USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 60 ASN : amide:sc= -3.58! K(o=-4!,f=0.067) USER MOD Set 1.2: A 79 SER OG : rot 79:sc= -0.385 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -175:sc= 1.24 (180deg=0.00615) USER MOD Set 2.2: A 21 TYR OH : rot -158:sc= 0.796 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.033 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot -100:sc= -0.954 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 118:sc= -1.91 USER MOD Single : A 36 MET CE :methyl -142:sc= 0 (180deg=-0.895) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.7) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-0.16) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -2.18 K(o=-2.2,f=-5.9!) USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= -0.584 (180deg=-3.46!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -118:sc= -0.329 (180deg=-0.777) USER MOD Single : A 81 SER OG : rot 180:sc= -0.993 USER MOD Single : A 84 MET CE :methyl -165:sc= -0.132 (180deg=-0.624) USER MOD Single : A 90 LYS NZ :NH3+ 138:sc= -1.54 (180deg=-2.7!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc=-9.08e-06 X(o=-9.1e-06,f=-0.13) USER MOD Single : A 99 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.56) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 9:sc= 0.0385 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.055 -16.867 -29.281 1.00 0.00 N ATOM 2 CA GLY A 1 -3.797 -16.209 -28.014 1.00 0.00 C ATOM 3 C GLY A 1 -2.453 -16.589 -27.427 1.00 0.00 C ATOM 4 O GLY A 1 -1.524 -16.936 -28.156 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.403 -16.170 -29.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.176 -17.295 -29.635 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.771 -17.609 -29.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.836 -15.129 -28.154 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.585 -16.467 -27.307 1.00 0.00 H new ATOM 8 N SER A 2 -2.347 -16.522 -26.103 1.00 0.00 N ATOM 9 CA SER A 2 -1.104 -16.857 -25.418 1.00 0.00 C ATOM 10 C SER A 2 -1.332 -17.958 -24.386 1.00 0.00 C ATOM 11 O SER A 2 -2.409 -18.060 -23.799 1.00 0.00 O ATOM 12 CB SER A 2 -0.522 -15.617 -24.737 1.00 0.00 C ATOM 13 OG SER A 2 0.785 -15.868 -24.252 1.00 0.00 O ATOM 0 H SER A 2 -3.107 -16.239 -25.484 1.00 0.00 H new ATOM 0 HA SER A 2 -0.395 -17.221 -26.162 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.498 -14.788 -25.444 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.167 -15.314 -23.912 1.00 0.00 H new ATOM 0 HG SER A 2 1.135 -15.060 -23.823 1.00 0.00 H new ATOM 19 N SER A 3 -0.310 -18.779 -24.171 1.00 0.00 N ATOM 20 CA SER A 3 -0.399 -19.875 -23.213 1.00 0.00 C ATOM 21 C SER A 3 -0.861 -19.369 -21.850 1.00 0.00 C ATOM 22 O SER A 3 -0.101 -18.732 -21.122 1.00 0.00 O ATOM 23 CB SER A 3 0.955 -20.574 -23.078 1.00 0.00 C ATOM 24 OG SER A 3 0.840 -21.769 -22.325 1.00 0.00 O ATOM 0 H SER A 3 0.589 -18.706 -24.647 1.00 0.00 H new ATOM 0 HA SER A 3 -1.133 -20.590 -23.584 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.351 -20.801 -24.068 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.667 -19.904 -22.596 1.00 0.00 H new ATOM 0 HG SER A 3 1.719 -22.197 -22.255 1.00 0.00 H new ATOM 30 N GLY A 4 -2.114 -19.659 -21.511 1.00 0.00 N ATOM 31 CA GLY A 4 -2.657 -19.227 -20.237 1.00 0.00 C ATOM 32 C GLY A 4 -3.459 -17.946 -20.353 1.00 0.00 C ATOM 33 O GLY A 4 -3.299 -17.190 -21.311 1.00 0.00 O ATOM 0 H GLY A 4 -2.762 -20.186 -22.097 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.292 -20.014 -19.831 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.841 -19.079 -19.529 1.00 0.00 H new ATOM 37 N SER A 5 -4.327 -17.703 -19.376 1.00 0.00 N ATOM 38 CA SER A 5 -5.162 -16.507 -19.376 1.00 0.00 C ATOM 39 C SER A 5 -4.401 -15.313 -18.809 1.00 0.00 C ATOM 40 O SER A 5 -3.528 -15.468 -17.955 1.00 0.00 O ATOM 41 CB SER A 5 -6.435 -16.748 -18.562 1.00 0.00 C ATOM 42 OG SER A 5 -6.185 -16.614 -17.174 1.00 0.00 O ATOM 0 H SER A 5 -4.470 -18.318 -18.575 1.00 0.00 H new ATOM 0 HA SER A 5 -5.435 -16.285 -20.408 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.205 -16.039 -18.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.821 -17.746 -18.771 1.00 0.00 H new ATOM 0 HG SER A 5 -7.014 -16.771 -16.676 1.00 0.00 H new ATOM 48 N SER A 6 -4.739 -14.121 -19.291 1.00 0.00 N ATOM 49 CA SER A 6 -4.085 -12.899 -18.835 1.00 0.00 C ATOM 50 C SER A 6 -4.665 -12.438 -17.502 1.00 0.00 C ATOM 51 O SER A 6 -5.850 -12.626 -17.229 1.00 0.00 O ATOM 52 CB SER A 6 -4.239 -11.793 -19.881 1.00 0.00 C ATOM 53 OG SER A 6 -3.201 -11.856 -20.845 1.00 0.00 O ATOM 0 H SER A 6 -5.461 -13.975 -19.996 1.00 0.00 H new ATOM 0 HA SER A 6 -3.025 -13.113 -18.696 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.206 -11.888 -20.376 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.226 -10.820 -19.391 1.00 0.00 H new ATOM 0 HG SER A 6 -3.322 -11.140 -21.503 1.00 0.00 H new ATOM 59 N GLY A 7 -3.820 -11.831 -16.674 1.00 0.00 N ATOM 60 CA GLY A 7 -4.265 -11.351 -15.379 1.00 0.00 C ATOM 61 C GLY A 7 -3.111 -10.973 -14.472 1.00 0.00 C ATOM 62 O GLY A 7 -3.133 -11.263 -13.276 1.00 0.00 O ATOM 0 H GLY A 7 -2.835 -11.663 -16.877 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.912 -10.485 -15.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.865 -12.122 -14.896 1.00 0.00 H new ATOM 66 N GLN A 8 -2.100 -10.326 -15.042 1.00 0.00 N ATOM 67 CA GLN A 8 -0.930 -9.910 -14.277 1.00 0.00 C ATOM 68 C GLN A 8 -1.290 -8.803 -13.291 1.00 0.00 C ATOM 69 O GLN A 8 -2.240 -8.046 -13.491 1.00 0.00 O ATOM 70 CB GLN A 8 0.177 -9.432 -15.217 1.00 0.00 C ATOM 71 CG GLN A 8 -0.132 -8.109 -15.898 1.00 0.00 C ATOM 72 CD GLN A 8 0.878 -7.756 -16.973 1.00 0.00 C ATOM 73 OE1 GLN A 8 1.837 -7.026 -16.723 1.00 0.00 O ATOM 74 NE2 GLN A 8 0.666 -8.273 -18.177 1.00 0.00 N ATOM 0 H GLN A 8 -2.067 -10.078 -16.031 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.571 -10.771 -13.713 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.104 -9.332 -14.652 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.348 -10.192 -15.979 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.127 -8.156 -16.341 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.153 -7.316 -15.150 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.142 -8.873 -18.339 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.312 -8.070 -18.940 1.00 0.00 H new ATOM 83 N PRO A 9 -0.514 -8.705 -12.202 1.00 0.00 N ATOM 84 CA PRO A 9 -0.732 -7.694 -11.164 1.00 0.00 C ATOM 85 C PRO A 9 -0.400 -6.286 -11.647 1.00 0.00 C ATOM 86 O PRO A 9 -0.004 -6.092 -12.797 1.00 0.00 O ATOM 87 CB PRO A 9 0.229 -8.117 -10.049 1.00 0.00 C ATOM 88 CG PRO A 9 1.302 -8.880 -10.744 1.00 0.00 C ATOM 89 CD PRO A 9 0.636 -9.574 -11.900 1.00 0.00 C ATOM 0 HA PRO A 9 -1.775 -7.649 -10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.634 -7.251 -9.526 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.275 -8.732 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.092 -8.214 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.766 -9.601 -10.071 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.306 -9.665 -12.755 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.319 -10.583 -11.635 1.00 0.00 H new ATOM 97 N ARG A 10 -0.562 -5.308 -10.762 1.00 0.00 N ATOM 98 CA ARG A 10 -0.279 -3.918 -11.100 1.00 0.00 C ATOM 99 C ARG A 10 0.911 -3.395 -10.301 1.00 0.00 C ATOM 100 O ARG A 10 0.993 -3.592 -9.088 1.00 0.00 O ATOM 101 CB ARG A 10 -1.508 -3.046 -10.833 1.00 0.00 C ATOM 102 CG ARG A 10 -1.446 -1.684 -11.503 1.00 0.00 C ATOM 103 CD ARG A 10 -2.726 -0.894 -11.281 1.00 0.00 C ATOM 104 NE ARG A 10 -3.839 -1.424 -12.064 1.00 0.00 N ATOM 105 CZ ARG A 10 -5.013 -0.813 -12.180 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.225 0.344 -11.567 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.977 -1.358 -12.911 1.00 0.00 N ATOM 0 H ARG A 10 -0.887 -5.452 -9.806 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.031 -3.872 -12.160 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.398 -3.572 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.618 -2.908 -9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.598 -1.123 -11.110 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.277 -1.811 -12.572 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.985 -0.914 -10.223 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.559 0.149 -11.548 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.708 -2.312 -12.548 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.486 0.766 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.127 0.811 -11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.817 -2.247 -13.385 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.878 -0.888 -12.999 1.00 0.00 H new ATOM 121 N LEU A 11 1.832 -2.730 -10.989 1.00 0.00 N ATOM 122 CA LEU A 11 3.019 -2.179 -10.344 1.00 0.00 C ATOM 123 C LEU A 11 2.781 -0.738 -9.906 1.00 0.00 C ATOM 124 O LEU A 11 2.564 0.146 -10.735 1.00 0.00 O ATOM 125 CB LEU A 11 4.216 -2.244 -11.295 1.00 0.00 C ATOM 126 CG LEU A 11 5.584 -1.965 -10.671 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.724 -0.490 -10.328 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.791 -2.824 -9.432 1.00 0.00 C ATOM 0 H LEU A 11 1.780 -2.559 -11.993 1.00 0.00 H new ATOM 0 HA LEU A 11 3.233 -2.778 -9.459 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.241 -3.235 -11.749 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.054 -1.528 -12.101 1.00 0.00 H new ATOM 0 HG LEU A 11 6.353 -2.222 -11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.704 -0.311 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.621 0.106 -11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.947 -0.206 -9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.770 -2.612 -9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.016 -2.599 -8.699 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.736 -3.877 -9.706 1.00 0.00 H new ATOM 140 N CYS A 12 2.826 -0.508 -8.598 1.00 0.00 N ATOM 141 CA CYS A 12 2.616 0.827 -8.048 1.00 0.00 C ATOM 142 C CYS A 12 3.941 1.457 -7.632 1.00 0.00 C ATOM 143 O CYS A 12 4.456 1.185 -6.546 1.00 0.00 O ATOM 144 CB CYS A 12 1.668 0.765 -6.850 1.00 0.00 C ATOM 145 SG CYS A 12 0.188 -0.235 -7.132 1.00 0.00 S ATOM 0 H CYS A 12 3.006 -1.228 -7.899 1.00 0.00 H new ATOM 0 HA CYS A 12 2.167 1.447 -8.824 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.208 0.362 -5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.364 1.778 -6.588 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.815 0.544 -7.409 1.00 0.00 H new ATOM 151 N TYR A 13 4.489 2.298 -8.501 1.00 0.00 N ATOM 152 CA TYR A 13 5.757 2.964 -8.225 1.00 0.00 C ATOM 153 C TYR A 13 5.546 4.198 -7.353 1.00 0.00 C ATOM 154 O TYR A 13 5.113 5.246 -7.833 1.00 0.00 O ATOM 155 CB TYR A 13 6.443 3.363 -9.533 1.00 0.00 C ATOM 156 CG TYR A 13 7.952 3.297 -9.470 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.621 2.087 -9.614 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.710 4.443 -9.264 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.999 2.022 -9.557 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.089 4.387 -9.206 1.00 0.00 C ATOM 161 CZ TYR A 13 10.729 3.174 -9.353 1.00 0.00 C ATOM 162 OH TYR A 13 12.102 3.114 -9.294 1.00 0.00 O ATOM 0 H TYR A 13 4.076 2.535 -9.403 1.00 0.00 H new ATOM 0 HA TYR A 13 6.395 2.264 -7.686 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.092 2.709 -10.332 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.143 4.377 -9.796 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.053 1.182 -9.773 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.212 5.394 -9.147 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.503 1.074 -9.672 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.663 5.288 -9.046 1.00 0.00 H new ATOM 0 HH TYR A 13 12.463 4.013 -9.146 1.00 0.00 H new ATOM 172 N LEU A 14 5.855 4.065 -6.067 1.00 0.00 N ATOM 173 CA LEU A 14 5.700 5.168 -5.125 1.00 0.00 C ATOM 174 C LEU A 14 6.949 6.044 -5.103 1.00 0.00 C ATOM 175 O LEU A 14 8.068 5.552 -5.250 1.00 0.00 O ATOM 176 CB LEU A 14 5.415 4.630 -3.722 1.00 0.00 C ATOM 177 CG LEU A 14 3.942 4.429 -3.367 