USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 462 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 29 CYS SG : rot 140:sc= -0.0839 USER MOD Set 1.2: A 38 CYS SG : rot 165:sc= 1.57 USER MOD Set 1.3: A 74 CYS SG : rot -133:sc= 1.2 USER MOD Set 1.4: A 77 HIS : no HD1:sc= 1.74 K(o=4.4,f=-7!) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -162:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 57 GLN : amide:sc= 0.986 K(o=2.2,f=-6.3) USER MOD Single : A 27 GLN : amide:sc= -0.897 X(o=-0.9,f=-0.98) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 174:sc= 0 USER MOD Single : A 44 ASN : amide:sc=-0.000748 K(o=-0.00075,f=-1.1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.045 K(o=-0.045,f=-1.6!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= -0.476 (180deg=-0.765) USER MOD Single : A 59 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0135) USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= 0.128 (180deg=-1.72!) USER MOD Single : A 66 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.448) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.72) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -105:sc= 1.23 (180deg=0.0257) USER MOD Single : A 79 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.3) USER MOD Single : A 82 GLN : amide:sc= -0.324 K(o=-0.32,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.279 8.055 -7.954 1.00 0.00 N ATOM 48 CA GLN A 27 -3.101 9.490 -7.782 1.00 0.00 C ATOM 49 C GLN A 27 -4.231 10.073 -6.909 1.00 0.00 C ATOM 50 O GLN A 27 -5.406 9.726 -7.043 1.00 0.00 O ATOM 51 CB GLN A 27 -2.959 10.175 -9.157 1.00 0.00 C ATOM 52 CG GLN A 27 -4.180 10.080 -10.093 1.00 0.00 C ATOM 53 CD GLN A 27 -4.573 8.659 -10.510 1.00 0.00 C ATOM 54 OE1 GLN A 27 -3.754 7.841 -10.890 1.00 0.00 O ATOM 55 NE2 GLN A 27 -5.825 8.279 -10.367 1.00 0.00 N ATOM 0 HA GLN A 27 -2.174 9.689 -7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.734 11.229 -8.993 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.100 9.741 -9.669 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.033 10.546 -9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.975 10.662 -10.992 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.528 8.947 -10.050 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.093 7.317 -10.573 1.00 0.00 H new ATOM 64 N SER A 28 -3.840 10.975 -6.011 1.00 0.00 N ATOM 65 CA SER A 28 -4.660 11.744 -5.063 1.00 0.00 C ATOM 66 C SER A 28 -4.201 13.204 -5.049 1.00 0.00 C ATOM 67 O SER A 28 -3.182 13.527 -5.675 1.00 0.00 O ATOM 68 CB SER A 28 -4.570 11.145 -3.650 1.00 0.00 C ATOM 69 OG SER A 28 -3.215 11.007 -3.259 1.00 0.00 O ATOM 0 H SER A 28 -2.852 11.211 -5.916 1.00 0.00 H new ATOM 0 HA SER A 28 -5.700 11.697 -5.385 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.096 11.785 -2.942 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.063 10.173 -3.628 1.00 0.00 H new ATOM 0 HG SER A 28 -3.172 10.626 -2.357 1.00 0.00 H new ATOM 75 N CYS A 29 -4.963 14.067 -4.369 1.00 0.00 N ATOM 76 CA CYS A 29 -4.723 15.509 -4.248 1.00 0.00 C ATOM 77 C CYS A 29 -3.304 15.876 -3.716 1.00 0.00 C ATOM 78 O CYS A 29 -2.514 15.037 -3.259 1.00 0.00 O ATOM 79 CB CYS A 29 -5.890 16.105 -3.423 1.00 0.00 C ATOM 80 SG CYS A 29 -6.158 17.881 -3.747 1.00 0.00 S ATOM 0 H CYS A 29 -5.799 13.767 -3.867 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.714 15.963 -5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.805 15.558 -3.650 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.688 15.961 -2.362 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.434 18.125 -3.801 1.00 0.00 H new ATOM 85 N CYS A 30 -2.966 17.163 -3.776 1.00 0.00 N ATOM 86 CA CYS A 30 -1.697 17.720 -3.283 1.00 0.00 C ATOM 87 C CYS A 30 -1.877 19.015 -2.492 1.00 0.00 C ATOM 88 O CYS A 30 -0.890 19.592 -2.032 1.00 0.00 O ATOM 89 CB CYS A 30 -0.717 17.938 -4.452 1.00 0.00 C ATOM 90 SG CYS A 30 -0.975 19.525 -5.313 1.00 0.00 S ATOM 0 H CYS A 30 -3.581 17.870 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.283 16.987 -2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.305 17.898 -4.074 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.825 17.122 -5.166 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.037 19.697 -6.197 1.00 0.00 H new ATOM 96 N LEU A 31 -3.115 19.490 -2.389 1.00 0.00 N ATOM 97 CA LEU A 31 -3.460 20.742 -1.733 1.00 0.00 C ATOM 98 C LEU A 31 -3.613 20.518 -0.223 1.00 0.00 C ATOM 99 O LEU A 31 -3.831 19.394 0.236 1.00 0.00 O ATOM 100 CB LEU A 31 -4.728 21.299 -2.408 1.00 0.00 C ATOM 101 CG LEU A 31 -4.498 21.638 -3.899 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.825 21.809 -4.625 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.685 22.911 -4.115 1.00 0.00 C ATOM 0 H LEU A 31 -3.925 19.000 -2.770 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.670 21.485 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.533 20.569 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.054 22.195 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.933 20.796 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.639 22.047 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.397 20.884 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.390 22.619 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.562 23.088 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.206 23.756 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.705 22.800 -3.651 1.00 0.00 H new ATOM 115 N ILE A 32 -3.480 21.594 0.547 1.00 0.00 N ATOM 116 CA ILE A 32 -3.483 21.588 2.012 1.00 0.00 C ATOM 117 C ILE A 32 -4.331 22.755 2.466 1.00 0.00 C ATOM 118 O ILE A 32 -3.961 23.892 2.185 1.00 0.00 O ATOM 119 CB ILE A 32 -2.050 21.749 2.574 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.147 20.602 2.086 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.087 21.840 4.114 1.00 0.00 C ATOM 122 CD1 ILE A 32 0.223 20.511 2.768 1.00 0.00 C ATOM 0 H ILE A 32 -3.363 22.529 0.157 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.879 20.640 2.375 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.622 22.679 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.673 19.659 2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.993 20.714 1.013 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.073 21.953 4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.686 22.700 4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.529 20.931 4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.781 19.671 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.777 21.434 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.087 20.363 3.839 1.00 0.00 H new ATOM 134 N GLU A 33 -5.419 22.503 3.186 1.00 0.00 N ATOM 135 CA GLU A 33 -6.322 23.575 3.615 1.00 0.00 C ATOM 136 C GLU A 33 -6.340 23.695 5.136 1.00 0.00 C ATOM 137 O GLU A 33 -6.673 22.767 5.867 1.00 0.00 O ATOM 138 CB GLU A 33 -7.701 23.465 2.947 1.00 0.00 C ATOM 139 CG GLU A 33 -8.306 24.881 2.846 1.00 0.00 C ATOM 140 CD GLU A 33 -9.190 25.144 1.626 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.509 24.186 0.878 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.465 26.349 1.398 1.00 0.00 O ATOM 0 H GLU A 33 -5.700 21.570 3.486 