USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 749 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 83 ASN :FLIP amide:sc= -4.08! C(o=-4.2!,f=-3.5!) USER MOD Set 1.2: A 96 THR OG1 : rot 90:sc= 0.0651 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0.472 USER MOD Set 2.1: A 73 SER OG : rot -150:sc= -0.404! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -3.28! C(o=-3.7!,f=-10!) USER MOD Set 3.1: A 30 SER OG : rot -170:sc= 0.0341 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -172:sc= -0.0104 (180deg=-0.223) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.91! X(o=-1.9!,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.4) USER MOD Single : A 29 SER OG : rot 80:sc= -0.833 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 33 TYR OH : rot 70:sc= -1.74! USER MOD Single : A 34 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0773 F(o=-0.93,f=-0.077) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -5.63! C(o=-6.5!,f=-5.6!) USER MOD Single : A 45 SER OG : rot -50:sc= 0.319 USER MOD Single : A 47 SER OG : rot -57:sc= -3.13 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.88! C(o=-1.9!,f=-5.3!) USER MOD Single : A 68 SER OG : rot 3:sc= -0.0751 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.863 X(o=-0.86,f=-0.8) USER MOD Single : A 76 SER OG : rot 51:sc= 1.21 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0931 X(o=-0.093,f=-0.09) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00318 USER MOD Single : A 93 SER OG : rot 73:sc= 0.299 USER MOD Single : A 97 TYR OH : rot 64:sc= -2.65 USER MOD Single : A 100 ASN : amide:sc= -6.01! C(o=-6!,f=-16!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= 1.1 F(o=-0.12,f=1.1) USER MOD Single : A 109 SER OG : rot -170:sc= -6.45! USER MOD Single : A 114 SER OG : rot -175:sc= -2.54! USER MOD Single : A 119 SER OG : rot -160:sc= -0.248 USER MOD Single : A 123 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 31.862 -1.298 3.475 1.00 0.00 N ATOM 26 CA ARG A 8 30.458 -1.415 3.104 1.00 0.00 C ATOM 27 C ARG A 8 29.883 -0.053 2.730 1.00 0.00 C ATOM 28 O ARG A 8 30.622 0.875 2.402 1.00 0.00 O ATOM 29 CB ARG A 8 29.643 -2.037 4.244 1.00 0.00 C ATOM 30 CG ARG A 8 30.444 -2.950 5.162 1.00 0.00 C ATOM 31 CD ARG A 8 29.586 -3.496 6.291 1.00 0.00 C ATOM 32 NE ARG A 8 29.563 -2.599 7.444 1.00 0.00 N ATOM 33 CZ ARG A 8 29.030 -2.923 8.618 1.00 0.00 C ATOM 34 NH1 ARG A 8 28.479 -4.116 8.791 1.00 0.00 N ATOM 35 NH2 ARG A 8 29.047 -2.053 9.619 1.00 0.00 N ATOM 0 HA ARG A 8 30.394 -2.070 2.235 1.00 0.00 H new ATOM 0 HB2 ARG A 8 29.204 -1.237 4.840 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.817 -2.605 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 8 30.857 -3.777 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 8 31.288 -2.400 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 8 28.569 -3.650 5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 8 29.967 -4.470 6.597 1.00 0.00 H new ATOM 0 HE ARG A 8 29.979 -1.673 7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.464 -4.787 8.023 1.00 0.00 H new ATOM 0 HH12 ARG A 8 28.070 -4.363 9.692 1.00 0.00 H new ATOM 0 HH21 ARG A 8 29.469 -1.134 9.489 1.00 0.00 H new ATOM 0 HH22 ARG A 8 28.638 -2.303 10.519 1.00 0.00 H new ATOM 49 N CYS A 9 28.560 0.058 2.775 1.00 0.00 N ATOM 50 CA CYS A 9 27.882 1.295 2.421 1.00 0.00 C ATOM 51 C CYS A 9 27.373 2.018 3.665 1.00 0.00 C ATOM 52 O CYS A 9 27.220 1.414 4.726 1.00 0.00 O ATOM 53 CB CYS A 9 26.714 0.988 1.485 1.00 0.00 C ATOM 54 SG CYS A 9 27.214 0.559 -0.214 1.00 0.00 S ATOM 0 H CYS A 9 27.935 -0.698 3.055 1.00 0.00 H new ATOM 0 HA CYS A 9 28.595 1.947 1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.136 0.163 1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 9 26.053 1.854 1.450 1.00 0.00 H new ATOM 59 N PRO A 10 27.092 3.327 3.546 1.00 0.00 N ATOM 60 CA PRO A 10 26.597 4.132 4.664 1.00 0.00 C ATOM 61 C PRO A 10 25.211 3.695 5.118 1.00 0.00 C ATOM 62 O PRO A 10 24.580 2.845 4.491 1.00 0.00 O ATOM 63 CB PRO A 10 26.550 5.554 4.102 1.00 0.00 C ATOM 64 CG PRO A 10 26.493 5.384 2.626 1.00 0.00 C ATOM 65 CD PRO A 10 27.247 4.123 2.318 1.00 0.00 C ATOM 0 HA PRO A 10 27.234 4.034 5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.679 6.095 4.471 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.429 6.125 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.461 5.314 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.941 6.239 2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.833 3.609 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 10 28.296 4.325 2.099 1.00 0.00 H new ATOM 73 N SER A 11 24.740 4.284 6.211 1.00 0.00 N ATOM 74 CA SER A 11 23.424 3.961 6.741 1.00 0.00 C ATOM 75 C SER A 11 22.354 4.134 5.664 1.00 0.00 C ATOM 76 O SER A 11 22.036 5.258 5.275 1.00 0.00 O ATOM 77 CB SER A 11 23.104 4.854 7.940 1.00 0.00 C ATOM 78 OG SER A 11 21.722 4.815 8.252 1.00 0.00 O ATOM 0 H SER A 11 25.250 4.987 6.746 1.00 0.00 H new ATOM 0 HA SER A 11 23.430 2.920 7.064 1.00 0.00 H new ATOM 0 HB2 SER A 11 23.684 4.530 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 11 23.402 5.880 7.723 1.00 0.00 H new ATOM 0 HG SER A 11 21.544 5.393 9.023 1.00 0.00 H new ATOM 84 N PRO A 12 21.794 3.024 5.152 1.00 0.00 N ATOM 85 CA PRO A 12 20.770 3.075 4.110 1.00 0.00 C ATOM 86 C PRO A 12 19.679 4.091 4.418 1.00 0.00 C ATOM 87 O PRO A 12 19.499 4.495 5.567 1.00 0.00 O ATOM 88 CB PRO A 12 20.190 1.666 4.106 1.00 0.00 C ATOM 89 CG PRO A 12 21.283 0.794 4.617 1.00 0.00 C ATOM 90 CD PRO A 12 22.112 1.639 5.549 1.00 0.00 C ATOM 0 HA PRO A 12 21.187 3.382 3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.306 1.602 4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.885 1.368 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.875 -0.072 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.891 0.414 3.796 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.854 1.453 6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.176 1.427 5.441 1.00 0.00 H new ATOM 98 N ARG A 13 18.952 4.499 3.385 1.00 0.00 N ATOM 99 CA ARG A 13 17.858 5.438 3.550 1.00 0.00 C ATOM 100 C ARG A 13 16.661 4.736 4.163 1.00 0.00 C ATOM 101 O ARG A 13 16.680 3.523 4.353 1.00 0.00 O ATOM 102 CB ARG A 13 17.484 6.045 2.202 1.00 0.00 C ATOM 103 CG ARG A 13 17.181 7.529 2.267 1.00 0.00 C ATOM 104 CD ARG A 13 15.954 7.863 1.446 1.00 0.00 C ATOM 105 NE ARG A 13 15.956 9.250 0.987 1.00 0.00 N ATOM 106 CZ ARG A 13 14.870 9.884 0.557 1.00 0.00 C ATOM 107 NH1 ARG A 13 14.952 11.145 0.154 1.00 0.00 N ATOM 108 NH2 ARG A 13 13.701 9.258 0.529 1.00 0.00 N ATOM 0 H ARG A 13 19.103 4.192 2.424 1.00 0.00 H new ATOM 0 HA ARG A 13 18.174 6.239 4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.301 5.880 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.613 5.522 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.023 7.828 3.303 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.036 8.096 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.904 7.197 0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.060 7.681 2.042 1.00 0.00 H new ATOM 0 HE ARG A 13 16.839 9.760 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.849 11.629 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.118 11.630 -0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.634 8.288 0.838 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.869 9.746 0.199 1.00 0.00 H new ATOM 122 N ASP A 14 15.628 5.498 4.485 1.00 0.00 N ATOM 123 CA ASP A 14 14.441 4.927 5.101 1.00 0.00 C ATOM 124 C ASP A 14 13.178 5.310 4.348 1.00 0.00 C ATOM 125 O ASP A 14 13.229 5.972 3.312 1.00 0.00 O ATOM 126 CB ASP A 14 14.334 5.375 6.553 1.00 0.00 C ATOM 127 CG ASP A 14 13.806 4.280 7.459 1.00 0.00 C ATOM 128 OD1 ASP A 14 12.815 3.622 7.079 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.384 4.081 8.548 1.00 0.00 O ATOM 0 H ASP A 14 15.587 6.506 4.332 1.00 0.00 H new ATOM 0 HA ASP A 14 14.539 3.842 5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.315 5.693 6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.677 6.242 6.615 1.00 0.00 H new ATOM 134 N ILE A 15 12.048 4.878 4.885 1.00 0.00 N ATOM 135 CA ILE A 15 10.750 5.146 4.281 1.00 0.00 C ATOM 136 C ILE A 15 9.682 5.315 5.350 1.00 0.00 C ATOM 137 O ILE A 15 9.695 4.621 6.367 1.00 0.00 O ATOM 138 CB ILE A 15 10.323 4.003 3.346 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.981 4.326 2.690 1.00 0.00 C ATOM 140 CG2 ILE A 15 10.232 2.699 4.119 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.651 3.420 1.529 1.00 0.00 C ATOM 0 H ILE A 15 12.003 4.335 5.747 1.00 0.00 H new ATOM 0 HA ILE A 15 10.850 6.067 3.706 1.00 0.00 H new ATOM 0 HB ILE A 15 11.074 3.894 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.191 4.250 3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.993 5.359 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.929 1.897 3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.205 2.463 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.497 2.800 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.686 3.703 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.421 3.514 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.607 2.387 1.875 1.00 0.00 H new ATOM 153 N ASP A 16 8.750 6.227 5.115 1.00 0.00 N ATOM 154 CA ASP A 16 7.653 6.433 6.039 1.00 0.00 C ATOM 155 C ASP A 16 6.574 5.394 5.785 1.00 0.00 C ATOM 156 O ASP A 16 6.503 4.816 4.700 1.00 0.00 O ATOM 157 CB ASP A 16 7.075 7.834 5.876 1.00 0.00 C ATOM 158 CG ASP A 16 6.619 8.431 7.193 1.00 0.00 C ATOM 159 OD1 ASP A 16 5.888 9.443 7.165 1.00 0.00 O ATOM 160 OD2 ASP A 16 6.994 7.886 8.253 1.00 0.00 O ATOM 0 H ASP A 16 8.734 6.832 4.294 1.00 0.00 H new ATOM 0 HA ASP A 16 8.025 6.329 7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.826 8.484 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.232 7.798 5.186 1.00 0.00 H new ATOM 165 N ASN A 17 5.756 5.129 6.793 1.00 0.00 N ATOM 166 CA ASN A 17 4.694 4.136 6.664 1.00 0.00 C ATOM 167 C ASN A 17 5.245 2.833 6.084 1.00 0.00 C ATOM 168 O ASN A 17 4.522 2.074 5.439 1.00 0.00 O ATOM 169 CB ASN A 17 3.569 4.665 5.765 1.00 0.00 C ATOM 170 CG ASN A 17 3.386 6.171 5.860 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.003 6.821 4.887 1.00 0.00 O ATOM 172 ND2 ASN A 17 3.662 6.736 7.031 1.00 0.00 N ATOM 0 H ASN A 17 5.804 5.583 7.705 1.00 0.00 H new ATOM 0 HA ASN A 17 4.292 3.940 7.658 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.782 4.396 4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.634 4.174 6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.559 7.744 7.148 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.977 6.162 7.813 1.00 0.00 H new ATOM 179 N GLY A 18 6.538 2.599 6.298 1.00 0.00 N ATOM 180 CA GLY A 18 7.174 1.403 5.775 1.00 0.00 C ATOM 181 C GLY A 18 8.374 0.970 6.598 1.00 0.00 C ATOM 182 O GLY A 18 8.817 1.693 7.491 1.00 0.00 O ATOM 0 H GLY A 18 7.156 3.217 6.824 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.446 0.592 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.489 1.584 4.747 1.00 0.00 H new ATOM 186 N GLN A 19 8.893 -0.219 6.302 1.00 0.00 N ATOM 187 CA GLN A 19 10.054 -0.756 7.006 1.00 0.00 C ATOM 188 C GLN A 19 11.009 -1.422 6.022 1.00 0.00 C ATOM 189 O GLN A 19 10.578 -2.048 5.054 1.00 0.00 O ATOM 190 CB GLN A 19 9.628 -1.772 8.075 1.00 0.00 C ATOM 191 CG GLN A 19 8.221 -1.560 8.613 1.00 0.00 C ATOM 192 CD GLN A 19 8.112 -1.857 10.096 1.00 0.00 C ATOM 193 OE1 GLN A 19 8.829 -2.706 10.626 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.212 -1.155 10.775 1.00 0.00 N ATOM 0 H GLN A 19 8.525 -0.832 5.575 1.00 0.00 H new ATOM 0 HA GLN A 19 10.561 0.075 7.496 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.696 -2.775 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.333 -1.726 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.917 -0.529 8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.527 -2.199 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.639 -0.461 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.094 -1.310 11.776 1.00 0.00 H new ATOM 203 N LEU A 20 12.306 -1.295 6.277 1.00 0.00 N ATOM 