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.299 5.753 -2.984 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.196 3.788 -4.528 1.00 0.00 C ATOM 0 H LEU A 14 6.214 3.205 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 14 4.857 5.777 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.929 3.675 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.853 5.315 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 14 3.884 3.759 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.251 5.590 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.816 6.172 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.369 6.447 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.149 3.652 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.264 4.433 -5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.640 2.819 -4.755 1.00 0.00 H new ATOM 191 N VAL A 15 6.750 7.345 -4.915 1.00 0.00 N ATOM 192 CA VAL A 15 7.860 8.289 -4.870 1.00 0.00 C ATOM 193 C VAL A 15 7.636 9.348 -3.796 1.00 0.00 C ATOM 194 O VAL A 15 6.589 9.994 -3.754 1.00 0.00 O ATOM 195 CB VAL A 15 8.060 8.986 -6.229 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.249 9.932 -6.174 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.238 7.955 -7.334 1.00 0.00 C ATOM 0 H VAL A 15 5.831 7.769 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 15 8.755 7.715 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 15 7.170 9.574 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.375 10.415 -7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.076 10.690 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.150 9.370 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.378 8.464 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.111 7.339 -7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.352 7.322 -7.387 1.00 0.00 H new ATOM 207 N LYS A 16 8.628 9.523 -2.930 1.00 0.00 N ATOM 208 CA LYS A 16 8.542 10.505 -1.856 1.00 0.00 C ATOM 209 C LYS A 16 8.271 11.899 -2.413 1.00 0.00 C ATOM 210 O LYS A 16 9.183 12.574 -2.888 1.00 0.00 O ATOM 211 CB LYS A 16 9.837 10.513 -1.040 1.00 0.00 C ATOM 212 CG LYS A 16 9.825 9.543 0.129 1.00 0.00 C ATOM 213 CD LYS A 16 10.996 9.786 1.067 1.00 0.00 C ATOM 214 CE LYS A 16 10.985 8.813 2.236 1.00 0.00 C ATOM 215 NZ LYS A 16 11.404 7.445 1.823 1.00 0.00 N ATOM 0 H LYS A 16 9.502 8.997 -2.951 1.00 0.00 H new ATOM 0 HA LYS A 16 7.712 10.225 -1.207 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.672 10.268 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.013 11.521 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.890 9.646 0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.864 8.520 -0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.931 9.685 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.956 10.808 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.652 9.177 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.984 8.772 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.302 6.793 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.805 7.121 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.398 7.464 1.516 1.00 0.00 H new ATOM 229 N GLU A 17 7.013 12.322 -2.351 1.00 0.00 N ATOM 230 CA GLU A 17 6.624 13.636 -2.850 1.00 0.00 C ATOM 231 C GLU A 17 6.620 14.666 -1.724 1.00 0.00 C ATOM 232 O GLU A 17 7.328 15.670 -1.784 1.00 0.00 O ATOM 233 CB GLU A 17 5.240 13.570 -3.500 1.00 0.00 C ATOM 234 CG GLU A 17 4.869 14.826 -4.270 1.00 0.00 C ATOM 235 CD GLU A 17 4.965 16.080 -3.423 1.00 0.00 C ATOM 236 OE1 GLU A 17 4.052 16.314 -2.603 1.00 0.00 O ATOM 237 OE2 GLU A 17 5.953 16.827 -3.580 1.00 0.00 O ATOM 0 H GLU A 17 6.246 11.775 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 17 7.355 13.943 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.206 12.716 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.493 13.394 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.526 14.925 -5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.853 14.727 -4.651 1.00 0.00 H new ATOM 244 N GLY A 18 5.817 14.409 -0.696 1.00 0.00 N ATOM 245 CA GLY A 18 5.735 15.322 0.429 1.00 0.00 C ATOM 246 C GLY A 18 5.832 14.609 1.763 1.00 0.00 C ATOM 247 O GLY A 18 4.985 13.781 2.095 1.00 0.00 O ATOM 0 H GLY A 18 5.221 13.584 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.536 16.058 0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.794 15.869 0.381 1.00 0.00 H new ATOM 251 N GLY A 19 6.869 14.930 2.530 1.00 0.00 N ATOM 252 CA GLY A 19 7.056 14.304 3.825 1.00 0.00 C ATOM 253 C GLY A 19 6.907 12.797 3.768 1.00 0.00 C ATOM 254 O GLY A 19 7.818 12.092 3.333 1.00 0.00 O ATOM 0 H GLY A 19 7.583 15.613 2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.046 14.554 4.206 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.331 14.711 4.530 1.00 0.00 H new ATOM 258 N SER A 20 5.756 12.300 4.209 1.00 0.00 N ATOM 259 CA SER A 20 5.492 10.866 4.211 1.00 0.00 C ATOM 260 C SER A 20 4.554 10.484 3.070 1.00 0.00 C ATOM 261 O SER A 20 3.656 11.245 2.709 1.00 0.00 O ATOM 262 CB SER A 20 4.886 10.439 5.549 1.00 0.00 C ATOM 263 OG SER A 20 5.185 9.083 5.834 1.00 0.00 O ATOM 0 H SER A 20 4.991 12.870 4.570 1.00 0.00 H new ATOM 0 HA SER A 20 6.440 10.347 4.068 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.271 11.075 6.346 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.805 10.579 5.524 1.00 0.00 H new ATOM 0 HG SER A 20 4.788 8.835 6.695 1.00 0.00 H new ATOM 269 N TYR A 21 4.770 9.301 2.506 1.00 0.00 N ATOM 270 CA TYR A 21 3.946 8.818 1.404 1.00 0.00 C ATOM 271 C TYR A 21 2.464 9.020 1.703 1.00 0.00 C ATOM 272 O TYR A 21 2.089 9.414 2.806 1.00 0.00 O ATOM 273 CB TYR A 21 4.228 7.338 1.140 1.00 0.00 C ATOM 274 CG TYR A 21 5.681 7.041 0.846 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.589 6.828 1.876 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.146 6.972 -0.461 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.918 6.557 1.613 1.00 0.00 C ATOM 278 CE2 TYR A 21 7.473 6.701 -0.734 1.00 0.00 C ATOM 279 CZ TYR A 21 8.355 6.495 0.306 1.00 0.00 C ATOM 280 OH TYR A 21 9.677 6.224 0.039 1.00 0.00 O ATOM 0 H TYR A 21 5.508 8.659 2.794 1.00 0.00 H new ATOM 0 HA TYR A 21 4.200 9.394 0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.916 6.757 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.620 7.006 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.250 6.875 2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.458 7.133 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.611 6.395 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 21 7.818 6.651 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 21 9.903 6.550 -0.857 1.00 0.00 H new ATOM 290 N GLY A 22 1.624 8.745 0.710 1.00 0.00 N ATOM 291 CA GLY A 22 0.191 8.901 0.885 1.00 0.00 C ATOM 292 C GLY A 22 -0.517 7.575 1.079 1.00 0.00 C ATOM 293 O GLY A 22 -1.613 7.366 0.558 1.00 0.00 O ATOM 0 H GLY A 22 1.910 8.417 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.001 9.540 1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.225 9.408 0.014 1.00 0.00 H new ATOM 297 N PHE A 23 0.110 6.675 1.829 1.00 0.00 N ATOM 298 CA PHE A 23 -0.466 5.361 2.088 1.00 0.00 C ATOM 299 C PHE A 23 -0.124 4.886 3.498 1.00 0.00 C ATOM 300 O PHE A 23 0.917 5.243 4.049 1.00 0.00 O ATOM 301 CB PHE A 23 0.039 4.347 1.060 1.00 0.00 C ATOM 302 CG PHE A 23 1.519 4.098 1.140 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.058 3.387 2.200 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.369 4.575 0.156 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.419 3.156 2.277 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.730 4.346 0.227 1.00 0.00 C ATOM 307 CZ PHE A 23 4.256 3.637 1.289 1.00 0.00 C ATOM 0 H PHE A 23 1.017 6.832 2.268 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.550 5.444 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.488 3.404 1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.208 4.702 0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.408 3.009 2.975 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.964 5.132 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.827 2.600 3.108 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.382 4.721 -0.548 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.320 3.459 1.347 1.00 0.00 H new ATOM 317 N SER A 24 -1.009 4.079 4.074 1.00 0.00 N ATOM 318 CA SER A 24 -0.805 3.558 5.421 1.00 0.00 C ATOM 319 C SER A 24 -0.611 2.044 5.394 1.00 0.00 C ATOM 320 O SER A 24 -1.300 1.331 4.664 1.00 0.00 O ATOM 321 CB SER A 24 -1.993 3.915 6.315 1.00 0.00 C ATOM 322 OG SER A 24 -2.019 5.303 6.598 1.00 0.00 O ATOM 0 H SER A 24 -1.874 3.772 3.629 1.00 0.00 H new ATOM 0 HA SER A 24 0.097 4.016 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.922 3.623 5.825 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.934 3.352 7.246 1.00 0.00 H new ATOM 0 HG SER A 24 -2.789 5.506 7.170 1.00 0.00 H new ATOM 328 N LEU A 25 0.332 1.561 6.195 1.00 0.00 N ATOM 329 CA LEU A 25 0.618 0.132 6.265 1.00 0.00 C ATOM 330 C LEU A 25 0.219 -0.437 7.623 1.00 0.00 C ATOM 331 O LEU A 25 0.448 0.184 8.661 1.00 0.00 O ATOM 332 CB LEU A 25 2.104 -0.123 6.009 1.00 0.00 C ATOM 333 CG LEU A 25 2.655 0.397 4.680 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.166 0.234 4.629 1.00 0.00 C ATOM 335 CD2 LEU A 25 1.999 -0.325 3.512 1.00 0.00 C ATOM 0 H LEU A 25 0.912 2.137 6.805 1.00 0.00 H new ATOM 0 HA LEU A 25 0.032 -0.370 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.675 0.331 6.819 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.281 -1.197 6.058 1.00 0.00 H new ATOM 0 HG LEU A 25 2.422 1.459 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.540 0.609 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.620 0.797 5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.422 -0.821 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.403 0.058 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.201 -1.394 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.922 -0.157 3.539 1.00 0.00 H new ATOM 347 N LYS A 26 -0.377 -1.625 7.609 1.00 0.00 N ATOM 348 CA LYS A 26 -0.804 -2.281 8.838 1.00 0.00 C ATOM 349 C LYS A 26 -0.929 -3.788 8.636 1.00 0.00 C ATOM 350 O LYS A 26 -1.398 -4.248 7.594 1.00 0.00 O ATOM 351 CB LYS A 26 -2.142 -1.707 9.309 1.00 0.00 C ATOM 352 CG LYS A 26 -3.285 -1.955 8.340 1.00 0.00 C ATOM 353 CD LYS A 26 -4.621 -1.543 8.936 1.00 0.00 C ATOM 354 CE LYS A 26 -5.254 -2.680 9.723 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.120 -2.177 10.825 1.00 0.00 N ATOM 0 H LYS A 26 -0.575 -2.153 6.759 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.047 -2.096 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.395 -2.143 10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.033 -0.633 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.110 -1.399 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.315 -3.012 8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.479 -0.682 9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.296 -1.231 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.846 -3.301 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.471 -3.315 10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.533 -2.982 11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.550 -1.605 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.883 -1.592 10.428 1.00 0.00 H new ATOM 369 N THR A 27 -0.508 -4.553 9.638 1.00 0.00 N ATOM 370 CA THR A 27 -0.574 -6.007 9.570 1.00 0.00 C ATOM 371 C THR A 27 -1.738 -6.544 10.394 1.00 0.00 C ATOM 372 O THR A 27 -2.191 -5.901 11.341 1.00 0.00 O ATOM 373 CB THR A 27 0.734 -6.652 10.068 1.00 0.00 C ATOM 374 OG1 THR A 27 1.067 -6.145 11.365 1.00 0.00 O ATOM 375 CG2 THR A 27 1.876 -6.376 9.101 1.00 0.00 C ATOM 0 H THR A 27 -0.117 -4.189 10.507 1.00 0.00 H new ATOM 0 HA THR A 27 -0.724 -6.268 8.522 1.00 0.00 H new ATOM 0 HB THR A 27 0.582 -7.730 10.128 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.898 -6.561 11.675 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.789 -6.841 9.474 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.632 -6.789 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.027 -5.300 9.014 1.00 0.00 H new ATOM 383 