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.935 24.530 3.260 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.608 23.020 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.354 22.814 3.529 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.894 25.069 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.490 25.604 2.842 1.00 0.00 H new ATOM 149 N ASP A 34 -5.852 24.843 5.606 1.00 0.00 N ATOM 150 CA ASP A 34 -5.598 25.207 7.018 1.00 0.00 C ATOM 151 C ASP A 34 -4.630 24.250 7.762 1.00 0.00 C ATOM 152 O ASP A 34 -4.353 24.420 8.947 1.00 0.00 O ATOM 153 CB ASP A 34 -6.938 25.449 7.747 1.00 0.00 C ATOM 154 CG ASP A 34 -7.005 26.730 8.585 1.00 0.00 C ATOM 155 OD1 ASP A 34 -6.135 27.627 8.468 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.081 27.002 9.166 1.00 0.00 O ATOM 0 H ASP A 34 -5.603 25.603 4.973 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.046 26.147 7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.736 25.477 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.138 24.598 8.398 1.00 0.00 H new ATOM 161 N GLY A 35 -4.082 23.264 7.041 1.00 0.00 N ATOM 162 CA GLY A 35 -3.157 22.218 7.484 1.00 0.00 C ATOM 163 C GLY A 35 -3.641 20.807 7.132 1.00 0.00 C ATOM 164 O GLY A 35 -2.840 19.871 7.138 1.00 0.00 O ATOM 0 H GLY A 35 -4.294 23.171 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.181 22.386 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.022 22.292 8.563 1.00 0.00 H new ATOM 168 N GLU A 36 -4.919 20.638 6.771 1.00 0.00 N ATOM 169 CA GLU A 36 -5.453 19.361 6.301 1.00 0.00 C ATOM 170 C GLU A 36 -4.947 19.047 4.887 1.00 0.00 C ATOM 171 O GLU A 36 -5.424 19.598 3.892 1.00 0.00 O ATOM 172 CB GLU A 36 -6.992 19.315 6.369 1.00 0.00 C ATOM 173 CG GLU A 36 -7.480 17.923 5.903 1.00 0.00 C ATOM 174 CD GLU A 36 -8.838 17.491 6.477 1.00 0.00 C ATOM 175 OE1 GLU A 36 -8.815 16.832 7.543 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.876 17.747 5.823 1.00 0.00 O ATOM 0 H GLU A 36 -5.611 21.387 6.798 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.085 18.587 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.329 19.510 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.419 20.094 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.544 17.922 4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.732 17.180 6.179 1.00 0.00 H new ATOM 183 N ARG A 37 -3.933 18.174 4.804 1.00 0.00 N ATOM 184 CA ARG A 37 -3.407 17.643 3.541 1.00 0.00 C ATOM 185 C ARG A 37 -4.482 16.781 2.880 1.00 0.00 C ATOM 186 O ARG A 37 -4.595 15.593 3.191 1.00 0.00 O ATOM 187 CB ARG A 37 -2.083 16.886 3.786 1.00 0.00 C ATOM 188 CG ARG A 37 -1.171 16.718 2.552 1.00 0.00 C ATOM 189 CD ARG A 37 -1.810 16.121 1.287 1.00 0.00 C ATOM 190 NE ARG A 37 -2.258 14.734 1.463 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.530 13.635 1.518 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.232 13.620 1.435 1.00 0.00 N ATOM 193 NH2 ARG A 37 -2.110 12.478 1.656 1.00 0.00 N ATOM 0 H ARG A 37 -3.449 17.812 5.626 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.167 18.454 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.523 17.411 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.318 15.897 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.764 17.696 2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.329 16.087 2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.661 16.736 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.089 16.162 0.470 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.265 14.603 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.282 14.494 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.272 12.735 1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.126 12.422 1.721 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.548 11.628 1.699 1.00 0.00 H new ATOM 207 N CYS A 38 -5.231 17.382 1.961 1.00 0.00 N ATOM 208 CA CYS A 38 -6.303 16.772 1.187 1.00 0.00 C ATOM 209 C CYS A 38 -5.920 15.368 0.689 1.00 0.00 C ATOM 210 O CYS A 38 -4.817 15.129 0.192 1.00 0.00 O ATOM 211 CB CYS A 38 -6.636 17.743 0.058 1.00 0.00 C ATOM 212 SG CYS A 38 -8.242 17.339 -0.693 1.00 0.00 S ATOM 0 H CYS A 38 -5.097 18.365 1.724 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.188 16.608 1.801 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.657 18.762 0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.855 17.705 -0.702 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.647 18.340 -1.417 1.00 0.00 H new ATOM 217 N VAL A 39 -6.829 14.412 0.846 1.00 0.00 N ATOM 218 CA VAL A 39 -6.589 12.984 0.550 1.00 0.00 C ATOM 219 C VAL A 39 -7.585 12.394 -0.441 1.00 0.00 C ATOM 220 O VAL A 39 -7.561 11.193 -0.709 1.00 0.00 O ATOM 221 CB VAL A 39 -6.520 12.146 1.840 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.330 12.552 2.712 1.00 0.00 C ATOM 223 CG2 VAL A 39 -7.792 12.284 2.675 1.00 0.00 C ATOM 0 H VAL A 39 -7.772 14.599 1.187 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.616 12.940 0.061 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.405 11.111 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.314 11.939 3.613 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.404 12.404 2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.423 13.602 2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.703 11.677 3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.933 13.328 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.648 11.945 2.092 1.00 0.00 H new ATOM 233 N ARG A 40 -8.451 13.238 -1.007 1.00 0.00 N ATOM 234 CA ARG A 40 -9.383 12.847 -2.065 1.00 0.00 C ATOM 235 C ARG A 40 -8.624 12.288 -3.286 1.00 0.00 C ATOM 236 O ARG A 40 -7.493 12.716 -3.560 1.00 0.00 O ATOM 237 CB ARG A 40 -10.240 14.061 -2.445 1.00 0.00 C ATOM 238 CG ARG A 40 -11.336 14.362 -1.417 1.00 0.00 C ATOM 239 CD ARG A 40 -12.222 15.523 -1.892 1.00 0.00 C ATOM 240 NE ARG A 40 -13.514 15.533 -1.176 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.574 14.804 -1.484 1.00 0.00 C ATOM 242 NH1 ARG A 40 -14.701 14.209 -2.641 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.533 14.658 -0.609 1.00 0.00 N ATOM 0 H ARG A 40 -8.525 14.220 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.035 12.051 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.597 14.935 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.699 13.885 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.947 13.473 -1.258 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.883 14.613 -0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.705 16.469 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.397 15.436 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.596 16.157 -0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.967 14.298 -3.344 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.534 13.655 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.462 15.105 0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.353 14.097 -0.840 1.00 0.00 H new ATOM 257 N PRO A 41 -9.223 11.334 -4.025 1.00 0.00 N ATOM 258 CA PRO A 41 -8.635 10.802 -5.249 1.00 0.00 C ATOM 259 C PRO A 41 -8.509 11.915 -6.294 1.00 0.00 C ATOM 260 O PRO A 41 -9.344 12.814 -6.347 1.00 0.00 O ATOM 261 CB PRO A 41 -9.583 9.685 -5.704 