USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 661 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 66 TYR OH : rot 180:sc= 0.00808 USER MOD Set 1.2: A 70 SER OG : rot 101:sc= 0.868 USER MOD Set 2.1: A 36 LYS NZ :NH3+ -128:sc= -0.0409 (180deg=-0.308) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.0331) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -36:sc= 0.373 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc=-0.00464 (180deg=-0.011) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -4.93! C(o=-4.9!,f=-12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.5 X(o=-2.5,f=-2.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0.724 K(o=0.72,f=-2.5!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 82:sc= 0.0312 USER MOD Single : A 77 ASN : amide:sc= -0.0485 X(o=-0.049,f=0) USER MOD Single : A 78 TYR OH : rot 113:sc= 0.923 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.546 -12.832 -22.701 1.00 0.00 N ATOM 2 CA GLY A 1 -10.294 -11.512 -23.249 1.00 0.00 C ATOM 3 C GLY A 1 -8.832 -11.292 -23.582 1.00 0.00 C ATOM 4 O GLY A 1 -8.020 -11.025 -22.697 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.559 -12.933 -22.490 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.263 -13.555 -23.393 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.996 -12.956 -21.827 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.893 -11.375 -24.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.618 -10.757 -22.533 1.00 0.00 H new ATOM 8 N SER A 2 -8.495 -11.405 -24.863 1.00 0.00 N ATOM 9 CA SER A 2 -7.119 -11.222 -25.310 1.00 0.00 C ATOM 10 C SER A 2 -6.749 -9.742 -25.336 1.00 0.00 C ATOM 11 O SER A 2 -5.695 -9.345 -24.839 1.00 0.00 O ATOM 12 CB SER A 2 -6.927 -11.832 -26.700 1.00 0.00 C ATOM 13 OG SER A 2 -5.560 -12.108 -26.951 1.00 0.00 O ATOM 0 H SER A 2 -9.156 -11.622 -25.609 1.00 0.00 H new ATOM 0 HA SER A 2 -6.462 -11.731 -24.604 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.508 -12.751 -26.781 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.308 -11.147 -27.457 1.00 0.00 H new ATOM 0 HG SER A 2 -5.464 -12.499 -27.845 1.00 0.00 H new ATOM 19 N SER A 3 -7.624 -8.930 -25.920 1.00 0.00 N ATOM 20 CA SER A 3 -7.389 -7.494 -26.016 1.00 0.00 C ATOM 21 C SER A 3 -7.805 -6.789 -24.728 1.00 0.00 C ATOM 22 O SER A 3 -8.511 -7.357 -23.896 1.00 0.00 O ATOM 23 CB SER A 3 -8.156 -6.907 -27.202 1.00 0.00 C ATOM 24 OG SER A 3 -7.779 -7.538 -28.415 1.00 0.00 O ATOM 0 H SER A 3 -8.502 -9.242 -26.334 1.00 0.00 H new ATOM 0 HA SER A 3 -6.322 -7.335 -26.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.227 -7.029 -27.043 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.963 -5.836 -27.270 1.00 0.00 H new ATOM 0 HG SER A 3 -8.284 -7.147 -29.158 1.00 0.00 H new ATOM 30 N GLY A 4 -7.362 -5.545 -24.572 1.00 0.00 N ATOM 31 CA GLY A 4 -7.698 -4.781 -23.385 1.00 0.00 C ATOM 32 C GLY A 4 -6.573 -3.864 -22.948 1.00 0.00 C ATOM 33 O GLY A 4 -5.402 -4.242 -22.990 1.00 0.00 O ATOM 0 H GLY A 4 -6.776 -5.053 -25.247 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.591 -4.188 -23.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.941 -5.466 -22.573 1.00 0.00 H new ATOM 37 N SER A 5 -6.927 -2.654 -22.528 1.00 0.00 N ATOM 38 CA SER A 5 -5.938 -1.677 -22.087 1.00 0.00 C ATOM 39 C SER A 5 -6.241 -1.199 -20.670 1.00 0.00 C ATOM 40 O SER A 5 -7.379 -1.276 -20.207 1.00 0.00 O ATOM 41 CB SER A 5 -5.905 -0.485 -23.044 1.00 0.00 C ATOM 42 OG SER A 5 -5.247 -0.819 -24.254 1.00 0.00 O ATOM 0 H SER A 5 -7.892 -2.326 -22.484 1.00 0.00 H new ATOM 0 HA SER A 5 -4.961 -2.160 -22.087 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.923 -0.159 -23.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.395 0.353 -22.569 1.00 0.00 H new ATOM 0 HG SER A 5 -5.241 -0.040 -24.849 1.00 0.00 H new ATOM 48 N SER A 6 -5.214 -0.704 -19.987 1.00 0.00 N ATOM 49 CA SER A 6 -5.368 -0.216 -18.622 1.00 0.00 C ATOM 50 C SER A 6 -4.822 1.202 -18.487 1.00 0.00 C ATOM 51 O SER A 6 -3.771 1.529 -19.036 1.00 0.00 O ATOM 52 CB SER A 6 -4.652 -1.146 -17.641 1.00 0.00 C ATOM 53 OG SER A 6 -5.181 -1.014 -16.333 1.00 0.00 O ATOM 0 H SER A 6 -4.266 -0.630 -20.357 1.00 0.00 H new ATOM 0 HA SER A 6 -6.432 -0.201 -18.386 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.753 -2.179 -17.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.586 -0.917 -17.630 1.00 0.00 H new ATOM 0 HG SER A 6 -4.707 -1.620 -15.726 1.00 0.00 H new ATOM 59 N GLY A 7 -5.544 2.041 -17.750 1.00 0.00 N ATOM 60 CA GLY A 7 -5.117 3.414 -17.555 1.00 0.00 C ATOM 61 C GLY A 7 -4.953 3.768 -16.091 1.00 0.00 C ATOM 62 O GLY A 7 -5.534 3.119 -15.220 1.00 0.00 O ATOM 0 H GLY A 7 -6.417 1.794 -17.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.171 3.574 -18.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.846 4.086 -18.009 1.00 0.00 H new ATOM 66 N ILE A 8 -4.160 4.798 -15.818 1.00 0.00 N ATOM 67 CA ILE A 8 -3.921 5.237 -14.448 1.00 0.00 C ATOM 68 C ILE A 8 -5.232 5.553 -13.736 1.00 0.00 C ATOM 69 O ILE A 8 -6.239 5.861 -14.374 1.00 0.00 O ATOM 70 CB ILE A 8 -3.013 6.480 -14.405 1.00 0.00 C ATOM 71 CG1 ILE A 8 -2.459 6.685 -12.994 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.779 7.711 -14.863 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.097 7.343 -12.969 1.00 0.00 C ATOM 0 H ILE A 8 -3.672 5.345 -16.527 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.421 4.415 -13.936 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.175 6.324 -15.085 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.159 7.295 -12.423 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.396 5.719 -12.493 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.124 8.581 -14.827 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.129 7.562 -15.884 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -4.634 7.873 -14.206 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.767 7.457 -11.936 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.383 6.723 -13.512 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.158 8.324 -13.440 1.00 0.00 H new ATOM 85 N LEU A 9 -5.211 5.478 -12.410 1.00 0.00 N ATOM 86 CA LEU A 9 -6.398 5.758 -11.609 1.00 0.00 C ATOM 87 C LEU A 9 -6.069 6.710 -10.464 1.00 0.00 C ATOM 88 O LEU A 9 -4.949 6.719 -9.954 1.00 0.00 O ATOM 89 CB LEU A 9 -6.983 4.458 -11.055 1.00 0.00 C ATOM 90 CG LEU A 9 -7.704 3.563 -12.064 1.00 0.00 C ATOM 91 CD1 LEU A 9 -7.979 2.194 -11.461 1.00 0.00 C ATOM 92 CD2 LEU A 9 -8.999 4.215 -12.525 1.00 0.00 C ATOM 0 H LEU A 9 -4.385 5.226 -11.867 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.137 6.235 -12.253 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.175 3.883 -10.602 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.682 4.709 -10.257 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.058 3.432 -12.932 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.492 1.571 -12.193 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.036 1.724 -11.181 