N VAL A 28 -2.219 -7.729 10.029 1.00 0.00 N ATOM 384 CA VAL A 28 -3.330 -8.354 10.736 1.00 0.00 C ATOM 385 C VAL A 28 -2.901 -9.666 11.383 1.00 0.00 C ATOM 386 O VAL A 28 -2.181 -10.460 10.779 1.00 0.00 O ATOM 387 CB VAL A 28 -4.516 -8.624 9.790 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.677 -9.242 10.554 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.945 -7.341 9.095 1.00 0.00 C ATOM 0 H VAL A 28 -1.856 -8.275 9.248 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.645 -7.656 11.512 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.197 -9.333 9.026 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.506 -9.426 9.870 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.359 -10.184 11.000 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.000 -8.559 11.340 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.784 -7.550 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.248 -6.607 9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.112 -6.946 8.514 1.00 0.00 H new ATOM 399 N GLN A 29 -3.349 -9.886 12.615 1.00 0.00 N ATOM 400 CA GLN A 29 -3.011 -11.102 13.344 1.00 0.00 C ATOM 401 C GLN A 29 -3.421 -12.342 12.556 1.00 0.00 C ATOM 402 O GLN A 29 -2.694 -13.333 12.516 1.00 0.00 O ATOM 403 CB GLN A 29 -3.691 -11.106 14.715 1.00 0.00 C ATOM 404 CG GLN A 29 -3.128 -12.146 15.670 1.00 0.00 C ATOM 405 CD GLN A 29 -4.122 -12.554 16.739 1.00 0.00 C ATOM 406 OE1 GLN A 29 -5.221 -13.020 16.436 1.00 0.00 O ATOM 407 NE2 GLN A 29 -3.741 -12.383 17.999 1.00 0.00 N ATOM 0 H GLN A 29 -3.946 -9.238 13.129 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.930 -11.123 13.482 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.589 -10.118 15.165 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.758 -11.287 14.582 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.826 -13.027 15.104 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.231 -11.749 16.145 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.821 -11.993 18.205 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.368 -12.641 18.761 1.00 0.00 H new ATOM 416 N GLY A 30 -4.593 -12.278 11.930 1.00 0.00 N ATOM 417 CA GLY A 30 -5.080 -13.402 11.152 1.00 0.00 C ATOM 418 C GLY A 30 -4.614 -13.354 9.710 1.00 0.00 C ATOM 419 O GLY A 30 -5.304 -13.833 8.811 1.00 0.00 O ATOM 0 H GLY A 30 -5.213 -11.468 11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.740 -14.331 11.610 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.170 -13.413 11.178 1.00 0.00 H new ATOM 423 N LYS A 31 -3.440 -12.773 9.489 1.00 0.00 N ATOM 424 CA LYS A 31 -2.882 -12.663 8.146 1.00 0.00 C ATOM 425 C LYS A 31 -1.357 -12.636 8.192 1.00 0.00 C ATOM 426 O LYS A 31 -0.759 -12.570 9.266 1.00 0.00 O ATOM 427 CB LYS A 31 -3.404 -11.402 7.456 1.00 0.00 C ATOM 428 CG LYS A 31 -4.920 -11.298 7.444 1.00 0.00 C ATOM 429 CD LYS A 31 -5.400 -10.258 6.446 1.00 0.00 C ATOM 430 CE LYS A 31 -6.918 -10.229 6.358 1.00 0.00 C ATOM 431 NZ LYS A 31 -7.444 -11.317 5.489 1.00 0.00 N ATOM 0 H LYS A 31 -2.856 -12.371 10.222 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.196 -13.537 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.992 -10.526 7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.039 -11.382 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.350 -12.268 7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.276 -11.038 8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.033 -9.274 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.982 -10.475 5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.342 -10.326 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.241 -9.264 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.482 -11.263 5.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.060 -11.210 4.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.158 -12.239 5.876 1.00 0.00 H new ATOM 445 N LYS A 32 -0.734 -12.687 7.020 1.00 0.00 N ATOM 446 CA LYS A 32 0.721 -12.665 6.925 1.00 0.00 C ATOM 447 C LYS A 32 1.187 -11.577 5.963 1.00 0.00 C ATOM 448 O LYS A 32 0.841 -11.588 4.782 1.00 0.00 O ATOM 449 CB LYS A 32 1.243 -14.028 6.462 1.00 0.00 C ATOM 450 CG LYS A 32 1.359 -15.047 7.582 1.00 0.00 C ATOM 451 CD LYS A 32 2.661 -14.888 8.348 1.00 0.00 C ATOM 452 CE LYS A 32 3.091 -16.197 8.993 1.00 0.00 C ATOM 453 NZ LYS A 32 2.329 -16.476 10.241 1.00 0.00 N ATOM 0 H LYS A 32 -1.214 -12.744 6.122 1.00 0.00 H new ATOM 0 HA LYS A 32 1.122 -12.446 7.915 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.578 -14.420 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.221 -13.895 6.000 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.518 -14.935 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.301 -16.053 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.442 -14.540 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.541 -14.124 9.117 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.945 -17.015 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.157 -16.158 9.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.651 -17.376 10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.489 -15.708 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.314 -16.539 10.022 1.00 0.00 H new ATOM 467 N GLY A 33 1.977 -10.638 6.476 1.00 0.00 N ATOM 468 CA GLY A 33 2.478 -9.557 5.648 1.00 0.00 C ATOM 469 C GLY A 33 1.724 -8.261 5.868 1.00 0.00 C ATOM 470 O GLY A 33 0.731 -8.227 6.594 1.00 0.00 O ATOM 0 H GLY A 33 2.279 -10.607 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.535 -9.400 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.404 -9.843 4.599 1.00 0.00 H new ATOM 474 N VAL A 34 2.197 -7.189 5.239 1.00 0.00 N ATOM 475 CA VAL A 34 1.561 -5.884 5.370 1.00 0.00 C ATOM 476 C VAL A 34 0.863 -5.480 4.075 1.00 0.00 C ATOM 477 O VAL A 34 1.173 -6.000 3.003 1.00 0.00 O ATOM 478 CB VAL A 34 2.584 -4.796 5.749 1.00 0.00 C ATOM 479 CG1 VAL A 34 3.404 -4.388 4.535 1.00 0.00 C ATOM 480 CG2 VAL A 34 1.880 -3.592 6.357 1.00 0.00 C ATOM 0 H VAL A 34 3.018 -7.199 4.634 1.00 0.00 H new ATOM 0 HA VAL A 34 0.822 -5.971 6.166 1.00 0.00 H new ATOM 0 HB VAL A 34 3.264 -5.205 6.496 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.121 -3.619 4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.938 -5.256 4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.741 -3.996 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.617 -2.833 6.619 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.176 -3.179 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.342 -3.900 7.254 1.00 0.00 H new ATOM 490 N TYR A 35 -0.079 -4.551 4.183 1.00 0.00 N ATOM 491 CA TYR A 35 -0.823 -4.078 3.021 1.00 0.00 C ATOM 492 C TYR A 35 -1.365 -2.672 3.256 1.00 0.00 C ATOM 493 O TYR A 35 -1.413 -2.195 4.390 1.00 0.00 O ATOM 494 CB TYR A 35 -1.974 -5.034 2.703 1.00 0.00 C ATOM 495 CG TYR A 35 -2.941 -5.221 3.850 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.686 -4.155 4.338 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.109 -6.465 4.447 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.570 -4.322 5.386 1.00 0.00 C ATOM 499 CE2 TYR A 35 -3.991 -6.641 5.495 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.719 -5.566 5.961 1.00 0.00 C ATOM 501 OH TYR A 35 -5.599 -5.737 7.005 1.00 0.00 O ATOM 0 H TYR A 35 -0.346 -4.110 5.063 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.140 -4.047 2.172 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.519 -4.658 1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.563 -6.004 2.424 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.572 -3.179 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.540 -7.309 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.142 -3.482 5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.110 -7.615 5.947 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.299 -6.371 6.743 1.00 0.00 H new ATOM 511 N MET A 36 -1.774 -2.014 2.176 1.00 0.00 N ATOM 512 CA MET A 36 -2.315 -0.663 2.264 1.00 0.00 C ATOM 513 C MET A 36 -3.741 -0.682 2.807 1.00 0.00 C ATOM 514 O MET A 36 -4.561 -1.505 2.398 1.00 0.00 O ATOM 515 CB MET A 36 -2.289 0.011 0.891 1.00 0.00 C ATOM 516 CG MET A 36 -0.979 -0.183 0.144 1.00 0.00 C ATOM 517 SD MET A 36 0.371 0.786 0.846 1.00 0.00 S ATOM 518 CE MET A 36 1.672 0.463 -0.341 1.00 0.00 C ATOM 0 H MET A 36 -1.741 -2.394 1.230 1.00 0.00 H new ATOM 0 HA MET A 36 -1.691 -0.093 2.952 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.105 -0.384 0.286 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.472 1.078 1.016 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.709 -1.239 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.116 0.096 -0.901 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.624 0.367 0.180 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.455 -0.462 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.729 1.288 -1.052 1.00 0.00 H new ATOM 528 N THR A 37 -4.030 0.229 3.730 1.00 0.00 N ATOM 529 CA THR A 37 -5.356 0.315 4.330 1.00 0.00 C ATOM 530 C THR A 37 -5.977 1.687 4.095 1.00 0.00 C ATOM 531 O THR A 37 -7.180 1.802 3.860 1.00 0.00 O ATOM 532 CB THR A 37 -5.307 0.039 5.844 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.604 0.233 6.420 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.301 0.952 6.528 1.00 0.00 C ATOM 0 H THR A 37 -3.364 0.918 4.079 1.00 0.00 H new ATOM 0 HA THR A 37 -5.970 -0.447 3.850 1.00 0.00 H new ATOM 0 HB THR A 37 -4.995 -0.995 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.508 0.528 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.284 0.739 7.597 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.310 0.781 6.108 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.587 1.992 6.370 1.00 0.00 H new ATOM 542 N ASP A 38 -5.150 2.725 4.159 1.00 0.00 N ATOM 543 CA ASP A 38 -5.619 4.090 3.951 1.00 0.00 C ATOM 544 C ASP A 38 -4.797 4.788 2.872 1.00 0.00 C ATOM 545 O ASP A 38 -3.598 5.011 3.039 1.00 0.00 O ATOM 546 CB ASP A 38 -5.546 4.882 5.258 1.00 0.00 C ATOM 547 CG ASP A 38 -6.562 6.005 5.312 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.753 5.740 5.044 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.167 7.149 5.622 1.00 0.00 O ATOM 0 H ASP A 38 -4.152 2.647 4.353 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.657 4.045 3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.710 4.207 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.544 5.296 5.373 1.00 0.00 H new ATOM 554 N ILE A 39 -5.450 5.130 1.767 1.00 0.00 N ATOM 555 CA ILE A 39 -4.780 5.803 0.661 1.00 0.00 C ATOM 556 C ILE A 39 -5.191 7.269 0.579 1.00 0.00 C ATOM 557 O ILE A 39 -6.161 7.617 -0.096 1.00 0.00 O ATOM 558 CB ILE A 39 -5.088 5.119 -0.684 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.723 3.635 -0.622 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.337 5.808 -1.813 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.244 3.384 -0.424 1.00 0.00 C ATOM 0 H ILE A 39 -6.443 4.952 1.613 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.709 5.739 0.855 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.157 5.203 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.275 3.167 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.045 3.151 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.565 5.313 -2.757 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.642 6.853 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.265 5.752 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.059 2.310 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.687 3.822 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.920 3.838 0.512 1.00 0.00 H new ATOM 573 N THR A 40 -4.446 8.126 1.270 1.00 0.00 N ATOM 574 CA THR A 40 -4.731 9.555 1.275 1.00 0.00 C ATOM 575 C THR A 40 -5.109 10.046 -0.118 1.00 0.00 C ATOM 576 O THR A 40 -4.427 9.770 -1.106 1.00 0.00 O ATOM 577 CB THR A 40 -3.525 10.368 1.783 1.00 0.00 C ATOM 578 OG1 THR A 40 -3.192 9.967 3.117 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.827 11.858 1.756 1.00 0.00 C ATOM 0 H THR A 40 -3.640 7.855 1.834 1.00 0.00 H new ATOM 0 HA THR A 40 -5.572 9.706 1.951 1.00 0.00 H new ATOM 0 HB THR A 40 -2.679 10.174 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.423 10.487 