00 0.00 N ATOM 0 H ARG A 108 -1.880 -1.308 7.618 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.250 0.432 9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -2.731 -2.551 9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -3.681 -1.803 10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.413 -1.186 9.111 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.386 -1.283 7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -5.927 -3.190 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.270 -3.741 7.911 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.101 -3.436 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.276 -5.174 7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.003 -6.472 8.657 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.038 -5.107 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.869 -6.434 10.943 1.00 0.00 H new ATOM 1730 N LEU A 109 -0.669 -1.047 10.759 1.00 0.00 N ATOM 1731 CA LEU A 109 0.248 -0.956 11.890 1.00 0.00 C ATOM 1732 C LEU A 109 0.797 0.460 12.033 1.00 0.00 C ATOM 1733 O LEU A 109 0.884 0.995 13.138 1.00 0.00 O ATOM 1734 CB LEU A 109 1.400 -1.947 11.720 1.00 0.00 C ATOM 1735 CG LEU A 109 1.011 -3.424 11.657 1.00 0.00 C ATOM 1736 CD1 LEU A 109 2.001 -4.201 10.803 1.00 0.00 C ATOM 1737 CD2 LEU A 109 0.932 -4.015 13.057 1.00 0.00 C ATOM 0 H LEU A 109 -0.461 -1.804 10.108 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.306 -1.205 12.795 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.938 -1.694 10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.096 -1.810 12.548 1.00 0.00 H new ATOM 0 HG LEU A 109 0.026 -3.501 11.196 1.00 0.00 H new ATOM 0 HD11 LEU A 109 1.708 -5.250 10.770 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.007 -3.794 9.792 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.998 -4.116 11.234 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.654 -5.067 12.993 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.903 -3.925 13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.183 -3.477 13.638 1.00 0.00 H new ATOM 1749 N ALA A 110 1.165 1.063 10.907 1.00 0.00 N ATOM 1750 CA ALA A 110 1.701 2.418 10.906 1.00 0.00 C ATOM 1751 C ALA A 110 0.618 3.438 11.241 1.00 0.00 C ATOM 1752 O ALA A 110 0.844 4.366 12.017 1.00 0.00 O ATOM 1753 CB ALA A 110 2.329 2.736 9.557 1.00 0.00 C ATOM 0 H ALA A 110 1.101 0.634 9.984 1.00 0.00 H new ATOM 0 HA ALA A 110 2.470 2.478 11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.725 3.751 9.570 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.138 2.033 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.574 2.652 8.775 1.00 0.00 H new ATOM 1759 N SER A 111 -0.559 3.259 10.650 1.00 0.00 N ATOM 1760 CA SER A 111 -1.677 4.167 10.882 1.00 0.00 C ATOM 1761 C SER A 111 -1.722 4.611 12.341 1.00 0.00 C ATOM 1762 O SER A 111 -1.986 5.776 12.640 1.00 0.00 O ATOM 1763 CB SER A 111 -2.997 3.493 10.502 1.00 0.00 C ATOM 1764 OG SER A 111 -4.101 4.328 10.803 1.00 0.00 O ATOM 0 H SER A 111 -0.763 2.494 10.007 1.00 0.00 H new ATOM 