204 CA LEU A 20 13.312 -1.876 5.399 1.00 0.00 C ATOM 205 C LEU A 20 13.715 -3.273 5.849 1.00 0.00 C ATOM 206 O LEU A 20 13.500 -3.660 6.998 1.00 0.00 O ATOM 207 CB LEU A 20 14.556 -0.997 5.356 1.00 0.00 C ATOM 208 CG LEU A 20 14.314 0.491 5.578 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.555 1.270 5.202 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.121 0.970 4.770 1.00 0.00 C ATOM 0 H LEU A 20 12.684 -0.796 7.082 1.00 0.00 H new ATOM 0 HA LEU A 20 12.867 -1.942 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.256 -1.351 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.040 -1.129 4.388 1.00 0.00 H new ATOM 0 HG LEU A 20 14.094 0.657 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.379 2.334 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.391 0.943 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.790 1.095 4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.967 2.035 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.307 0.799 3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.231 0.420 5.075 1.00 0.00 H new ATOM 222 N ASP A 21 14.347 -4.003 4.941 1.00 0.00 N ATOM 223 CA ASP A 21 14.852 -5.338 5.234 1.00 0.00 C ATOM 224 C ASP A 21 16.325 -5.430 4.853 1.00 0.00 C ATOM 225 O ASP A 21 16.680 -6.042 3.845 1.00 0.00 O ATOM 226 CB ASP A 21 14.045 -6.397 4.481 1.00 0.00 C ATOM 227 CG ASP A 21 13.984 -7.715 5.227 1.00 0.00 C ATOM 228 OD1 ASP A 21 14.093 -7.699 6.471 1.00 0.00 O ATOM 229 OD2 ASP A 21 13.827 -8.764 4.567 1.00 0.00 O ATOM 0 H ASP A 21 14.524 -3.690 3.986 1.00 0.00 H new ATOM 0 HA ASP A 21 14.748 -5.523 6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.032 -6.029 4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.490 -6.559 3.499 1.00 0.00 H new ATOM 234 N ILE A 22 17.175 -4.780 5.643 1.00 0.00 N ATOM 235 CA ILE A 22 18.608 -4.745 5.367 1.00 0.00 C ATOM 236 C ILE A 22 19.273 -6.085 5.656 1.00 0.00 C ATOM 237 O ILE A 22 19.631 -6.378 6.796 1.00 0.00 O ATOM 238 CB ILE A 22 19.330 -3.652 6.185 1.00 0.00 C ATOM 239 CG1 ILE A 22 18.414 -2.441 6.411 1.00 0.00 C ATOM 240 CG2 ILE A 22 20.613 -3.238 5.480 1.00 0.00 C ATOM 241 CD1 ILE A 22 19.134 -1.200 6.900 1.00 0.00 C ATOM 0 H ILE A 22 16.896 -4.270 6.481 1.00 0.00 H new ATOM 0 HA ILE A 22 18.699 -4.516 4.305 1.00 0.00 H new ATOM 0 HB ILE A 22 19.585 -4.060 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.903 -2.207 5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 22 17.646 -2.711 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 22 21.116 -2.467 6.063 1.00 0.00 H new ATOM 0 HG22 ILE A 22 21.269 -4.103 5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 22 20.375 -2.847 4.491 1.00 0.00 H new ATOM 0 HD11 ILE A 22 18.415 -0.392 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 22 19.622 -1.413 7.851 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.883 -0.901 6.167 1.00 0.00 H new ATOM 253 N GLY A 23 19.465 -6.880 4.609 1.00 0.00 N ATOM 254 CA GLY A 23 20.148 -8.150 4.760 1.00 0.00 C ATOM 255 C GLY A 23 21.629 -8.035 4.442 1.00 0.00 C ATOM 256 O GLY A 23 22.303 -9.040 4.212 1.00 0.00 O ATOM 0 H GLY A 23 19.160 -6.667 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 20.022 -8.511 5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.691 -8.889 4.102 1.00 0.00 H new ATOM 260 N GLY A 24 22.132 -6.801 4.424 1.00 0.00 N ATOM 261 CA GLY A 24 23.529 -6.560 4.118 1.00 0.00 C ATOM 262 C GLY A 24 23.764 -5.126 3.688 1.00 0.00 C ATOM 263 O GLY A 24 22.853 -4.474 3.177 1.00 0.00 O ATOM 0 H GLY A 24 21.589 -5.959 4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 24 24.138 -6.783 4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.851 -7.236 3.326 1.00 0.00 H new ATOM 267 N VAL A 25 24.975 -4.623 3.898 1.00 0.00 N ATOM 268 CA VAL A 25 25.287 -3.244 3.541 1.00 0.00 C ATOM 269 C VAL A 25 26.626 -3.121 2.817 1.00 0.00 C ATOM 270 O VAL A 25 27.124 -2.013 2.618 1.00 0.00 O ATOM 271 CB VAL A 25 25.306 -2.337 4.786 1.00 0.00 C ATOM 272 CG1 VAL A 25 23.902 -2.176 5.350 1.00 0.00 C ATOM 273 CG2 VAL A 25 26.250 -2.895 5.840 1.00 0.00 C ATOM 0 H VAL A 25 25.750 -5.143 4.309 1.00 0.00 H new ATOM 0 HA VAL A 25 24.497 -2.921 2.863 1.00 0.00 H new ATOM 0 HB VAL A 25 25.670 -1.353 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 25 23.935 -1.532 6.229 1.00 0.00 H new ATOM 0 HG12 VAL A 25 23.256 -1.727 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 25 23.508 -3.153 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 25 26.250 -2.241 6.712 1.00 0.00 H new ATOM 0 HG22 VAL A 25 25.919 -3.891 6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 25 27.259 -2.954 5.431 1.00 0.00 H new ATOM 283 N ASP A 26 27.199 -4.248 2.401 1.00 0.00 N ATOM 284 CA ASP A 26 28.478 -4.227 1.699 1.00 0.00 C ATOM 285 C ASP A 26 28.283 -4.109 0.194 1.00 0.00 C ATOM 286 O ASP A 26 27.189 -4.337 -0.323 1.00 0.00 O ATOM 287 CB ASP A 26 29.294 -5.477 2.020 1.00 0.00 C ATOM 288 CG ASP A 26 30.721 -5.383 1.517 1.00 0.00 C ATOM 289 OD1 ASP A 26 31.332 -6.442 1.262 1.00 0.00 O ATOM 290 OD2 ASP A 26 31.228 -4.249 1.377 1.00 0.00 O ATOM 0 H ASP A 26 26.802 -5.178 2.536 1.00 0.00 H new ATOM 0 HA ASP A 26 29.024 -3.349 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 26 29.302 -5.635 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.811 -6.347 1.574 1.00 0.00 H new ATOM 295 N PHE A 27 29.353 -3.734 -0.499 1.00 0.00 N ATOM 296 CA PHE A 27 29.318 -3.569 -1.949 1.00 0.00 C ATOM 297 C PHE A 27 28.707 -4.793 -2.618 1.00 0.00 C ATOM 298 O PHE A 27 29.412 -5.742 -2.962 1.00 0.00 O ATOM 299 CB PHE A 27 30.733 -3.335 -2.487 1.00 0.00 C ATOM 300 CG PHE A 27 30.811 -2.345 -3.618 1.00 0.00 C ATOM 301 CD1 PHE A 27 29.827 -2.298 -4.597 1.00 0.00 C ATOM 302 CD2 PHE A 27 31.885 -1.474 -3.713 1.00 0.00 C ATOM 303 CE1 PHE A 27 29.911 -1.393 -5.638 1.00 0.00 C ATOM 304 CE2 PHE A 27 31.975 -0.571 -4.756 1.00 0.00 C ATOM 305 CZ PHE A 27 30.987 -0.530 -5.719 1.00 0.00 C ATOM 0 H PHE A 27 30.261 -3.537 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 27 28.698 -2.702 -2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 27 31.366 -2.987 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 27 31.143 -4.287 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 27 28.988 -2.976 -4.544 1.00 0.00 H new ATOM 0 HD2 PHE A 27 32.661 -1.501 -2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 27 29.135 -1.360 -6.389 1.00 0.00 H new ATOM 0 HE2 PHE A 27 32.818 0.102 -4.817 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.055 0.175 -6.534 1.00 0.00 H new ATOM 315 N GLY A 28 27.393 -4.765 -2.797 1.00 0.00 N ATOM 316 CA GLY A 28 26.709 -5.881 -3.415 1.00 0.00 C ATOM 317 C GLY A 28 25.479 -6.318 -2.641 1.00 0.00 C ATOM 318 O GLY A 28 24.700 -7.139 -3.126 1.00 0.00 O ATOM 0 H GLY A 28 26.790 -3.989 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 28 26.416 -5.606 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 28 27.398 -6.722 -3.499 1.00 0.00 H new ATOM 322 N SER A 29 25.298 -5.781 -1.435 1.00 0.00 N ATOM 323 CA SER A 29 24.140 -6.133 -0.623 1.00 0.00 C ATOM 324 C SER A 29 22.893 -5.427 -1.138 1.00 0.00 C ATOM 325 O SER A 29 22.986 -4.408 -1.818 1.00 0.00 O ATOM 326 CB SER A 29 24.381 -5.763 0.841 1.00 0.00 C ATOM 327 OG SER A 29 25.117 -6.774 1.509 1.00 0.00 O ATOM 0 H SER A 29 25.932 -5.108 -1.005 1.00 0.00 H new ATOM 0 HA SER A 29 23.989 -7.210 -0.694 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.922 -4.818 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.425 -5.613 1.343 1.00 0.00 H new ATOM 0 HG SER A 29 26.069 -6.682 1.294 1.00 0.00 H new ATOM 333 N SER A 30 21.727 -5.977 -0.823 1.00 0.00 N ATOM 334 CA SER A 30 20.470 -5.382 -1.255 1.00 0.00 C ATOM 335 C SER A 30 19.477 -5.316 -0.105 1.00 0.00 C ATOM 336 O SER A 30 19.410 -6.220 0.728 1.00 0.00 O ATOM 337 CB SER A 30 19.871 -6.173 -2.421 1.00 0.00 C ATOM 338 OG SER A 30 20.178 -7.552 -2.316 1.00 0.00 O ATOM 0 H SER A 30 21.626 -6.830 -0.273 1.00 0.00 H new ATOM 0 HA SER A 30 20.679 -4.366 -1.591 1.00 0.00 H new ATOM 0 HB2 SER A 30 18.789 -6.039 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.255 -5.783 -3.364 1.00 0.00 H new ATOM 0 HG SER A 30 19.923 -8.008 -3.145 1.00 0.00 H new ATOM 344 N ILE A 31 18.715 -4.231 -0.060 1.00 0.00 N ATOM 345 CA ILE A 31 17.723 -4.033 0.990 1.00 0.00 C ATOM 346 C ILE A 31 16.318 -4.226 0.437 1.00 0.00 C ATOM 347 O ILE A 31 16.081 -4.036 -0.754 1.00 0.00 O ATOM 348 CB ILE A 31 17.811 -2.627 1.634 1.00 0.00 C ATOM 349 CG1 ILE A 31 19.146 -1.943 1.322 1.00 0.00 C ATOM 350 CG2 ILE A 31 17.619 -2.726 3.137 1.00 0.00 C ATOM 351 CD1 ILE A 31 19.198 -0.499 1.759 1.00 0.00 C ATOM 0 H ILE A 31 18.765 -3.472 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 31 17.937 -4.776 1.759 1.00 0.00 H new ATOM 0 HB ILE A 31 17.015 -2.018 1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.950 -2.492 1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.331 -1.997 0.249 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.683 -1.731 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.640 -3.156 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 31 18.396 -3.362 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 31 20.171 -0.077 1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.416 0.064 1.249 1.00 0.00 H new ATOM 0 HD13 ILE A 31 19.045 -0.439 2.836 1.00 0.00 H new ATOM 363 N THR A 32 15.388 -4.601 1.306 1.00 0.00 N ATOM 364 CA THR A 32 14.006 -4.803 0.895 1.00 0.00 C ATOM 365 C THR A 32 13.088 -3.805 1.583 1.00 0.00 C ATOM 366 O THR A 32 12.997 -3.768 2.810 1.00 0.00 O ATOM 367 CB THR A 32 13.558 -6.232 1.209 1.00 0.00 C ATOM 368 OG1 THR A 32 14.665 -7.116 1.209 1.00 0.00 O ATOM 369 CG2 THR A 32 12.539 -6.770 0.229 1.00 0.00 C ATOM 0 H THR A 32 15.565 -4.771 2.296 1.00 0.00 H new ATOM 0 HA THR A 32 13.946 -4.644 -0.182 1.00 0.00 H new ATOM 0 HB THR A 32 13.095 -6.179 2.194 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.358 -8.024 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.265 -7.787 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.651 -6.138 0.244 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.965 -6.774 -0.774 1.00 0.00 H new ATOM 377 N TYR A 33 12.413 -2.991 0.782 1.00 0.00 N ATOM 378 CA TYR A 33 11.518 -1.974 1.306 1.00 0.00 C ATOM 379 C TYR A 33 10.079 -2.475 1.353 1.00 0.00 C ATOM 380 O TYR A 33 9.608 -3.125 0.423 1.00 0.00 O ATOM 381 CB TYR A 33 11.609 -0.716 0.446 1.00 0.00 C ATOM 382 CG TYR A 33 12.652 0.262 0.929 1.00 0.00 C ATOM 383 CD1 TYR A 33 12.286 1.354 1.702 1.00 0.00 C ATOM 384 CD2 TYR A 33 14.002 0.080 0.640 1.00 0.00 C ATOM 385 CE1 TYR A 33 13.228 2.255 2.155 1.00 0.00 C ATOM 386 CE2 TYR A 33 14.951 0.977 1.096 1.00 0.00 C ATOM 387 CZ TYR A 33 14.558 2.060 1.854 1.00 0.00 C ATOM 388 OH TYR A 33 15.497 2.954 2.313 1.00 0.00 O ATOM 0 H TYR A 33 12.470 -3.018 -0.236 1.00 0.00 H new ATOM 0 HA TYR A 33 11.824 -1.740 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.837 -1.002 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.637 -0.223 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.246 1.502 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.312 -0.772 0.053 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.924 3.109 2.743 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.995 0.830 0.860 1.00 0.00 H new ATOM 0 HH TYR A 33 15.587 2.864 3.285 1.00 0.00 H new ATOM 398 N SER A 34 9.385 -2.165 2.443 1.00 0.00 N ATOM 399 CA SER A 34 7.996 -2.583 2.605 1.00 0.00 C ATOM 400 C SER A 34 7.199 -1.546 3.390 1.00 0.00 C ATOM 401 O SER A 34 7.770 -0.727 4.107 1.00 0.00 O ATOM 402 CB SER A 34 7.929 -3.935 3.319 1.00 0.00 C ATOM 403 OG SER A 34 8.883 -4.839 2.790 1.00 0.00 O ATOM 0 H SER A 34 9.759 -1.628 3.225 1.00 0.00 H new ATOM 0 HA SER A 34 7.556 -2.677 1.612 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.107 -3.796 4.385 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.929 -4.355 3.215 1.00 0.00 H new ATOM 0 HG SER A 34 8.821 -5.695 3.264 1.00 0.00 H new ATOM 409 N CYS A 35 5.876 -1.587 3.251 1.00 0.00 N ATOM 410 CA CYS A 35 5.008 -0.656 3.959 1.00 0.00 C ATOM 411 C CYS A 35 4.762 -1.132 5.388 1.00 0.00 C ATOM 412 O CYS A 35 5.179 -2.227 5.766 1.00 0.00 O ATOM 413 CB CYS A 35 3.680 -0.504 3.217 1.00 0.00 C ATOM 414 SG CYS A 35 3.730 0.697 1.848 1.00 0.00 S ATOM 0 H CYS A 35 5.385 -2.254 2.656 1.00 0.00 H new ATOM 0 HA CYS A 35 5.502 0.315 3.999 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.382 -1.476 2.824 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.912 -0.198 3.927 1.00 0.00 H new ATOM 419 N ASN A 36 4.093 -0.302 6.182 1.00 0.00 N ATOM 420 CA ASN A 36 3.809 -0.645 7.573 1.00 0.00 C ATOM 421 C ASN A 36 2.686 -1.673 7.667 1.00 0.00 C ATOM 422 O ASN A 36 2.936 -2.863 7.856 1.00 0.00 O ATOM 423 CB ASN A 36 3.436 0.607 8.369 1.00 0.00 C ATOM 424 CG ASN A 36 4.393 0.868 9.515 1.00 0.00 C ATOM 425 OD1 ASN A 36 5.316 1.797 9.310 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 4.302 0.241 10.570 1.00 0.00 N flip ATOM 0 H ASN A 36 3.739 0.608 5.889 1.00 0.00 H new ATOM 0 HA ASN A 36 4.712 -1.081 7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.428 1.469 7.702 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.425 0.497 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.575 -0.465 10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.954 0.428 11.332 1.00 0.00 H new ATOM 433 N SER A 37 1.450 -1.203 7.547 1.00 0.00 N ATOM 434 CA SER A 37 0.288 -2.081 7.626 1.00 0.00 C ATOM 435 C SER A 37 -0.915 -1.455 6.930 1.00 0.00 C ATOM 436 O SER A 37 -1.210 -0.275 7.119 1.00 0.00 O ATOM 437 CB SER A 37 -0.053 -2.380 9.088 1.00 0.00 C ATOM 438 OG SER A 37 0.069 -3.763 9.368 1.00 0.00 O ATOM 0 H SER A 37 1.226 -0.220 7.395 1.00 0.00 H new ATOM 0 HA SER A 37 0.534 -3.014 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.610 -1.814 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.070 -2.051 9.302 1.00 0.00 H new ATOM 0 HG SER A 37 -0.153 -3.927 10.308 1.00 0.00 H new ATOM 444 N GLY A 38 -1.610 -2.255 6.128 1.00 0.00 N ATOM 445 CA GLY A 38 -2.760 -1.754 5.400 1.00 0.00 C ATOM 446 C GLY A 38 -2.364 -0.724 4.362 1.00 0.00 C ATOM 447 O GLY A 38 -3.173 0.115 3.965 1.00 0.00 O ATOM 0 H GLY A 38 -1.397 -3.240 5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.271 -2.584 4.912 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.468 -1.311 6.100 1.00 0.00 H new ATOM 451 N TYR A 39 -1.109 -0.785 3.933 1.00 0.00 N ATOM 452 CA TYR A 39 -0.587 0.150 2.948 1.00 0.00 C ATOM 453 C TYR A 39 -0.151 -0.580 1.685 1.00 0.00 C ATOM 454 O TYR A 39 -0.030 -1.805 1.674 1.00 0.00 O ATOM 455 CB TYR A 39 0.605 0.909 3.530 1.00 0.00 C ATOM 456 CG TYR A 39 0.244 2.235 4.156 1.00 0.00 C ATOM 457 CD1 TYR A 39 1.068 3.339 3.997 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.914 2.383 4.908 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.748 4.557 4.564 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.243 3.598 5.479 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.409 4.681 5.304 1.00 0.00 C ATOM 462 OH TYR A 39 -0.731 5.892 5.872 1.00 0.00 O ATOM 0 H TYR A 39 -0.432 -1.477 4.255 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.381 0.852 2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.089 0.284 4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.335 1.079 2.739 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.976 3.245 3.420 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.568 1.535 5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.400 5.407 4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.149 3.698 6.059 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.577 5.810 6.359 1.00 0.00 H new ATOM 472 N HIS A 40 0.107 0.182 0.629 1.00 0.00 N ATOM 473 CA HIS A 40 0.581 -0.395 -0.621 1.00 0.00 C ATOM 474 C HIS A 40 1.771 0.396 -1.152 1.00 0.00 C ATOM 475 O HIS A 40 1.693 1.609 -1.343 1.00 0.00 O ATOM 476 CB HIS A 40 -0.543 -0.457 -1.662 1.00 0.00 C ATOM 477 CG HIS A 40 -0.882 0.862 -2.285 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.030 2.090 -1.738 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -1.133 1.013 -3.634 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -1.356 2.952 -2.755 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -1.413 2.279 -3.889 1.00 0.00 N flip ATOM 0 H HIS A 40 -0.004 1.196 0.614 1.00 0.00 H new ATOM 0 HA HIS A 40 0.906 -1.417 -0.424 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.255 -1.154 -2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -1.438 -0.863 -1.189 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -0.920 2.331 -0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.105 0.220 -4.367 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.537 4.011 -2.645 1.00 0.00 H new ATOM 490 N LEU A 41 2.889 -0.297 -1.330 1.00 0.00 N ATOM 491 CA LEU A 41 4.116 0.327 -1.798 1.00 0.00 C ATOM 492 C LEU A 41 4.120 0.443 -3.314 1.00 0.00 C ATOM 493 O LEU A 41 3.891 -0.537 -4.023 1.00 0.00 O ATOM 494 CB LEU A 41 5.325 -0.487 -1.333 1.00 0.00 C ATOM 495 CG LEU A 41 6.679 0.039 -1.802 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.752 -0.268 -0.770 1.00 0.00 C ATOM 497 CD2 LEU A 41 7.039 -0.561 -3.151 1.00 0.00 C ATOM 0 H LEU A 41 2.969 -1.299 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 41 4.174 1.331 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.323 -0.521 -0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.210 -1.513 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 41 6.615 1.121 -1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.712 0.113 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.494 0.209 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.821 -1.346 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.007 -0.177 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.090 -1.646 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.279 -0.290 -3.884 1.00 0.00 H new ATOM 509 N ILE A 42 4.376 1.648 -3.809 1.00 0.00 N ATOM 510 CA ILE A 42 4.400 1.886 -5.245 1.00 0.00 C ATOM 511 C ILE A 42 5.824 2.072 -5.744 1.00 0.00 C ATOM 512 O ILE A 42 6.693 2.555 -5.017 1.00 0.00 O ATOM 513 CB ILE A 42 3.557 3.113 -5.653 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.413 3.347 -4.663 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.004 2.914 -7.053 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.553 2.123 -4.450 1.00 0.00 C ATOM 0 H ILE A 42 4.569 2.472 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 42 3.961 1.002 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 42 4.200 3.993 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.828 3.663 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.789 4.164 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.410 3.783 -7.336 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.828 2.793 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.376 2.023 -7.073 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.761 2.354 -3.738 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.111 1.819 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.166 1.311 -4.059 1.00 0.00 H new ATOM 528 N GLY A 43 6.056 1.678 -6.987 1.00 0.00 N ATOM 529 CA GLY A 43 7.383 1.789 -7.564 1.00 0.00 C ATOM 530 C GLY A 43 8.261 0.609 -7.203 1.00 0.00 C ATOM 531 O GLY A 43 7.785 -0.524 -7.128 1.00 0.00 O ATOM 0 H GLY A 43 5.350 1.283 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.301 1.861 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.853 2.709 -7.217 1.00 0.00 H new ATOM 535 N GLU A 44 9.543 0.870 -6.967 1.00 0.00 N ATOM 536 CA GLU A 44 10.470 -0.182 -6.580 1.00 0.00 C ATOM 537 C GLU A 44 10.196 -0.628 -5.155 1.00 0.00 C ATOM 538 O GLU A 44 9.273 -0.142 -4.510 1.00 0.00 O ATOM 539 CB GLU A 44 11.912 0.309 -6.684 1.00 0.00 C ATOM 540 CG GLU A 44 12.139 1.645 -6.003 1.00 0.00 C ATOM 541 CD GLU A 44 12.750 2.678 -6.929 1.00 0.00 C ATOM 542 OE1 GLU A 44 12.699 3.880 -6.594 1.00 0.00 O ATOM 543 OE2 GLU A 44 13.279 2.284 -7.989 1.00 0.00 O ATOM 0 H GLU A 44 9.960 1.798 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 44 10.328 -1.024 -7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.575 -0.434 -6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.185 0.394 -7.736 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.189 2.021 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.793 1.503 -5.142 1.00 0.00 H new ATOM 550 N SER A 45 11.033 -1.523 -4.660 1.00 0.00 N ATOM 551 CA SER A 45 10.898 -2.031 -3.303 1.00 0.00 C ATOM 552 C SER A 45 12.142 -2.811 -2.899 1.00 0.00 C ATOM 553 O SER A 45 12.075 -3.724 -2.076 1.00 0.00 O ATOM 554 CB SER A 45 9.657 -2.921 -3.195 1.00 0.00 C ATOM 555 OG SER A 45 9.074 -2.834 -1.908 1.00 0.00 O ATOM 0 H SER A 45 11.818 -1.916 -5.180 1.00 0.00 H new ATOM 0 HA SER A 45 10.785 -1.185 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.927 -2.624 -3.948 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.929 -3.956 -3.405 1.00 0.00 H new ATOM 0 HG SER A 45 9.765 -2.970 -1.226 1.00 0.00 H new ATOM 561 N LYS A 46 13.280 -2.438 -3.478 1.00 0.00 N ATOM 562 CA LYS A 46 14.536 -3.102 -3.180 1.00 0.00 C ATOM 563 C LYS A 46 15.720 -2.194 -3.490 1.00 0.00 C ATOM 564 O LYS A 46 15.832 -1.656 -4.592 1.00 0.00 O ATOM 565 CB LYS A 46 14.645 -4.396 -3.980 1.00 0.00 C ATOM 566 CG LYS A 46 14.069 -5.600 -3.258 1.00 0.00 C ATOM 567 CD LYS A 46 14.886 -6.855 -3.524 1.00 0.00 C ATOM 568 CE LYS A 46 16.222 -6.818 -2.800 1.00 0.00 C ATOM 569 NZ LYS A 46 17.090 -7.970 -3.173 1.00 0.00 N ATOM 0 H LYS A 46 13.354 -1.679 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 46 14.555 -3.336 -2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.129 -4.271 -4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.694 -4.586 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.041 -5.403 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.040 -5.760 -3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.322 -7.731 -3.204 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.055 -6.959 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.736 -5.886 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.052 -6.826 -1.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 17.931 -7.983 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 16.560 -8.857 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.386 -7.875 -4.166 1.00 0.00 H new ATOM 583 N SER A 47 16.598 -2.028 -2.508 1.00 0.00 N ATOM 584 CA SER A 47 17.773 -1.182 -2.662 1.00 0.00 C ATOM 585 C SER A 47 19.014 -2.023 -2.891 1.00 0.00 C ATOM 586 O SER A 47 19.081 -3.171 -2.453 1.00 0.00 O ATOM 587 CB SER A 47 17.953 -0.318 -1.414 1.00 0.00 C ATOM 588 OG SER A 47 16.975 -0.626 -0.437 1.00 0.00 O ATOM 0 H SER A 47 16.517 -2.471 -1.593 1.00 0.00 H new ATOM 0 HA SER A 47 17.628 -0.540 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 47 18.949 -0.475 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 47 17.883 0.736 -1.684 1.00 0.00 H new ATOM 0 HG SER A 47 16.081 -0.507 -0.820 1.00 0.00 H new ATOM 594 N TYR A 48 19.998 -1.458 -3.584 1.00 0.00 N ATOM 595 CA TYR A 48 21.233 -2.205 -3.850 1.00 0.00 C ATOM 596 C TYR A 48 22.465 -1.416 -3.441 1.00 0.00 C ATOM 597 O TYR A 48 22.671 -0.282 -3.866 1.00 0.00 O ATOM 598 CB TYR A 48 21.327 -2.633 -5.319 1.00 0.00 C ATOM 599 CG TYR A 48 19.981 -2.871 -5.953 1.00 0.00 C ATOM 600 CD1 TYR A 48 19.610 -2.223 -7.123 1.00 0.00 C ATOM 601 CD2 TYR A 48 19.071 -3.730 -5.359 1.00 0.00 C ATOM 602 CE1 TYR A 48 18.370 -2.436 -7.691 1.00 0.00 C ATOM 603 CE2 TYR A 48 17.830 -3.952 -5.919 1.00 0.00 C ATOM 604 CZ TYR A 48 17.482 -3.303 -7.086 1.00 0.00 C ATOM 605 OH TYR A 48 16.246 -3.521 -7.649 1.00 0.00 O ATOM 0 H TYR A 48 19.973 -0.512 -3.965 1.00 0.00 H new ATOM 0 HA TYR A 48 21.196 -3.107 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 48 21.856 -1.864 -5.882 1.00 0.00 H new ATOM 0 HB3 TYR A 48 21.921 -3.544 -5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 48 20.302 -1.542 -7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.338 -4.234 -4.442 1.00 0.00 H new ATOM 0 HE1 TYR A 48 18.096 -1.927 -8.603 1.00 0.00 H new ATOM 0 HE2 TYR A 48 17.135 -4.630 -5.447 1.00 0.00 H new ATOM 0 HH TYR A 48 15.744 -4.159 -7.100 1.00 0.00 H new ATOM 615 N CYS A 49 23.275 -2.038 -2.597 1.00 0.00 N ATOM 616 CA CYS A 49 24.490 -1.418 -2.098 1.00 0.00 C ATOM 617 C CYS A 49 25.560 -1.365 -3.174 1.00 0.00 C ATOM 618 O CYS A 49 26.026 -2.396 -3.658 1.00 0.00 O ATOM 619 CB CYS A 49 25.024 -2.184 -0.889 1.00 0.00 C ATOM 620 SG CYS A 49 26.611 -1.548 -0.261 1.00 0.00 S ATOM 0 H CYS A 49 23.109 -2.980 -2.242 1.00 0.00 H new ATOM 0 HA CYS A 49 24.242 -0.399 -1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 49 24.285 -2.144 -0.089 1.00 0.00 H new ATOM 0 HB3 CYS A 49 25.145 -3.233 -1.159 1.00 0.00 H new ATOM 625 N GLU A 50 25.961 -0.155 -3.524 1.00 0.00 N ATOM 626 CA GLU A 50 26.991 0.047 -4.523 1.00 0.00 C ATOM 627 C GLU A 50 27.603 1.425 -4.368 1.00 0.00 C ATOM 628 O GLU A 50 27.105 2.264 -3.623 1.00 0.00 O ATOM 629 CB GLU A 50 26.409 -0.151 -5.929 1.00 0.00 C ATOM 630 CG GLU A 50 27.153 0.542 -7.060 1.00 0.00 C ATOM 631 CD GLU A 50 26.447 0.406 -8.395 1.00 0.00 C ATOM 632 OE1 GLU A 50 26.195 1.443 -9.043 1.00 0.00 O ATOM 633 OE2 GLU A 50 26.146 -0.740 -8.793 1.00 0.00 O ATOM 0 H GLU A 50 25.585 0.706 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 50 27.781 -0.690 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.379 -1.220 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.378 0.203 -5.928 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.267 1.599 -6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 50 28.156 0.123 -7.140 1.00 0.00 H new ATOM 640 N LEU A 51 28.699 1.634 -5.057 1.00 0.00 N ATOM 641 CA LEU A 51 29.384 2.915 -5.003 1.00 0.00 C ATOM 642 C LEU A 51 28.958 3.800 -6.171 1.00 0.00 C ATOM 643 O LEU A 51 28.932 3.363 -7.322 1.00 0.00 O ATOM 644 CB LEU A 51 30.912 2.715 -4.947 1.00 0.00 C ATOM 645 CG LEU A 51 31.706 3.110 -6.194 1.00 0.00 C ATOM 646 CD1 LEU A 51 33.020 2.348 -6.259 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.951 4.605 -6.184 1.00 0.00 C ATOM 0 H LEU A 51 29.139 0.940 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 51 29.096 3.430 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 31.299 3.286 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.110 1.664 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 51 31.128 2.851 -7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 51 33.568 2.644 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 51 33.617 2.575 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 51 32.818 1.277 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.517 4.887 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 51 30.996 5.130 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 51 32.517 4.875 -5.292 1.00 0.00 H new ATOM 709 N MET A 57 30.346 6.055 -1.794 1.00 0.00 N ATOM 710 CA MET A 57 29.519 4.872 -1.640 1.00 0.00 C ATOM 711 C MET A 57 28.053 5.269 -1.615 1.00 0.00 C ATOM 712 O MET A 57 27.681 6.245 -0.962 1.00 0.00 O ATOM 713 CB MET A 57 29.883 4.129 -0.353 1.00 0.00 C ATOM 714 CG MET A 57 31.287 4.427 0.153 1.00 0.00 C ATOM 715 SD MET A 57 31.305 5.646 1.482 1.00 0.00 S ATOM 716 CE MET A 57 33.059 5.746 1.833 1.00 0.00 C ATOM 0 HA MET A 57 29.696 4.207 -2.486 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.164 4.392 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 57 29.789 3.057 -0.525 1.00 0.00 H new ATOM 0 HG2 MET A 57 31.745 3.503 0.507 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.898 4.789 -0.674 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.229 6.463 2.636 1.00 0.00 H new ATOM 0 HE2 MET A 57 33.426 4.766 2.138 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.591 6.070 0.939 1.00 0.00 H new ATOM 726 N VAL A 58 27.220 4.522 -2.323 1.00 0.00 N ATOM 727 CA VAL A 58 25.822 4.875 -2.426 1.00 0.00 C ATOM 728 C VAL A 58 24.909 3.659 -2.288 1.00 0.00 C ATOM 729 O VAL A 58 25.350 2.545 -2.007 1.00 0.00 O ATOM 730 CB VAL A 58 25.592 5.647 -3.761 1.00 0.00 C ATOM 731 CG1 VAL A 58 25.192 7.079 -3.463 1.00 0.00 C ATOM 732 CG2 VAL A 58 24.627 4.980 -4.748 1.00 0.00 C ATOM 0 H VAL A 58 27.488 3.677 -2.828 1.00 0.00 H new ATOM 0 HA VAL A 58 25.557 5.528 -1.595 1.00 0.00 H new ATOM 0 HB VAL A 58 26.548 5.629 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 58 25.032 7.614 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 58 24.271 7.086 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 58 25.984 7.568 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 58 24.537 5.597 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 58 25.009 3.997 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 58 23.648 4.871 -4.282 1.00 0.00 H new ATOM 742 N TRP A 59 23.631 3.917 -2.458 1.00 0.00 N ATOM 743 CA TRP A 59 22.608 2.883 -2.380 1.00 0.00 C ATOM 744 C TRP A 59 21.634 2.974 -3.550 1.00 0.00 C ATOM 745 O TRP A 59 21.161 4.056 -3.897 1.00 0.00 O ATOM 746 CB TRP A 59 21.843 2.999 -1.066 1.00 0.00 C ATOM 747 CG TRP A 59 22.536 2.332 0.075 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.388 2.916 0.963 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.452 0.951 0.440 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.834 1.983 1.870 1.00 0.00 N ATOM 751 CE2 TRP A 59 23.273 0.767 1.567 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.756 -0.148 -0.075 1.00 0.00 C ATOM 753 CZ2 TRP A 59 23.421 -0.475 2.183 1.00 0.00 C ATOM 754 CZ3 TRP A 59 21.901 -1.375 0.540 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.720 -1.529 1.658 1.00 0.00 C ATOM 0 H TRP A 59 23.266 4.849 -2.655 1.00 0.00 H new ATOM 0 HA TRP A 59 23.109 1.916 -2.427 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.697 4.053 -0.829 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.853 2.560 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.672 3.958 0.956 1.00 0.00 H new ATOM 0 HE1 TRP A 59 24.476 2.165 2.641 1.00 0.00 H new ATOM 0 HE3 TRP A 59 21.117 -0.038 -0.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 24.064 -0.602 3.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 21.371 -2.231 0.149 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.804 -2.501 2.121 1.00 0.00 H new ATOM 766 N ASN A 60 21.331 1.825 -4.144 1.00 0.00 N ATOM 767 CA ASN A 60 20.386 1.757 -5.252 1.00 0.00 C ATOM 768 C ASN A 60 18.961 1.825 -4.722 1.00 0.00 C ATOM 769 O ASN A 60 18.748 1.640 -3.526 1.00 0.00 O ATOM 770 CB ASN A 60 20.596 0.470 -6.036 1.00 0.00 C ATOM 771 CG ASN A 60 21.424 0.673 -7.286 1.00 0.00 C ATOM 772 OD1 ASN A 60 20.941 1.198 -8.289 1.00 0.00 O ATOM 773 ND2 ASN A 60 22.674 0.240 -7.240 1.00 0.00 N ATOM 0 H ASN A 60 21.728 0.925 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 60 20.554 2.604 -5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 60 21.086 -0.264 -5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.626 0.055 -6.311 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.277 0.336 -8.057 1.00 0.00 H new ATOM 0 HD22 ASN A 60 23.034 -0.189 -6.388 1.00 0.00 H new ATOM 780 N PRO A 61 17.983 2.121 -5.611 1.00 0.00 N ATOM 781 CA PRO A 61 16.562 2.246 -5.305 1.00 0.00 C ATOM 782 C PRO A 61 16.160 1.761 -3.917 1.00 0.00 C ATOM 783 O PRO A 61 15.806 0.600 -3.720 1.00 0.00 O ATOM 784 CB PRO A 61 15.968 1.392 -6.417 1.00 0.00 C ATOM 785 CG PRO A 61 16.884 1.631 -7.594 1.00 0.00 C ATOM 786 CD PRO A 61 18.156 2.264 -7.054 1.00 0.00 C ATOM 0 HA PRO A 61 16.219 3.280 -5.273 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.942 0.338 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.943 1.688 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 61 17.107 0.694 -8.104 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.409 2.286 -8.324 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.049 1.750 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.249 3.309 -7.351 1.00 0.00 H new ATOM 794 N GLU A 62 16.187 2.692 -2.966 1.00 0.00 N ATOM 795 CA GLU A 62 15.868 2.393 -1.577 1.00 0.00 C ATOM 796 C GLU A 62 14.384 2.599 -1.269 1.00 0.00 C ATOM 797 O GLU A 62 13.583 1.685 -1.449 1.00 0.00 O ATOM 798 CB GLU A 62 16.738 3.248 -0.651 1.00 0.00 C ATOM 799 CG GLU A 62 18.219 2.974 -0.784 1.00 0.00 C ATOM 800 CD GLU A 62 19.072 4.017 -0.089 1.00 0.00 C ATOM 801 OE1 GLU A 62 19.066 5.183 -0.536 1.00 0.00 O ATOM 802 OE2 GLU A 62 19.749 3.667 0.901 1.00 0.00 O ATOM 0 H GLU A 62 16.429 3.668 -3.137 1.00 0.00 H new ATOM 0 HA GLU A 62 16.083 1.339 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.552 4.301 -0.862 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.436 3.072 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.441 1.992 -0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.484 2.939 -1.841 1.00 0.00 H new ATOM 809 N ALA A 63 14.027 3.786 -0.777 1.00 0.00 N ATOM 810 CA ALA A 63 12.655 4.069 -0.368 1.00 0.00 C ATOM 811 C ALA A 63 11.749 4.428 -1.543 1.00 0.00 C ATOM 812 O ALA A 63 11.834 5.532 -2.082 1.00 0.00 O ATOM 813 CB ALA A 63 12.648 5.195 0.653 1.00 0.00 C ATOM 0 H ALA A 63 14.672 4.567 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 63 12.256 3.156 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.622 5.404 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.231 4.899 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.085 6.090 0.211 1.00 0.00 H new ATOM 819 N PRO A 64 10.816 3.529 -1.914 1.00 0.00 N ATOM 820 CA PRO A 64 9.846 3.782 -2.973 1.00 0.00 C ATOM 821 C PRO A 64 8.657 4.575 -2.439 1.00 0.00 C ATOM 822 O PRO A 64 8.777 5.273 -1.432 1.00 0.00 O ATOM 823 CB PRO A 64 9.407 2.370 -3.406 1.00 0.00 C ATOM 824 CG PRO A 64 10.151 1.414 -2.520 1.00 0.00 C ATOM 825 CD PRO A 64 10.598 2.206 -1.327 1.00 0.00 C ATOM 0 HA PRO A 64 10.258 4.370 -3.793 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.330 2.246 -3.296 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.643 2.193 -4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.511 0.585 -2.219 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.005 0.984 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.842 2.226 -0.542 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.507 1.800 -0.883 1.00 0.00 H new ATOM 833 N ILE A 65 7.504 4.444 -3.084 1.00 0.00 N ATOM 834 CA ILE A 65 6.305 5.133 -2.625 1.00 0.00 C ATOM 835 C ILE A 65 5.499 4.238 -1.694 1.00 0.00 C ATOM 836 O ILE A 65 5.628 3.017 -1.724 1.00 0.00 O ATOM 837 CB ILE A 65 5.398 5.580 -3.784 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.213 5.861 -5.050 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.603 6.808 -3.380 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.190 7.006 -4.899 1.00 0.00 C ATOM 0 H ILE A 65 7.374 3.872 -3.919 1.00 0.00 H new ATOM 0 HA ILE A 65 6.647 6.023 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 65 4.706 4.768 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.761 4.960 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.530 6.083 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.964 7.116 -4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.986 6.573 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.288 7.618 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.732 7.148 -5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.646 7.918 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.897 6.778 -4.101 1.00 0.00 H new ATOM 852 N CYS A 66 4.663 4.853 -0.872 1.00 0.00 N ATOM 853 CA CYS A 66 3.835 4.110 0.065 1.00 0.00 C ATOM 854 C CYS A 66 2.712 4.981 0.608 1.00 0.00 C ATOM 855 O CYS A 66 2.897 6.173 0.853 1.00 0.00 O ATOM 856 CB CYS A 66 4.683 3.587 1.222 1.00 0.00 C ATOM 857 SG CYS A 66 5.238 1.863 1.022 1.00 0.00 S ATOM 0 H CYS A 66 4.540 5.865 -0.835 1.00 0.00 H new ATOM 0 HA CYS A 66 3.396 3.268 -0.470 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.558 4.228 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.108 3.667 2.144 1.00 0.00 H new ATOM 862 N GLU A 67 1.551 4.373 0.809 1.00 0.00 N ATOM 863 CA GLU A 67 0.393 5.087 1.326 1.00 0.00 C ATOM 864 C GLU A 67 -0.715 4.110 1.691 1.00 0.00 C ATOM 865 O GLU A 67 -0.637 2.924 1.376 1.00 0.00 O ATOM 866 CB GLU A 67 -0.116 6.086 0.284 1.00 0.00 C ATOM 867 CG GLU A 67 -0.837 7.285 0.881 1.00 0.00 C ATOM 868 CD GLU A 67 -0.075 7.916 2.030 1.00 0.00 C ATOM 869 OE1 GLU A 67 -0.584 7.881 3.170 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.029 8.447 1.789 1.00 0.00 O ATOM 0 H GLU A 67 1.386 3.384 0.621 1.00 