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.961 12.411 2.119 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.052 12.165 0.735 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.685 12.067 2.395 1.00 0.00 H new ATOM 587 N PRO A 41 -6.220 10.792 -0.203 1.00 0.00 N ATOM 588 CA PRO A 41 -6.713 11.338 -1.471 1.00 0.00 C ATOM 589 C PRO A 41 -5.813 12.442 -2.015 1.00 0.00 C ATOM 590 O PRO A 41 -5.297 13.264 -1.258 1.00 0.00 O ATOM 591 CB PRO A 41 -8.088 11.901 -1.105 1.00 0.00 C ATOM 592 CG PRO A 41 -7.999 12.201 0.352 1.00 0.00 C ATOM 593 CD PRO A 41 -7.082 11.160 0.933 1.00 0.00 C ATOM 0 HA PRO A 41 -6.742 10.582 -2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.314 12.798 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.879 11.181 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.607 13.204 0.521 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.983 12.160 0.820 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.501 11.556 1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.637 10.301 1.311 1.00 0.00 H new ATOM 601 N GLN A 42 -5.629 12.454 -3.331 1.00 0.00 N ATOM 602 CA GLN A 42 -4.791 13.458 -3.976 1.00 0.00 C ATOM 603 C GLN A 42 -3.394 13.475 -3.364 1.00 0.00 C ATOM 604 O GLN A 42 -2.867 14.534 -3.024 1.00 0.00 O ATOM 605 CB GLN A 42 -5.431 14.842 -3.854 1.00 0.00 C ATOM 606 CG GLN A 42 -6.838 14.914 -4.423 1.00 0.00 C ATOM 607 CD GLN A 42 -6.862 14.816 -5.936 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.514 13.783 -6.508 1.00 0.00 O ATOM 609 NE2 GLN A 42 -7.275 15.893 -6.593 1.00 0.00 N ATOM 0 H GLN A 42 -6.049 11.780 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.703 13.198 -5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.458 15.129 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.803 15.570 -4.367 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.438 14.108 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.302 15.851 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.554 16.728 -6.079 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.313 15.885 -7.612 1.00 0.00 H new ATOM 618 N GLY A 43 -2.799 12.294 -3.225 1.00 0.00 N ATOM 619 CA GLY A 43 -1.469 12.196 -2.653 1.00 0.00 C ATOM 620 C GLY A 43 -0.494 11.485 -3.571 1.00 0.00 C ATOM 621 O GLY A 43 -0.548 11.646 -4.790 1.00 0.00 O ATOM 0 H GLY A 43 -3.214 11.403 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.095 13.197 -2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.524 11.664 -1.703 1.00 0.00 H new ATOM 625 N VAL A 44 0.401 10.696 -2.984 1.00 0.00 N ATOM 626 CA VAL A 44 1.393 9.959 -3.757 1.00 0.00 C ATOM 627 C VAL A 44 0.845 8.609 -4.208 1.00 0.00 C ATOM 628 O VAL A 44 0.948 8.246 -5.380 1.00 0.00 O ATOM 629 CB VAL A 44 2.682 9.732 -2.945 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.687 8.925 -3.753 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.279 11.062 -2.511 1.00 0.00 C ATOM 0 H VAL A 44 0.459 10.551 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 44 1.626 10.565 -4.633 1.00 0.00 H new ATOM 0 HB VAL A 44 2.432 9.163 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.591 8.775 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.255 7.957 -4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.936 9.464 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.189 10.883 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.516 11.659 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.560 11.599 -1.891 1.00 0.00 H new ATOM 641 N ALA A 45 0.261 7.870 -3.271 1.00 0.00 N ATOM 642 CA ALA A 45 -0.305 6.562 -3.572 1.00 0.00 C ATOM 643 C ALA A 45 -1.428 6.673 -4.599 1.00 0.00 C ATOM 644 O ALA A 45 -1.368 6.063 -5.666 1.00 0.00 O ATOM 645 CB ALA A 45 -0.815 5.901 -2.300 1.00 0.00 C ATOM 0 H ALA A 45 0.168 8.156 -2.296 1.00 0.00 H new ATOM 0 HA ALA A 45 0.484 5.942 -3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.235 4.924 -2.541 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.010 5.778 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.586 6.526 -1.849 1.00 0.00 H new ATOM 651 N MET A 46 -2.450 7.454 -4.268 1.00 0.00 N ATOM 652 CA MET A 46 -3.586 7.645 -5.163 1.00 0.00 C ATOM 653 C MET A 46 -3.118 8.044 -6.558 1.00 0.00 C ATOM 654 O MET A 46 -3.858 7.911 -7.533 1.00 0.00 O ATOM 655 CB MET A 46 -4.529 8.712 -4.604 1.00 0.00 C ATOM 656 CG MET A 46 -5.915 8.685 -5.228 1.00 0.00 C ATOM 657 SD MET A 46 -6.757 7.110 -4.982 1.00 0.00 S ATOM 658 CE MET A 46 -7.753 7.480 -3.540 1.00 0.00 C ATOM 0 H MET A 46 -2.516 7.965 -3.388 1.00 0.00 H new ATOM 0 HA MET A 46 -4.122 6.699 -5.236 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.622 8.575 -3.527 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.087 9.695 -4.763 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.518 9.486 -4.799 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.832 8.885 -6.296 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.334 6.600 -3.264 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.103 7.761 -2.711 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.429 8.305 -3.766 1.00 0.00 H new ATOM 668 N ARG A 47 -1.886 8.534 -6.647 1.00 0.00 N ATOM 669 CA ARG A 47 -1.320 8.954 -7.923 1.00 0.00 C ATOM 670 C ARG A 47 -0.667 7.777 -8.642 1.00 0.00 C ATOM 671 O ARG A 47 -0.646 7.721 -9.871 1.00 0.00 O ATOM 672 CB ARG A 47 -0.294 10.068 -7.709 1.00 0.00 C ATOM 673 CG ARG A 47 0.272 10.632 -9.002 1.00 0.00 C ATOM 674 CD ARG A 47 -0.583 11.770 -9.535 1.00 0.00 C ATOM 675 NE ARG A 47 0.020 12.406 -10.704 1.00 0.00 N ATOM 676 CZ ARG A 47 -0.596 13.324 -11.440 1.00 0.00 C ATOM 677 NH1 ARG A 47 -1.826 13.712 -11.130 1.00 0.00 N ATOM 678 NH2 ARG A 47 0.018 13.857 -12.489 1.00 0.00 N ATOM 0 H ARG A 47 -1.260 8.650 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.132 9.332 -8.545 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.760 10.875 -7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.525 9.684 -7.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.288 10.988 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.333 9.841 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.570 11.390 -9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.726 12.514 -8.751 1.00 0.00 H new ATOM 0 HE ARG A 47 0.965 12.130 -10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.301 13.305 -10.324 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.296 14.417 -11.697 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.964 13.562 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.456 14.562 -13.054 1.00 0.00 H new ATOM 692 N ALA A 48 -0.134 6.839 -7.866 1.00 0.00 N ATOM 693 CA ALA A 48 0.519 5.663 -8.428 1.00 0.00 C ATOM 694 C ALA A 48 -0.498 4.575 -8.755 1.00 0.00 C ATOM 695 O ALA A 48 -0.134 3.426 -9.003 1.00 0.00 O ATOM 696 CB ALA A 48 1.571 5.133 -7.465 1.00 0.00 C ATOM 0 H ALA A 48 -0.142 6.871 -6.847 1.00 0.00 H new ATOM 0 HA ALA A 48 1.008 5.958 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.051 4.255 -7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.320 5.904 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.097 4.860 -6.522 1.00 0.00 H new ATOM 702 N GLY A 49 -1.775 4.944 -8.754 1.00 0.00 N ATOM 703 CA GLY A 49 -2.824 3.987 -9.051 1.00 0.00 C ATOM 704 C GLY A 49 -2.817 2.805 -8.103 1.00 0.00 C ATOM 705 O GLY A 49 -2.954 1.658 -8.528 1.00 0.00 O ATOM 0 H GLY A 49 -2.102 5.889 -8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.792 4.486 -8.998 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.706 3.629 -10.074 1.00 0.00 H new ATOM 709 N VAL A 50 -2.653 3.083 -6.814 1.00 0.00 N ATOM 710 CA VAL A 50 -2.627 2.033 -5.802 1.00 0.00 C ATOM 711 C VAL A 50 -3.833 2.134 -4.875 1.00 0.00 C ATOM 712 O VAL A 50 -3.944 3.069 -4.081 1.00 0.00 O ATOM 713 CB VAL A 50 -1.339 2.097 -4.960 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.280 3.398 -4.172 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.251 0.897 -4.030 1.00 0.00 C ATOM 0 H VAL A 50 -2.536 4.027 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.658 1.081 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.483 2.069 -5.634 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.363 3.425 -3.583 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.294 4.242 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.141 3.459 -3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.335 0.958 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.111 0.891 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.244 -0.020 -4.619 1.00 0.00 H new ATOM 725 N LEU A 51 -4.736 1.164 -4.980 1.00 0.00 N ATOM 726 CA LEU A 51 -5.935 1.142 -4.150 1.00 0.00 C ATOM 727 C LEU A 51 -5.653 0.485 -2.803 1.00 0.00 C ATOM 728 O LEU A 51 -4.643 -0.197 -2.633 1.00 0.00 O ATOM 729 CB LEU A 51 -7.062 0.396 -4.868 1.00 0.00 C ATOM 730 CG LEU A 51 -6.758 -1.045 -5.279 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.123 -2.007 -4.159 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.502 -1.403 -6.557 1.00 0.00 C ATOM 0 H LEU A 51 -4.660 0.383 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.244 2.172 -3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.938 0.390 -4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.331 0.959 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.688 -1.131 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.900 -3.028 -4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.545 -1.764 -3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.186 -1.920 -3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.274 -2.432 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.575 -1.300 -6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.191 -0.733 -7.359 1.00 0.00 H new ATOM 744 N ALA A 52 -6.553 0.695 -1.848 1.00 0.00 N ATOM 745 CA ALA A 52 -6.403 0.120 -0.517 1.00 0.00 C ATOM 746 C ALA A 52 -6.810 -1.350 -0.505 1.00 0.00 C ATOM 747 O ALA A 52 -7.374 -1.856 -1.475 1.00 0.00 O ATOM 748 CB ALA A 52 -7.227 0.906 0.493 1.00 0.00 C ATOM 0 H ALA A 52 -7.394 1.259 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.351 0.181 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.106 0.466 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.888 1.942 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.279 0.874 0.208 1.00 0.00 H new ATOM 754 N ASP A 53 -6.519 -2.030 0.598 1.00 0.00 N ATOM 755 CA ASP A 53 -6.854 -3.442 0.736 1.00 0.00 C ATOM 756 C ASP A 53 -6.114 -4.281 -0.300 1.00 0.00 C ATOM 757 O ASP A 53 -6.676 -5.211 -0.878 1.00 0.00 O ATOM 758 CB ASP A 53 -8.363 -3.647 0.592 1.00 0.00 C ATOM 759 CG ASP A 53 -9.141 -3.060 1.754 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.719 -3.260 2.912 1.00 0.00 O ATOM 761 OD2 ASP A 53 -10.171 -2.399 1.505 1.00 0.00 O ATOM 0 H ASP A 53 -6.052 -1.626 1.410 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.544 -3.767 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.702 -3.188 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.576 -4.713 0.517 1.00 0.00 H new ATOM 766 N ASP A 54 -4.850 -3.945 -0.532 1.00 0.00 N ATOM 767 CA ASP A 54 -4.031 -4.666 -1.500 1.00 0.00 C ATOM 768 C ASP A 54 -2.843 -5.334 -0.815 1.00 0.00 C ATOM 769 O ASP A 54 -1.973 -4.660 -0.262 1.00 0.00 O ATOM 770 CB ASP A 54 -3.539 -3.716 -2.593 1.00 0.00 C ATOM 771 CG ASP A 54 -4.564 -3.518 -3.692 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.616 -4.189 -3.650 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.314 -2.692 -4.595 1.00 0.00 O ATOM 0 H ASP A 54 -4.370 -3.177 -0.063 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.648 -5.441 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.296 -2.751 -2.149 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.619 -4.109 -3.025 1.00 0.00 H new ATOM 778 N HIS A 55 -2.812 -6.662 -0.856 1.00 0.00 N ATOM 779 CA HIS A 55 -1.730 -7.421 -0.240 1.00 0.00 C ATOM 780 C HIS A 55 -0.417 -7.200 -0.986 1.00 0.00 C ATOM 781 O HIS A 55 -0.313 -7.487 -2.179 1.00 0.00 O ATOM 782 CB HIS A 55 -2.072 -8.911 -0.217 1.00 0.00 C ATOM 783 CG HIS A 55 -0.921 -9.784 0.178 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.779 -11.085 -0.259 1.00 0.00 N ATOM 785 CD2 HIS A 55 0.147 -9.537 0.972 1.00 0.00 C ATOM 786 CE1 HIS A 55 0.326 -11.599 0.251 1.00 0.00 