0 HA SER A 111 -1.533 5.048 10.256 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.995 3.257 9.438 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.094 2.549 11.038 1.00 0.00 H new ATOM 0 HG SER A 111 -4.932 3.875 10.549 1.00 0.00 H new ATOM 1770 N LYS A 112 -1.460 3.675 13.246 1.00 0.00 N ATOM 1771 CA LYS A 112 -1.469 3.967 14.675 1.00 0.00 C ATOM 1772 C LYS A 112 -0.051 4.181 15.194 1.00 0.00 C ATOM 1773 O LYS A 112 0.176 4.993 16.091 1.00 0.00 O ATOM 1774 CB LYS A 112 -2.139 2.827 15.445 1.00 0.00 C ATOM 1775 CG LYS A 112 -3.595 2.612 15.069 1.00 0.00 C ATOM 1776 CD LYS A 112 -4.479 3.727 15.601 1.00 0.00 C ATOM 1777 CE LYS A 112 -5.946 3.325 15.599 1.00 0.00 C ATOM 1778 NZ LYS A 112 -6.743 4.127 16.568 1.00 0.00 N ATOM 0 H LYS A 112 -1.238 2.706 13.015 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.037 4.884 14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.586 1.905 15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -2.075 3.035 16.513 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.688 2.559 13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.936 1.656 15.465 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.172 3.983 16.615 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.345 4.621 14.992 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.356 3.454 14.597 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.033 2.267 15.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.737 3.822 16.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.368 3.985 17.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.682 5.135 16.318 1.00 0.00 H new ATOM 1792 N GLY A 113 0.901 3.449 14.624 1.00 0.00 N ATOM 1793 CA GLY A 113 2.285 3.575 15.042 1.00 0.00 C ATOM 1794 C GLY A 113 3.067 2.290 14.854 1.00 0.00 C ATOM 1795 O GLY A 113 4.243 2.319 14.489 1.00 0.00 O ATOM 0 H GLY A 113 0.738 2.771 13.880 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.762 4.373 14.473 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.319 3.867 16.092 1.00 0.00 H new ATOM 1799 N ARG A 114 2.415 1.160 15.104 1.00 0.00 N ATOM 1800 CA ARG A 114 3.058 -0.141 14.962 1.00 0.00 C ATOM 1801 C ARG A 114 3.849 -0.217 13.659 1.00 0.00 C ATOM 1802 O ARG A 114 3.644 0.585 12.748 1.00 0.00 O ATOM 1803 CB ARG A 114 2.013 -1.257 15.003 1.00 0.00 C ATOM 1804 CG ARG A 114 1.390 -1.459 16.375 1.00 0.00 C ATOM 1805 CD ARG A 114 0.293 -2.511 16.339 1.00 0.00 C ATOM 1806 NE ARG A 114 -0.558 -2.455 17.525 1.00 0.00 N ATOM 1807 CZ ARG A 114 -1.806 -2.908 17.556 1.00 0.00 C ATOM 1808 NH1 ARG A 114 -2.346 -3.449 16.472 1.00 0.00 N ATOM 1809 NH2 ARG A 114 -2.517 -2.822 18.673 1.00 0.00 N ATOM 0 H ARG A 114 1.442 1.119 15.406 1.00 0.00 H new ATOM 0 HA ARG A 114 3.750 -0.270 15.795 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.224 -1.031 14.285 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.477 -2.190 14.683 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.161 -1.759 17.085 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.979 -0.515 