0.00 H new ATOM 0 HA GLU A 67 0.692 5.628 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.728 6.440 -0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.792 5.571 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.996 8.032 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.821 6.974 1.231 1.00 0.00 H new ATOM 877 N SER A 68 -1.746 4.610 2.359 1.00 0.00 N ATOM 878 CA SER A 68 -2.876 3.775 2.732 1.00 0.00 C ATOM 879 C SER A 68 -3.728 3.470 1.513 1.00 0.00 C ATOM 880 O SER A 68 -4.534 4.293 1.080 1.00 0.00 O ATOM 881 CB SER A 68 -3.722 4.454 3.807 1.00 0.00 C ATOM 882 OG SER A 68 -4.541 5.466 3.249 1.00 0.00 O ATOM 0 H SER A 68 -1.822 5.584 2.652 1.00 0.00 H new ATOM 0 HA SER A 68 -2.490 2.840 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.345 3.712 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.071 4.887 4.567 1.00 0.00 H new ATOM 0 HG SER A 68 -4.418 5.488 2.277 1.00 0.00 H new ATOM 888 N VAL A 69 -3.523 2.286 0.947 1.00 0.00 N ATOM 889 CA VAL A 69 -4.255 1.842 -0.211 1.00 0.00 C ATOM 890 C VAL A 69 -5.745 2.148 -0.076 1.00 0.00 C ATOM 891 O VAL A 69 -6.496 1.387 0.533 1.00 0.00 O ATOM 892 CB VAL A 69 -4.034 0.338 -0.390 1.00 0.00 C ATOM 893 CG1 VAL A 69 -4.397 -0.403 0.884 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.817 -0.173 -1.565 1.00 0.00 C ATOM 0 H VAL A 69 -2.839 1.611 1.288 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.890 2.378 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.978 0.158 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.235 -1.472 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.772 -0.047 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.445 -0.224 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.648 -1.244 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.879 0.012 -1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.493 0.342 -2.470 1.00 0.00 H new ATOM 904 N LYS A 70 -6.150 3.291 -0.614 1.00 0.00 N ATOM 905 CA LYS A 70 -7.531 3.741 -0.516 1.00 0.00 C ATOM 906 C LYS A 70 -8.472 2.882 -1.352 1.00 0.00 C ATOM 907 O LYS A 70 -8.041 2.128 -2.225 1.00 0.00 O ATOM 908 CB LYS A 70 -7.638 5.196 -0.964 1.00 0.00 C ATOM 909 CG LYS A 70 -7.478 6.194 0.168 1.00 0.00 C ATOM 910 CD LYS A 70 -8.301 7.443 -0.084 1.00 0.00 C ATOM 911 CE LYS A 70 -7.436 8.693 -0.086 1.00 0.00 C ATOM 912 NZ LYS A 70 -8.230 9.917 -0.384 1.00 0.00 N ATOM 0 H LYS A 70 -5.537 3.926 -1.125 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.831 3.649 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.877 5.392 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.607 5.351 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.786 5.735 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.427 6.463 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.815 7.354 -1.041 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.070 7.533 0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.952 8.801 0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.644 8.585 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.604 10.747 -0.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.671 9.825 -1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.970 10.035 0.337 1.00 0.00 H new ATOM 926 N CYS A 71 -9.765 3.023 -1.082 1.00 0.00 N ATOM 927 CA CYS A 71 -10.793 2.288 -1.806 1.00 0.00 C ATOM 928 C CYS A 71 -11.751 3.254 -2.480 1.00 0.00 C ATOM 929 O CYS A 71 -12.257 4.184 -1.852 1.00 0.00 O ATOM 930 CB CYS A 71 -11.585 1.354 -0.876 1.00 0.00 C ATOM 931 SG CYS A 71 -10.949 1.205 0.831 1.00 0.00 S ATOM 0 H CYS A 71 -10.127 3.646 -0.360 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.290 1.679 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.616 1.706 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.607 0.360 -1.323 1.00 0.00 H new ATOM 936 N GLN A 72 -12.016 3.015 -3.755 1.00 0.00 N ATOM 937 CA GLN A 72 -12.930 3.858 -4.503 1.00 0.00 C ATOM 938 C GLN A 72 -14.353 3.661 -4.000 1.00 0.00 C ATOM 939 O GLN A 72 -14.560 3.233 -2.864 1.00 0.00 O ATOM 940 CB GLN A 72 -12.834 3.541 -5.997 1.00 0.00 C ATOM 941 CG GLN A 72 -13.441 2.201 -6.384 1.00 0.00 C ATOM 942 CD GLN A 72 -12.483 1.046 -6.170 1.00 0.00 C ATOM 943 OE1 GLN A 72 -11.567 0.829 -6.963 1.00 0.00 O ATOM 944 NE2 GLN A 72 -12.691 0.296 -5.094 1.00 0.00 N ATOM 0 H GLN A 72 -11.612 2.247 -4.290 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.654 4.902 -4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -13.333 4.331 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -11.785 3.553 -6.294 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.345 2.032 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -13.741 2.231 -7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -13.463 0.512 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.079 -0.496 -4.898 1.00 0.00 H new ATOM 953 N SER A 73 -15.335 3.973 -4.837 1.00 0.00 N ATOM 954 CA SER A 73 -16.725 3.811 -4.457 1.00 0.00 C ATOM 955 C SER A 73 -16.974 2.391 -3.954 1.00 0.00 C ATOM 956 O SER A 73 -16.381 1.435 -4.453 1.00 0.00 O ATOM 957 CB SER A 73 -17.632 4.121 -5.643 1.00 0.00 C ATOM 958 OG SER A 73 -18.899 4.581 -5.211 1.00 0.00 O ATOM 0 H SER A 73 -15.191 4.338 -5.779 1.00 0.00 H new ATOM 0 HA SER A 73 -16.953 4.509 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 73 -17.164 4.876 -6.275 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.756 3.226 -6.253 1.00 0.00 H new ATOM 0 HG SER A 73 -19.582 4.321 -5.864 1.00 0.00 H new ATOM 964 N PRO A 74 -17.825 2.236 -2.929 1.00 0.00 N ATOM 965 CA PRO A 74 -18.126 0.924 -2.350 1.00 0.00 C ATOM 966 C PRO A 74 -18.670 -0.051 -3.392 1.00 0.00 C ATOM 967 O PRO A 74 -19.085 0.355 -4.477 1.00 0.00 O ATOM 968 CB PRO A 74 -19.178 1.223 -1.276 1.00 0.00 C ATOM 969 CG PRO A 74 -19.048 2.683 -0.994 1.00 0.00 C ATOM 970 CD PRO A 74 -18.568 3.319 -2.268 1.00 0.00 C ATOM 0 HA PRO A 74 -17.234 0.443 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.180 0.978 -1.628 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.002 0.632 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.004 3.106 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.343 2.861 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.399 3.669 -2.881 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.931 4.182 -2.072 1.00 0.00 H new ATOM 978 N PRO A 75 -18.649 -1.359 -3.083 1.00 0.00 N ATOM 979 CA PRO A 75 -19.120 -2.396 -4.000 1.00 0.00 C ATOM 980 C PRO A 75 -20.383 -1.995 -4.752 1.00 0.00 C ATOM 981 O PRO A 75 -21.124 -1.112 -4.321 1.00 0.00 O ATOM 982 CB PRO A 75 -19.403 -3.567 -3.067 1.00 0.00 C ATOM 983 CG PRO A 75 -18.411 -3.413 -1.964 1.00 0.00 C ATOM 984 CD PRO A 75 -18.161 -1.932 -1.814 1.00 0.00 C ATOM 0 HA PRO A 75 -18.393 -2.610 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.425 -3.536 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.282 -4.521 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.794 -3.837 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.486 -3.941 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.697 -1.521 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.103 -1.719 -1.660 1.00 0.00 H new ATOM 992 N SER A 76 -20.623 -2.660 -5.878 1.00 0.00 N ATOM 993 CA SER A 76 -21.800 -2.390 -6.693 1.00 0.00 C ATOM 994 C SER A 76 -22.792 -3.544 -6.603 1.00 0.00 C ATOM 995 O SER A 76 -22.751 -4.476 -7.405 1.00 0.00 O ATOM 996 CB SER A 76 -21.394 -2.165 -8.150 1.00 0.00 C ATOM 997 OG SER A 76 -20.901 -3.358 -8.734 1.00 0.00 O ATOM 0 H SER A 76 -20.015 -3.392 -6.247 1.00 0.00 H new ATOM 0 HA SER A 76 -22.280 -1.488 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 76 -22.252 -1.806 -8.718 1.00 0.00 H new ATOM 0 HB3 SER A 76 -20.630 -1.389 -8.202 1.00 0.00 H new ATOM 0 HG SER A 76 -21.537 -4.086 -8.577 1.00 0.00 H new ATOM 1003 N ILE A 77 -23.679 -3.478 -5.615 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.673 -4.524 -5.410 1.00 0.00 C ATOM 1005 C ILE A 77 -25.718 -4.520 -6.518 1.00 0.00 C ATOM 1006 O ILE A 77 -25.728 -3.638 -7.376 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.385 -4.368 -4.053 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.175 -3.057 -4.009 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.373 -4.422 -2.920 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.277 -3.050 -2.971 1.00 0.00 C ATOM 0 H ILE A 77 -23.729 -2.711 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.135 -5.472 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 77 -26.087 -5.193 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.489 -2.235 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.610 -2.871 -4.991 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.888 -4.311 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.853 -5.380 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.651 -3.614 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.794 -2.091 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.985 -3.850 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.846 -3.204 -1.982 1.00 0.00 H new ATOM 1022 N SER A 78 -26.599 -5.513 -6.488 1.00 0.00 N ATOM 1023 CA SER A 78 -27.662 -5.622 -7.479 1.00 0.00 C ATOM 1024 C SER A 78 -28.957 -5.031 -6.940 1.00 0.00 C ATOM 1025 O SER A 78 -29.281 -5.193 -5.764 1.00 0.00 O ATOM 1026 CB SER A 78 -27.880 -7.086 -7.867 1.00 0.00 C ATOM 1027 OG SER A 78 -26.647 -7.739 -8.113 1.00 0.00 O ATOM 0 H SER A 78 -26.598 -6.255 -5.788 1.00 0.00 H new ATOM 0 HA SER A 78 -27.363 -5.062 -8.365 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.415 -7.601 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 78 -28.507 -7.140 -8.757 1.00 0.00 H new ATOM 0 HG SER A 78 -26.815 -8.673 -8.357 1.00 0.00 H new ATOM 1033 N ASN A 79 -29.689 -4.336 -7.801 1.00 0.00 N ATOM 1034 CA ASN A 79 -30.946 -3.721 -7.404 1.00 0.00 C ATOM 1035 C ASN A 79 -30.726 -2.726 -6.272 1.00 0.00 C ATOM 1036 O ASN A 79 -31.612 -2.498 -5.449 1.00 0.00 O ATOM 1037 CB ASN A 79 -31.943 -4.796 -6.970 1.00 0.00 C ATOM 1038 CG ASN A 79 -31.869 -6.040 -7.831 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.234 -6.019 -9.007 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -31.401 -7.134 -7.247 1.00 0.00 N ATOM 0 H ASN A 79 -29.433 -4.185 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 79 -31.351 -3.184 -8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.752 -5.066 -5.931 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -32.953 -4.388 -7.013 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -31.332 -8.004 -7.775 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.110 -7.106 -6.270 1.00 0.00 H new ATOM 1047 N GLY A 80 -29.540 -2.128 -6.245 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.221 -1.155 -5.217 1.00 0.00 C ATOM 1049 C GLY A 80 -27.894 -0.466 -5.462 1.00 0.00 C ATOM 1050 O GLY A 80 -27.303 -0.603 -6.533 1.00 0.00 O ATOM 0 H GLY A 80 -28.793 -2.300 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.012 -0.407 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.195 -1.651 -4.247 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.432 0.290 -4.471 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.175 1.016 -4.586 1.00 0.00 C ATOM 1056 C ARG A 81 -25.757 1.605 -3.244 1.00 0.00 C ATOM 1057 O ARG A 81 -26.406 1.376 -2.224 1.00 0.00 O ATOM 1058 CB ARG A 81 -26.297 2.128 -5.629 1.00 0.00 C ATOM 1059 CG ARG A 81 -27.672 2.775 -5.686 1.00 0.00 C ATOM 1060 CD ARG A 81 -27.885 3.501 -7.003 1.00 0.00 C ATOM 1061 NE ARG A 81 -29.301 3.668 -7.316 1.00 0.00 N ATOM 1062 CZ ARG A 81 -29.762 3.895 -8.542 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -28.921 3.981 -9.564 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.064 4.036 -8.747 1.00 0.00 N ATOM 0 H ARG A 81 -27.911 0.415 -3.579 1.00 0.00 H new ATOM 0 HA ARG A 81 -25.408 0.310 -4.905 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -25.554 2.896 -5.415 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -26.058 1.719 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -28.441 2.013 -5.560 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -27.781 3.477 -4.859 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.406 