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.606 2.305 -10.576 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.499 3.564 -13.243 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.651 4.377 -11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.777 5.172 -12.997 1.00 0.00 H new ATOM 104 N GLN A 10 -7.054 7.508 -10.063 1.00 0.00 N ATOM 105 CA GLN A 10 -6.868 8.462 -8.976 1.00 0.00 C ATOM 106 C GLN A 10 -7.688 8.061 -7.754 1.00 0.00 C ATOM 107 O GLN A 10 -8.873 7.748 -7.864 1.00 0.00 O ATOM 108 CB GLN A 10 -7.264 9.868 -9.431 1.00 0.00 C ATOM 109 CG GLN A 10 -6.753 10.970 -8.516 1.00 0.00 C ATOM 110 CD GLN A 10 -5.332 11.386 -8.842 1.00 0.00 C ATOM 111 OE1 GLN A 10 -4.375 10.894 -8.244 1.00 0.00 O ATOM 112 NE2 GLN A 10 -5.186 12.298 -9.797 1.00 0.00 N ATOM 0 H GLN A 10 -7.988 7.513 -10.474 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.813 8.460 -8.700 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.881 10.036 -10.438 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.351 9.930 -9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.409 11.837 -8.596 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.800 10.629 -7.482 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.007 12.680 -10.267 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.253 12.616 -10.060 1.00 0.00 H new ATOM 121 N SER A 11 -7.048 8.072 -6.589 1.00 0.00 N ATOM 122 CA SER A 11 -7.716 7.705 -5.346 1.00 0.00 C ATOM 123 C SER A 11 -7.576 8.812 -4.306 1.00 0.00 C ATOM 124 O SER A 11 -6.551 9.492 -4.240 1.00 0.00 O ATOM 125 CB SER A 11 -7.137 6.399 -4.797 1.00 0.00 C ATOM 126 OG SER A 11 -7.839 5.277 -5.305 1.00 0.00 O ATOM 0 H SER A 11 -6.068 8.331 -6.480 1.00 0.00 H new ATOM 0 HA SER A 11 -8.775 7.563 -5.561 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.083 6.324 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.190 6.403 -3.708 1.00 0.00 H new ATOM 0 HG SER A 11 -7.449 4.455 -4.941 1.00 0.00 H new ATOM 132 N LEU A 12 -8.614 8.989 -3.496 1.00 0.00 N ATOM 133 CA LEU A 12 -8.609 10.014 -2.458 1.00 0.00 C ATOM 134 C LEU A 12 -7.777 9.571 -1.259 1.00 0.00 C ATOM 135 O LEU A 12 -6.816 10.238 -0.876 1.00 0.00 O ATOM 136 CB LEU A 12 -10.039 10.326 -2.015 1.00 0.00 C ATOM 137 CG LEU A 12 -10.956 10.929 -3.079 1.00 0.00 C ATOM 138 CD1 LEU A 12 -11.537 9.838 -3.965 1.00 0.00 C ATOM 139 CD2 LEU A 12 -12.068 11.739 -2.429 1.00 0.00 C ATOM 0 H LEU A 12 -9.470 8.436 -3.538 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.160 10.916 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.494 9.405 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.994 11.014 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.364 11.598 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.187 10.287 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.727 9.301 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.114 9.143 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.711 12.161 -3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.658 11.092 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.633 12.546 -1.839 1.00 0.00 H new ATOM 151 N SER A 13 -8.153 8.439 -0.671 1.00 0.00 N ATOM 152 CA SER A 13 -7.443 7.907 0.486 1.00 0.00 C ATOM 153 C SER A 13 -6.694 6.628 0.123 1.00 0.00 C ATOM 154 O SER A 13 -7.039 5.947 -0.842 1.00 0.00 O ATOM 155 CB SER A 13 -8.422 7.632 1.629 1.00 0.00 C ATOM 156 OG SER A 13 -9.500 6.822 1.194 1.00 0.00 O ATOM 0 H SER A 13 -8.945 7.873 -0.977 1.00 0.00 H new ATOM 0 HA SER A 13 -6.717 8.652 0.811 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.900 7.138 2.448 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.806 8.575 2.018 1.00 0.00 H new ATOM 0 HG SER A 13 -10.110 6.660 1.943 1.00 0.00 H new ATOM 162 N ALA A 14 -5.668 6.309 0.904 1.00 0.00 N ATOM 163 CA ALA A 14 -4.871 5.111 0.668 1.00 0.00 C ATOM 164 C ALA A 14 -4.121 4.693 1.928 1.00 0.00 C ATOM 165 O ALA A 14 -4.118 5.411 2.928 1.00 0.00 O ATOM 166 CB ALA A 14 -3.895 5.344 -0.476 1.00 0.00 C ATOM 0 H ALA A 14 -5.369 6.863 1.706 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.549 4.302 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -3.306 4.442 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.449 5.587 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.230 6.170 -0.224 1.00 0.00 H new ATOM 172 N LEU A 15 -3.488 3.526 1.874 1.00 0.00 N ATOM 173 CA LEU A 15 -2.735 3.011 3.012 1.00 0.00 C ATOM 174 C LEU A 15 -1.244 2.947 2.694 1.00 0.00 C ATOM 175 O LEU A 15 -0.822 3.262 1.581 1.00 0.00 O ATOM 176 CB LEU A 15 -3.245 1.623 3.401 1.00 0.00 C ATOM 177 CG LEU A 15 -2.699 0.453 2.581 1.00 0.00 C ATOM 178 CD1 LEU A 15 -2.659 -0.814 3.421 1.00 0.00 C ATOM 179 CD2 LEU A 15 -3.540 0.240 1.330 1.00 0.00 C ATOM 0 H LEU A 15 -3.481 2.919 1.054 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.880 3.692 3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.003 1.450 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.332 1.621 3.320 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.681 0.693 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.268 -1.636 2.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.014 -0.657 4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.666 -1.059 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.137 -0.596 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.569 0.022 1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.517 1.142 0.718 1.00 0.00 H new ATOM 191 N ASP A 16 -0.452 2.534 3.678 1.00 0.00 N ATOM 192 CA ASP A 16 0.991 2.424 3.502 1.00 0.00 C ATOM 193 C ASP A 16 1.329 1.819 2.143 1.00 0.00 C ATOM 194 O ASP A 16 2.027 2.433 1.335 1.00 0.00 O ATOM 195 CB ASP A 16 1.599 1.573 4.618 1.00 0.00 C ATOM 196 CG ASP A 16 1.865 2.374 5.877 1.00 0.00 C ATOM 197 OD1 ASP A 16 2.108 3.594 5.764 1.00 0.00 O ATOM 198 OD2 ASP A 16 1.833 1.781 6.976 1.00 0.00 O ATOM 0 H ASP A 16 -0.785 2.270 4.605 1.00 0.00 H new ATOM 0 HA ASP A 16 1.415 3.427 3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.925 0.749 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.532 1.132 4.267 1.00 0.00 H new ATOM 203 N PHE A 17 0.830 0.613 1.897 1.00 0.00 N ATOM 204 CA PHE A 17 1.080 -0.076 0.637 1.00 0.00 C ATOM 205 C PHE A 17 -0.095 -0.977 0.266 1.00 0.00 C ATOM 206 O PHE A 17 -0.765 -1.530 1.138 1.00 0.00 O ATOM 207 CB PHE A 17 2.363 -0.905 0.730 1.00 0.00 C ATOM 208 CG PHE A 17 2.229 -2.121 1.602 1.00 0.00 C ATOM 209 CD1 PHE A 17 1.447 -3.193 1.203 1.00 0.00 C ATOM 210 CD2 PHE A 17 2.885 -2.192 2.820 1.00 0.00 C ATOM 211 CE1 PHE A 17 1.321 -4.312 2.004 1.00 0.00 C ATOM 212 CE2 PHE A 17 2.764 -3.309 3.625 1.00 0.00 C ATOM 213 CZ PHE A 17 1.981 -4.371 3.216 1.00 0.00 C ATOM 0 H PHE A 17 0.249 0.092 2.554 1.00 0.00 H new ATOM 0 HA PHE A 17 1.198 0.677 -0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.658 -1.217 -0.272 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.165 -0.277 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.930 -3.154 