C ATOM 787 NE2 HIS A 55 0.906 -10.680 1.001 1.00 0.00 N ATOM 0 H HIS A 55 -3.524 -7.235 -1.309 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.610 -7.068 0.784 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.897 -9.075 0.477 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.422 -9.210 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.362 -8.612 1.487 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.693 -12.601 0.083 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.777 -10.800 1.518 1.00 0.00 H new ATOM 796 N LEU A 56 0.582 -6.688 -0.276 1.00 0.00 N ATOM 797 CA LEU A 56 1.888 -6.428 -0.871 1.00 0.00 C ATOM 798 C LEU A 56 2.548 -7.726 -1.325 1.00 0.00 C ATOM 799 O LEU A 56 2.580 -8.710 -0.584 1.00 0.00 O ATOM 800 CB LEU A 56 2.792 -5.706 0.130 1.00 0.00 C ATOM 801 CG LEU A 56 2.852 -4.184 0.003 1.00 0.00 C ATOM 802 CD1 LEU A 56 1.517 -3.563 0.382 1.00 0.00 C ATOM 803 CD2 LEU A 56 3.969 -3.620 0.870 1.00 0.00 C ATOM 0 H LEU A 56 0.513 -6.445 0.712 1.00 0.00 H new ATOM 0 HA LEU A 56 1.742 -5.792 -1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.456 -5.954 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.803 -6.099 0.026 1.00 0.00 H new ATOM 0 HG LEU A 56 3.064 -3.934 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.579 -2.479 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.738 -3.942 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.275 -3.822 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.997 -2.535 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.787 -3.881 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.924 -4.039 0.552 1.00 0.00 H new ATOM 815 N ILE A 57 3.076 -7.721 -2.544 1.00 0.00 N ATOM 816 CA ILE A 57 3.738 -8.897 -3.095 1.00 0.00 C ATOM 817 C ILE A 57 5.255 -8.748 -3.043 1.00 0.00 C ATOM 818 O ILE A 57 5.982 -9.737 -2.968 1.00 0.00 O ATOM 819 CB ILE A 57 3.308 -9.155 -4.551 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.784 -9.254 -4.646 1.00 0.00 C ATOM 821 CG2 ILE A 57 3.961 -10.423 -5.079 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.236 -10.588 -4.192 1.00 0.00 C ATOM 0 H ILE A 57 3.058 -6.915 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 57 3.437 -9.746 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 57 3.637 -8.317 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.338 -8.463 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.480 -9.078 -5.678 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.647 -10.592 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.045 -10.316 -5.043 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.659 -11.271 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.150 -10.587 -4.287 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.653 -11.382 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.509 -10.758 -3.151 1.00 0.00 H new ATOM 834 N GLU A 58 5.724 -7.505 -3.082 1.00 0.00 N ATOM 835 CA GLU A 58 7.155 -7.227 -3.038 1.00 0.00 C ATOM 836 C GLU A 58 7.416 -5.724 -2.987 1.00 0.00 C ATOM 837 O GLU A 58 6.713 -4.939 -3.623 1.00 0.00 O ATOM 838 CB GLU A 58 7.852 -7.836 -4.256 1.00 0.00 C ATOM 839 CG GLU A 58 7.199 -7.469 -5.578 1.00 0.00 C ATOM 840 CD GLU A 58 7.945 -8.031 -6.773 1.00 0.00 C ATOM 841 OE1 GLU A 58 8.170 -9.259 -6.809 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.304 -7.242 -7.672 1.00 0.00 O ATOM 0 H GLU A 58 5.135 -6.675 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 58 7.560 -7.679 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.892 -7.508 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.861 -8.921 -4.154 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.174 -7.839 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.147 -6.384 -5.664 1.00 0.00 H new ATOM 849 N VAL A 59 8.432 -5.332 -2.224 1.00 0.00 N ATOM 850 CA VAL A 59 8.787 -3.924 -2.090 1.00 0.00 C ATOM 851 C VAL A 59 10.139 -3.635 -2.732 1.00 0.00 C ATOM 852 O VAL A 59 11.156 -4.210 -2.347 1.00 0.00 O ATOM 853 CB VAL A 59 8.832 -3.496 -0.611 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.338 -2.067 -0.484 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.459 -3.643 0.027 1.00 0.00 C ATOM 0 H VAL A 59 9.023 -5.969 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 59 8.014 -3.352 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 59 9.525 -4.150 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.363 -1.782 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.342 -1.998 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.672 -1.396 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.509 -3.336 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.743 -3.014 -0.502 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.140 -4.684 -0.031 1.00 0.00 H new ATOM 865 N ASN A 60 10.142 -2.739 -3.714 1.00 0.00 N ATOM 866 CA ASN A 60 11.370 -2.373 -4.411 1.00 0.00 C ATOM 867 C ASN A 60 11.974 -3.582 -5.119 1.00 0.00 C ATOM 868 O ASN A 60 13.191 -3.683 -5.266 1.00 0.00 O ATOM 869 CB ASN A 60 12.383 -1.785 -3.428 1.00 0.00 C ATOM 870 CG ASN A 60 13.341 -0.816 -4.094 1.00 0.00 C ATOM 871 OD1 ASN A 60 14.121 -1.199 -4.966 1.00 0.00 O ATOM 872 ND2 ASN A 60 13.285 0.446 -3.686 1.00 0.00 N ATOM 0 H ASN A 60 9.308 -2.253 -4.045 1.00 0.00 H new ATOM 0 HA ASN A 60 11.123 -1.621 -5.160 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.851 -1.273 -2.626 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.950 -2.594 -2.968 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.905 1.143 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.622 0.718 -2.960 1.00 0.00 H new ATOM 879 N GLY A 61 11.114 -4.496 -5.557 1.00 0.00 N ATOM 880 CA GLY A 61 11.581 -5.685 -6.245 1.00 0.00 C ATOM 881 C GLY A 61 12.116 -6.735 -5.291 1.00 0.00 C ATOM 882 O GLY A 61 13.110 -7.398 -5.582 1.00 0.00 O ATOM 0 H GLY A 61 10.102 -4.434 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 10.762 -6.110 -6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.363 -5.408 -6.952 1.00 0.00 H new ATOM 886 N GLU A 62 11.454 -6.885 -4.148 1.00 0.00 N ATOM 887 CA GLU A 62 11.871 -7.860 -3.147 1.00 0.00 C ATOM 888 C GLU A 62 10.660 -8.528 -2.501 1.00 0.00 C ATOM 889 O GLU A 62 9.894 -7.887 -1.783 1.00 0.00 O ATOM 890 CB GLU A 62 12.729 -7.187 -2.074 1.00 0.00 C ATOM 891 CG GLU A 62 13.097 -8.108 -0.923 1.00 0.00 C ATOM 892 CD GLU A 62 14.383 -8.872 -1.176 1.00 0.00 C ATOM 893 OE1 GLU A 62 15.380 -8.237 -1.577 1.00 0.00 O ATOM 894 OE2 GLU A 62 14.391 -10.105 -0.974 1.00 0.00 O ATOM 0 H GLU A 62 10.628 -6.344 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 62 12.463 -8.626 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.643 -6.811 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.192 -6.324 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.201 -7.520 -0.011 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.285 -8.816 -0.755 1.00 0.00 H new ATOM 901 N ASN A 63 10.495 -9.820 -2.763 1.00 0.00 N ATOM 902 CA ASN A 63 9.378 -10.576 -2.209 1.00 0.00 C ATOM 903 C ASN A 63 9.199 -10.273 -0.724 1.00 0.00 C ATOM 904 O ASN A 63 10.060 -10.597 0.095 1.00 0.00 O ATOM 905 CB ASN A 63 9.599 -12.076 -2.411 1.00 0.00 C ATOM 906 CG ASN A 63 8.489 -12.912 -1.804 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.721 -13.705 -0.892 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.273 -12.737 -2.310 1.00 0.00 N ATOM 0 H ASN A 63 11.121 -10.366 -3.356 1.00 0.00 H new ATOM 0 HA ASN A 63 8.472 -10.275 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.669 -12.290 -3.478 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.551 -12.363 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.486 -13.271 -1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.127 -12.068 -3.066 1.00 0.00 H new ATOM 915 N VAL A 64 8.076 -9.650 -0.384 1.00 0.00 N ATOM 916 CA VAL A 64 7.783 -9.304 1.002 1.00 0.00 C ATOM 917 C VAL A 64 6.420 -9.841 1.426 1.00 0.00 C ATOM 918 O VAL A 64 5.883 -9.450 2.462 1.00 0.00 O ATOM 919 CB VAL A 64 7.811 -7.780 1.219 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.239 -7.258 1.155 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.933 -7.080 0.193 1.00 0.00 C ATOM 0 H VAL A 64 7.354 -9.374 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 64 8.559 -9.765 1.613 1.00 0.00 H new ATOM 0 HB VAL A 64 7.414 -7.564 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.239 -6.179 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.836 -7.737 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.665 -7.484 0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.964 -6.004 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.298 -7.301 -0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.906 -7.433 0.292 1.00 0.00 H new ATOM 931 N GLU A 65 5.867 -10.740 0.618 1.00 0.00 N ATOM 932 CA GLU A 65 4.566 -11.331 0.910 1.00 0.00 C ATOM 933 C GLU A 65 4.499 -11.810 2.357 1.00 0.00 C ATOM 934 O GLU A 65 3.504 -11.591 3.049 1.00 0.00 O ATOM 935 CB GLU A 65 4.286 -12.498 -0.039 1.00 0.00 C ATOM 936 CG GLU A 65 3.762 -12.066 -1.398 1.00 0.00 C ATOM 937 CD GLU A 65 3.276 -13.233 -2.234 1.00 0.00 C ATOM 938 OE1 GLU A 65 2.542 -14.086 -1.692 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.631 -13.296 -3.430 1.00 0.00 O ATOM 0 H GLU A 65 6.299 -11.075 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 65 3.806 -10.564 0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.203 -13.070 -0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.561 -13.166 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.945 -11.358 -1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.551 -11.541 -1.937 1.00 0.00 H new ATOM 946 N ASP A 66 5.563 -12.465 2.808 1.00 0.00 N ATOM 947 CA ASP A 66 5.627 -12.976 4.172 1.00 0.00 C ATOM 948 C ASP A 66 6.612 -12.166 5.010 1.00 0.00 C ATOM 949 O ASP A 66 7.304 -12.711 5.869 1.00 0.00 O ATOM 950 CB ASP A 66 6.031 -14.450 4.169 1.00 0.00 C ATOM 951 CG ASP A 66 7.381 -14.679 3.519 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.539 -14.313 2.336 1.00 0.00 O ATOM 953 OD2 ASP A 66 8.280 -15.225 4.193 1.00 0.00 O ATOM 0 H ASP A 66 6.394 -12.655 2.248 1.00 0.00 H new ATOM 0 HA ASP A 66 4.636 -12.881 4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.058 -14.818 5.194 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.274 -15.030 3.641 1.00 0.00 H new ATOM 958 N ALA A 67 6.670 -10.864 4.752 1.00 0.00 N ATOM 959 CA ALA A 67 7.570 -9.980 5.482 1.00 0.00 C ATOM 960 C ALA A 67 6.814 -9.175 6.534 1.00 0.00 C ATOM 961 O ALA A 67 5.661 -8.796 6.329 1.00 0.00 O ATOM 962 CB ALA A 67 8.291 -9.048 4.520 1.00 0.00 C ATOM 0 H ALA A 67 6.104 -10.398 4.043 1.00 0.00 H new ATOM 0 HA ALA A 67 8.308 -10.597 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.960 -8.394 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.871 -9.637 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.560 -8.445 3.981 1.00 0.00 H new ATOM 968 N SER A 68 7.471 -8.919 7.661 1.00 0.00 N ATOM 969 CA SER A 68 6.859 -8.162 8.747 1.00 0.00 C ATOM 970 C SER A 68 6.954 -6.662 8.486 1.00 0.00 C ATOM 971 O SER A 68 7.915 -6.185 7.882 1.00 0.00 O ATOM 972 CB SER A 68 7.534 -8.503 10.077 1.00 0.00 C ATOM 973 OG SER A 68 7.256 -9.838 10.463 1.00 0.00 O ATOM 0 H SER A 68 8.426 -9.224 7.846 1.00 0.00 H new ATOM 0 HA SER A 68 5.806 -8.437 8.800 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.611 -8.364 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.187 -7.818 10.851 1.00 0.00 H new ATOM 0 HG SER A 68 7.700 -10.031 11.315 1.00 0.00 H new ATOM 979 N HIS A 69 5.949 -5.923 8.945 1.00 0.00 N ATOM 980 CA HIS A 69 5.918 -4.476 8.761 1.00 0.00 C ATOM 981 C HIS A 69 7.268 -3.856 9.107 1.00 0.00 C ATOM 982 O HIS A 69 7.723 -2.927 8.440 1.00 0.00 O ATOM 983 CB HIS A 69 4.822 -3.855 9.627 1.00 0.00 C ATOM 984 CG HIS A 69 4.543 -2.420 9.302 1.00 0.00 C ATOM 985 ND1 HIS A 69 5.531 -1.461 9.219 1.00 0.00 N ATOM 986 CD2 HIS A 69 3.379 -1.782 9.036 1.00 0.00 C ATOM 987 CE1 HIS A 69 4.986 -0.296 8.918 1.00 0.00 C ATOM 988 NE2 HIS A 69 3.681 -0.463 8.801 1.00 0.00 N ATOM 0 H HIS A 69 5.146 -6.302 9.447 1.00 0.00 H new ATOM 0 HA HIS A 69 5.702 -4.272 7.712 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.905 -4.431 9.506 