1.00 0.00 C ATOM 262 CG PRO A 41 -10.940 10.127 -5.158 1.00 0.00 C ATOM 263 CD PRO A 41 -10.575 10.816 -3.845 1.00 0.00 C ATOM 0 HA PRO A 41 -7.628 10.412 -5.099 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.599 9.589 -6.790 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.285 8.717 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.448 10.806 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.606 9.279 -4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.274 11.621 -3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.616 10.115 -3.012 1.00 0.00 H new ATOM 271 N ALA A 42 -7.476 11.853 -7.132 1.00 0.00 N ATOM 272 CA ALA A 42 -7.284 12.808 -8.216 1.00 0.00 C ATOM 273 C ALA A 42 -7.811 12.206 -9.525 1.00 0.00 C ATOM 274 O ALA A 42 -7.449 11.089 -9.909 1.00 0.00 O ATOM 275 CB ALA A 42 -5.813 13.224 -8.285 1.00 0.00 C ATOM 0 H ALA A 42 -6.750 11.139 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.855 13.719 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.674 13.938 -9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.521 13.686 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.194 12.345 -8.465 1.00 0.00 H new ATOM 281 N GLY A 43 -8.672 12.960 -10.210 1.00 0.00 N ATOM 282 CA GLY A 43 -9.365 12.528 -11.421 1.00 0.00 C ATOM 283 C GLY A 43 -9.716 13.716 -12.315 1.00 0.00 C ATOM 284 O GLY A 43 -10.500 14.586 -11.941 1.00 0.00 O ATOM 0 H GLY A 43 -8.911 13.911 -9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.736 11.829 -11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.275 11.993 -11.150 1.00 0.00 H new ATOM 288 N ASN A 44 -9.118 13.751 -13.509 1.00 0.00 N ATOM 289 CA ASN A 44 -9.273 14.839 -14.485 1.00 0.00 C ATOM 290 C ASN A 44 -9.073 16.245 -13.859 1.00 0.00 C ATOM 291 O ASN A 44 -9.937 17.128 -13.957 1.00 0.00 O ATOM 292 CB ASN A 44 -10.606 14.636 -15.240 1.00 0.00 C ATOM 293 CG ASN A 44 -10.723 15.486 -16.494 1.00 0.00 C ATOM 294 OD1 ASN A 44 -9.792 16.130 -16.935 1.00 0.00 O ATOM 295 ND2 ASN A 44 -11.873 15.492 -17.129 1.00 0.00 N ATOM 0 H ASN A 44 -8.498 13.008 -13.833 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.472 14.795 -15.223 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.705 13.585 -15.512 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.434 14.872 -14.571 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.980 16.035 -17.986 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -12.659 14.954 -16.765 1.00 0.00 H new ATOM 302 N ALA A 45 -7.963 16.411 -13.128 1.00 0.00 N ATOM 303 CA ALA A 45 -7.556 17.651 -12.466 1.00 0.00 C ATOM 304 C ALA A 45 -6.031 17.673 -12.191 1.00 0.00 C ATOM 305 O ALA A 45 -5.424 16.640 -11.905 1.00 0.00 O ATOM 306 CB ALA A 45 -8.336 17.773 -11.144 1.00 0.00 C ATOM 0 H ALA A 45 -7.299 15.652 -12.977 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.779 18.495 -13.119 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.047 18.692 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.405 17.795 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.109 16.918 -10.507 1.00 0.00 H new ATOM 312 N SER A 46 -5.412 18.854 -12.263 1.00 0.00 N ATOM 313 CA SER A 46 -4.004 19.100 -11.906 1.00 0.00 C ATOM 314 C SER A 46 -3.797 20.566 -11.480 1.00 0.00 C ATOM 315 O SER A 46 -4.701 21.395 -11.596 1.00 0.00 O ATOM 316 CB SER A 46 -3.025 18.722 -13.037 1.00 0.00 C ATOM 317 OG SER A 46 -3.298 19.409 -14.247 1.00 0.00 O ATOM 0 H SER A 46 -5.890 19.697 -12.582 1.00 0.00 H new ATOM 0 HA SER A 46 -3.778 18.448 -11.062 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.006 18.944 -12.720 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.077 17.648 -13.214 1.00 0.00 H new ATOM 0 HG SER A 46 -2.651 19.137 -14.931 1.00 0.00 H new ATOM 323 N PHE A 47 -2.593 20.890 -11.002 1.00 0.00 N ATOM 324 CA PHE A 47 -2.211 22.197 -10.453 1.00 0.00 C ATOM 325 C PHE A 47 -1.132 22.906 -11.294 1.00 0.00 C ATOM 326 O PHE A 47 -0.047 23.260 -10.831 1.00 0.00 O ATOM 327 CB PHE A 47 -1.829 22.039 -8.975 1.00 0.00 C ATOM 328 CG PHE A 47 -1.819 23.352 -8.223 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.971 24.158 -8.214 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.662 23.780 -7.548 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.956 25.401 -7.565 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.669 24.999 -6.852 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.814 25.813 -6.863 1.00 0.00 C ATOM 0 H PHE A 47 -1.823 20.221 -10.986 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.072 22.863 -10.507 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.531 21.357 -8.495 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.842 21.580 -8.907 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.870 23.819 -8.708 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.230 23.172 -7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.825 26.042 -7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.209 25.312 -6.306 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.815 26.754 -6.332 1.00 0.00 H new ATOM 343 N SER A 48 -1.426 23.085 -12.582 1.00 0.00 N ATOM 344 CA SER A 48 -0.566 23.827 -13.518 1.00 0.00 C ATOM 345 C SER A 48 -0.390 25.303 -13.116 1.00 0.00 C ATOM 346 O SER A 48 -1.247 25.888 -12.455 1.00 0.00 O ATOM 347 CB SER A 48 -1.157 23.746 -14.929 1.00 0.00 C ATOM 348 OG SER A 48 -1.071 22.431 -15.430 1.00 0.00 O ATOM 0 H SER A 48 -2.274 22.718 -13.013 1.00 0.00 H new ATOM 0 HA SER A 48 0.420 23.364 -13.490 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.199 24.066 -14.911 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.625 24.429 -15.591 1.00 0.00 H new ATOM 0 HG SER A 48 -1.455 22.399 -16.331 1.00 0.00 H new ATOM 354 N LYS A 49 0.653 25.971 -13.633 1.00 0.00 N ATOM 355 CA LYS A 49 0.932 27.416 -13.420 1.00 0.00 C ATOM 356 C LYS A 49 -0.271 28.350 -13.656 1.00 0.00 C ATOM 357 O LYS A 49 -0.447 29.341 -12.951 1.00 0.00 O ATOM 358 CB LYS A 49 2.153 27.839 -14.252 1.00 0.00 C ATOM 359 CG LYS A 49 3.432 27.335 -13.562 1.00 0.00 C ATOM 360 CD LYS A 49 4.634 27.211 -14.497 1.00 0.00 C ATOM 361 CE LYS A 49 5.193 28.562 -14.969 1.00 0.00 C ATOM 362 NZ LYS A 49 6.408 28.389 -15.811 1.00 0.00 N ATOM 0 H LYS A 49 1.348 25.518 -14.227 1.00 0.00 H new ATOM 0 HA LYS A 49 1.152 27.531 -12.359 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.082 27.428 -15.259 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.182 28.924 -14.352 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.686 28.015 -12.749 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.231 26.362 -13.113 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.424 26.659 -13.987 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.346 26.623 -15.368 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.429 29.094 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.434 29.179 -14.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.758 29.321 -16.