0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.498 -1.364 3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.707 -5.140 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.281 -3.351 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.885 -5.245 3.842 1.00 0.00 H new ATOM 223 N ASP A 18 -0.338 -1.117 -1.032 1.00 0.00 N ATOM 224 CA ASP A 18 -1.431 -1.950 -1.519 1.00 0.00 C ATOM 225 C ASP A 18 -0.943 -3.363 -1.826 1.00 0.00 C ATOM 226 O ASP A 18 0.156 -3.568 -2.342 1.00 0.00 O ATOM 227 CB ASP A 18 -2.055 -1.330 -2.771 1.00 0.00 C ATOM 228 CG ASP A 18 -3.529 -1.656 -2.905 1.00 0.00 C ATOM 229 OD1 ASP A 18 -4.300 -1.304 -1.988 1.00 0.00 O ATOM 230 OD2 ASP A 18 -3.912 -2.263 -3.927 1.00 0.00 O ATOM 0 H ASP A 18 0.207 -0.665 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.187 -2.008 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.927 -0.248 -2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.525 -1.689 -3.653 1.00 0.00 H new ATOM 235 N PRO A 19 -1.777 -4.361 -1.500 1.00 0.00 N ATOM 236 CA PRO A 19 -1.452 -5.772 -1.731 1.00 0.00 C ATOM 237 C PRO A 19 -1.446 -6.130 -3.213 1.00 0.00 C ATOM 238 O PRO A 19 -0.569 -6.857 -3.682 1.00 0.00 O ATOM 239 CB PRO A 19 -2.574 -6.518 -1.005 1.00 0.00 C ATOM 240 CG PRO A 19 -3.715 -5.559 -0.984 1.00 0.00 C ATOM 241 CD PRO A 19 -3.103 -4.190 -0.881 1.00 0.00 C ATOM 0 HA PRO A 19 -0.454 -6.024 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.840 -7.438 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.274 -6.799 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.318 -5.650 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.375 -5.756 -0.139 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.698 -3.443 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.023 -3.862 0.156 1.00 0.00 H new ATOM 249 N TYR A 20 -2.427 -5.615 -3.945 1.00 0.00 N ATOM 250 CA TYR A 20 -2.535 -5.883 -5.375 1.00 0.00 C ATOM 251 C TYR A 20 -1.410 -5.197 -6.144 1.00 0.00 C ATOM 252 O TYR A 20 -0.815 -5.783 -7.049 1.00 0.00 O ATOM 253 CB TYR A 20 -3.890 -5.409 -5.902 1.00 0.00 C ATOM 254 CG TYR A 20 -5.050 -6.265 -5.445 1.00 0.00 C ATOM 255 CD1 TYR A 20 -5.449 -7.378 -6.175 1.00 0.00 C ATOM 256 CD2 TYR A 20 -5.748 -5.960 -4.282 1.00 0.00 C ATOM 257 CE1 TYR A 20 -6.509 -8.161 -5.761 1.00 0.00 C ATOM 258 CE2 TYR A 20 -6.808 -6.738 -3.860 1.00 0.00 C ATOM 259 CZ TYR A 20 -7.185 -7.838 -4.603 1.00 0.00 C ATOM 260 OH TYR A 20 -8.240 -8.616 -4.187 1.00 0.00 O ATOM 0 H TYR A 20 -3.159 -5.010 -3.573 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.450 -6.959 -5.525 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.057 -4.382 -5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.864 -5.399 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.921 -7.635 -7.082 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.456 -5.099 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.807 -9.022 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -7.339 -6.487 -2.954 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.606 -8.253 -3.354 1.00 0.00 H new ATOM 270 N ARG A 21 -1.122 -3.953 -5.776 1.00 0.00 N ATOM 271 CA ARG A 21 -0.069 -3.187 -6.430 1.00 0.00 C ATOM 272 C ARG A 21 1.293 -3.837 -6.211 1.00 0.00 C ATOM 273 O ARG A 21 2.068 -4.012 -7.152 1.00 0.00 O ATOM 274 CB ARG A 21 -0.051 -1.751 -5.903 1.00 0.00 C ATOM 275 CG ARG A 21 -1.340 -0.989 -6.167 1.00 0.00 C ATOM 276 CD ARG A 21 -1.294 -0.261 -7.502 1.00 0.00 C ATOM 277 NE ARG A 21 -1.708 -1.120 -8.608 1.00 0.00 N ATOM 278 CZ ARG A 21 -2.195 -0.659 -9.754 1.00 0.00 C ATOM 279 NH1 ARG A 21 -2.328 0.647 -9.944 1.00 0.00 N ATOM 280 NH2 ARG A 21 -2.551 -1.503 -10.714 1.00 0.00 N ATOM 0 H ARG A 21 -1.604 -3.454 -5.028 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.277 -3.172 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.137 -1.769 -4.829 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.779 -1.215 -6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.182 -1.682 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.510 -0.270 -5.365 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.942 0.614 -7.460 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.282 0.101 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.618 -2.130 -8.494 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.056 1.300 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.702 0.999 -10.825 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.451 -2.508 -10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.925 -1.147 -11.594 1.00 0.00 H new ATOM 294 N VAL A 22 1.579 -4.194 -4.963 1.00 0.00 N ATOM 295 CA VAL A 22 2.847 -4.826 -4.620 1.00 0.00 C ATOM 296 C VAL A 22 3.034 -6.133 -5.382 1.00 0.00 C ATOM 297 O VAL A 22 3.945 -6.262 -6.201 1.00 0.00 O ATOM 298 CB VAL A 22 2.943 -5.107 -3.108 1.00 0.00 C ATOM 299 CG1 VAL A 22 4.235 -5.843 -2.783 1.00 0.00 C ATOM 300 CG2 VAL A 22 2.845 -3.811 -2.318 1.00 0.00 C ATOM 0 H VAL A 22 0.949 -4.056 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 22 3.635 -4.128 -4.903 1.00 0.00 H new ATOM 0 HB VAL A 22 2.107 -5.745 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.286 -6.033 -1.711 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.259 -6.791 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.087 -5.233 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.915 -4.028 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.659 -3.146 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.891 -3.328 -2.528 1.00 0.00 H new ATOM 310 N LEU A 23 2.166 -7.101 -5.107 1.00 0.00 N ATOM 311 CA LEU A 23 2.234 -8.400 -5.768 1.00 0.00 C ATOM 312 C LEU A 23 2.245 -8.239 -7.284 1.00 0.00 C ATOM 313 O LEU A 23 2.887 -9.011 -7.996 1.00 0.00 O ATOM 314 CB LEU A 23 1.051 -9.272 -5.344 1.00 0.00 C ATOM 315 CG LEU A 23 1.162 -9.933 -3.970 1.00 0.00 C ATOM 316 CD1 LEU A 23 -0.145 -10.615 -3.598 1.00 0.00 C ATOM 317 CD2 LEU A 23 2.311 -10.930 -3.949 1.00 0.00 C ATOM 0 H LEU A 23 1.407 -7.011 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 23 3.162 -8.886 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.150 -8.659 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.916 -10.054 -6.091 1.00 0.00 H new ATOM 0 HG LEU A 23 1.366 -9.158 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.047 -11.080 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.946 -9.876 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.381 -11.379 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.375 -11.391 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.137 -11.701 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.245 -10.413 -4.169 1.00 0.00 H new ATOM 329 N GLY A 24 1.532 -7.230 -7.773 1.00 0.00 N ATOM 330 CA GLY A 24 1.475 -6.985 -9.203 1.00 0.00 C ATOM 331 C GLY A 24 0.283 -7.654 -9.858 1.00 0.00 C ATOM 332 O GLY A 24 0.417 -8.292 -10.902 1.00 0.00 O ATOM 0 H GLY A 24 0.992 -6.577 -7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.429 -5.911 -9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.392 -7.347 -9.668 1.00 0.00 H new ATOM 336 N VAL A 25 -0.887 -7.509 -9.244 1.00 0.00 N ATOM 337 CA VAL A 25 -2.108 -8.105 -9.774 1.00 0.00 C ATOM 338 C VAL A 25 -3.239 -7.085 -9.826 1.00 0.00 C ATOM 339 O VAL A 25 -3.077 -5.940 -9.404 1.00 0.00 O ATOM 340 CB VAL A 25 -2.557 -9.311 -8.927 1.00 0.00 C ATOM 341 CG1 VAL A 25 -1.830 -10.573 -9.367 1.00 0.00 C ATOM 342 CG2 VAL A 25 -2.324 -9.040 -7.449 1.00 0.00 C ATOM 0 H VAL A 25 -1.015 -6.984 -8.379 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.882 -8.444 -10.785 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.625 -9.463 -9.081 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.160 -11.414 -8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.053 -10.775 -10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.756 -10.436 -9.244 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.647 -9.902 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.263 -8.861 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.895 -8.162 -7.146 1.00 0.00 H new ATOM 352 N SER A 26 -4.387 -7.508 -10.346 1.00 0.00 N ATOM 353 CA SER A 26 -5.546 -6.631 -10.457 1.00 0.00 C ATOM 354 C SER A 26 -6.675 -7.104 -9.547 1.00 0.00 C ATOM 355 O SER A 26 -6.554 -8.125 -8.869 1.00 0.00 O ATOM 356 CB SER A 26 -6.033 -6.575 -11.906 1.00 0.00 C ATOM 357 OG SER A 26 -6.631 -5.323 -12.195 1.00 0.00 O ATOM 0 H SER A 26 -4.539 -8.454 -10.697 1.00 0.00 H new ATOM 0 HA SER A 26 -5.245 -5.631 -10.143 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.195 -6.746 -12.582 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.752 -7.375 -12.082 1.00 0.00 H new ATOM 0 HG SER A 26 -6.932 -5.312 -13.127 1.00 0.00 H new ATOM 363 N ARG A 27 -7.773 -6.355 -9.537 1.00 0.00 N ATOM 364 CA ARG A 27 -8.924 -6.697 -8.710 1.00 0.00 C ATOM 365 C ARG A 27 -9.532 -8.026 -9.147 1.00 0.00 C ATOM 366 O ARG A 27 -10.150 -8.732 -8.349 1.00 0.00 O ATOM 367 CB ARG A 27 -9.979 -5.591 -8.785 1.00 0.00 C ATOM 368 CG ARG A 27 -9.414 -4.195 -8.582 1.00 0.00 C ATOM 369 CD ARG A 27 -9.434 -3.794 -7.115 1.00 0.00 C ATOM 370 NE ARG A 27 -10.761 -3.362 -6.684 1.00 0.00 N ATOM 371 CZ ARG A 27 -11.244 -2.145 -6.902 1.00 0.00 C ATOM 372 NH1 ARG A 27 -10.514 -1.243 -7.544 1.00 0.00 N ATOM 373 NH2 ARG A 27 -12.461 -1.827 -6.479 1.00 0.00 N ATOM 0 H ARG A 27 -7.890 -5.507 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.583 -6.795 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.472 -5.636 -9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -10.743 -5.778 -8.030 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.391 -4.157 -8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -9.993 -3.478 -9.164 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.111 -4.637 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.719 -2.988 -6.950 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.349 -4.032 -6.188 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.579 -1.484 -7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.888 -0.309 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -13.026 -2.518 -5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.831 -0.891 -6.647 1.00 0.00 H new ATOM 387 N THR A 28 -9.354 -8.362 -10.421 1.00 0.00 N ATOM 388 CA THR A 28 -9.886 -9.605 -10.965 1.00 0.00 C ATOM 389 C THR A 28 -9.038 -10.799 -10.541 1.00 0.00 C ATOM 390 O THR A 28 -9.413 -11.949 -10.764 1.00 0.00 O ATOM 391 CB THR A 28 -9.957 -9.560 -12.503 1.00 0.00 C ATOM 392 OG1 THR A 28 -10.556 -10.762 -13.001 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.569 -9.393 -13.104 1.00 0.00 C ATOM 0 H THR A 28 -8.845 -7.790 -11.095 1.00 0.00 H new ATOM 0 HA THR A 28 -10.894 -9.719 -10.565 1.00 0.00 H new ATOM 0 HB THR A 28 -10.567 -8.704 -12.792 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.281 -11.520 -12.444 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.644 -9.364 -14.191 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.127 -8.463 -12.746 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.940 -10.232 -12.806 1.00 0.00 H new ATOM 401 N ALA A 29 -7.893 -10.517 -9.929 1.00 0.00 N ATOM 402 CA ALA A 29 -6.993 -11.568 -9.471 1.00 0.00 C ATOM 403 C ALA A 29 -7.677 -12.472 -8.451 1.00 0.00 C ATOM 404 O ALA A 29 -8.169 -12.004 -7.424 1.00 0.00 O ATOM 405 CB ALA A 29 -5.731 -10.960 -8.877 1.00 0.00 C ATOM 0 H ALA A 29 -7.567 -9.570 -9.739 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.720 -12.178 -10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.068 -11.756 -8.539 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.224 -10.362 -9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.996 -10.325 -8.031 1.00 0.00 H new ATOM 411 N SER A 30 -7.707 -13.769 -8.742 1.00 0.00 N ATOM 412 CA SER A 30 -8.336 -14.738 -7.853 1.00 0.00 C ATOM 413 C SER A 30 -7.289 -15.466 -7.015 1.00 0.00 C ATOM 414 O SER A 30 -6.119 -15.536 -7.390 1.00 0.00 O ATOM 415 CB SER A 30 -9.152 -15.749 -8.660 1.00 0.00 C ATOM 416 OG SER A 30 -10.444 -15.244 -8.952 1.00 0.00 O ATOM 0 H SER A 30 -7.303 -14.173 -9.587 1.00 0.00 H new ATOM 0 HA SER A 30 -9.003 -14.198 -7.181 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.631 -15.983 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.240 -16.680 -8.100 1.00 0.00 H new ATOM 0 HG SER A 30 -10.945 -15.908 -9.470 1.00 0.00 H new ATOM 422 N GLN A 31 -7.719 -16.005 -5.879 1.00 0.00 N ATOM 423 CA GLN A 31 -6.819 -16.727 -4.988 1.00 0.00 C ATOM 424 C GLN A 31 -5.756 -17.479 -5.781 1.00 0.00 C ATOM 425 O GLN A 31 -4.617 -17.618 -5.334 1.00 0.00 O ATOM 426 CB GLN A 31 -7.608 -17.705 -4.115 1.00 0.00 C ATOM 427 CG GLN A 31 -8.310 -17.042 -2.940 1.00 0.00 C ATOM 428 CD GLN A 31 -7.338 -16.508 -1.907 1.00 0.00 C ATOM 429 OE1 GLN A 31 -6.719 -17.272 -1.166 1.00 0.00 O ATOM 430 NE2 GLN A 31 -7.199 -15.188 -1.851 1.00 0.00 N ATOM 0 H GLN A 31 -8.685 -15.955 -5.554 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.321 -15.999 -4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.350 -18.212 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.930 -18.471 -3.738 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.931 -16.224 -3.307 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.978 -17.762 -2.467 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.732 -14.592 -2.484 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.559 -14.771 -1.175 1.00 0.00 H new ATOM 439 N ALA A 32 -6.134 -17.963 -6.959 1.00 0.00 N ATOM 440 CA ALA A 32 -5.212 -18.700 -7.815 1.00 0.00 C ATOM 441 C ALA A 32 -4.153 -17.775 -8.404 1.00 0.00 C ATOM 442 O ALA A 32 -2.956 -17.969 -8.190 1.00 0.00 O ATOM 443 CB ALA A 32 -5.974 -19.408 -8.925 1.00 0.00 C ATOM 0 H ALA A 32 -7.073 -17.858 -7.343 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.705 -19.447 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.273 -19.954 -9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.689 -20.106 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.507 -18.672 -9.527 1.00 0.00 H new ATOM 449 N ASP A 33 -4.600 -16.769 -9.148 1.00 0.00 N ATOM 450 CA ASP A 33 -3.690 -15.814 -9.769 1.00 0.00 C ATOM 451 C ASP A 33 -2.801 -15.150 -8.722 1.00 0.00 C ATOM 452 O ASP A 33 -1.597 -14.994 -8.925 1.00 0.00 O ATOM 453 CB ASP A 33 -4.478 -14.750 -10.535 1.00 0.00 C ATOM 454 CG ASP A 33 -5.433 -15.353 -11.547 1.00 0.00 C ATOM 455 OD1 ASP A 33 -6.470 -15.908 -11.126 1.00 0.00 O ATOM 456 OD2 ASP A 33 -5.144 -15.270 -12.758 1.00 0.00 O ATOM 0 H ASP A 33 -5.587 -16.594 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.054 -16.358 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.040 -14.139 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.782 -14.086 -11.047 1.00 0.00 H new ATOM 461 N ILE A 34 -3.403 -14.762 -7.603 1.00 0.00 N ATOM 462 CA ILE A 34 -2.667 -14.116 -6.524 1.00 0.00 C ATOM 463 C ILE A 34 -1.600 -15.044 -5.954 1.00 0.00 C ATOM 464 O ILE A 34 -0.421 -14.692 -5.895 1.00 0.00 O ATOM 465 CB ILE A 34 -3.606 -13.672 -5.387 1.00 0.00 C ATOM 466 CG1 ILE A 34 -4.686 -12.732 -5.926 1.00 0.00 C ATOM 467 CG2 ILE A 34 -2.813 -12.996 -4.279 1.00 0.00 C ATOM 468 CD1 ILE A 34 -5.929 -12.684 -5.065 1.00 0.00 C ATOM 0 H ILE A 34 -4.399 -14.884 -7.420 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.188 -13.235 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.093 -14.555 -4.972 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.273 -11.727 -6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.962 -13.048 -6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.490 -12.688 -3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.078 -13.694 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.302 -12.121 -4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.652 -11.998 -5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.366 -13.680 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.666 -12.339 -4.065 1.00 0.00 H new ATOM 480 N LYS A 35 -2.020 -16.233 -5.536 1.00 0.00 N ATOM 481 CA LYS A 35 -1.101 -17.215 -4.973 1.00 0.00 C ATOM 482 C LYS A 35 0.087 -17.444 -5.902 1.00 0.00 C ATOM 483 O LYS A 35 1.233 -17.503 -5.457 1.00 0.00 O ATOM 484 CB LYS A 35 -1.828 -18.538 -4.721 1.00 0.00 C ATOM 485 CG LYS A 35 -0.957 -19.596 -4.066 1.00 0.00 C ATOM 486 CD LYS A 35 -1.668 -20.937 -3.992 1.00 0.00 C ATOM 487 CE LYS A 35 -1.596 -21.679 -5.317 1.00 0.00 C ATOM 488 NZ LYS A 35 -0.265 -22.312 -5.527 1.00 0.00 N ATOM 0 H LYS A 35 -2.992 -16.540 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.728 -16.826 -4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.696 -18.351 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.202 -18.924 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.030 -19.705 -4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.683 -19.272 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.218 -21.546 -3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.711 -20.782 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.371 -22.445 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.801 -20.986 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.057 -22.353 -6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.466 -21.750 -5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.273 -23.276 -5.136 1.00 0.00 H new ATOM 502 N LYS A 36 -0.195 -17.572 -7.194 1.00 0.00 N ATOM 503 CA LYS A 36 0.850 -17.792 -8.187 1.00 0.00 C ATOM 504 C LYS A 36 1.764 -16.576 -8.293 1.00 0.00 C ATOM 505 O LYS A 36 2.974 -16.710 -8.475 1.00 0.00 O ATOM 506 CB LYS A 36 0.229 -18.098 -9.552 1.00 0.00 C ATOM 507 CG LYS A 36 1.158 -17.814 -10.720 1.00 0.00 C ATOM 508 CD LYS A 36 0.468 -18.055 -12.052 1.00 0.00 C ATOM 509 CE LYS A 36 1.264 -17.467 -13.206 1.00 0.00 C ATOM 510 NZ LYS A 36 1.276 -15.978 -13.170 1.00 0.00 N ATOM 0 H LYS A 36 -1.139 -17.527 -7.578 1.00 0.00 H new ATOM 0 HA LYS A 36 1.447 -18.646 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.067 -19.147 -9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.680 -17.507 -9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.503 -16.781 -10.669 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.041 -18.449 -10.646 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.338 -19.126 -12.207 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.528 -17.612 -12.033 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.288 -17.839 -13.168 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.837 -17.804 -14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.978 -15.606 -14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.621 -15.643 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.237 -15.644 -12.956 1.00 0.00 H new ATOM 524 N ALA A 37 1.177 -15.389 -8.178 1.00 0.00 N ATOM 525 CA ALA A 37 1.940 -14.149 -8.258 1.00 0.00 C ATOM 526 C ALA A 37 2.778 -13.938 -7.002 1.00 0.00 C ATOM 527 O ALA A 37 3.841 -13.318 -7.050 1.00 0.00 O ATOM 528 CB ALA A 37 1.005 -12.968 -8.476 1.00 0.00 C ATOM 0 H ALA A 37 0.176 -15.260 -8.029 1.00 0.00 H new ATOM 0 HA ALA A 37 2.619 -14.223 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.588 -12.049 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.454 -13.107 -9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.303 -12.901 -7.645 1.00 0.00 H new ATOM 534 N TYR A 38 2.293 -14.455 -5.879 1.00 0.00 N ATOM 535 CA TYR A 38 2.996 -14.321 -4.609 1.00 0.00 C ATOM 536 C TYR A 38 4.216 -15.235 -4.562 1.00 0.00 C ATOM 537 O TYR A 38 5.355 -14.770 -4.516 1.00 0.00 O ATOM 538 CB TYR A 38 2.057 -14.644 -3.445 1.00 0.00 C ATOM 539 CG TYR A 38 2.769 -15.181 -2.224 1.00 0.00 C ATOM 540 CD1 TYR A 38 3.440 -14.328 -1.355 1.00 0.00 C ATOM 541 CD2 TYR A 38 2.771 -16.541 -1.938 1.00 0.00 C ATOM 542 CE1 TYR A 38 4.092 -14.814 -0.239 1.00 0.00 C ATOM 543 CE2 TYR A 38 3.419 -17.035 -0.823 1.00 0.00 C ATOM 544 CZ TYR A 38 4.079 -16.168 0.023 1.00 0.00 C ATOM 545 OH TYR A 38 4.727 -16.656 1.135 1.00 0.00 O ATOM 0 H TYR A 38 1.415 -14.971 -5.822 1.00 0.00 H new ATOM 0 HA TYR A 38 3.335 -13.289 -4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.510 -13.742 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.320 -15.375 -3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.451 -13.267 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.257 -17.223 -2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.609 -14.137 0.425 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.409 -18.095 -0.614 1.00 0.00 H new ATOM 0 HH TYR A 38 4.621 -17.629 1.175 1.00 0.00 H new ATOM 555 N LYS A 39 3.970 -16.541 -4.574 1.00 0.00 N ATOM 556 CA LYS A 39 5.046 -17.524 -4.535 1.00 0.00 C ATOM 557 C LYS A 39 6.182 -17.124 -5.471 1.00 0.00 C ATOM 558 O LYS A 39 7.356 -17.203 -5.109 1.00 0.00 O ATOM 559 CB LYS A 39 4.516 -18.907 -4.921 1.00 0.00 C ATOM 560 CG LYS A 39 3.991 -19.708 -3.742 1.00 0.00 C ATOM 561 CD LYS A 39 2.948 -20.723 -4.177 1.00 0.00 C ATOM 562 CE LYS A 39 2.562 -21.651 -3.035 1.00 0.00 C ATOM 563 NZ LYS A 39 3.586 -22.708 -2.810 1.00 0.00 N ATOM 0 H LYS A 39 3.033 -16.943 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 39 5.433 -17.562 -3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.718 -18.789 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.313 -19.470 -5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.818 -20.222 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.557 -19.031 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.062 -20.203 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.336 -21.310 -5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.433 -21.070 -2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.601 -22.117 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.287 -23.320 -2.