4.479 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -27.400 2.945 -7.805 1.00 0.00 H new ATOM 0 HE ARG A 81 -29.974 3.607 -6.552 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -27.919 3.873 -9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -29.277 4.155 -10.504 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -31.714 3.970 -7.963 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -31.416 4.210 -9.688 1.00 0.00 H new ATOM 1078 N HIS A 82 -24.668 2.363 -3.255 1.00 0.00 N ATOM 1079 CA HIS A 82 -24.158 2.988 -2.039 1.00 0.00 C ATOM 1080 C HIS A 82 -24.583 4.452 -1.956 1.00 0.00 C ATOM 1081 O HIS A 82 -25.249 4.966 -2.855 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.634 2.880 -1.979 1.00 0.00 C ATOM 1083 CG HIS A 82 -21.972 3.019 -3.313 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -21.193 2.028 -3.873 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.996 4.030 -4.213 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -20.757 2.429 -5.054 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.233 3.638 -5.284 1.00 0.00 N ATOM 0 H HIS A 82 -24.120 2.561 -4.092 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.583 2.458 -1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.249 3.650 -1.310 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.363 1.917 -1.547 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -20.986 1.127 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -22.518 4.970 -4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -20.120 1.864 -5.718 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.204 5.116 -0.867 1.00 0.00 N ATOM 1097 CA ASN A 83 -24.556 6.519 -0.669 1.00 0.00 C ATOM 1098 C ASN A 83 -23.313 7.384 -0.486 1.00 0.00 C ATOM 1099 O ASN A 83 -23.397 8.501 0.024 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.465 6.674 0.550 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.470 5.546 0.674 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.747 5.135 1.905 1.00 0.00 O flip ATOM 1103 ND2 ASN A 83 -26.990 5.051 -0.326 1.00 0.00 N flip ATOM 0 H ASN A 83 -23.655 4.707 -0.111 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.083 6.853 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.854 6.712 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.996 7.624 0.484 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -26.746 5.400 -1.253 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -27.665 4.292 -0.227 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.293 8.249 -3.307 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.299 7.392 -2.680 1.00 0.00 C ATOM 1167 C PHE A 88 -12.497 7.298 -1.172 1.00 0.00 C ATOM 1168 O PHE A 88 -13.236 8.085 -0.579 1.00 0.00 O ATOM 1169 CB PHE A 88 -10.899 7.915 -2.988 1.00 0.00 C ATOM 1170 CG PHE A 88 -10.226 7.177 -4.098 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -9.020 6.542 -3.884 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -10.807 7.110 -5.350 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -8.397 5.855 -4.901 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -10.192 6.424 -6.375 1.00 0.00 C ATOM 1175 CZ PHE A 88 -8.982 5.794 -6.152 1.00 0.00 C ATOM 0 HA PHE A 88 -12.419 6.390 -3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.962 8.971 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.286 7.844 -2.089 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.560 6.584 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.753 7.600 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.452 5.364 -4.722 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.654 6.379 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 88 -8.495 5.256 -6.952 1.00 0.00 H new ATOM 1185 N TYR A 89 -11.835 6.319 -0.561 1.00 0.00 N ATOM 1186 CA TYR A 89 -11.941 6.097 0.876 1.00 0.00 C ATOM 1187 C TYR A 89 -10.664 5.472 1.429 1.00 0.00 C ATOM 1188 O TYR A 89 -9.929 4.800 0.707 1.00 0.00 O ATOM 1189 CB TYR A 89 -13.140 5.193 1.176 1.00 0.00 C ATOM 1190 CG TYR A 89 -14.466 5.790 0.764 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -15.298 6.392 1.697 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -14.884 5.748 -0.560 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -16.512 6.937 1.323 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -16.094 6.291 -0.943 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.905 6.885 0.002 1.00 0.00 C ATOM 1196 OH TYR A 89 -18.113 7.426 -0.375 1.00 0.00 O ATOM 0 H TYR A 89 -11.217 5.665 -1.042 1.00 0.00 H new ATOM 0 HA TYR A 89 -12.085 7.062 1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.004 4.241 0.662 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.164 4.978 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.992 6.435 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.252 5.283 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.149 7.401 2.061 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -16.404 6.251 -1.977 1.00 0.00 H new ATOM 0 HH TYR A 89 -18.238 7.307 -1.340 1.00 0.00 H new ATOM 1206 N THR A 90 -10.408 5.692 2.716 1.00 0.00 N ATOM 1207 CA THR A 90 -9.204 5.173 3.353 1.00 0.00 C ATOM 1208 C THR A 90 -9.520 4.079 4.366 1.00 0.00 C ATOM 1209 O THR A 90 -10.664 3.644 4.497 1.00 0.00 O ATOM 1210 CB THR A 90 -8.450 6.307 4.043 1.00 0.00 C ATOM 1211 OG1 THR A 90 -9.336 7.348 4.413 1.00 0.00 O ATOM 1212 CG2 THR A 90 -7.373 6.905 3.174 1.00 0.00 C ATOM 0 H THR A 90 -11.018 6.225 3.336 1.00 0.00 H new ATOM 0 HA THR A 90 -8.584 4.735 2.571 1.00 0.00 H new ATOM 0 HB THR A 90 -7.986 5.861 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.833 8.064 4.855 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.871 7.706 3.716 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.648 6.135 2.911 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.820 7.307 2.265 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.485 3.638 5.079 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.628 2.596 6.082 1.00 0.00 C ATOM 1222 C ASP A 91 -9.400 3.102 7.287 1.00 0.00 C ATOM 1223 O ASP A 91 -8.840 3.724 8.189 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.256 2.084 6.520 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.372 1.722 5.343 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.889 1.665 4.208 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.162 1.497 5.557 1.00 0.00 O ATOM 0 H ASP A 91 -7.534 3.992 4.976 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.188 1.775 5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.761 2.847 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.384 1.209 7.157 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.691 2.826 7.286 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.541 3.233 8.385 1.00 0.00 C ATOM 1234 C GLY A 92 -12.724 4.071 7.939 1.00 0.00 C ATOM 1235 O GLY A 92 -13.290 4.825 8.731 1.00 0.00 O ATOM 0 H GLY A 92 -11.171 2.324 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.906 2.346 8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.950 3.801 9.103 1.00 0.00 H new ATOM 1239 N SER A 93 -13.104 3.941 6.671 1.00 0.00 N ATOM 1240 CA SER A 93 -14.234 4.686 6.135 1.00 0.00 C ATOM 1241 C SER A 93 -15.497 3.835 6.157 1.00 0.00 C ATOM 1242 O SER A 93 -15.428 2.606 6.171 1.00 0.00 O ATOM 1243 CB SER A 93 -13.939 5.148 4.707 1.00 0.00 C ATOM 1244 OG SER A 93 -12.544 5.182 4.460 1.00 0.00 O ATOM 0 H SER A 93 -12.645 3.327 5.998 1.00 0.00 H new ATOM 0 HA SER A 93 -14.393 5.562 6.763 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.421 4.476 3.997 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.364 6.139 4.547 1.00 0.00 H new ATOM 0 HG SER A 93 -12.203 4.266 4.384 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.650 4.492 6.166 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.925 3.789 6.191 1.00 0.00 C ATOM 1252 C VAL A 94 -18.911 4.402 5.205 1.00 0.00 C ATOM 1253 O VAL A 94 -18.858 5.596 4.910 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.541 3.789 7.606 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -17.618 3.080 8.581 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.918 3.137 7.604 1.00 0.00 C ATOM 0 H VAL A 94 -16.728 5.509 6.156 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.726 2.758 5.897 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.660 4.824 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.064 3.087 9.575 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.469 2.050 8.257 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.657 3.593 8.611 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -20.329 3.151 8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.580 3.687 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.832 2.106 7.261 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.814 3.569 4.704 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.825 4.011 3.753 1.00 0.00 C ATOM 1268 C VAL A 95 -22.102 3.197 3.904 1.00 0.00 C ATOM 1269 O VAL A 95 -22.060 2.012 4.233 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.327 3.887 2.302 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -21.278 4.584 1.344 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -18.922 4.449 2.166 1.00 0.00 C ATOM 0 H VAL A 95 -19.867 2.579 4.942 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.029 5.059 3.971 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.298 2.829 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.906 4.483 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.266 4.129 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -21.346 5.641 1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.589 4.351 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.922 5.502 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.245 3.898 2.819 1.00 0.00 H new ATOM 1282 N THR A 96 -23.236 3.840 3.665 1.00 0.00 N ATOM 1283 CA THR A 96 -24.524 3.171 3.754 1.00 0.00 C ATOM 1284 C THR A 96 -25.028 2.810 2.363 1.00 0.00 C ATOM 1285 O THR A 96 -24.836 3.564 1.410 1.00 0.00 O ATOM 1286 CB THR A 96 -25.541 4.066 4.465 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.111 5.416 4.458 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.786 3.668 5.905 1.00 0.00 C ATOM 0 H THR A 96 -23.289 4.826 3.408 1.00 0.00 H new ATOM 0 HA THR A 96 -24.399 2.255 4.332 1.00 0.00 H new ATOM 0 HB THR A 96 -26.471 3.945 3.910 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.451 5.863 3.655 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.517 4.343 6.350 1.00 0.00 H new ATOM 0 HG22 THR A 96 -26.166 2.647 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.851 3.727 6.463 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.654 1.646 2.246 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.169 1.193 0.963 1.00 0.00 C ATOM 1298 C TYR A 97 -27.667 1.435 0.855 1.00 0.00 C ATOM 1299 O TYR A 97 -28.367 1.539 1.863 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.863 -0.288 0.760 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.524 -0.548 0.115 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -24.410 -1.416 -0.961 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -23.372 0.066 0.588 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -23.186 -1.661 -1.551 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -22.146 -0.173 0.006 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.057 -1.038 -1.063 1.00 0.00 C ATOM 1307 OH TYR A 97 -20.835 -1.280 -1.649 1.00 0.00 O ATOM 0 H TYR A 97 -25.816 1.002 3.020 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.673 1.769 0.182 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.895 -0.792 1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.645 -0.730 0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -25.292 -1.908 -1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -23.438 0.743 1.427 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -23.113 -2.337 -2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -21.260 0.315 0.385 1.00 0.00 H new ATOM 0 HH TYR A 97 -20.844 -0.951 -2.572 1.00 0.00 H new ATOM 1317 N SER A 98 -28.150 1.526 -0.377 1.00 0.00 N ATOM 1318 