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.145 27.903 -15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.171 27.821 -16.650 1.00 0.00 H new ATOM 376 N ARG A 50 -1.131 28.021 -14.632 1.00 0.00 N ATOM 377 CA ARG A 50 -2.383 28.749 -14.935 1.00 0.00 C ATOM 378 C ARG A 50 -3.441 28.657 -13.819 1.00 0.00 C ATOM 379 O ARG A 50 -4.263 29.561 -13.705 1.00 0.00 O ATOM 380 CB ARG A 50 -2.942 28.232 -16.278 1.00 0.00 C ATOM 381 CG ARG A 50 -4.005 29.138 -16.927 1.00 0.00 C ATOM 382 CD ARG A 50 -3.416 30.449 -17.476 1.00 0.00 C ATOM 383 NE ARG A 50 -4.478 31.322 -18.014 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.356 32.257 -18.943 1.00 0.00 C ATOM 385 NH1 ARG A 50 -3.225 32.526 -19.530 1.00 0.00 N ATOM 386 NH2 ARG A 50 -5.395 32.955 -19.308 1.00 0.00 N ATOM 0 H ARG A 50 -0.976 27.224 -15.249 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.141 29.809 -15.006 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.114 28.109 -16.977 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.375 27.244 -16.119 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.492 28.596 -17.738 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.775 29.371 -16.192 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.879 30.970 -16.684 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.692 30.226 -18.260 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.412 31.190 -17.626 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.384 32.006 -19.279 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.180 33.256 -20.241 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.303 32.781 -18.878 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.300 33.675 -20.024 1.00 0.00 H new ATOM 400 N VAL A 51 -3.392 27.593 -13.013 1.00 0.00 N ATOM 401 CA VAL A 51 -4.251 27.317 -11.847 1.00 0.00 C ATOM 402 C VAL A 51 -3.665 27.971 -10.591 1.00 0.00 C ATOM 403 O VAL A 51 -4.402 28.647 -9.874 1.00 0.00 O ATOM 404 CB VAL A 51 -4.410 25.790 -11.624 1.00 0.00 C ATOM 405 CG1 VAL A 51 -5.470 25.492 -10.564 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.827 25.063 -12.910 1.00 0.00 C ATOM 0 H VAL A 51 -2.709 26.851 -13.163 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.236 27.740 -12.044 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.433 25.433 -11.298 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.558 24.414 -10.431 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.179 25.952 -9.620 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.430 25.897 -10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.927 23.996 -12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.782 25.458 -13.258 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.069 25.218 -13.678 1.00 0.00 H new ATOM 416 N GLN A 52 -2.343 27.872 -10.377 1.00 0.00 N ATOM 417 CA GLN A 52 -1.626 28.525 -9.263 1.00 0.00 C ATOM 418 C GLN A 52 -2.020 29.995 -9.091 1.00 0.00 C ATOM 419 O GLN A 52 -2.435 30.420 -8.009 1.00 0.00 O ATOM 420 CB GLN A 52 -0.103 28.483 -9.492 1.00 0.00 C ATOM 421 CG GLN A 52 0.556 27.132 -9.242 1.00 0.00 C ATOM 422 CD GLN A 52 2.070 27.247 -9.376 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.653 27.015 -10.424 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.763 27.673 -8.340 1.00 0.00 N ATOM 0 H GLN A 52 -1.729 27.327 -10.982 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.904 27.969 -8.367 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.102 28.784 -10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.366 29.223 -8.843 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.299 26.774 -8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.176 26.398 -9.953 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.291 27.871 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.771 27.805 -8.420 1.00 0.00 H new ATOM 433 N LYS A 53 -1.929 30.774 -10.180 1.00 0.00 N ATOM 434 CA LYS A 53 -2.251 32.213 -10.176 1.00 0.00 C ATOM 435 C LYS A 53 -3.674 32.499 -9.716 1.00 0.00 C ATOM 436 O LYS A 53 -3.922 33.576 -9.184 1.00 0.00 O ATOM 437 CB LYS A 53 -1.954 32.862 -11.543 1.00 0.00 C ATOM 438 CG LYS A 53 -2.995 32.629 -12.659 1.00 0.00 C ATOM 439 CD LYS A 53 -4.160 33.637 -12.723 1.00 0.00 C ATOM 440 CE LYS A 53 -3.685 35.056 -13.058 1.00 0.00 C ATOM 441 NZ LYS A 53 -4.808 36.019 -13.033 1.00 0.00 N ATOM 0 H LYS A 53 -1.630 30.425 -11.091 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.594 32.674 -9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.849 33.937 -11.394 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.990 32.493 -11.893 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.478 32.642 -13.618 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.413 31.630 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.879 33.310 -13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.681 33.647 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.922 35.365 -12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.219 35.063 -14.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.537 36.882 -13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.641 35.593 -13.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.037 36.260 -12.047 1.00 0.00 H new ATOM 455 N SER A 54 -4.606 31.572 -9.948 1.00 0.00 N ATOM 456 CA SER A 54 -6.019 31.746 -9.595 1.00 0.00 C ATOM 457 C SER A 54 -6.206 31.712 -8.074 1.00 0.00 C ATOM 458 O SER A 54 -7.018 32.450 -7.520 1.00 0.00 O ATOM 459 CB SER A 54 -6.869 30.645 -10.254 1.00 0.00 C ATOM 460 OG SER A 54 -8.218 31.048 -10.421 1.00 0.00 O ATOM 0 H SER A 54 -4.402 30.675 -10.388 1.00 0.00 H new ATOM 0 HA SER A 54 -6.347 32.718 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.443 30.390 -11.225 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.832 29.743 -9.643 1.00 0.00 H new ATOM 0 HG SER A 54 -8.726 30.324 -10.844 1.00 0.00 H new ATOM 466 N ILE A 55 -5.411 30.884 -7.387 1.00 0.00 N ATOM 467 CA ILE A 55 -5.377 30.818 -5.921 1.00 0.00 C ATOM 468 C ILE A 55 -4.619 32.029 -5.377 1.00 0.00 C ATOM 469 O ILE A 55 -5.103 32.718 -4.478 1.00 0.00 O ATOM 470 CB ILE A 55 -4.702 29.509 -5.461 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.436 28.306 -6.093 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.680 29.425 -3.924 1.00 0.00 C ATOM 473 CD1 ILE A 55 -5.083 26.983 -5.424 1.00 0.00 C ATOM 0 H ILE A 55 -4.767 30.234 -7.837 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.396 30.831 -5.535 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.665 29.492 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.512 28.466 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.187 28.250 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.200 28.495 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.123 30.271 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.701 29.449 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.628 26.173 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.012 26.804 -5.514 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.357 27.024 -4.370 1.00 0.00 H new ATOM 485 N SER A 56 -3.445 32.310 -5.952 1.00 0.00 N ATOM 486 CA SER A 56 -2.549 33.381 -5.504 1.00 0.00 C ATOM 487 C SER A 56 -3.209 34.760 -5.561 1.00 0.00 C ATOM 488 O SER A 56 -3.160 35.500 -4.581 1.00 0.00 O ATOM 489 CB SER A 56 -1.287 33.377 -6.361 1.00 0.00 C ATOM 490 OG SER A 56 -0.252 34.078 -5.710 1.00 0.00 O ATOM 0 H SER A 56 -3.085 31.792 -6.754 1.00 0.00 H new ATOM 0 HA SER A 56 -2.301 33.187 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.974 