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.691 -23.279 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.497 -22.264 -2.576 1.00 0.00 H new ATOM 577 N LYS A 40 5.826 -16.693 -6.677 1.00 0.00 N ATOM 578 CA LYS A 40 6.814 -16.278 -7.665 1.00 0.00 C ATOM 579 C LYS A 40 7.747 -15.218 -7.088 1.00 0.00 C ATOM 580 O LYS A 40 8.962 -15.414 -7.023 1.00 0.00 O ATOM 581 CB LYS A 40 6.119 -15.735 -8.915 1.00 0.00 C ATOM 582 CG LYS A 40 7.073 -15.116 -9.921 1.00 0.00 C ATOM 583 CD LYS A 40 6.405 -14.004 -10.713 1.00 0.00 C ATOM 584 CE LYS A 40 5.660 -14.551 -11.921 1.00 0.00 C ATOM 585 NZ LYS A 40 4.266 -14.950 -11.579 1.00 0.00 N ATOM 0 H LYS A 40 4.859 -16.622 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 40 7.408 -17.151 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.572 -16.545 -9.397 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.384 -14.987 -8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.945 -14.720 -9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.432 -15.886 -10.604 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.710 -13.464 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.158 -13.287 -11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.639 -13.796 -12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.197 -15.412 -12.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.090 -15.918 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.137 -14.913 -10.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.596 -14.298 -12.035 1.00 0.00 H new ATOM 599 N LEU A 41 7.173 -14.096 -6.669 1.00 0.00 N ATOM 600 CA LEU A 41 7.954 -13.004 -6.096 1.00 0.00 C ATOM 601 C LEU A 41 8.722 -13.473 -4.865 1.00 0.00 C ATOM 602 O LEU A 41 9.948 -13.377 -4.812 1.00 0.00 O ATOM 603 CB LEU A 41 7.038 -11.836 -5.726 1.00 0.00 C ATOM 604 CG LEU A 41 6.704 -10.861 -6.856 1.00 0.00 C ATOM 605 CD1 LEU A 41 5.419 -10.108 -6.549 1.00 0.00 C ATOM 606 CD2 LEU A 41 7.854 -9.889 -7.079 1.00 0.00 C ATOM 0 H LEU A 41 6.170 -13.918 -6.715 1.00 0.00 H new ATOM 0 HA LEU A 41 8.673 -12.671 -6.845 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.105 -12.242 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.506 -11.276 -4.916 1.00 0.00 H new ATOM 0 HG LEU A 41 6.555 -11.433 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.197 -9.419 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.599 -10.817 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.539 -9.547 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.599 -9.203 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.034 -9.323 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.753 -10.444 -7.345 1.00 0.00 H new ATOM 618 N ALA A 42 7.993 -13.982 -3.877 1.00 0.00 N ATOM 619 CA ALA A 42 8.606 -14.469 -2.648 1.00 0.00 C ATOM 620 C ALA A 42 9.782 -15.393 -2.949 1.00 0.00 C ATOM 621 O ALA A 42 10.800 -15.362 -2.259 1.00 0.00 O ATOM 622 CB ALA A 42 7.574 -15.188 -1.792 1.00 0.00 C ATOM 0 H ALA A 42 6.977 -14.068 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 42 8.985 -13.609 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.046 -15.546 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.768 -14.499 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.168 -16.034 -2.346 1.00 0.00 H new ATOM 628 N ARG A 43 9.632 -16.214 -3.984 1.00 0.00 N ATOM 629 CA ARG A 43 10.681 -17.148 -4.375 1.00 0.00 C ATOM 630 C ARG A 43 11.919 -16.402 -4.866 1.00 0.00 C ATOM 631 O ARG A 43 13.043 -16.733 -4.491 1.00 0.00 O ATOM 632 CB ARG A 43 10.173 -18.089 -5.469 1.00 0.00 C ATOM 633 CG ARG A 43 9.289 -19.209 -4.947 1.00 0.00 C ATOM 634 CD ARG A 43 8.440 -19.812 -6.055 1.00 0.00 C ATOM 635 NE ARG A 43 7.431 -20.730 -5.534 1.00 0.00 N ATOM 636 CZ ARG A 43 6.524 -21.334 -6.294 1.00 0.00 C ATOM 637 NH1 ARG A 43 6.501 -21.118 -7.602 1.00 0.00 N ATOM 638 NH2 ARG A 43 5.638 -22.155 -5.746 1.00 0.00 N ATOM 0 H ARG A 43 8.795 -16.251 -4.566 1.00 0.00 H new ATOM 0 HA ARG A 43 10.955 -17.735 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.615 -17.510 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 43 11.027 -18.524 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 43 9.910 -19.985 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.641 -18.825 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.950 -19.013 -6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.084 -20.342 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 43 7.422 -20.918 -4.531 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.181 -20.487 -8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.804 -21.583 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.653 -22.323 -4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.942 -22.618 -6.331 1.00 0.00 H new ATOM 652 N GLU A 44 11.702 -15.394 -5.706 1.00 0.00 N ATOM 653 CA GLU A 44 12.800 -14.603 -6.248 1.00 0.00 C ATOM 654 C GLU A 44 13.453 -13.760 -5.156 1.00 0.00 C ATOM 655 O GLU A 44 14.664 -13.832 -4.943 1.00 0.00 O ATOM 656 CB GLU A 44 12.298 -13.698 -7.374 1.00 0.00 C ATOM 657 CG GLU A 44 12.350 -14.348 -8.747 1.00 0.00 C ATOM 658 CD GLU A 44 12.420 -13.333 -9.871 1.00 0.00 C ATOM 659 OE1 GLU A 44 13.525 -12.815 -10.135 1.00 0.00 O ATOM 660 OE2 GLU A 44 11.369 -13.058 -10.488 1.00 0.00 O ATOM 0 H GLU A 44 10.777 -15.107 -6.025 1.00 0.00 H new ATOM 0 HA GLU A 44 13.546 -15.289 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.271 -13.402 -7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.896 -12.787 -7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.218 -15.005 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.468 -14.974 -8.882 1.00 0.00 H new ATOM 667 N TRP A 45 12.644 -12.962 -4.470 1.00 0.00 N ATOM 668 CA TRP A 45 13.143 -12.104 -3.401 1.00 0.00 C ATOM 669 C TRP A 45 13.359 -12.901 -2.119 1.00 0.00 C ATOM 670 O TRP A 45 13.634 -12.333 -1.062 1.00 0.00 O ATOM 671 CB TRP A 45 12.167 -10.955 -3.143 1.00 0.00 C ATOM 672 CG TRP A 45 11.903 -10.116 -4.356 1.00 0.00 C ATOM 673 CD1 TRP A 45 10.892 -10.277 -5.260 1.00 0.00 C ATOM 674 CD2 TRP A 45 12.663 -8.986 -4.799 1.00 0.00 C ATOM 675 NE1 TRP A 45 10.978 -9.316 -6.238 1.00 0.00 N ATOM 676 CE2 TRP A 45 12.055 -8.511 -5.977 1.00 0.00 C ATOM 677 CE3 TRP A 45 13.797 -8.329 -4.313 1.00 0.00 C ATOM 678 CZ2 TRP A 45 12.545 -7.411 -6.675 1.00 0.00 C ATOM 679 CZ3 TRP A 45 14.282 -7.237 -5.007 1.00 0.00 C ATOM 680 CH2 TRP A 45 13.656 -6.786 -6.178 1.00 0.00 C ATOM 0 H TRP A 45 11.640 -12.891 -4.634 1.00 0.00 H new ATOM 0 HA TRP A 45 14.102 -11.693 -3.717 1.00 0.00 H new ATOM 0 HB2 TRP A 45 11.224 -11.364 -2.780 1.00 0.00 H new ATOM 0 HB3 TRP A 45 12.565 -10.321 -2.351 1.00 0.00 H new ATOM 0 HD1 TRP A 45 10.136 -11.047 -5.213 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.343 -9.218 -7.030 1.00 0.00 H new ATOM 0 HE3 TRP A 45 14.285 -8.669 -3.