16.732 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -0.318 -2.368 15.448 1.00 0.00 H new ATOM 0 HD3 ARG A 114 0.742 -3.501 16.262 1.00 0.00 H new ATOM 0 HE ARG A 114 -0.173 -2.046 18.376 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -1.802 -3.518 15.612 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.305 -3.796 16.499 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.105 -2.408 19.509 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -3.475 -3.170 18.696 1.00 0.00 H new ATOM 1823 N THR A 115 4.754 -1.188 13.579 1.00 0.00 N ATOM 1824 CA THR A 115 5.577 -1.368 12.390 1.00 0.00 C ATOM 1825 C THR A 115 5.851 -2.845 12.129 1.00 0.00 C ATOM 1826 O THR A 115 5.716 -3.678 13.025 1.00 0.00 O ATOM 1827 CB THR A 115 6.919 -0.624 12.517 1.00 0.00 C ATOM 1828 OG1 THR A 115 7.666 -1.145 13.622 1.00 0.00 O ATOM 1829 CG2 THR A 115 6.695 0.869 12.709 1.00 0.00 C ATOM 0 H THR A 115 4.935 -1.861 14.324 1.00 0.00 H new ATOM 0 HA THR A 115 5.017 -0.951 11.553 1.00 0.00 H new ATOM 0 HB THR A 115 7.481 -0.775 11.595 1.00 0.00 H new ATOM 0 HG1 THR A 115 8.519 -0.668 13.695 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.657 1.373 12.796 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.152 1.269 11.852 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.114 1.036 13.616 1.00 0.00 H new ATOM 1837 N MET A 116 6.236 -3.162 10.898 1.00 0.00 N ATOM 1838 CA MET A 116 6.530 -4.540 10.521 1.00 0.00 C ATOM 1839 C MET A 116 7.465 -5.193 11.534 1.00 0.00 C ATOM 1840 O MET A 116 7.328 -6.375 11.847 1.00 0.00 O ATOM 1841 CB MET A 116 7.158 -4.587 9.126 1.00 0.00 C ATOM 1842 CG MET A 116 6.138 -4.683 8.004 1.00 0.00 C ATOM 1843 SD MET A 116 6.847 -5.321 6.474 1.00 0.00 S ATOM 1844 CE MET A 116 8.108 -4.091 6.146 1.00 0.00 C ATOM 0 H MET A 116 6.352 -2.484 10.145 1.00 0.00 H new ATOM 0 HA MET A 116 5.592 -5.095 10.508 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.765 -3.693 8.979 1.00 0.00 H new ATOM 0 HB3 MET A 116 7.831 -5.442 9.068 1.00 0.00 H new ATOM 0 HG2 MET A 116 5.318 -5.330 8.318 1.00 0.00 H new ATOM 0 HG3 MET A 116 5.713 -3.696 7.819 1.00 0.00 H new ATOM 0 HE1 MET A 116 8.031 -3.758 5.111 1.00 0.00 H new ATOM 0 HE2 MET A 116 7.968 -3.240 6.812 1.00 0.00 H new ATOM 0 HE3 MET A 116 9.093 -4.526 6.315 1.00 0.00 H new ATOM 1854 N ALA A 117 8.415 -4.415 12.043 1.00 0.00 N ATOM 1855 CA ALA A 117 9.371 -4.918 13.022 1.00 0.00 C ATOM 1856 C ALA A 117 8.667 -5.699 14.126 1.00 0.00 C ATOM 1857 O ALA A 117 9.164 -6.727 14.586 1.00 0.00 O ATOM 1858 CB ALA A 117 10.173 -3.769 13.615 1.00 0.00 C ATOM 0 H ALA A 117 8.543 -3.434 11.794 1.00 0.00 H new ATOM 0 HA ALA A 117 10.053 -5.597 12.511 1.00 0.00 H new ATOM 0 HB1 ALA A 117 10.883 -4.159 14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 117 10.714 -3.255 12.821 1.00 0.00 H new ATOM 0 HB3 ALA A 117 9.497 -3.068 14.105 1.00 0.00 H new ATOM 1864 N ASP A 118 7.508 -5.205 14.547 1.00 0.00 N ATOM 1865 CA ASP A 118 6.735 -5.857 15.597 1.00 0.00 C ATOM 1866 C ASP A 118 6.177 -7.191 15.113 1.00 0.00 C