32.351 -6.555 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.494 33.836 -7.328 1.00 0.00 H new ATOM 0 HG SER A 56 0.553 34.067 -6.269 1.00 0.00 H new ATOM 496 N GLN A 57 -3.888 35.095 -6.665 1.00 0.00 N ATOM 497 CA GLN A 57 -4.643 36.351 -6.816 1.00 0.00 C ATOM 498 C GLN A 57 -5.875 36.436 -5.888 1.00 0.00 C ATOM 499 O GLN A 57 -6.496 37.491 -5.776 1.00 0.00 O ATOM 500 CB GLN A 57 -5.013 36.531 -8.299 1.00 0.00 C ATOM 501 CG GLN A 57 -5.596 37.921 -8.613 1.00 0.00 C ATOM 502 CD GLN A 57 -5.643 38.233 -10.105 1.00 0.00 C ATOM 503 OE1 GLN A 57 -5.830 37.376 -10.960 1.00 0.00 O ATOM 504 NE2 GLN A 57 -5.435 39.474 -10.489 1.00 0.00 N ATOM 0 H GLN A 57 -3.931 34.496 -7.490 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.005 37.177 -6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.125 36.370 -8.911 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.738 35.768 -8.581 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.604 37.985 -8.204 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.998 38.680 -8.109 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.277 40.203 -9.794 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.432 39.707 -11.482 1.00 0.00 H new ATOM 513 N LYS A 58 -6.204 35.349 -5.179 1.00 0.00 N ATOM 514 CA LYS A 58 -7.276 35.271 -4.171 1.00 0.00 C ATOM 515 C LYS A 58 -6.753 34.930 -2.762 1.00 0.00 C ATOM 516 O LYS A 58 -7.556 34.595 -1.890 1.00 0.00 O ATOM 517 CB LYS A 58 -8.344 34.280 -4.664 1.00 0.00 C ATOM 518 CG LYS A 58 -9.746 34.701 -4.188 1.00 0.00 C ATOM 519 CD LYS A 58 -10.839 33.745 -4.680 1.00 0.00 C ATOM 520 CE LYS A 58 -10.720 32.330 -4.098 1.00 0.00 C ATOM 521 NZ LYS A 58 -10.965 32.318 -2.635 1.00 0.00 N ATOM 0 H LYS A 58 -5.713 34.463 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.728 36.257 -4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.325 34.231 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.116 33.280 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.762 34.737 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.961 35.709 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.814 34.156 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.798 33.687 -5.768 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.434 31.672 -4.592 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.726 31.934 -4.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.078 31.337 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.158 32.754 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.830 32.855 -2.424 1.00 0.00 H new ATOM 535 N LYS A 59 -5.423 34.995 -2.573 1.00 0.00 N ATOM 536 CA LYS A 59 -4.626 34.832 -1.337 1.00 0.00 C ATOM 537 C LYS A 59 -5.231 33.870 -0.296 1.00 0.00 C ATOM 538 O LYS A 59 -5.374 34.213 0.878 1.00 0.00 O ATOM 539 CB LYS A 59 -4.278 36.236 -0.801 1.00 0.00 C ATOM 540 CG LYS A 59 -3.017 36.226 0.083 1.00 0.00 C ATOM 541 CD LYS A 59 -2.546 37.638 0.471 1.00 0.00 C ATOM 542 CE LYS A 59 -3.563 38.429 1.307 1.00 0.00 C ATOM 543 NZ LYS A 59 -3.828 37.784 2.618 1.00 0.00 N ATOM 0 H LYS A 59 -4.811 35.183 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.700 34.312 -1.583 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.126 36.916 -1.640 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.120 36.622 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.219 35.654 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.213 35.713 -0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.615 37.558 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.324 38.198 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.190 39.440 1.469 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.497 38.519 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.480 38.376 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.255 36.848 2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.934 37.675 3.138 1.00 0.00 H new ATOM 557 N LEU A 60 -5.639 32.696 -0.783 1.00 0.00 N ATOM 558 CA LEU A 60 -6.310 31.612 -0.051 1.00 0.00 C ATOM 559 C LEU A 60 -5.400 30.921 0.987 1.00 0.00 C ATOM 560 O LEU A 60 -4.177 31.011 0.912 1.00 0.00 O ATOM 561 CB LEU A 60 -6.804 30.587 -1.102 1.00 0.00 C ATOM 562 CG LEU A 60 -8.269 30.719 -1.539 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.558 29.776 -2.716 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.226 30.389 -0.390 1.00 0.00 C ATOM 0 H LEU A 60 -5.501 32.459 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.136 32.035 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.173 30.672 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.655 29.585 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.429 31.754 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.601 29.879 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.911 30.032 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.368 28.747 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.255 30.492 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.055 29.365 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.049 31.074 0.439 1.00 0.00 H new ATOM 576 N LYS A 61 -6.006 30.186 1.931 1.00 0.00 N ATOM 577 CA LYS A 61 -5.308 29.348 2.930 1.00 0.00 C ATOM 578 C LYS A 61 -5.003 27.945 2.366 1.00 0.00 C ATOM 579 O LYS A 61 -5.290 26.951 3.027 1.00 0.00 O ATOM 580 CB LYS A 61 -6.112 29.268 4.252 1.00 0.00 C ATOM 581 CG LYS A 61 -6.170 30.593 5.029 1.00 0.00 C ATOM 582 CD LYS A 61 -6.500 30.364 6.514 1.00 0.00 C ATOM 583 CE LYS A 61 -7.899 29.786 6.761 1.00 0.00 C ATOM 584 NZ LYS A 61 -8.078 29.488 8.200 1.00 0.00 N ATOM 0 H LYS A 61 -7.021 30.154 2.027 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.353 29.823 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.129 28.945 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.668 28.504 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.213 31.108 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.923 31.244 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.759 29.688 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.411 31.311 7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.658 30.496 6.431 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.035 28.878 6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.733 28.687 8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.159 29.244 8.