CA SER A 98 -29.565 1.767 -0.629 1.00 0.00 C ATOM 1319 C SER A 98 -30.004 1.136 -1.945 1.00 0.00 C ATOM 1320 O SER A 98 -29.266 1.155 -2.931 1.00 0.00 O ATOM 1321 CB SER A 98 -29.846 3.269 -0.654 1.00 0.00 C ATOM 1322 OG SER A 98 -29.431 3.886 0.552 1.00 0.00 O ATOM 0 H SER A 98 -27.582 1.436 -1.219 1.00 0.00 H new ATOM 0 HA SER A 98 -30.135 1.306 0.178 1.00 0.00 H new ATOM 0 HB2 SER A 98 -29.327 3.725 -1.497 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.912 3.440 -0.806 1.00 0.00 H new ATOM 0 HG SER A 98 -29.620 4.847 0.510 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.212 0.582 -1.957 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.752 -0.049 -3.154 1.00 0.00 C ATOM 1330 C CYS A 99 -32.122 0.997 -4.200 1.00 0.00 C ATOM 1331 O CYS A 99 -32.200 2.188 -3.899 1.00 0.00 O ATOM 1332 CB CYS A 99 -32.976 -0.894 -2.802 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.654 -2.177 -1.548 1.00 0.00 S ATOM 0 H CYS A 99 -31.835 0.558 -1.150 1.00 0.00 H new ATOM 0 HA CYS A 99 -30.982 -0.697 -3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.767 -0.237 -2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.348 -1.371 -3.708 1.00 0.00 H new ATOM 1338 N ASN A 100 -32.342 0.547 -5.431 1.00 0.00 N ATOM 1339 CA ASN A 100 -32.708 1.453 -6.518 1.00 0.00 C ATOM 1340 C ASN A 100 -34.220 1.471 -6.729 1.00 0.00 C ATOM 1341 O ASN A 100 -34.923 2.313 -6.171 1.00 0.00 O ATOM 1342 CB ASN A 100 -32.001 1.072 -7.829 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.693 -0.410 -7.941 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -32.517 -1.255 -7.592 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -30.502 -0.728 -8.435 1.00 0.00 N ATOM 0 H ASN A 100 -32.274 -0.434 -5.702 1.00 0.00 H new ATOM 0 HA ASN A 100 -32.381 2.452 -6.229 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -32.627 1.370 -8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -31.071 1.635 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.238 -1.708 -8.538 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -29.851 0.008 -8.711 1.00 0.00 H new ATOM 1352 N SER A 101 -34.714 0.536 -7.535 1.00 0.00 N ATOM 1353 CA SER A 101 -36.143 0.452 -7.827 1.00 0.00 C ATOM 1354 C SER A 101 -36.979 0.559 -6.554 1.00 0.00 C ATOM 1355 O SER A 101 -38.114 1.033 -6.585 1.00 0.00 O ATOM 1356 CB SER A 101 -36.459 -0.861 -8.545 1.00 0.00 C ATOM 1357 OG SER A 101 -37.099 -0.622 -9.786 1.00 0.00 O ATOM 0 H SER A 101 -34.147 -0.174 -7.998 1.00 0.00 H new ATOM 0 HA SER A 101 -36.400 1.290 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 101 -35.538 -1.420 -8.709 1.00 0.00 H new ATOM 0 HB3 SER A 101 -37.099 -1.479 -7.915 1.00 0.00 H new ATOM 0 HG SER A 101 -37.289 -1.477 -10.226 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.412 0.114 -5.437 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.122 0.173 -4.173 1.00 0.00 C ATOM 1365 C GLY A 102 -37.143 -1.163 -3.455 1.00 0.00 C ATOM 1366 O GLY A 102 -38.162 -1.554 -2.887 1.00 0.00 O ATOM 0 H GLY A 102 -35.475 -0.286 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.653 0.919 -3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.146 0.503 -4.350 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.014 -1.862 -3.483 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.897 -3.158 -2.832 1.00 0.00 C ATOM 1372 C TYR A 103 -35.654 -2.993 -1.337 1.00 0.00 C ATOM 1373 O TYR A 103 -35.674 -1.879 -0.813 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.751 -3.954 -3.461 1.00 0.00 C ATOM 1375 CG TYR A 103 -35.119 -4.618 -4.768 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.067 -3.914 -5.964 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -35.518 -5.948 -4.805 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -35.401 -4.517 -7.162 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.852 -6.559 -5.999 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.794 -5.839 -7.174 1.00 0.00 C ATOM 1381 OH TYR A 103 -36.129 -6.442 -8.364 1.00 0.00 O ATOM 0 H TYR A 103 -35.164 -1.550 -3.952 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.833 -3.699 -2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.905 -3.287 -3.628 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.421 -4.717 -2.756 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.761 -2.878 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -35.568 -6.514 -3.886 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -35.354 -3.956 -8.084 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -36.157 -7.595 -6.012 1.00 0.00 H new ATOM 0 HH TYR A 103 -36.382 -7.374 -8.199 1.00 0.00 H new ATOM 1391 N SER A 104 -35.425 -4.108 -0.657 1.00 0.00 N ATOM 1392 CA SER A 104 -35.153 -4.088 0.773 1.00 0.00 C ATOM 1393 C SER A 104 -33.716 -4.513 1.040 1.00 0.00 C ATOM 1394 O SER A 104 -33.367 -5.686 0.899 1.00 0.00 O ATOM 1395 CB SER A 104 -36.121 -5.007 1.519 1.00 0.00 C ATOM 1396 OG SER A 104 -37.261 -4.293 1.963 1.00 0.00 O ATOM 0 H SER A 104 -35.422 -5.039 -1.074 1.00 0.00 H new ATOM 0 HA SER A 104 -35.294 -3.070 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 104 -36.430 -5.822 0.865 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.615 -5.458 2.373 1.00 0.00 H new ATOM 0 HG SER A 104 -37.865 -4.903 2.435 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.882 -3.548 1.405 1.00 0.00 N ATOM 1403 CA LEU A 105 -31.476 -3.808 1.654 1.00 0.00 C ATOM 1404 C LEU A 105 -31.280 -5.010 2.556 1.00 0.00 C ATOM 1405 O LEU A 105 -31.909 -5.135 3.607 1.00 0.00 O ATOM 1406 CB LEU A 105 -30.792 -2.590 2.257 1.00 0.00 C ATOM 1407 CG LEU A 105 -29.408 -2.309 1.677 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.472 -1.154 0.695 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -28.407 -2.030 2.782 1.00 0.00 C ATOM 0 H LEU A 105 -33.160 -2.575 1.535 1.00 0.00 H new ATOM 0 HA LEU A 105 -31.018 -4.027 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -31.425 -1.716 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.702 -2.732 3.334 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.072 -3.196 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.478 -0.965 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -30.154 -1.405 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.831 -0.261 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.428 -1.833 2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -28.730 -1.161 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -28.342 -2.896 3.441 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.397 -5.888 2.124 1.00 0.00 N ATOM 1422 CA ILE A 106 -30.073 -7.088 2.872 1.00 0.00 C ATOM 1423 C ILE A 106 -28.802 -6.873 3.688 1.00 0.00 C ATOM 1424 O ILE A 106 -27.984 -6.021 3.357 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.892 -8.289 1.922 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.213 -8.609 1.222 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.381 -9.510 2.673 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.295 -9.083 2.165 1.00 0.00 C ATOM 0 H ILE A 106 -29.885 -5.791 1.247 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.899 -7.303 3.550 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.148 -8.021 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.563 -7.719 0.698 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.039 -9.375 0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.263 -10.341 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.419 -9.280 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -30.095 -9.785 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.204 -9.292 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -31.965 -9.991 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.497 -8.309 2.905 1.00 0.00 H new ATOM 1440 N GLY A 107 -28.648 -7.640 4.758 1.00 0.00 N ATOM 1441 CA GLY A 107 -27.476 -7.500 5.600 1.00 0.00 C ATOM 1442 C GLY A 107 -27.418 -6.150 6.286 1.00 0.00 C ATOM 1443 O GLY A 107 -28.391 -5.716 6.903 1.00 0.00 O ATOM 0 H GLY A 107 -29.311 -8.355 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -27.476 -8.288 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -26.579 -7.637 4.996 1.00 0.00 H new ATOM 1447 N ASN A 108 -26.277 -5.484 6.171 1.00 0.00 N ATOM 1448 CA ASN A 108 -26.088 -4.175 6.788 1.00 0.00 C ATOM 1449 C ASN A 108 -25.747 -3.116 5.743 1.00 0.00 C ATOM 1450 O ASN A 108 -24.843 -3.302 4.929 1.00 0.00 O ATOM 1451 CB ASN A 108 -24.979 -4.240 7.839 1.00 0.00 C ATOM 1452 CG ASN A 108 -25.129 -5.430 8.767 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -26.335 -5.627 9.285 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 -24.172 -6.162 9.015 1.00 0.00 N flip ATOM 0 H ASN A 108 -25.467 -5.828 5.656 1.00 0.00 H new ATOM 0 HA ASN A 108 -27.025 -3.894 7.269 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -24.012 -4.292 7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -24.985 -3.322 8.426 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -23.262 -5.973 8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -24.288 -6.958 9.642 1.00 0.00 H new ATOM 1461 N SER A 109 -26.469 -2.000 5.781 1.00 0.00 N ATOM 1462 CA SER A 109 -26.239 -0.906 4.849 1.00 0.00 C ATOM 1463 C SER A 109 -24.829 -0.351 5.003 1.00 0.00 C ATOM 1464 O SER A 109 -24.217 0.102 4.035 1.00 0.00 O ATOM 1465 CB SER A 109 -27.271 0.198 5.083 1.00 0.00 C ATOM 1466 OG SER A 109 -26.780 1.184 5.973 1.00 0.00 O ATOM 0 H SER A 109 -27.220 -1.831 6.450 1.00 0.00 H new ATOM 0 HA SER A 109 -26.345 -1.286 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 109 -27.532 0.662 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 109 -28.185 -0.236 5.487 1.00 0.00 H new ATOM 0 HG SER A 109 -27.509 1.788 6.227 1.00 0.00 H new ATOM 1472 N GLY A 110 -24.318 -0.399 6.225 1.00 0.00 N ATOM 1473 CA GLY A 110 -22.988 0.107 6.498 1.00 0.00 C ATOM 1474 C GLY A 110 -21.895 -0.770 5.921 1.00 0.00 C ATOM 1475 O GLY A 110 -21.936 -1.994 6.050 1.00 0.00 O ATOM 0 H GLY A 110 -24.804 -0.781 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.895 1.112 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.850 0.189 7.576 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.910 -0.140 5.289 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.787 -0.860 4.702 1.00 0.00 C ATOM 1481 C VAL A 111 -18.467 -0.236 5.127 1.00 0.00 C ATOM 1482 O VAL A 111 -18.212 0.936 4.856 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.858 -0.867 3.170 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.932 -1.928 2.596 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -21.288 -1.080 2.699 1.00 0.00 C ATOM 0 H VAL A 111 -20.868 0.872 5.170 1.00 0.00 H new ATOM 0 HA VAL A 111 -19.845 -1.887 5.063 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.525 0.105 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.997 -1.917 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.906 -1.719 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -19.228 -2.909 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.316 -1.082 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.656 -2.036 3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.919 -0.276 3.077 1.00 0.00 H new ATOM 1495 N LEU A 112 -17.630 -1.021 5.793 1.00 0.00 N ATOM 1496 CA LEU A 112 -16.340 -0.533 6.265 1.00 0.00 C ATOM 1497 C LEU A 112 -15.295 -0.570 5.156 1.00 0.00 C ATOM 1498 O LEU A 112 -15.164 -1.566 4.445 1.00 0.00 O ATOM 1499 CB LEU A 112 -15.859 -1.370 7.453 1.00 0.00 C ATOM 1500 CG LEU A 112 -14.406 -1.144 7.874 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -13.487 -1.957 6.989 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -14.042 0.334 7.822 1.00 0.00 C ATOM 0 H LEU A 112 -17.821 -1.997 6.019 1.00 0.00 H new ATOM 0 HA LEU A 112 -16.471 0.502 6.580 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -16.503 -1.160 8.307 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.988 -2.424 7.208 1.00 0.00 H new ATOM 0 HG LEU A 112 -14.287 -1.473 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -12.453 -1.794 7.291 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -13.731 -3.015 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -13.615 -1.649 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -13.003 0.464 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -14.171 0.705 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.691 0.892 8.497 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.542 0.517 5.028 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.477 0.598 4.037 1.00 0.00 C ATOM 1516 C CYS A 113 -12.119 0.461 4.715 1.00 0.00 C ATOM 1517 O CYS A 113 -11.634 1.405 5.341 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.543 1.927 3.286 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.223 2.152 2.051 1.00 0.00 S ATOM 0 H CYS A 113 -14.650 1.355 5.599 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.608 -0.216 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.509 2.002 2.787 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.493 2.742 4.008 1.00 0.00 H new ATOM 1524 N SER A 114 -11.517 -0.718 4.610 1.00 0.00 N ATOM 1525 CA SER A 114 -10.229 -0.970 5.248 1.00 0.00 C ATOM 1526 C SER A 114 -9.266 -1.701 4.319 1.00 0.00 C ATOM 1527 O SER A 114 -9.469 -2.871 3.995 1.00 0.00 O ATOM 1528 CB SER A 114 -10.426 -1.782 6.526 1.00 0.00 C ATOM 1529 OG SER A 114 -10.801 -0.949 7.609 1.00 0.00 O ATOM 0 H SER A 114 -11.897 -1.511 4.092 1.00 0.00 H new ATOM 0 HA SER A 114 -9.790 -0.002 5.490 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.193 -2.540 6.364 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.504 -2.309 6.771 1.00 0.00 H new ATOM 0 HG SER A 114 -10.845 -1.481 8.431 1.00 0.00 H new ATOM 1535 N GLY A 115 -8.194 -1.017 3.924 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.192 -1.634 3.072 1.00 0.00 C ATOM 1537 C GLY A 115 -7.576 -1.628 1.606 1.00 0.00 C ATOM 1538 O GLY A 115 -7.424 -2.635 0.914 1.00 0.00 O ATOM 0 H GLY A 115 -8.002 -0.048 4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.245 -1.109 3.196 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.031 -2.662 3.396 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.064 -0.491 1.129 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.451 -0.378 -0.265 1.00 0.00 C ATOM 1544 C GLY A 116 -9.595 -1.304 -0.634 1.00 0.00 C ATOM 1545 O GLY A 116 -9.883 -1.500 -1.815 1.00 0.00 O ATOM 0 H GLY A 116 -8.199 0.356 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.741 0.652 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.591 -0.602 -0.896 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.249 -1.875 0.372 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.365 -2.774 0.141 1.00 0.00 C ATOM 1551 C GLU A 117 -12.521 -2.445 1.073 1.00 0.00 C ATOM 1552 O GLU A 117 -12.398 -1.606 1.965 1.00 0.00 O ATOM 1553 CB GLU A 117 -10.930 -4.226 0.342 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.431 -4.523 1.747 1.00 0.00 C ATOM 1555 CD GLU A 117 -9.804 -5.899 1.864 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -10.473 -6.813 2.391 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -8.644 -6.062 1.430 1.00 0.00 O ATOM 0 H GLU A 117 -10.022 -1.728 1.356 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.699 -2.644 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -11.771 -4.883 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.141 -4.462 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.699 -3.769 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.262 -4.446 2.448 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.640 -3.119 0.862 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.830 -2.901 1.666 1.00 0.00 C ATOM 1566 C TRP A 118 -15.267 -4.190 2.351 1.00 0.00 C ATOM 1567 O TRP A 118 -14.943 -5.286 1.895 1.00 0.00 O ATOM 1568 CB TRP A 118 -15.954 -2.373 0.780 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.692 -0.998 0.253 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.066 -0.675 -0.916 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.039 0.242 0.879 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.009 0.689 -1.060 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.599 1.274 0.030 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.682 0.579 2.073 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.781 2.619 0.338 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -16.867 1.915 2.375 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -16.413 2.921 1.513 1.00 0.00 C ATOM 0 H TRP A 118 -13.748 -3.826 0.135 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.599 -2.168 2.439 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.098 -3.055 -0.058 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.884 -2.366 1.349 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -14.673 -1.389 -1.625 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -14.595 1.186 -1.849 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.028 -0.190 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.436 3.397 -0.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.370 2.188 3.291 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -16.565 3.956 1.781 1.00 0.00 H new ATOM 1588 N SER A 119 -16.002 -4.053 3.449 1.00 0.00 N ATOM 1589 CA SER A 119 -16.475 -5.212 4.194 1.00 0.00 C ATOM 1590 C SER A 119 -17.922 -5.034 4.638 1.00 0.00 C ATOM 1591 O SER A 119 -18.380 -3.916 4.878 1.00 0.00 O ATOM 1592 CB SER A 119 -15.588 -5.461 5.411 1.00 0.00 C ATOM 1593 OG SER A 119 -14.474 -4.584 5.422 1.00 0.00 O ATOM 0 H SER A 119 -16.282 -3.154 3.841 1.00 0.00 H new ATOM 0 HA SER A 119 -16.425 -6.075 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 119 -16.170 -5.325 6.322 1.00 0.00 H new ATOM 0 HB3 SER A 119 -15.241 -6.494 5.406 1.00 0.00 H new ATOM 0 HG SER A 119 -13.774 -4.952 6.000 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.632 -6.150 4.745 1.00 0.00 N ATOM 1600 CA ASP A 120 -20.025 -6.141 5.177 1.00 0.00 C ATOM 1601 C ASP A 120 -20.933 -5.462 4.151 1.00 0.00 C ATOM 1602 O ASP A 120 -21.779 -4.643 4.510 1.00 0.00 O ATOM 1603 CB ASP A 120 -20.150 -5.432 6.527 1.00 0.00 C ATOM 1604 CG ASP A 120 -20.913 -6.256 7.545 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -21.567 -5.656 8.424 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -20.857 -7.501 7.463 1.00 0.00 O ATOM 0 H ASP A 120 -18.264 -7.078 4.537 1.00 0.00 H new ATOM 0 HA ASP A 120 -20.347 -7.178 5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -19.154 -5.214 6.913 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -20.654 -4.476 6.387 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.792 -5.811 2.859 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.627 -5.245 1.798 1.00 0.00 C ATOM 1613 C PRO A 121 -23.015 -5.885 1.771 1.00 0.00 C ATOM 1614 O PRO A 121 -23.142 -7.106 1.858 1.00 0.00 O ATOM 1615 CB PRO A 121 -20.851 -5.589 0.529 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.143 -6.858 0.862 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.822 -6.791 2.334 1.00 0.00 C ATOM 0 HA PRO A 121 -21.804 -4.177 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -21.519 -5.718 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.148 -4.799 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -20.769 -7.722 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -19.234 -6.962 0.270 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.936 -7.763 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.795 -6.469 2.506 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.079 -5.070 1.666 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.450 -5.565 1.667 1.00 0.00 C ATOM 1627 C PRO A 122 -25.963 -5.927 0.285 1.00 0.00 C ATOM 1628 O PRO A 122 -25.229 -5.893 -0.702 1.00 0.00 O ATOM 1629 CB PRO A 122 -26.240 -4.385 2.218 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.453 -3.169 1.847 1.00 0.00 C ATOM 1631 CD PRO A 122 -24.033 -3.603 1.578 1.00 0.00 C ATOM 0 HA PRO A 122 -25.538 -6.485 2.244 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -27.242 -4.350 1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -26.357 -4.462 3.299 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.880 -2.692 0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -25.482 -2.435 2.652 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.696 -3.274 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -23.343 -3.182 2.309 1.00 0.00 H new ATOM 1639 N THR A 123 -27.242 -6.267 0.235 1.00 0.00 N ATOM 1640 CA THR A 123 -27.906 -6.611 -1.015 1.00 0.00 C ATOM 1641 C THR A 123 -29.206 -5.832 -1.146 1.00 0.00 C ATOM 1642 O THR A 123 -29.384 -4.801 -0.501 1.00 0.00 O ATOM 1643 CB THR A 123 -28.182 -8.116 -1.083 1.00 0.00 C ATOM 1644 OG1 THR A 123 -27.515 -8.795 -0.034 1.00 0.00 O ATOM 1645 CG2 THR A 123 -27.747 -8.745 -2.389 1.00 0.00 C ATOM 0 H THR A 123 -27.847 -6.312 1.055 1.00 0.00 H new ATOM 0 HA THR A 123 -27.248 -6.345 -1.842 1.00 0.00 H new ATOM 0 HB THR A 123 -29.264 -8.217 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 123 -27.705 -9.755 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 123 -27.971 -9.812 -2.371 1.00 0.00 H new ATOM 0 HG22 THR A 123 -28.282 -8.276 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 123 -26.675 -8.601 -2.523 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.110 -6.322 -1.982 1.00 0.00 N ATOM 1654 CA CYS A 124 -31.393 -5.666 -2.171 1.00 0.00 C ATOM 1655 C CYS A 124 -32.422 -6.634 -2.728 1.00 0.00 C ATOM 1656 O CYS A 124 -32.558 -6.788 -3.941 1.00 0.00 O ATOM 1657 CB CYS A 124 -31.247 -4.461 -3.099 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.718 -2.937 -2.252 1.00 0.00 S ATOM 0 H CYS A 124 -29.979 -7.168 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 124 -31.740 -5.320 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.525 -4.701 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -32.201 -4.278 -3.593 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.143 -7.283 -1.828 1.00 0.00 N ATOM 1664 CA GLN A 125 -34.163 -8.241 -2.212 1.00 0.00 C ATOM 1665 C GLN A 125 -35.522 -7.834 -1.667 1.00 0.00 C ATOM 1666 O GLN A 125 -35.617 -7.074 -0.704 1.00 0.00 O ATOM 1667 CB GLN A 125 -33.796 -9.633 -1.703 1.00 0.00 C ATOM 1668 CG GLN A 125 -32.864 -10.391 -2.631 1.00 0.00 C ATOM 1669 CD GLN A 125 -31.954 -11.350 -1.889 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -32.394 -12.077 -0.998 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -30.678 -11.357 -2.253 1.00 0.00 N ATOM 0 H GLN A 125 -33.038 -7.161 -0.821 1.00 0.00 H new ATOM 0 HA GLN A 125 -34.219 -8.260 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -33.325 -9.541 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -34.709 -10.213 -1.565 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -33.455 -10.947 -3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -32.257 -9.679 -3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -30.356 -10.737 -2.997 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -30.019 -11.982 -1.789 1.00 0.00 H new ATOM 1680 N ILE A 126 -36.571 -8.350 -2.288 1.00 0.00 N ATOM 1681 CA ILE A 126 -37.933 -8.046 -1.872 1.00 0.00 C ATOM 1682 C ILE A 126 -38.378 -8.962 -0.737 1.00 0.00 C ATOM 1683 O ILE A 126 -39.143 -9.903 -0.949 1.00 0.00 O ATOM 1684 CB ILE A 126 -38.919 -8.177 -3.046 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -38.491 -7.268 -4.197 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.332 -7.842 -2.597 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -38.709 -5.797 -3.919 1.00 0.00 C ATOM 0 H ILE A 126 -36.506 -8.984 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 126 -37.936 -7.014 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 126 -38.909 -9.209 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -37.435 -7.437 -4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -39.045 -7.546 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -41.015 -7.940 -3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -40.634 -8.527 -1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.362 -6.818 -2.223 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -38.383 -5.212 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -39.768 -5.614 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.133 -5.503 -3.041 1.00 0.00 H new