ATOM 1867 O ASP A 118 5.988 -7.398 13.914 1.00 0.00 O ATOM 1868 CB ASP A 118 5.593 -4.950 16.058 1.00 0.00 C ATOM 1869 CG ASP A 118 4.897 -5.478 17.297 1.00 0.00 C ATOM 1870 OD1 ASP A 118 5.601 -5.861 18.255 1.00 0.00 O ATOM 1871 OD2 ASP A 118 3.649 -5.507 17.310 1.00 0.00 O ATOM 0 H ASP A 118 7.083 -4.355 14.177 1.00 0.00 H new ATOM 0 HA ASP A 118 7.401 -6.046 16.439 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.984 -3.953 16.262 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.866 -4.848 15.252 1.00 0.00 H new ATOM 1876 N SER A 119 5.916 -8.094 16.052 1.00 0.00 N ATOM 1877 CA SER A 119 5.384 -9.411 15.720 1.00 0.00 C ATOM 1878 C SER A 119 3.941 -9.308 15.236 1.00 0.00 C ATOM 1879 O SER A 119 3.528 -10.025 14.324 1.00 0.00 O ATOM 1880 CB SER A 119 5.461 -10.337 16.936 1.00 0.00 C ATOM 1881 OG SER A 119 4.706 -9.820 18.019 1.00 0.00 O ATOM 0 H SER A 119 6.064 -7.938 17.049 1.00 0.00 H new ATOM 0 HA SER A 119 5.990 -9.828 14.916 1.00 0.00 H new ATOM 0 HB2 SER A 119 5.089 -11.326 16.668 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.501 -10.459 17.239 1.00 0.00 H new ATOM 0 HG SER A 119 4.770 -10.430 18.783 1.00 0.00 H new ATOM 1887 N SER A 120 3.179 -8.411 15.853 1.00 0.00 N ATOM 1888 CA SER A 120 1.781 -8.215 15.488 1.00 0.00 C ATOM 1889 C SER A 120 1.621 -8.134 13.973 1.00 0.00 C ATOM 1890 O SER A 120 0.548 -8.408 13.435 1.00 0.00 O ATOM 1891 CB SER A 120 1.235 -6.943 16.139 1.00 0.00 C ATOM 1892 OG SER A 120 1.279 -7.034 17.552 1.00 0.00 O ATOM 0 H SER A 120 3.506 -7.808 16.608 1.00 0.00 H new ATOM 0 HA SER A 120 1.213 -9.072 15.850 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.817 -6.083 15.809 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.208 -6.776 15.814 1.00 0.00 H new ATOM 0 HG SER A 120 2.070 -6.561 17.886 1.00 0.00 H new ATOM 1898 N TYR A 121 2.696 -7.755 13.291 1.00 0.00 N ATOM 1899 CA TYR A 121 2.676 -7.635 11.838 1.00 0.00 C ATOM 1900 C TYR A 121 2.210 -8.935 11.190 1.00 0.00 C ATOM 1901 O TYR A 121 1.195 -8.968 10.493 1.00 0.00 O ATOM 1902 CB TYR A 121 4.065 -7.261 11.317 1.00 0.00 C ATOM 1903 CG TYR A 121 4.288 -7.633 9.868 1.00 0.00 C ATOM 1904 CD1 TYR A 121 3.651 -6.940 8.846 1.00 0.00 C ATOM 1905 CD2 TYR A 121 5.138 -8.676 9.521 1.00 0.00 C ATOM 1906 CE1 TYR A 121 3.852 -7.277 7.522 1.00 0.00 C ATOM 1907 CE2 TYR A 121 5.345 -9.019 8.199 1.00 0.00 C ATOM 1908 CZ TYR A 121 4.700 -8.317 7.203 1.00 0.00 C ATOM 1909 OH TYR A 121 4.904 -8.654 5.885 1.00 0.00 O ATOM 0 H TYR A 121 3.592 -7.526 13.721 1.00 0.00 H new ATOM 0 HA TYR A 121 1.972 -6.846 11.574 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.211 -6.187 11.434 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.819 -7.754 11.930 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.987 -6.124 9.091 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.646 -9.228 10.298 1.00 0.00 H new ATOM 0 HE1 TYR A 121 3.348 -6.729 6.740 1.00 0.00 H new ATOM 0 HE2 TYR A 121 6.009 -9.833 7.947 1.00 0.00 H new ATOM 0 HH TYR A 121 5.530 -9.407 5.833 1.00 0.00 H