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.469 30.323 8.681 1.00 0.00 H new ATOM 598 N LEU A 62 -4.468 27.875 1.142 1.00 0.00 N ATOM 599 CA LEU A 62 -4.236 26.618 0.421 1.00 0.00 C ATOM 600 C LEU A 62 -2.747 26.436 0.083 1.00 0.00 C ATOM 601 O LEU A 62 -2.228 27.115 -0.800 1.00 0.00 O ATOM 602 CB LEU A 62 -5.175 26.550 -0.807 1.00 0.00 C ATOM 603 CG LEU A 62 -5.559 25.113 -1.201 1.00 0.00 C ATOM 604 CD1 LEU A 62 -6.494 24.479 -0.191 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.352 25.103 -2.507 1.00 0.00 C ATOM 0 H LEU A 62 -4.180 28.701 0.617 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.485 25.770 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.082 27.116 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.689 27.034 -1.654 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.616 24.571 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.739 23.466 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.008 24.446 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.408 25.069 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.613 24.077 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.263 25.689 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.747 25.536 -3.303 1.00 0.00 H new ATOM 617 N ASP A 63 -2.064 25.556 0.821 1.00 0.00 N ATOM 618 CA ASP A 63 -0.639 25.230 0.641 1.00 0.00 C ATOM 619 C ASP A 63 -0.481 23.955 -0.225 1.00 0.00 C ATOM 620 O ASP A 63 -1.461 23.387 -0.715 1.00 0.00 O ATOM 621 CB ASP A 63 0.079 25.191 2.016 1.00 0.00 C ATOM 622 CG ASP A 63 1.597 25.434 1.928 1.00 0.00 C ATOM 623 OD1 ASP A 63 2.341 24.512 1.537 1.00 0.00 O ATOM 624 OD2 ASP A 63 2.080 26.532 2.274 1.00 0.00 O ATOM 0 H ASP A 63 -2.496 25.034 1.583 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.134 26.015 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.363 25.944 2.669 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.099 24.222 2.481 1.00 0.00 H new ATOM 629 N ILE A 64 0.756 23.503 -0.439 1.00 0.00 N ATOM 630 CA ILE A 64 1.108 22.391 -1.328 1.00 0.00 C ATOM 631 C ILE A 64 1.970 21.345 -0.621 1.00 0.00 C ATOM 632 O ILE A 64 2.968 21.652 0.030 1.00 0.00 O ATOM 633 CB ILE A 64 1.831 22.950 -2.578 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.974 23.968 -3.367 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.306 21.832 -3.526 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.278 23.366 -4.012 1.00 0.00 C ATOM 0 H ILE A 64 1.570 23.915 0.017 1.00 0.00 H new ATOM 0 HA ILE A 64 0.191 21.886 -1.631 1.00 0.00 H new ATOM 0 HB ILE A 64 2.703 23.475 -2.189 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.673 24.771 -2.694 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.590 24.418 -4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.807 22.274 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.000 21.178 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.447 21.252 -3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.823 24.145 -4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.014 22.583 -4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.917 22.941 -3.238 1.00 0.00 H new ATOM 648 N ASP A 65 1.622 20.074 -0.813 1.00 0.00 N ATOM 649 CA ASP A 65 2.391 18.930 -0.331 1.00 0.00 C ATOM 650 C ASP A 65 3.756 18.810 -1.042 1.00 0.00 C ATOM 651 O ASP A 65 3.960 18.121 -2.051 1.00 0.00 O ATOM 652 CB ASP A 65 1.541 17.664 -0.399 1.00 0.00 C ATOM 653 CG ASP A 65 2.203 16.491 0.333 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.452 16.411 0.368 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.427 15.660 0.856 1.00 0.00 O ATOM 0 H ASP A 65 0.778 19.806 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 65 2.641 19.085 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.562 17.860 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.375 17.394 -1.442 1.00 0.00 H new ATOM 660 N LYS A 66 4.718 19.544 -0.483 1.00 0.00 N ATOM 661 CA LYS A 66 6.132 19.570 -0.866 1.00 0.00 C ATOM 662 C LYS A 66 6.844 18.214 -0.707 1.00 0.00 C ATOM 663 O LYS A 66 7.871 18.038 -1.352 1.00 0.00 O ATOM 664 CB LYS A 66 6.830 20.694 -0.065 1.00 0.00 C ATOM 665 CG LYS A 66 6.476 22.099 -0.605 1.00 0.00 C ATOM 666 CD LYS A 66 6.533 23.242 0.431 1.00 0.00 C ATOM 667 CE LYS A 66 5.292 23.201 1.339 1.00 0.00 C ATOM 668 NZ LYS A 66 4.946 24.492 1.983 1.00 0.00 N ATOM 0 H LYS A 66 4.521 20.174 0.295 1.00 0.00 H new ATOM 0 HA LYS A 66 6.194 19.778 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.540 20.625 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.910 20.551 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.157 22.338 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.472 22.065 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.436 23.151 1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.587 24.203 -0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.439 22.866 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.454 22.455 2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.088 24.417 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.556 25.244 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.951 24.722 1.787 1.00 0.00 H new ATOM 682 N SER A 67 6.305 17.271 0.080 1.00 0.00 N ATOM 683 CA SER A 67 6.871 15.924 0.261 1.00 0.00 C ATOM 684 C SER A 67 6.675 15.063 -0.988 1.00 0.00 C ATOM 685 O SER A 67 7.637 14.495 -1.501 1.00 0.00 O ATOM 686 CB SER A 67 6.217 15.233 1.469 1.00 0.00 C ATOM 687 OG SER A 67 6.907 14.048 1.810 1.00 0.00 O ATOM 0 H SER A 67 5.451 17.424 0.617 1.00 0.00 H new ATOM 0 HA SER A 67 7.941 16.035 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.211 15.912 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.177 14.999 1.240 1.00 0.00 H new ATOM 0 HG SER A 67 6.473 13.628 2.582 1.00 0.00 H new ATOM 693 N VAL A 68 5.451 15.024 -1.534 1.00 0.00 N ATOM 694 CA VAL A 68 5.157 14.233 -2.749 1.00 0.00 C ATOM 695 C VAL A 68 5.532 14.988 -4.036 1.00 0.00 C ATOM 696 O VAL A 68 5.645 14.375 -5.096 1.00 0.00 O ATOM 697 CB VAL A 68 3.691 13.728 -2.772 1.00 0.00 C ATOM 698 CG1 VAL A 68 3.482 12.603 -3.803 1.00 0.00 C ATOM 699 CG2 VAL A 68 3.272 13.133 -1.419 1.00 0.00 C ATOM 0 H VAL A 68 4.647 15.528 -1.159 1.00 0.00 H new ATOM 0 HA VAL A 68 5.793 13.348 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 68 3.096 14.606 -3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.441 12.281 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.730 12.971 -4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.127 11.760 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.239 12.791 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.920 12.291 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.359 13.894 -0.644 1.00 0.00 H new ATOM 709 N ARG A 69 5.722 16.320 -3.974 1.00 0.00 N ATOM 710 CA ARG A 69 6.184 17.222 -5.066 1.00 0.00 C ATOM 711 C ARG A 69 5.314 17.239 -6.347 1.00 0.00 C ATOM 712 O ARG A 69 5.589 18.015 -7.258 1.00 0.00 O ATOM 713 CB ARG A 69 7.680 16.903 -5.324 1.00 0.00 C ATOM 714 CG ARG A 69 8.527 17.913 -6.122 1.00 0.00 C ATOM 715 CD ARG A 69 8.574 19.316 -5.500 1.00 0.00 C ATOM 716 NE ARG A 69 9.655 20.139 -6.092 1.00 0.00 N ATOM 717 CZ ARG A 69 9.726 21.460 -6.123 1.00 0.00 C ATOM 718 NH1 ARG A 69 8.778 22.230 -5.661 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.775 22.050 -6.629 1.00 0.00 N ATOM 0 H ARG A 69 5.549 16.834 -3.110 1.00 0.00 H new ATOM 0 HA ARG A 69 6.065 18.252 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 69 8.159 16.763 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.729 15.947 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.544 17.531 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.127 17.988 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.615 19.813 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.727 19.233 -4.424 1.00 0.00 H new ATOM 0 HE ARG A 69 10.428 19.632 -6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.938 21.817 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.877 23.244 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.543 21.492 -7.002 