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 12.065 -7.063 -7.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 15.158 -6.722 -4.641 1.00 0.00 H new ATOM 0 HH2 TRP A 45 14.059 -5.929 -6.697 1.00 0.00 H new ATOM 691 N HIS A 46 13.234 -14.221 -2.220 1.00 0.00 N ATOM 692 CA HIS A 46 13.417 -15.096 -1.068 1.00 0.00 C ATOM 693 C HIS A 46 14.768 -14.847 -0.405 1.00 0.00 C ATOM 694 O HIS A 46 15.820 -14.906 -1.042 1.00 0.00 O ATOM 695 CB HIS A 46 13.306 -16.561 -1.491 1.00 0.00 C ATOM 696 CG HIS A 46 12.830 -17.467 -0.397 1.00 0.00 C ATOM 697 ND1 HIS A 46 13.378 -17.472 0.868 1.00 0.00 N ATOM 698 CD2 HIS A 46 11.848 -18.399 -0.384 1.00 0.00 C ATOM 699 CE1 HIS A 46 12.757 -18.369 1.612 1.00 0.00 C ATOM 700 NE2 HIS A 46 11.823 -18.946 0.876 1.00 0.00 N ATOM 0 H HIS A 46 13.007 -14.707 -3.087 1.00 0.00 H new ATOM 0 HA HIS A 46 12.631 -14.873 -0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 46 12.622 -16.635 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 46 14.280 -16.905 -1.838 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.204 -18.663 -1.210 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.975 -18.593 2.646 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.187 -19.678 1.192 1.00 0.00 H new ATOM 708 N PRO A 47 14.741 -14.560 0.905 1.00 0.00 N ATOM 709 CA PRO A 47 15.955 -14.295 1.683 1.00 0.00 C ATOM 710 C PRO A 47 16.805 -15.547 1.875 1.00 0.00 C ATOM 711 O PRO A 47 17.871 -15.497 2.489 1.00 0.00 O ATOM 712 CB PRO A 47 15.415 -13.804 3.028 1.00 0.00 C ATOM 713 CG PRO A 47 14.056 -14.406 3.133 1.00 0.00 C ATOM 714 CD PRO A 47 13.523 -14.472 1.728 1.00 0.00 C ATOM 0 HA PRO A 47 16.610 -13.580 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.054 -14.123 3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 47 15.370 -12.716 3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 47 14.102 -15.399 3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.409 -13.801 3.768 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.877 -15.338 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.933 -13.589 1.480 1.00 0.00 H new ATOM 722 N ASP A 48 16.327 -16.667 1.345 1.00 0.00 N ATOM 723 CA ASP A 48 17.045 -17.932 1.456 1.00 0.00 C ATOM 724 C ASP A 48 18.200 -17.991 0.463 1.00 0.00 C ATOM 725 O ASP A 48 19.270 -18.518 0.768 1.00 0.00 O ATOM 726 CB ASP A 48 16.092 -19.105 1.220 1.00 0.00 C ATOM 727 CG ASP A 48 15.932 -19.434 -0.251 1.00 0.00 C ATOM 728 OD1 ASP A 48 15.178 -18.717 -0.941 1.00 0.00 O ATOM 729 OD2 ASP A 48 16.562 -20.408 -0.713 1.00 0.00 O ATOM 0 H ASP A 48 15.446 -16.725 0.834 1.00 0.00 H new ATOM 0 HA ASP A 48 17.454 -18.002 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.464 -19.983 1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.116 -18.868 1.644 1.00 0.00 H new ATOM 734 N LYS A 49 17.977 -17.448 -0.729 1.00 0.00 N ATOM 735 CA LYS A 49 18.999 -17.437 -1.769 1.00 0.00 C ATOM 736 C LYS A 49 19.672 -16.071 -1.858 1.00 0.00 C ATOM 737 O LYS A 49 20.843 -15.968 -2.220 1.00 0.00 O ATOM 738 CB LYS A 49 18.383 -17.803 -3.122 1.00 0.00 C ATOM 739 CG LYS A 49 19.342 -17.647 -4.289 1.00 0.00 C ATOM 740 CD LYS A 49 18.798 -18.299 -5.549 1.00 0.00 C ATOM 741 CE LYS A 49 19.912 -18.642 -6.525 1.00 0.00 C ATOM 742 NZ LYS A 49 19.379 -19.105 -7.836 1.00 0.00 N ATOM 0 H LYS A 49 17.097 -17.009 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 49 19.755 -18.178 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.033 -18.835 -3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.508 -17.176 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.521 -16.588 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 49 20.303 -18.093 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 49 18.253 -19.205 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.086 -17.627 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 49 20.543 -17.766 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 49 20.544 -19.419 -6.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.170 -19.329 -8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.798 -19.956 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.796 -18.354 -8.258 1.00 0.00 H new ATOM 756 N ASN A 50 18.923 -15.025 -1.524 1.00 0.00 N ATOM 757 CA ASN A 50 19.447 -13.665 -1.565 1.00 0.00 C ATOM 758 C ASN A 50 20.490 -13.451 -0.472 1.00 0.00 C ATOM 759 O ASN A 50 20.203 -13.609 0.715 1.00 0.00 O ATOM 760 CB ASN A 50 18.311 -12.653 -1.407 1.00 0.00 C ATOM 761 CG ASN A 50 17.707 -12.250 -2.739 1.00 0.00 C ATOM 762 OD1 ASN A 50 18.401 -12.184 -3.753 1.00 0.00 O ATOM 763 ND2 ASN A 50 16.407 -11.978 -2.740 1.00 0.00 N ATOM 0 H ASN A 50 17.951 -15.093 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 50 19.925 -13.516 -2.533 1.00 0.00 H new ATOM 0 HB2 ASN A 50 17.534 -13.079 -0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 50 18.687 -11.765 -0.898 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.945 -11.701 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.871 -12.046 -1.875 1.00 0.00 H new ATOM 770 N LYS A 51 21.702 -13.090 -0.881 1.00 0.00 N ATOM 771 CA LYS A 51 22.788 -12.852 0.062 1.00 0.00 C ATOM 772 C LYS A 51 22.999 -11.357 0.283 1.00 0.00 C ATOM 773 O LYS A 51 23.367 -10.927 1.376 1.00 0.00 O ATOM 774 CB LYS A 51 24.082 -13.491 -0.446 1.00 0.00 C ATOM 775 CG LYS A 51 24.163 -14.986 -0.192 1.00 0.00 C ATOM 776 CD LYS A 51 24.432 -15.289 1.273 1.00 0.00 C ATOM 777 CE LYS A 51 25.211 -16.584 1.440 1.00 0.00 C ATOM 778 NZ LYS A 51 25.861 -16.671 2.777 1.00 0.00 N ATOM 0 H LYS A 51 21.956 -12.956 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 51 22.515 -13.307 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 51 24.172 -13.308 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 51 24.931 -13.003 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.229 -15.459 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 51 24.954 -15.418 -0.805 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.991 -14.467 1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.486 -15.360 1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 51 24.539 -17.432 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.971 -16.654 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 26.382 -17.568 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 26.521 -15.876 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 