new ATOM 1919 N THR A 122 2.960 -10.008 11.425 1.00 0.00 N ATOM 1920 CA THR A 122 2.626 -11.311 10.865 1.00 0.00 C ATOM 1921 C THR A 122 1.268 -11.792 11.363 1.00 0.00 C ATOM 1922 O THR A 122 0.552 -12.500 10.655 1.00 0.00 O ATOM 1923 CB THR A 122 3.693 -12.365 11.219 1.00 0.00 C ATOM 1924 OG1 THR A 122 3.448 -13.573 10.492 1.00 0.00 O ATOM 1925 CG2 THR A 122 3.690 -12.656 12.712 1.00 0.00 C ATOM 0 H THR A 122 3.803 -9.999 12.000 1.00 0.00 H new ATOM 0 HA THR A 122 2.591 -11.190 9.782 1.00 0.00 H new ATOM 0 HB THR A 122 4.670 -11.968 10.944 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.131 -14.237 10.721 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.451 -13.403 12.939 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.906 -11.740 13.262 1.00 0.00 H new ATOM 0 HG23 THR A 122 2.711 -13.034 13.007 1.00 0.00 H new ATOM 1933 N SER A 123 0.919 -11.403 12.585 1.00 0.00 N ATOM 1934 CA SER A 123 -0.353 -11.797 13.179 1.00 0.00 C ATOM 1935 C SER A 123 -1.522 -11.347 12.309 1.00 0.00 C ATOM 1936 O SER A 123 -2.545 -12.025 12.226 1.00 0.00 O ATOM 1937 CB SER A 123 -0.490 -11.205 14.583 1.00 0.00 C ATOM 1938 OG SER A 123 0.072 -12.067 15.558 1.00 0.00 O ATOM 0 H SER A 123 1.500 -10.815 13.183 1.00 0.00 H new ATOM 0 HA SER A 123 -0.372 -12.885 13.248 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.006 -10.235 14.622 1.00 0.00 H new ATOM 0 HB3 SER A 123 -1.543 -11.034 14.808 1.00 0.00 H new ATOM 0 HG SER A 123 -0.027 -11.665 16.446 1.00 0.00 H new ATOM 1944 N GLU A 124 -1.361 -10.197 11.661 1.00 0.00 N ATOM 1945 CA GLU A 124 -2.403 -9.655 10.797 1.00 0.00 C ATOM 1946 C GLU A 124 -2.479 -10.430 9.484 1.00 0.00 C ATOM 1947 O GLU A 124 -3.560 -10.818 9.041 1.00 0.00 O ATOM 1948 CB GLU A 124 -2.142 -8.174 10.513 1.00 0.00 C ATOM 1949 CG GLU A 124 -2.781 -7.239 11.526 1.00 0.00 C ATOM 1950 CD GLU A 124 -2.333 -7.524 12.947 1.00 0.00 C ATOM 1951 OE1 GLU A 124 -2.943 -8.397 13.598 1.00 0.00 O ATOM 1952 OE2 GLU A 124 -1.372 -6.872 13.407 1.00 0.00 O ATOM 0 H GLU A 124 -0.520 -9.623 11.718 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.357 -9.756 11.314 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.066 -8.000 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.518 -7.931 9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -2.533 -6.209 11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.865 -7.330 11.466 1.00 0.00 H new ATOM 1959 N VAL A 125 -1.323 -10.651 8.867 1.00 0.00 N ATOM 1960 CA VAL A 125 -1.257 -11.379 7.605 1.00 0.00 C ATOM 1961 C VAL A 125 -1.983 -12.716 7.704 1.00 0.00 C ATOM 1962 O VAL A 125 -2.717 -13.103 6.795 1.00 0.00 O ATOM 1963 CB VAL A 125 0.201 -11.630 7.177 1.00 0.00 C ATOM 1964 CG1 VAL A 125 0.248 -12.433 5.886 1.00 0.00 C ATOM 1965 CG2 VAL A 125 0.945 -10.312 7.023 1.00 0.00 C ATOM 0 H VAL A 125 -0.419 -10.337 9.220 1.00 0.00 H new ATOM 0 HA VAL A 125 -1.746 -10.757 6.855 1.00 0.00 H new ATOM 0 HB VAL A 125 0.695 -12.211 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 125 1.286 -12.600 