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.826 23.068 -6.651 1.00 0.00 H new ATOM 733 N HIS A 70 4.259 16.419 -6.409 1.00 0.00 N ATOM 734 CA HIS A 70 3.340 16.239 -7.545 1.00 0.00 C ATOM 735 C HIS A 70 2.316 17.381 -7.715 1.00 0.00 C ATOM 736 O HIS A 70 1.978 18.052 -6.746 1.00 0.00 O ATOM 737 CB HIS A 70 2.686 14.838 -7.431 1.00 0.00 C ATOM 738 CG HIS A 70 1.634 14.586 -6.354 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.793 13.481 -6.311 1.00 0.00 N ATOM 740 CD2 HIS A 70 1.300 15.380 -5.285 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.065 13.633 -5.281 1.00 0.00 C ATOM 742 NE2 HIS A 70 0.232 14.775 -4.638 1.00 0.00 N ATOM 0 H HIS A 70 4.006 15.825 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 70 3.919 16.291 -8.467 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.228 14.612 -8.394 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.487 14.115 -7.281 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.780 16.305 -5.000 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.859 12.950 -5.017 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.247 15.136 -3.813 1.00 0.00 H new ATOM 751 N LEU A 71 1.749 17.521 -8.922 1.00 0.00 N ATOM 752 CA LEU A 71 0.756 18.550 -9.298 1.00 0.00 C ATOM 753 C LEU A 71 -0.662 17.965 -9.488 1.00 0.00 C ATOM 754 O LEU A 71 -1.389 18.409 -10.373 1.00 0.00 O ATOM 755 CB LEU A 71 1.186 19.283 -10.594 1.00 0.00 C ATOM 756 CG LEU A 71 2.608 19.867 -10.625 1.00 0.00 C ATOM 757 CD1 LEU A 71 2.829 20.575 -11.963 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.838 20.887 -9.511 1.00 0.00 C ATOM 0 H LEU A 71 1.976 16.898 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 71 0.719 19.257 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.088 18.586 -11.426 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.482 20.095 -10.774 1.00 0.00 H new ATOM 0 HG LEU A 71 3.303 19.039 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.836 20.992 -11.992 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.708 19.860 -12.777 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.100 21.378 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.856 21.271 -9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.132 21.710 -9.620 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.690 20.408 -8.543 1.00 0.00 H new ATOM 770 N TYR A 72 -1.038 16.927 -8.742 1.00 0.00 N ATOM 771 CA TYR A 72 -2.383 16.349 -8.825 1.00 0.00 C ATOM 772 C TYR A 72 -3.298 16.963 -7.777 1.00 0.00 C ATOM 773 O TYR A 72 -2.859 17.218 -6.663 1.00 0.00 O ATOM 774 CB TYR A 72 -2.308 14.829 -8.653 1.00 0.00 C ATOM 775 CG TYR A 72 -1.921 14.149 -9.946 1.00 0.00 C ATOM 776 CD1 TYR A 72 -2.786 14.258 -11.050 1.00 0.00 C ATOM 777 CD2 TYR A 72 -0.685 13.484 -10.073 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.402 13.734 -12.296 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.315 12.926 -11.311 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.171 13.059 -12.429 1.00 0.00 C ATOM 781 OH TYR A 72 -0.799 12.565 -13.637 1.00 0.00 O ATOM 0 H TYR A 72 -0.427 16.465 -8.068 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.800 16.572 -9.807 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.581 14.584 -7.879 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.273 14.451 -8.315 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.744 14.744 -10.940 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.024 13.403 -9.223 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.050 13.848 -13.152 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.622 12.397 -11.407 1.00 0.00 H new ATOM 0 HH TYR A 72 0.076 12.130 -13.557 1.00 0.00 H new ATOM 791 N ILE A 73 -4.569 17.156 -8.128 1.00 0.00 N ATOM 792 CA ILE A 73 -5.617 17.662 -7.233 1.00 0.00 C ATOM 793 C ILE A 73 -6.879 16.814 -7.390 1.00 0.00 C ATOM 794 O ILE A 73 -7.031 16.117 -8.397 1.00 0.00 O ATOM 795 CB ILE A 73 -5.917 19.169 -7.441 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.752 19.466 -8.703 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.608 19.968 -7.435 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.083 20.947 -8.928 1.00 0.00 C ATOM 0 H ILE A 73 -4.911 16.960 -9.069 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.248 17.575 -6.211 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.539 19.487 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.212 19.094 -9.574 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.685 18.906 -8.643 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.827 21.026 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.103 19.831 -6.479 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.963 19.616 -8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.672 21.054 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.654 21.325 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.158 21.516 -9.025 1.00 0.00 H new ATOM 810 N CYS A 74 -7.794 16.905 -6.433 1.00 0.00 N ATOM 811 CA CYS A 74 -9.096 16.261 -6.492 1.00 0.00 C ATOM 812 C CYS A 74 -10.170 17.108 -7.204 1.00 0.00 C ATOM 813 O CYS A 74 -10.011 18.309 -7.450 1.00 0.00 O ATOM 814 CB CYS A 74 -9.512 15.895 -5.068 1.00 0.00 C ATOM 815 SG CYS A 74 -9.839 17.372 -4.072 1.00 0.00 S ATOM 0 H CYS A 74 -7.647 17.440 -5.577 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.009 15.362 -7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.405 15.270 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -8.725 15.305 -4.598 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.244 17.260 -2.922 1.00 0.00 H new ATOM 820 N ASP A 75 -11.294 16.454 -7.505 1.00 0.00 N ATOM 821 CA ASP A 75 -12.515 17.038 -8.064 1.00 0.00 C ATOM 822 C ASP A 75 -13.031 18.231 -7.240 1.00 0.00 C ATOM 823 O ASP A 75 -13.367 19.291 -7.777 1.00 0.00 O ATOM 824 CB ASP A 75 -13.580 15.915 -8.104 1.00 0.00 C ATOM 825 CG ASP A 75 -13.697 15.128 -6.776 1.00 0.00 C ATOM 826 OD1 ASP A 75 -14.460 15.533 -5.869 1.00 0.00 O ATOM 827 OD2 ASP A 75 -12.934 14.156 -6.620 1.00 0.00 O ATOM 0 H ASP A 75 -11.381 15.449 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.303 17.428 -9.060 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -14.549 16.352 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -13.335 15.221 -8.908 1.00 0.00 H new ATOM 832 N PHE A 76 -13.053 18.052 -5.922 1.00 0.00 N ATOM 833 CA PHE A 76 -13.561 18.992 -4.936 1.00 0.00 C ATOM 834 C PHE A 76 -12.741 20.290 -4.943 1.00 0.00 C ATOM 835 O PHE A 76 -13.281 21.388 -5.108 1.00 0.00 O ATOM 836 CB PHE A 76 -13.519 18.263 -3.582 1.00 0.00 C ATOM 837 CG PHE A 76 -14.560 18.698 -2.577 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.299 19.759 -1.693 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.785 18.008 -2.503 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.264 20.132 -0.741 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.748 18.378 -1.550 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.486 19.441 -0.666 1.00 0.00 C ATOM 0 H PHE A 76 -12.696 17.198 -5.493 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.583 19.300 -5.157 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.636 17.194 -3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.532 18.407 