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.111 -3.932 10.675 1.00 0.00 H new ATOM 0 HD1 HIS A 69 6.527 -1.626 9.367 1.00 0.00 H new ATOM 0 HD2 HIS A 69 2.395 -2.228 9.013 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.517 0.635 8.789 1.00 0.00 H new ATOM 997 N GLU A 70 7.903 -4.376 10.152 1.00 0.00 N ATOM 998 CA GLU A 70 9.201 -3.871 10.586 1.00 0.00 C ATOM 999 C GLU A 70 10.278 -4.176 9.549 1.00 0.00 C ATOM 1000 O GLU A 70 11.246 -3.430 9.407 1.00 0.00 O ATOM 1001 CB GLU A 70 9.587 -4.484 11.934 1.00 0.00 C ATOM 1002 CG GLU A 70 8.563 -4.241 13.029 1.00 0.00 C ATOM 1003 CD GLU A 70 7.474 -5.296 13.055 1.00 0.00 C ATOM 1004 OE1 GLU A 70 7.794 -6.483 12.834 1.00 0.00 O ATOM 1005 OE2 GLU A 70 6.303 -4.936 13.296 1.00 0.00 O ATOM 0 H GLU A 70 7.541 -5.146 10.714 1.00 0.00 H new ATOM 0 HA GLU A 70 9.123 -2.789 10.696 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.725 -5.558 11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.547 -4.074 12.248 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.068 -4.221 13.995 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.110 -3.260 12.886 1.00 0.00 H new ATOM 1012 N GLU A 71 10.101 -5.278 8.827 1.00 0.00 N ATOM 1013 CA GLU A 71 11.058 -5.683 7.804 1.00 0.00 C ATOM 1014 C GLU A 71 10.879 -4.856 6.534 1.00 0.00 C ATOM 1015 O GLU A 71 11.837 -4.605 5.803 1.00 0.00 O ATOM 1016 CB GLU A 71 10.897 -7.170 7.483 1.00 0.00 C ATOM 1017 CG GLU A 71 11.509 -8.088 8.529 1.00 0.00 C ATOM 1018 CD GLU A 71 13.005 -7.887 8.678 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.643 -7.442 7.700 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.537 -8.175 9.770 1.00 0.00 O ATOM 0 H GLU A 71 9.304 -5.906 8.932 1.00 0.00 H new ATOM 0 HA GLU A 71 12.061 -5.509 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.836 -7.399 7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.357 -7.376 6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.025 -7.912 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.311 -9.125 8.258 1.00 0.00 H new ATOM 1027 N VAL A 72 9.644 -4.435 6.278 1.00 0.00 N ATOM 1028 CA VAL A 72 9.338 -3.636 5.098 1.00 0.00 C ATOM 1029 C VAL A 72 9.636 -2.160 5.340 1.00 0.00 C ATOM 1030 O VAL A 72 10.432 -1.551 4.626 1.00 0.00 O ATOM 1031 CB VAL A 72 7.863 -3.789 4.683 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.556 -2.924 3.469 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.537 -5.248 4.404 1.00 0.00 C ATOM 0 H VAL A 72 8.839 -4.634 6.872 1.00 0.00 H new ATOM 0 HA VAL A 72 9.974 -4.005 4.293 1.00 0.00 H new ATOM 0 HB VAL A 72 7.235 -3.451 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.509 -3.046 3.191 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.748 -1.878 3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.190 -3.228 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.491 -5.338 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.172 -5.615 3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.715 -5.839 5.303 1.00 0.00 H new ATOM 1043 N VAL A 73 8.992 -1.591 6.354 1.00 0.00 N ATOM 1044 CA VAL A 73 9.188 -0.187 6.694 1.00 0.00 C ATOM 1045 C VAL A 73 10.644 0.225 6.508 1.00 0.00 C ATOM 1046 O VAL A 73 10.940 1.196 5.813 1.00 0.00 O ATOM 1047 CB VAL A 73 8.765 0.104 8.146 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.489 -0.825 9.109 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.031 1.560 8.496 1.00 0.00 C ATOM 0 H VAL A 73 8.329 -2.081 6.955 1.00 0.00 H new ATOM 0 HA VAL A 73 8.560 0.393 6.018 1.00 0.00 H new ATOM 0 HB VAL A 73 7.694 -0.078 8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.178 -0.605 10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.244 -1.860 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.565 -0.677 9.018 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.726 1.748 9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.095 1.772 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.463 2.205 7.826 1.00 0.00 H new ATOM 1059 N GLU A 74 11.549 -0.522 7.133 1.00 0.00 N ATOM 1060 CA GLU A 74 12.975 -0.233 7.036 1.00 0.00 C ATOM 1061 C GLU A 74 13.452 -0.327 5.589 1.00 0.00 C ATOM 1062 O GLU A 74 14.190 0.533 5.109 1.00 0.00 O ATOM 1063 CB GLU A 74 13.775 -1.201 7.912 1.00 0.00 C ATOM 1064 CG GLU A 74 13.847 -2.611 7.351 1.00 0.00 C ATOM 1065 CD GLU A 74 14.611 -3.559 8.255 1.00 0.00 C ATOM 1066 OE1 GLU A 74 14.177 -3.755 9.410 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.641 -4.105 7.808 1.00 0.00 O ATOM 0 H GLU A 74 11.320 -1.331 7.711 1.00 0.00 H new ATOM 0 HA GLU A 74 13.138 0.785 7.389 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.787 -0.815 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.325 -1.236 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.836 -2.991 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.324 -2.585 6.372 1.00 0.00 H new ATOM 1074 N LYS A 75 13.026 -1.379 4.899 1.00 0.00 N ATOM 1075 CA LYS A 75 13.407 -1.588 3.507 1.00 0.00 C ATOM 1076 C LYS A 75 12.989 -0.401 2.645 1.00 0.00 C ATOM 1077 O LYS A 75 13.665 -0.056 1.676 1.00 0.00 O ATOM 1078 CB LYS A 75 12.771 -2.872 2.969 1.00 0.00 C ATOM 1079 CG LYS A 75 13.495 -4.135 3.400 1.00 0.00 C ATOM 1080 CD LYS A 75 12.636 -5.371 3.186 1.00 0.00 C ATOM 1081 CE LYS A 75 12.736 -5.878 1.756 1.00 0.00 C ATOM 1082 NZ LYS A 75 12.025 -4.986 0.799 1.00 0.00 N ATOM 0 H LYS A 75 12.416 -2.101 5.281 1.00 0.00 H new ATOM 0 HA LYS A 75 14.492 -1.682 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.736 -2.924 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.750 -2.829 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.423 -4.234 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.768 -4.058 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.949 -6.156 3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.597 -5.138 3.419 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.785 -5.954 1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.316 -6.882 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.474 -5.562 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.385 -4.355 1.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.719 -4.417 0.274 1.00 0.00 H new ATOM 1096 N VAL A 76 11.870 0.221 3.005 1.00 0.00 N ATOM 1097 CA VAL A 76 11.364 1.371 2.265 1.00 0.00 C ATOM 1098 C VAL A 76 12.272 2.583 2.443 1.00 0.00 C ATOM 1099 O VAL A 76 12.842 3.093 1.478 1.00 0.00 O ATOM 1100 CB VAL A 76 9.938 1.743 2.714 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.476 3.018 2.025 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.976 0.598 2.433 1.00 0.00 C ATOM 0 H VAL A 76 11.297 -0.052 3.804 1.00 0.00 H new ATOM 0 HA VAL A 76 11.345 1.086 1.213 1.00 0.00 H new ATOM 0 HB VAL A 76 9.950 1.923 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.467 3.265 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 76 10.151 3.835 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.479 2.870 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.973 0.878 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.966 0.385 1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.298 -0.290 2.977 1.00 0.00 H new ATOM 1112 N LYS A 77 12.404 3.039 3.684 1.00 0.00 N ATOM 1113 CA LYS A 77 13.244 4.191 3.991 1.00 0.00 C ATOM 1114 C LYS A 77 14.662 3.983 3.468 1.00 0.00 C ATOM 1115 O LYS A 77 15.320 4.930 3.035 1.00 0.00 O ATOM 1116 CB LYS A 77 13.277 4.436 5.501 1.00 0.00 C ATOM 1117 CG LYS A 77 13.976 3.336 6.281 1.00 0.00 C ATOM 1118 CD LYS A 77 14.414 3.818 7.654 1.00 0.00 C ATOM 1119 CE LYS A 77 14.458 2.676 8.658 1.00 0.00 C ATOM 1120 NZ LYS A 77 15.374 2.971 9.794 1.00 0.00 N ATOM 0 H LYS A 77 11.940 2.628 4.494 1.00 0.00 H new ATOM 0 HA LYS A 77 12.817 5.064 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.779 5.383 5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.255 4.536 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.305 2.484 6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.845 2.988 5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.399 4.279 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.727 4.588 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.454 2.489 9.040 1.00 0.00 H new ATOM 0 HE3 LYS A 77 14.783 1.764 8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.376 2.169 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.337 3.124 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.050 3.827 10.288 1.00 0.00 H new ATOM 1134 N LYS A 78 15.128 2.740 3.512 1.00 0.00 N ATOM 1135 CA LYS A 78 16.467 2.407 3.040 1.00 0.00 C ATOM 1136 C LYS A 78 16.530 2.435 1.516 1.00 0.00 C ATOM 1137 O LYS A 78 17.465 2.984 0.934 1.00 0.00 O ATOM 1138 CB LYS A 78 16.882 1.026 3.552 1.00 0.00 C ATOM 1139 CG LYS A 78 17.223 1.003 5.032 1.00 0.00 C ATOM 1140 CD LYS A 78 18.229 -0.088 5.356 1.00 0.00 C ATOM 1141 CE LYS A 78 17.561 -1.451 5.456 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.368 -2.073 4.118 1.00 0.00 N ATOM 0 H LYS A 78 14.598 1.946 3.870 1.00 0.00 H new ATOM 0 HA LYS A 78 17.158 3.155 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.074 0.320 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.746 0.681 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.627 1.971 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.314 0.845 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 78 18.999 -0.115 4.585 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.728 0.144 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.169 -2.108 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.595 -1.347 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.352 -2.209 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.766 -1.451 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.850 -2.994 4.090 1.00 0.00 H new ATOM 1156 N SER A 79 15.528 1.842 0.876 1.00 0.00 N ATOM 1157 CA SER A 79 15.471 1.797 -0.581 1.00 0.00 C ATOM 1158 C SER A 79 15.842 3.150 -1.180 1.00 0.00 C ATOM 1159 O SER A 79 16.256 3.237 -2.335 1.00 0.00 O ATOM 1160 CB SER A 79 14.072 1.387 -1.045 1.00 0.00 C ATOM 1161 OG SER A 79 13.972 -0.020 -1.180 1.00 0.00 O ATOM 0 H SER A 79 14.744 1.386 1.343 1.00 0.00 H new ATOM 0 HA SER A 79 16.192 1.056 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.330 1.741 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.847 1.864 -1.999 1.00 0.00 H new ATOM 0 HG SER A 79 13.846 -0.425 -0.297 1.00 0.00 H new ATOM 1167 N GLY A 80 15.689 4.205 -0.385 1.00 0.00 N ATOM 1168 CA GLY A 80 16.012 5.540 -0.853 1.00 0.00 C ATOM 1169 C GLY A 80 14.835 6.489 -0.755 1.00 0.00 C ATOM 1170 O GLY A 80 14.289 6.703 0.328 1.00 0.00 O ATOM 0 H GLY A 80 15.347 4.159 0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.843 5.935 -0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.347 5.487 -1.889 1.00 0.00 H new ATOM 1174 N SER A 81 14.442 7.062 -1.889 1.00 0.00 N ATOM 1175 CA SER A 81 13.325 7.999 -1.925 1.00 0.00 C ATOM 1176 C SER A 81 12.137 7.399 -2.671 1.00 0.00 C ATOM 1177 O SER A 81 10.982 7.669 -2.342 1.00 0.00 O ATOM 1178 CB SER A 81 13.751 9.309 -2.590 1.00 0.00 C ATOM 1179 OG SER A 81 12.810 10.338 -2.339 1.00 0.00 O ATOM 0 H SER A 81 14.881 6.894 -2.794 1.00 0.00 H new ATOM 0 HA SER A 81 13.022 8.204 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.730 9.608 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.852 9.159 -3.665 1.00 0.00 H new ATOM 0 HG SER A 81 13.106 11.165 -2.773 1.00 0.00 H new ATOM 1185 N ARG A 82 12.430 6.583 -3.679 1.00 0.00 N ATOM 1186 CA ARG A 82 11.388 5.946 -4.474 1.00 0.00 C ATOM 1187 C ARG A 82 11.327 4.447 -4.190 1.00 0.00 C ATOM 1188 O ARG A 82 12.340 3.824 -3.871 1.00 0.00 O ATOM 1189 CB ARG A 82 11.636 6.183 -5.964 1.00 0.00 C ATOM 1190 CG ARG A 82 11.934 7.634 -6.308 1.00 0.00 C ATOM 1191 CD ARG A 82 13.429 7.913 -6.298 1.00 0.00 C ATOM 1192 NE ARG A 82 13.761 9.141 -7.015 1.00 0.00 N ATOM 1193 CZ ARG A 82 13.432 10.354 -6.586 1.00 0.00 C ATOM 1194 NH1 ARG A 82 12.766 10.501 -5.450 1.00 0.00 N ATOM 1195 NH2 ARG A 82 13.770 11.424 -7.295 1.00 0.00 N ATOM 0 H ARG A 82 13.381 6.348 -3.964 1.00 0.00 H new ATOM 0 HA ARG A 82 10.432 6.391 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.472 5.562 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.761 5.857 -6.526 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.526 7.867 -7.291 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.436 8.288 -5.593 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.777 7.989 -5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 82 13.957 7.074 -6.751 1.00 0.00 H new ATOM 0 HE ARG A 82 14.274 9.063 -7.893 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.505 9.681 -4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.515 11.434 -5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.283 11.315 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.517 12.355 -6.965 1.00 0.00 H new ATOM 1209 N VAL A 83 10.133 3.876 -4.307 1.00 0.00 N ATOM 1210 CA VAL A 83 9.940 2.451 -4.064 1.00 0.00 C ATOM 1211 C VAL A 83 9.029 1.832 -5.118 1.00 0.00 C ATOM 1212 O VAL A 83 8.400 2.541 -5.903 1.00 0.00 O ATOM 1213 CB VAL A 83 9.339 2.196 -2.669 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.351 2.530 -1.583 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.062 3.001 -2.484 1.00 0.00 C ATOM 0 H VAL A 83 9.284 4.378 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 83 10.924 1.985 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 83 9.089 1.138 -2.588 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.909 2.344 -0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.236 1.906 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.634 3.580 -1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.651 2.809 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.284 4.063 -2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.335 2.709 -3.241 1.00 0.00 H new ATOM 1225 N MET A 84 8.965 0.505 -5.131 1.00 0.00 N ATOM 1226 CA MET A 84 8.129 -0.211 -6.088 1.00 0.00 C ATOM 1227 C MET A 84 7.254 -1.242 -5.382 1.00 0.00 C ATOM 1228 O MET A 84 7.718 -2.325 -5.027 1.00 0.00 O ATOM 1229 CB MET A 84 8.998 -0.898 -7.142 1.00 0.00 C ATOM 1230 CG MET A 84 8.249 -1.932 -7.968 1.00 0.00 C ATOM 1231 SD MET A 84 9.352 -2.985 -8.929 1.00 0.00 S ATOM 1232 CE MET A 84 10.398 -1.758 -9.710 1.00 0.00 C ATOM 0 H MET A 84 9.482 -0.097 -4.490 1.00 0.00 H new ATOM 0 HA MET A 84 7.480 0.514 -6.579 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.411 -0.142 -7.810 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.841 -1.381 -6.647 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.646 -2.553 -7.305 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.560 -1.423 -8.642 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.949 -2.218 -10.530 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.781 -0.947 -10.098 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.101 -1.361 -8.978 1.00 0.00 H new ATOM 1242 N PHE A 85 5.986 -0.897 -5.181 1.00 0.00 N ATOM 1243 CA PHE A 85 5.047 -1.793 -4.517 1.00 0.00 C ATOM 1244 C PHE A 85 4.240 -2.590 -5.537 1.00 0.00 C ATOM 1245 O PHE A 85 3.584 -2.020 -6.410 1.00 0.00 O ATOM 1246 CB PHE A 85 4.103 -0.997 -3.613 1.00 0.00 C ATOM 1247 CG PHE A 85 4.798 -0.325 -2.464 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.367 -1.075 -1.447 1.00 0.00 C ATOM 1249 CD2 PHE A 85 4.881 1.056 -2.399 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.008 -0.460 -0.388 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.521 1.677 -1.343 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.084 0.918 -0.336 1.00 0.00 C ATOM 0 H PHE A 85 5.586 -0.004 -5.468 1.00 0.00 H new ATOM 0 HA PHE A 85 5.620 -2.492 -3.908 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.592 -0.242 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.337 -1.666 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.309 -2.153 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.440 1.655 -3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.449 -1.056 0.397 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.581 2.755 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.583 1.401 0.491 1.00 0.00 H new ATOM 1262 N LEU A 86 4.295 -3.913 -5.423 1.00 0.00 N ATOM 1263 CA LEU A 86 3.570 -4.790 -6.335 1.00 0.00 C ATOM 1264 C LEU A 86 2.443 -5.519 -5.610 1.00 0.00 C ATOM 1265 O LEU A 86 2.689 -6.387 -4.771 1.00 0.00 O ATOM 1266 CB LEU A 86 4.526 -5.805 -6.966 1.00 0.00 C ATOM 1267 CG LEU A 86 3.888 -6.848 -7.883 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.652 -6.268 -9.269 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.761 -8.092 -7.964 1.00 0.00 C ATOM 0 H LEU A 86 4.834 -4.401 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 86 3.133 -4.174 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.278 -5.260 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.050 -6.327 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 86 2.923 -7.132 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.197 -7.025 -9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.986 -5.408 -9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.603 -5.954 -9.699 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.291 -8.824 -8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.740 -7.824 -8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.877 -8.520 -6.968 1.00 0.00 H new ATOM 1281 N LEU A 87 1.207 -5.163 -5.940 1.00 0.00 N ATOM 1282 CA LEU A 87 0.041 -5.785 -5.322 1.00 0.00 C ATOM 1283 C LEU A 87 -0.910 -6.333 -6.382 1.00 0.00 C ATOM 1284 O LEU A 87 -0.692 -6.151 -7.580 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.692 -4.774 -4.438 1.00 0.00 C ATOM 1286 CG LEU A 87 0.171 -3.671 -3.823 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.229 -2.463 -4.745 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.365 -3.275 -2.455 1.00 0.00 C ATOM 0 H LEU A 87 0.986 -4.447 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 87 0.387 -6.615 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.477 -4.305 -5.031 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.183 -5.317 -3.630 1.00 0.00 H new ATOM 0 HG LEU A 87 1.183 -4.055 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.847 -1.688 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.660 -2.756 -5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.778 -2.077 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.261 -2.489 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.387 -2.909 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.354 -4.142 -1.795 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.966 -7.003 -5.932 1.00 0.00 N ATOM 1301 CA VAL A 88 -2.952 -7.575 -6.841 1.00 0.00 C ATOM 1302 C VAL A 88 -4.291 -6.854 -6.724 1.00 0.00 C ATOM 1303 O VAL A 88 -4.606 -6.272 -5.686 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.165 -9.076 -6.567 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.130 -9.672 -7.580 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.835 -9.814 -6.587 1.00 0.00 C ATOM 0 H VAL A 88 -2.161 -7.163 -4.944 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.561 -7.449 -7.851 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.602 -9.189 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.268 -10.733 -7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.090 -9.161 -7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.724 -9.550 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.004 -10.873 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.368 -9.695 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.179 -9.403 -5.819 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.075 -6.896 -7.796 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.381 -6.248 -7.814 1.00 0.00 C ATOM 1318 C ASP A 89 -7.327 -6.905 -6.814 1.00 0.00 C ATOM 1319 O ASP A 89 -7.533 -8.118 -6.841 1.00 0.00 O ATOM 1320 CB ASP A 89 -6.983 -6.306 -9.219 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.188 -5.497 -10.224 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.738 -4.387 -9.869 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.015 -5.973 -11.365 1.00 0.00 O ATOM 0 H ASP A 89 -4.829 -7.372 -8.664 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.246 -5.205 -7.528 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.030 -7.344 -9.548 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.007 -5.935 -9.188 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.900 -6.095 -5.929 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.825 -6.596 -4.920 1.00 0.00 C ATOM 1330 C LYS A 90 -9.886 -7.492 -5.550 1.00 0.00 C ATOM 1331 O LYS A 90 -10.312 -8.479 -4.951 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.495 -5.430 -4.189 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.453 -4.636 -5.061 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.250 -3.634 -4.244 1.00 0.00 C ATOM 1335 CE LYS A 90 -11.751 -2.485 -5.105 1.00 0.00 C ATOM 1336 NZ LYS A 90 -10.703 -1.444 -5.304 1.00 0.00 N ATOM 0 H LYS A 90 -7.739 -5.088 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.255 -7.187 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.037 -5.817 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.724 -4.760 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.892 -4.112 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.135 -5.318 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.097 -4.136 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.628 -3.242 -3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.070 -2.869 -6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.626 -2.035 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.714 -1.125 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.893 -0.636 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.769 -1.844 -5.080 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.306 -7.142 -6.762 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.317 -7.916 -7.472 1.00 0.00 C ATOM 1352 C GLU A 91 -10.819 -9.330 -7.756 1.00 0.00 C ATOM 1353 O GLU A 91 -11.593 -10.288 -7.742 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.693 -7.223 -8.783 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.551 -5.983 -8.592 1.00 0.00 C ATOM 1356 CD GLU A 91 -14.014 -6.314 -8.370 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -14.760 -6.402 -9.368 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.413 -6.486 -7.200 1.00 0.00 O ATOM 0 H GLU A 91 -9.962 -6.328 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.201 -7.981 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.781 -6.946 -9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.227 -7.930 -9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.178 -5.415 -7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.456 -5.342 -9.468 1.00 0.00 H new ATOM 1365 N THR A 92 -9.521 -9.454 -8.015 1.00 0.00 N ATOM 1366 CA THR A 92 -8.919 -10.749 -8.304 1.00 0.00 C ATOM 1367 C THR A 92 -8.670 -11.538 -7.023 1.00 0.00 C ATOM 1368 O THR A 92 -9.144 -12.664 -6.875 1.00 0.00 O ATOM 1369 CB THR A 92 -7.588 -10.593 -9.064 1.00 0.00 C ATOM 1370 OG1 THR A 92 -7.810 -9.918 -10.307 1.00 0.00 O ATOM 1371 CG2 THR A 92 -6.951 -11.950 -9.324 1.00 0.00 C ATOM 0 H THR A 92 -8.866 -8.672 -8.030 1.00 0.00 H new ATOM 0 HA THR A 92 -9.625 -11.293 -8.931 1.00 0.00 H new ATOM 0 HB THR A 92 -6.910 -10.003 -8.447 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.959 -9.821 -10.783 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.013 -11.814 -9.862 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.756 -12.449 -8.374 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.627 -12.561 -9.922 1.00 0.00 H new ATOM 1379 N ASP A 93 -7.925 -10.939 -6.101 1.00 0.00 N ATOM 1380 CA ASP A 93 -7.615 -11.586 -4.831 1.00 0.00 C ATOM 1381 C ASP A 93 -8.867 -12.203 -4.215 1.00 0.00 C ATOM 1382 O ASP A 93 -8.882 -13.382 -3.863 1.00 0.00 O ATOM 1383 CB ASP A 93 -6.996 -10.579 -3.860 1.00 0.00 C ATOM 1384 CG ASP A 93 -6.115 -11.244 -2.820 1.00 0.00 C ATOM 1385 OD1 ASP A 93 -6.659 -11.950 -1.945 1.00 0.00 O ATOM 1386 OD2 ASP A 93 -4.882 -11.059 -2.882 1.00 0.00 O ATOM 0 H ASP A 93 -7.525 -10.007 -6.209 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.897 -12.383 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.407 -9.853 -4.420 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.791 -10.026 -3.359 1.00 0.00 H new ATOM 1391 N LYS A 94 -9.915 -11.397 -4.087 1.00 0.00 N ATOM 1392 CA LYS A 94 -11.173 -11.862 -3.514 1.00 0.00 C ATOM 1393 C LYS A 94 -11.727 -13.044 -4.304 1.00 0.00 C ATOM 1394 O LYS A 94 -11.789 -13.006 -5.533 1.00 0.00 O ATOM 1395 CB LYS A 94 -12.198 -10.726 -3.490 1.00 0.00 C ATOM 1396 CG LYS A 94 -13.175 -10.813 -2.332 1.00 0.00 C ATOM 1397 CD LYS A 94 -12.658 -10.075 -1.108 1.00 0.00 C ATOM 1398 CE LYS A 94 -13.469 -10.414 0.132 1.00 0.00 C ATOM 1399 NZ LYS A 94 -12.742 -10.063 1.384 1.00 0.00 N ATOM 0 H LYS A 94 -9.918 -10.418 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.979 -12.189 -2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.671 -9.773 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.756 -10.732 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.135 -10.393 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.350 -11.859 -2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.612 -10.333 -0.941 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.697 -9.000 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.419 -9.880 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.702 -11.479 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.328 -10.310 2.