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.246 -13.393 6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.262 -11.882 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.974 -10.508 6.720 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.453 -9.703 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 125 0.942 -9.779 7.974 1.00 0.00 H new ATOM 1975 N GLN A 126 -1.774 -13.416 8.814 1.00 0.00 N ATOM 1976 CA GLN A 126 -2.409 -14.710 9.032 1.00 0.00 C ATOM 1977 C GLN A 126 -3.923 -14.563 9.140 1.00 0.00 C ATOM 1978 O GLN A 126 -4.672 -15.170 8.374 1.00 0.00 O ATOM 1979 CB GLN A 126 -1.858 -15.367 10.299 1.00 0.00 C ATOM 1980 CG GLN A 126 -0.339 -15.369 10.371 1.00 0.00 C ATOM 1981 CD GLN A 126 0.273 -16.607 9.745 1.00 0.00 C ATOM 1982 OE1 GLN A 126 -0.397 -17.626 9.575 1.00 0.00 O ATOM 1983 NE2 GLN A 126 1.552 -16.525 9.399 1.00 0.00 N ATOM 0 H GLN A 126 -1.170 -13.109 9.576 1.00 0.00 H new ATOM 0 HA GLN A 126 -2.184 -15.344 8.175 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.254 -14.846 11.170 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -2.217 -16.395 10.351 1.00 0.00 H new ATOM 0 HG2 GLN A 126 0.046 -14.483 9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -0.028 -15.302 11.414 1.00 0.00 H new ATOM 0 HE21 GLN A 126 2.069 -15.660 9.558 1.00 0.00 H new ATOM 0 HE22 GLN A 126 2.018 -17.327 8.974 1.00 0.00 H new ATOM 1992 N ALA A 127 -4.367 -13.752 10.095 1.00 0.00 N ATOM 1993 CA ALA A 127 -5.792 -13.523 10.301 1.00 0.00 C ATOM 1994 C ALA A 127 -6.481 -13.136 8.997 1.00 0.00 C ATOM 1995 O ALA A 127 -7.589 -13.590 8.711 1.00 0.00 O ATOM 1996 CB ALA A 127 -6.006 -12.446 11.354 1.00 0.00 C ATOM 0 H ALA A 127 -3.761 -13.243 10.738 1.00 0.00 H new ATOM 0 HA ALA A 127 -6.237 -14.454 10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -7.074 -12.285 11.498 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -5.557 -12.763 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -5.540 -11.517 11.024 1.00 0.00 H new ATOM 2002 N ILE A 128 -5.818 -12.295 8.210 1.00 0.00 N ATOM 2003 CA ILE A 128 -6.367 -11.848 6.936 1.00 0.00 C ATOM 2004 C ILE A 128 -6.557 -13.018 5.978 1.00 0.00 C ATOM 2005 O ILE A 128 -7.670 -13.291 5.527 1.00 0.00 O ATOM 2006 CB ILE A 128 -5.460 -10.796 6.271 1.00 0.00 C ATOM 2007 CG1 ILE A 128 -5.406 -9.525 7.121 1.00 0.00 C ATOM 2008 CG2 ILE A 128 -5.956 -10.481 4.868 1.00 0.00 C ATOM 2009 CD1 ILE A 128 -4.257 -8.608 6.766 1.00 0.00 C ATOM 0 H ILE A 128 -4.900 -11.910 8.432 1.00 0.00 H new ATOM 0 HA ILE A 128 -7.336 -11.397 7.151 1.00 0.00 H new ATOM 0 HB ILE A 128 -4.451 -11.203 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -6.343 -8.981 7.006 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -5.326 -9.804 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -5.305 -9.736 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -5.946 -11.390 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -6.973 -10.091 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -4.282 -7.728 7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -3.314 -9.135 6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -4.346 -8.299 5.724 1.00 0.00 H new ATOM 2021 N LEU A 129 -5.464 -13.709 5.672 1.00 0.00 N ATOM 2022 CA LEU A 129 -5.509 -14.853 4.768 1.00 0.00 C ATOM 2023 C LEU A 129 -6.722 -15.730 5.062 1.00 0.00 C ATOM 2024 O LEU A 129 -7.511 -16.035 4.168 1.00 0.00 O ATOM 2025 CB LEU A 129 -4.227 -15.677 4.893 1.00 0.00 C ATOM 2026 CG LEU A 129 -2.970 -15.060 4.278 1.00 0.00 C ATOM 2027 CD1 LEU A 129 -1.724 -15.770 4.785 1.00 0.00 C ATOM 2028 CD2 LEU A 129 -3.037 -15.117 2.759 1.00 0.00 C ATOM 0 H LEU A 129 -4.535 -13.497 6.037 1.00 0.00 H new ATOM 0 HA LEU A 129 -5.593 -14.477 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.038 -15.859 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -4.396 -16.648 4.427 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.916 -14.014 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.840 -15.317 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -1.669 -15.678 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.770 -16.824 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -2.135 -14.674 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.115 -16.155 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -3.909 -14.563 2.412 1.00 0.00 H new ATOM 2040 N ALA A 130 -6.865 -16.131 6.321 1.00 0.00 N ATOM 2041 CA ALA A 130 -7.984 -16.970 6.733 1.00 0.00 C ATOM 2042 C ALA A 130 -9.304 -16.213 6.633 1.00 0.00 C ATOM 2043 O ALA A 130 -10.204 -16.609 5.892 1.00 0.00 O ATOM 2044 CB ALA A 130 -7.770 -17.476 8.151 1.00 0.00 C ATOM 0 H ALA A 130 -6.220 -15.889 7.073 1.00 0.00 H new ATOM 0 HA ALA A 130 -8.033 -17.824 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -8.613 -18.101 8.445 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -6.852 -18.062 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -7.692 -16.628 8.832 1.00 0.00 H new ATOM 2050 N PHE A 131 -9.412 -15.121 7.383 1.00 0.00 N ATOM 2051 CA PHE A 131 -10.624 -14.309 7.380 1.00 0.00 C ATOM 2052 C PHE A 131 -11.257 -14.282 5.992 1.00 0.00 C ATOM 2053 O PHE A 131 -12.462 -14.488 5.842 1.00 0.00 O ATOM 2054 CB PHE A 131 -10.308 -12.883 7.837 1.00 0.00 C ATOM 2055 CG PHE A 131 -11.483 -11.951 7.748 1.00 0.00 C ATOM 2056 CD1 PHE A 131 -12.608 -12.157 8.530 1.00 0.00 C ATOM 2057 CD2 PHE A 131 -11.462 -10.870 6.881 1.00 0.00 C ATOM 2058 CE1 PHE A 131 -13.690 -11.301 8.450 1.00 0.00 C ATOM 2059 CE2 PHE A 131 -12.541 -10.011 6.797 1.00 0.00 C ATOM 2060 CZ PHE A 131 -13.657 -10.227 7.582 1.00 0.00 C ATOM 0 H PHE A 131 -8.676 -14.778 8.000 1.00 0.00 H new ATOM 0 HA PHE A 131 -11.334 -14.757 8.075 1.00 0.00 H new ATOM 0 HB2 PHE A 131 -9.953 -12.910 8.867 1.00 0.00 H new ATOM 0 HB3 PHE A 131 -9.494 -12.487 7.230 1.00 0.00 H new ATOM 0 HD1 PHE A 131 -12.640 -12.996 9.210 1.00 0.00 H new ATOM 0 HD2 PHE A 131 -10.593 -10.697 6.264 1.00 0.00 H new ATOM 0 HE1 PHE A 131 -14.561 -11.472 9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -12.512 -9.171 6.118 1.00 0.00 H new ATOM 0 HZ PHE A 131 -14.502 -9.558 