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.358 20.287 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -15.985 17.192 -3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.066 20.951 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.687 17.848 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.223 19.726 0.070 1.00 0.00 H new ATOM 852 N HIS A 77 -11.412 20.171 -4.860 1.00 0.00 N ATOM 853 CA HIS A 77 -10.522 21.328 -4.959 1.00 0.00 C ATOM 854 C HIS A 77 -10.514 21.960 -6.354 1.00 0.00 C ATOM 855 O HIS A 77 -10.416 23.185 -6.451 1.00 0.00 O ATOM 856 CB HIS A 77 -9.110 20.966 -4.490 1.00 0.00 C ATOM 857 CG HIS A 77 -8.913 21.172 -2.988 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.534 20.197 -2.047 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.178 22.333 -2.319 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.610 20.807 -0.840 1.00 0.00 C ATOM 861 NE2 HIS A 77 -8.997 22.084 -0.978 1.00 0.00 N ATOM 0 H HIS A 77 -10.930 19.282 -4.724 1.00 0.00 H new ATOM 0 HA HIS A 77 -10.919 22.093 -4.291 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -8.905 19.925 -4.739 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.385 21.572 -5.033 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.475 23.273 -2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.389 20.331 0.104 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.133 22.754 -0.221 1.00 0.00 H new ATOM 869 N LYS A 78 -10.679 21.174 -7.427 1.00 0.00 N ATOM 870 CA LYS A 78 -10.813 21.729 -8.782 1.00 0.00 C ATOM 871 C LYS A 78 -11.983 22.717 -8.864 1.00 0.00 C ATOM 872 O LYS A 78 -11.810 23.824 -9.380 1.00 0.00 O ATOM 873 CB LYS A 78 -10.955 20.591 -9.804 1.00 0.00 C ATOM 874 CG LYS A 78 -10.815 21.120 -11.238 1.00 0.00 C ATOM 875 CD LYS A 78 -10.991 20.034 -12.306 1.00 0.00 C ATOM 876 CE LYS A 78 -12.399 19.436 -12.385 1.00 0.00 C ATOM 877 NZ LYS A 78 -12.395 18.241 -13.266 1.00 0.00 N ATOM 0 H LYS A 78 -10.723 20.156 -7.384 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.909 22.289 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.195 19.832 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.925 20.108 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.554 21.904 -11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.833 21.578 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.735 20.455 -13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.281 19.231 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.743 19.161 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.097 20.179 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.834 18.480 -14.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.415 17.930 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.933 17.474 -12.814 1.00 0.00 H new ATOM 891 N ASN A 79 -13.155 22.360 -8.318 1.00 0.00 N ATOM 892 CA ASN A 79 -14.309 23.268 -8.300 1.00 0.00 C ATOM 893 C ASN A 79 -14.017 24.549 -7.498 1.00 0.00 C ATOM 894 O ASN A 79 -14.295 25.646 -7.983 1.00 0.00 O ATOM 895 CB ASN A 79 -15.575 22.558 -7.793 1.00 0.00 C ATOM 896 CG ASN A 79 -16.799 23.455 -7.969 1.00 0.00 C ATOM 897 OD1 ASN A 79 -16.946 24.488 -7.339 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.694 23.131 -8.873 1.00 0.00 N ATOM 0 H ASN A 79 -13.327 21.453 -7.885 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.496 23.572 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.719 21.625 -8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.456 22.297 -6.741 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.495 23.740 -9.038 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.588 22.270 -9.410 1.00 0.00 H new ATOM 905 N PHE A 80 -13.399 24.440 -6.319 1.00 0.00 N ATOM 906 CA PHE A 80 -13.052 25.586 -5.467 1.00 0.00 C ATOM 907 C PHE A 80 -12.225 26.659 -6.201 1.00 0.00 C ATOM 908 O PHE A 80 -12.487 27.858 -6.065 1.00 0.00 O ATOM 909 CB PHE A 80 -12.311 25.042 -4.240 1.00 0.00 C ATOM 910 CG PHE A 80 -11.969 26.048 -3.159 1.00 0.00 C ATOM 911 CD1 PHE A 80 -12.994 26.746 -2.490 1.00 0.00 C ATOM 912 CD2 PHE A 80 -10.637 26.171 -2.720 1.00 0.00 C ATOM 913 CE1 PHE A 80 -12.696 27.517 -1.350 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.345 26.923 -1.573 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.375 27.577 -0.877 1.00 0.00 C ATOM 0 H PHE A 80 -13.121 23.543 -5.922 1.00 0.00 H new ATOM 0 HA PHE A 80 -13.967 26.098 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.920 24.255 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.386 24.576 -4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.010 26.690 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -9.841 25.687 -3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.479 28.060 -0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.326 27.000 -1.224 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.150 28.128 0.025 1.00 0.00 H new ATOM 925 N ILE A 81 -11.269 26.229 -7.032 1.00 0.00 N ATOM 926 CA ILE A 81 -10.432 27.118 -7.853 1.00 0.00 C ATOM 927 C ILE A 81 -11.171 27.554 -9.146 1.00 0.00 C ATOM 928 O ILE A 81 -11.055 28.709 -9.564 1.00 0.00 O ATOM 929 CB ILE A 81 -9.083 26.435 -8.188 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.382 25.806 -6.955 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.149 27.491 -8.812 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.362 24.726 -7.339 1.00 0.00 C ATOM 0 H ILE A 81 -11.050 25.241 -7.157 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.227 28.018 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.295 25.617 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.879 26.590 -6.389 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.135 25.371 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.191 27.031 -9.056 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.603 27.887 -9.720 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.991 28.302 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.903 24.322 -6.437 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.866 23.925 -7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.591 25.163 -7.974 1.00 0.00 H new ATOM 944 N GLN A 82 -11.953 26.668 -9.787 1.00 0.00 N ATOM 945 CA GLN A 82 -12.797 27.027 -10.945 1.00 0.00 C ATOM 946 C GLN A 82 -13.792 28.141 -10.573 1.00 0.00 C ATOM 947 O GLN A 82 -13.985 29.078 -11.348 1.00 0.00 O ATOM 948 CB GLN A 82 -13.582 25.812 -11.496 1.00 0.00 C ATOM 949 CG GLN A 82 -12.780 24.864 -12.409 1.00 0.00 C ATOM 950 CD GLN A 82 -13.643 23.756 -13.031 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.442 22.568 -12.842 1.00 0.00 O ATOM 952 NE2 GLN A 82 -14.629 24.085 -13.838 1.00 0.00 N ATOM 0 H GLN A 82 -12.019 25.686 -9.520 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.120 27.381 -11.723 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.967 25.238 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.445 26.180 -12.052 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -12.314 25.444 -13.206 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.974 24.409 -11.833 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.830 25.068 -14.023 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -15.192 23.357 -14.279 1.00 0.00 H new