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.847 -10.591 1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.542 -9.042 1.395 1.00 0.00 H new ATOM 1413 N ARG A 95 -12.129 -14.090 -3.591 1.00 0.00 N ATOM 1414 CA ARG A 95 -12.678 -15.282 -4.226 1.00 0.00 C ATOM 1415 C ARG A 95 -14.070 -15.595 -3.684 1.00 0.00 C ATOM 1416 O ARG A 95 -14.227 -16.425 -2.788 1.00 0.00 O ATOM 1417 CB ARG A 95 -11.751 -16.478 -4.001 1.00 0.00 C ATOM 1418 CG ARG A 95 -10.685 -16.632 -5.073 1.00 0.00 C ATOM 1419 CD ARG A 95 -11.280 -17.120 -6.385 1.00 0.00 C ATOM 1420 NE ARG A 95 -11.607 -18.543 -6.342 1.00 0.00 N ATOM 1421 CZ ARG A 95 -11.811 -19.283 -7.426 1.00 0.00 C ATOM 1422 NH1 ARG A 95 -11.722 -18.738 -8.631 1.00 0.00 N ATOM 1423 NH2 ARG A 95 -12.105 -20.571 -7.306 1.00 0.00 N ATOM 0 H ARG A 95 -12.085 -14.137 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 95 -12.758 -15.089 -5.296 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.266 -16.373 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -12.349 -17.388 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.186 -15.676 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.925 -17.335 -4.733 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.180 -16.548 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.574 -16.935 -7.194 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.683 -18.993 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.496 -17.748 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.879 -19.309 -9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.175 -20.994 -6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.261 -21.138 -8.139 1.00 0.00 H new ATOM 1437 N HIS A 96 -15.077 -14.924 -4.233 1.00 0.00 N ATOM 1438 CA HIS A 96 -16.456 -15.130 -3.805 1.00 0.00 C ATOM 1439 C HIS A 96 -17.414 -15.025 -4.988 1.00 0.00 C ATOM 1440 O HIS A 96 -17.470 -13.999 -5.666 1.00 0.00 O ATOM 1441 CB HIS A 96 -16.838 -14.108 -2.733 1.00 0.00 C ATOM 1442 CG HIS A 96 -16.538 -14.563 -1.339 1.00 0.00 C ATOM 1443 ND1 HIS A 96 -17.101 -15.690 -0.777 1.00 0.00 N ATOM 1444 CD2 HIS A 96 -15.726 -14.038 -0.391 1.00 0.00 C ATOM 1445 CE1 HIS A 96 -16.650 -15.836 0.456 1.00 0.00 C ATOM 1446 NE2 HIS A 96 -15.813 -14.847 0.715 1.00 0.00 N ATOM 0 H HIS A 96 -14.964 -14.233 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 96 -16.534 -16.133 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -16.306 -13.176 -2.925 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -17.903 -13.889 -2.814 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -15.122 -13.148 -0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -16.920 -16.630 1.137 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -15.313 -14.707 1.593 1.00 0.00 H new ATOM 1455 N VAL A 97 -18.165 -16.095 -5.232 1.00 0.00 N ATOM 1456 CA VAL A 97 -19.120 -16.123 -6.334 1.00 0.00 C ATOM 1457 C VAL A 97 -19.992 -14.872 -6.337 1.00 0.00 C ATOM 1458 O VAL A 97 -20.513 -14.464 -5.300 1.00 0.00 O ATOM 1459 CB VAL A 97 -20.026 -17.366 -6.259 1.00 0.00 C ATOM 1460 CG1 VAL A 97 -21.014 -17.377 -7.415 1.00 0.00 C ATOM 1461 CG2 VAL A 97 -19.188 -18.636 -6.250 1.00 0.00 C ATOM 0 H VAL A 97 -18.130 -16.953 -4.682 1.00 0.00 H new ATOM 0 HA VAL A 97 -18.539 -16.160 -7.256 1.00 0.00 H new ATOM 0 HB VAL A 97 -20.593 -17.326 -5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -21.646 -18.263 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -21.636 -16.483 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -20.469 -17.393 -8.359 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -19.844 -19.505 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.593 -18.686 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.525 -18.628 -5.385 1.00 0.00 H new ATOM 1471 N GLU A 98 -20.145 -14.268 -7.512 1.00 0.00 N ATOM 1472 CA GLU A 98 -20.954 -13.062 -7.650 1.00 0.00 C ATOM 1473 C GLU A 98 -21.886 -13.168 -8.853 1.00 0.00 C ATOM 1474 O GLU A 98 -21.728 -14.049 -9.698 1.00 0.00 O ATOM 1475 CB GLU A 98 -20.055 -11.832 -7.792 1.00 0.00 C ATOM 1476 CG GLU A 98 -19.219 -11.833 -9.061 1.00 0.00 C ATOM 1477 CD GLU A 98 -18.247 -10.671 -9.120 1.00 0.00 C ATOM 1478 OE1 GLU A 98 -18.659 -9.576 -9.558 1.00 0.00 O ATOM 1479 OE2 GLU A 98 -17.076 -10.855 -8.729 1.00 0.00 O ATOM 0 H GLU A 98 -19.720 -14.593 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 98 -21.561 -12.956 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -20.675 -10.935 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.391 -11.776 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -18.665 -12.769 -9.126 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.880 -11.793 -9.927 1.00 0.00 H new ATOM 1486 N GLN A 99 -22.857 -12.263 -8.923 1.00 0.00 N ATOM 1487 CA GLN A 99 -23.815 -12.254 -10.023 1.00 0.00 C ATOM 1488 C GLN A 99 -24.274 -13.670 -10.356 1.00 0.00 C ATOM 1489 O GLN A 99 -24.631 -13.967 -11.496 1.00 0.00 O ATOM 1490 CB GLN A 99 -23.197 -11.601 -11.260 1.00 0.00 C ATOM 1491 CG GLN A 99 -24.225 -11.136 -12.279 1.00 0.00 C ATOM 1492 CD GLN A 99 -25.190 -10.114 -11.710 1.00 0.00 C ATOM 1493 OE1 GLN A 99 -26.255 -10.466 -11.201 1.00 0.00 O ATOM 1494 NE2 GLN A 99 -24.822 -8.841 -11.793 1.00 0.00 N ATOM 0 H GLN A 99 -23.001 -11.527 -8.232 1.00 0.00 H new ATOM 0 HA GLN A 99 -24.684 -11.674 -9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -22.595 -10.748 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -22.521 -12.311 -11.736 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -23.710 -10.705 -13.138 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -24.786 -11.997 -12.642 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -23.930 -8.595 -12.223 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -25.431 -8.109 -11.427 1.00 0.00 H new ATOM 1503 N LYS A 100 -24.261 -14.542 -9.353 1.00 0.00 N ATOM 1504 CA LYS A 100 -24.676 -15.927 -9.538 1.00 0.00 C ATOM 1505 C LYS A 100 -26.104 -16.001 -10.070 1.00 0.00 C ATOM 1506 O LYS A 100 -26.840 -15.014 -10.039 1.00 0.00 O ATOM 1507 CB LYS A 100 -24.573 -16.693 -8.217 1.00 0.00 C ATOM 1508 CG LYS A 100 -25.571 -16.234 -7.168 1.00 0.00 C ATOM 1509 CD LYS A 100 -25.132 -14.936 -6.511 1.00 0.00 C ATOM 1510 CE LYS A 100 -25.814 -14.733 -5.167 1.00 0.00 C ATOM 1511 NZ LYS A 100 -27.205 -14.226 -5.322 1.00 0.00 N ATOM 0 H LYS A 100 -23.967 -14.313 -8.403 1.00 0.00 H new ATOM 0 HA LYS A 100 -24.010 -16.385 -10.269 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -24.724 -17.755 -8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -23.564 -16.582 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -26.549 -16.097 -7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -25.683 -17.008 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -24.051 -14.944 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -25.364 -14.098 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -25.830 -15.677 -4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -25.235 -14.029 -4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -27.635 -14.101 -4.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -27.188 -13.313 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -27.764 -14.910 -5.871 1.00 0.00 H new ATOM 1525 N SER A 101 -26.490 -17.177 -10.555 1.00 0.00 N ATOM 1526 CA SER A 101 -27.829 -17.378 -11.096 1.00 0.00 C ATOM 1527 C SER A 101 -28.363 -18.758 -10.725 1.00 0.00 C ATOM 1528 O SER A 101 -27.600 -19.713 -10.581 1.00 0.00 O ATOM 1529 CB SER A 101 -27.818 -17.214 -12.617 1.00 0.00 C ATOM 1530 OG SER A 101 -27.766 -15.846 -12.983 1.00 0.00 O ATOM 0 H SER A 101 -25.895 -18.005 -10.584 1.00 0.00 H new ATOM 0 HA SER A 101 -28.486 -16.625 -10.662 1.00 0.00 H new ATOM 0 HB2 SER A 101 -26.959 -17.738 -13.036 1.00 0.00 H new ATOM 0 HB3 SER A 101 -28.711 -17.673 -13.042 1.00 0.00 H new ATOM 0 HG SER A 101 -27.598 -15.300 -12.186 1.00 0.00 H new ATOM 1536 N GLY A 102 -29.680 -18.856 -10.573 1.00 0.00 N ATOM 1537 CA GLY A 102 -30.295 -20.122 -10.221 1.00 0.00 C ATOM 1538 C GLY A 102 -31.127 -20.697 -11.350 1.00 0.00 C ATOM 1539 O GLY A 102 -31.078 -20.228 -12.487 1.00 0.00 O ATOM 0 H GLY A 102 -30.332 -18.080 -10.688 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -29.518 -20.836 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -30.926 -19.984 -9.343 1.00 0.00 H new ATOM 1543 N PRO A 103 -31.913 -21.739 -11.040 1.00 0.00 N ATOM 1544 CA PRO A 103 -32.774 -22.401 -12.024 1.00 0.00 C ATOM 1545 C PRO A 103 -33.943 -21.523 -12.457 1.00 0.00 C ATOM 1546 O PRO A 103 -34.304 -21.489 -13.633 1.00 0.00 O ATOM 1547 CB PRO A 103 -33.281 -23.637 -11.276 1.00 0.00 C ATOM 1548 CG PRO A 103 -33.208 -23.265 -9.836 1.00 0.00 C ATOM 1549 CD PRO A 103 -32.022 -22.350 -9.704 1.00 0.00 C ATOM 0 HA PRO A 103 -32.238 -22.632 -12.944 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -34.301 -23.886 -11.569 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -32.665 -24.510 -11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -34.123 -22.767 -9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -33.090 -24.149 -9.210 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -32.178 -21.599 -8.930 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -31.119 -22.899 -9.438 1.00 0.00 H new ATOM 1557 N SER A 104 -34.530 -20.813 -11.498 1.00 0.00 N ATOM 1558 CA SER A 104 -35.661 -19.937 -11.780 1.00 0.00 C ATOM 1559 C SER A 104 -35.450 -19.182 -13.090 1.00 0.00 C ATOM 1560 O SER A 104 -34.360 -18.679 -13.361 1.00 0.00 O ATOM 1561 CB SER A 104 -35.862 -18.944 -10.634 1.00 0.00 C ATOM 1562 OG SER A 104 -36.226 -19.612 -9.439 1.00 0.00 O ATOM 0 H SER A 104 -34.241 -20.827 -10.520 1.00 0.00 H new ATOM 0 HA SER A 104 -36.553 -20.556 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.944 -18.379 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 104 -36.636 -18.225 -10.903 1.00 0.00 H new ATOM 0 HG SER A 104 -36.347 -18.956 -8.721 1.00 0.00 H new ATOM 1568 N SER A 105 -36.502 -19.109 -13.899 1.00 0.00 N ATOM 1569 CA SER A 105 -36.433 -18.420 -15.182 1.00 0.00 C ATOM 1570 C SER A 105 -37.742 -17.696 -15.481 1.00 0.00 C ATOM 1571 O SER A 105 -38.811 -18.112 -15.035 1.00 0.00 O ATOM 1572 CB SER A 105 -36.119 -19.413 -16.302 1.00 0.00 C ATOM 1573 OG SER A 105 -36.977 -20.539 -16.240 1.00 0.00 O ATOM 0 H SER A 105 -37.412 -19.519 -13.689 1.00 0.00 H new ATOM 0 HA SER A 105 -35.634 -17.681 -15.127 1.00 0.00 H new ATOM 0 HB2 SER A 105 -36.228 -18.922 -17.269 1.00 0.00 H new ATOM 0 HB3 SER A 105 -35.081 -19.738 -16.224 1.00 0.00 H new ATOM 0 HG SER A 105 -36.757 -21.158 -16.967 1.00 0.00 H new ATOM 1579 N GLY A 106 -37.650 -16.608 -16.241 1.00 0.00 N ATOM 1580 CA GLY A 106 -38.833 -15.843 -16.587 1.00 0.00 C ATOM 1581 C GLY A 106 -39.218 -14.850 -15.508 1.00 0.00 C ATOM 1582 O GLY A 106 -39.665 -15.238 -14.429 1.00 0.00 O ATOM 0 H GLY A 106 -36.777 -16.244 -16.623 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -38.657 -15.310 -17.521 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -39.665 -16.525 -16.762 1.00 0.00 H new TER 1586 GLY A 106