7.517 1.00 0.00 H new ATOM 2070 N LEU A 132 -10.436 -14.025 4.979 1.00 0.00 N ATOM 2071 CA LEU A 132 -10.915 -13.970 3.602 1.00 0.00 C ATOM 2072 C LEU A 132 -11.532 -15.301 3.186 1.00 0.00 C ATOM 2073 O LEU A 132 -12.670 -15.350 2.719 1.00 0.00 O ATOM 2074 CB LEU A 132 -9.767 -13.609 2.657 1.00 0.00 C ATOM 2075 CG LEU A 132 -9.070 -12.275 2.926 1.00 0.00 C ATOM 2076 CD1 LEU A 132 -7.727 -12.221 2.213 1.00 0.00 C ATOM 2077 CD2 LEU A 132 -9.953 -11.115 2.491 1.00 0.00 C ATOM 0 H LEU A 132 -9.436 -13.852 5.085 1.00 0.00 H new ATOM 0 HA LEU A 132 -11.684 -13.200 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.021 -14.402 2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -10.153 -13.595 1.638 1.00 0.00 H new ATOM 0 HG LEU A 132 -8.893 -12.189 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -7.246 -11.264 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -7.092 -13.031 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -7.880 -12.329 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -9.441 -10.174 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -10.161 -11.196 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.890 -11.143 3.047 1.00 0.00 H new ATOM 2089 N SER A 133 -10.774 -16.379 3.361 1.00 0.00 N ATOM 2090 CA SER A 133 -11.246 -17.711 3.002 1.00 0.00 C ATOM 2091 C SER A 133 -12.641 -17.964 3.567 1.00 0.00 C ATOM 2092 O SER A 133 -13.491 -18.566 2.909 1.00 0.00 O ATOM 2093 CB SER A 133 -10.275 -18.775 3.517 1.00 0.00 C ATOM 2094 OG SER A 133 -10.288 -19.923 2.685 1.00 0.00 O ATOM 0 H SER A 133 -9.831 -16.356 3.749 1.00 0.00 H new ATOM 0 HA SER A 133 -11.297 -17.771 1.915 1.00 0.00 H new ATOM 0 HB2 SER A 133 -9.267 -18.363 3.557 1.00 0.00 H new ATOM 0 HB3 SER A 133 -10.545 -19.056 4.535 1.00 0.00 H new ATOM 0 HG SER A 133 -9.658 -20.587 3.034 1.00 0.00 H new ATOM 2100 N LEU A 134 -12.869 -17.500 4.791 1.00 0.00 N ATOM 2101 CA LEU A 134 -14.161 -17.675 5.447 1.00 0.00 C ATOM 2102 C LEU A 134 -15.278 -17.037 4.627 1.00 0.00 C ATOM 2103 O LEU A 134 -16.357 -17.611 4.479 1.00 0.00 O ATOM 2104 CB LEU A 134 -14.129 -17.065 6.849 1.00 0.00 C ATOM 2105 CG LEU A 134 -12.988 -17.525 7.756 1.00 0.00 C ATOM 2106 CD1 LEU A 134 -13.052 -16.813 9.099 1.00 0.00 C ATOM 2107 CD2 LEU A 134 -13.035 -19.034 7.948 1.00 0.00 C ATOM 0 H LEU A 134 -12.177 -17.000 5.349 1.00 0.00 H new ATOM 0 HA LEU A 134 -14.359 -18.744 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -14.073 -15.981 6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -15.073 -17.292 7.344 1.00 0.00 H new ATOM 0 HG LEU A 134 -12.043 -17.268 7.277 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -12.232 -17.154 9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -12.969 -15.737 8.945 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -14.002 -17.037 9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -12.215 -19.344 8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -13.985 -19.313 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -12.939 -19.527 6.981 1.00 0.00 H new