25.134 -16.630 3.520 1.00 0.00 H new ATOM 792 N ASP A 52 22.763 -10.571 -0.761 1.00 0.00 N ATOM 793 CA ASP A 52 22.925 -9.124 -0.681 1.00 0.00 C ATOM 794 C ASP A 52 22.055 -8.540 0.428 1.00 0.00 C ATOM 795 O ASP A 52 20.924 -8.970 0.655 1.00 0.00 O ATOM 796 CB ASP A 52 22.569 -8.474 -2.019 1.00 0.00 C ATOM 797 CG ASP A 52 23.764 -8.367 -2.946 1.00 0.00 C ATOM 798 OD1 ASP A 52 24.554 -9.331 -3.009 1.00 0.00 O ATOM 799 OD2 ASP A 52 23.910 -7.317 -3.608 1.00 0.00 O ATOM 0 H ASP A 52 22.459 -10.911 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 52 23.969 -8.913 -0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 52 21.786 -9.056 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 52 22.162 -7.479 -1.839 1.00 0.00 H new ATOM 804 N PRO A 53 22.594 -7.538 1.138 1.00 0.00 N ATOM 805 CA PRO A 53 21.885 -6.875 2.236 1.00 0.00 C ATOM 806 C PRO A 53 20.716 -6.028 1.744 1.00 0.00 C ATOM 807 O PRO A 53 20.904 -5.070 0.994 1.00 0.00 O ATOM 808 CB PRO A 53 22.960 -5.987 2.868 1.00 0.00 C ATOM 809 CG PRO A 53 23.934 -5.732 1.770 1.00 0.00 C ATOM 810 CD PRO A 53 23.938 -6.975 0.923 1.00 0.00 C ATOM 0 HA PRO A 53 21.444 -7.592 2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 53 22.534 -5.057 3.244 1.00 0.00 H new ATOM 0 HB3 PRO A 53 23.437 -6.483 3.713 1.00 0.00 H new ATOM 0 HG2 PRO A 53 23.642 -4.861 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 53 24.928 -5.529 2.169 1.00 0.00 H new ATOM 0 HD2 PRO A 53 24.114 -6.745 -0.128 1.00 0.00 H new ATOM 0 HD3 PRO A 53 24.719 -7.670 1.232 1.00 0.00 H new ATOM 818 N GLY A 54 19.509 -6.387 2.171 1.00 0.00 N ATOM 819 CA GLY A 54 18.328 -5.649 1.763 1.00 0.00 C ATOM 820 C GLY A 54 17.240 -6.552 1.217 1.00 0.00 C ATOM 821 O GLY A 54 16.057 -6.340 1.483 1.00 0.00 O ATOM 0 H GLY A 54 19.328 -7.176 2.792 1.00 0.00 H new ATOM 0 HA2 GLY A 54 17.939 -5.091 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 54 18.605 -4.918 1.003 1.00 0.00 H new ATOM 825 N ALA A 55 17.640 -7.562 0.451 1.00 0.00 N ATOM 826 CA ALA A 55 16.690 -8.500 -0.133 1.00 0.00 C ATOM 827 C ALA A 55 15.542 -8.789 0.829 1.00 0.00 C ATOM 828 O ALA A 55 14.398 -8.960 0.410 1.00 0.00 O ATOM 829 CB ALA A 55 17.394 -9.792 -0.520 1.00 0.00 C ATOM 0 H ALA A 55 18.615 -7.751 0.221 1.00 0.00 H new ATOM 0 HA ALA A 55 16.272 -8.044 -1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 55 16.672 -10.483 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.175 -9.576 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 55 17.840 -10.243 0.366 1.00 0.00 H new ATOM 835 N GLU A 56 15.856 -8.843 2.119 1.00 0.00 N ATOM 836 CA GLU A 56 14.850 -9.113 3.140 1.00 0.00 C ATOM 837 C GLU A 56 13.734 -8.074 3.091 1.00 0.00 C ATOM 838 O GLU A 56 12.579 -8.399 2.815 1.00 0.00 O ATOM 839 CB GLU A 56 15.491 -9.125 4.529 1.00 0.00 C ATOM 840 CG GLU A 56 14.525 -9.498 5.641 1.00 0.00 C ATOM 841 CD GLU A 56 15.235 -9.934 6.908 1.00 0.00 C ATOM 842 OE1 GLU A 56 16.089 -10.842 6.827 1.00 0.00 O ATOM 843 OE2 GLU A 56 14.936 -9.369 7.981 1.00 0.00 O ATOM 0 H GLU A 56 16.799 -8.703 2.482 1.00 0.00 H new ATOM 0 HA GLU A 56 14.419 -10.094 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 56 16.323 -9.829 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 56 15.908 -8.139 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.885 -8.644 5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.875 -10.303 5.298 1.00 0.00 H new ATOM 850 N ASP A 57 14.087 -6.822 3.363 1.00 0.00 N ATOM 851 CA ASP A 57 13.116 -5.734 3.350 1.00 0.00 C ATOM 852 C ASP A 57 12.091 -5.933 2.238 1.00 0.00 C ATOM 853 O ASP A 57 10.892 -6.036 2.496 1.00 0.00 O ATOM 854 CB ASP A 57 13.826 -4.391 3.172 1.00 0.00 C ATOM 855 CG ASP A 57 15.131 -4.320 3.940 1.00 0.00 C ATOM 856 OD1 ASP A 57 15.141 -4.702 5.129 1.00 0.00 O ATOM 857 OD2 ASP A 57 16.142 -3.880 3.353 1.00 0.00 O ATOM 0 H ASP A 57 15.038 -6.536 3.595 1.00 0.00 H new ATOM 0 HA ASP A 57 12.592 -5.736 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.022 -4.224 2.113 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.168 -3.588 3.505 1.00 0.00 H new ATOM 862 N ARG A 58 12.572 -5.985 1.000 1.00 0.00 N ATOM 863 CA ARG A 58 11.697 -6.169 -0.152 1.00 0.00 C ATOM 864 C ARG A 58 10.757 -7.351 0.063 1.00 0.00 C ATOM 865 O ARG A 58 9.558 -7.261 -0.202 1.00 0.00 O ATOM 866 CB ARG A 58 12.526 -6.386 -1.419 1.00 0.00 C ATOM 867 CG ARG A 58 11.786 -6.034 -2.699 1.00 0.00 C ATOM 868 CD ARG A 58 11.607 -4.531 -2.843 1.00 0.00 C ATOM 869 NE ARG A 58 10.370 -4.065 -2.221 1.00 0.00 N ATOM 870 CZ ARG A 58 9.160 -4.427 -2.630 1.00 0.00 C ATOM 871 NH1 ARG A 58 9.023 -5.256 -3.655 1.00 0.00 N ATOM 872 NH2 ARG A 58 8.082 -3.960 -2.012 1.00 0.00 N ATOM 0 H ARG A 58 13.562 -5.902 0.769 1.00 0.00 H new ATOM 0 HA ARG A 58 11.097 -5.267 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.433 -5.785 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.838 -7.429 -1.465 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.337 -6.420 -3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.810 -6.520 -2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.456 -4.020 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.603 -4.266 -3.900 1.00 0.00 H new ATOM 0 HE ARG A 58 10.440 -3.426 -1.429 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.849 -5.618 -4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.092 -5.532 -3.967 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.183 -3.322 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.153 -4.239 -2.327 1.00 0.00 H new ATOM 886 N PHE A 59 11.309 -8.460 0.544 1.00 0.00 N ATOM 887 CA PHE A 59 10.521 -9.661 0.792 1.00 0.00 C ATOM 888 C PHE A 59 9.466 -9.407 1.865 1.00 0.00 C ATOM 889 O PHE A 59 8.378 -9.981 1.829 1.00 0.00 O ATOM 890 CB PHE A 59 11.431 -10.815 1.219 1.00 0.00 C ATOM 891 CG PHE A 59 10.681 -12.025 1.698 1.00 0.00 C ATOM 892 CD1 PHE A 59 10.253 -12.991 0.802 1.00 0.00 C ATOM 893 CD2 PHE A 59 10.403 -12.195 3.045 1.00 0.00 C ATOM 894 CE1 PHE A 59 9.562 -14.105 1.240 1.00 0.00 C ATOM 895 CE2 PHE A 59 9.714 -13.308 3.488 1.00 0.00 C ATOM 896 CZ PHE A 59 9.292 -14.263 2.585 1.00 0.00 C ATOM 0 H PHE A 59 12.299 -8.552 0.770 1.00 0.00 H new ATOM 0 HA PHE A 59 10.014 -9.931 -0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 59 12.063 -11.099 0.378 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.093 -10.470 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.462 -12.872 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 59 10.728 -11.450 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.234 -14.851 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.506 -13.431 4.541 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.752 -15.132 2.930 1.00 0.00 H new ATOM 906 N ILE A 60 9.798 -8.544 2.820 1.00 0.00 N ATOM 907 CA ILE A 60 8.880 -8.213 3.902 1.00 0.00 C ATOM 908 C ILE A 60 7.569 -7.653 3.360 1.00 0.00 C ATOM 909 O ILE A 60 6.496 -7.936 3.891 1.00 0.00 O ATOM 910 CB ILE A 60 9.500 -7.190 4.873 1.00 0.00 C ATOM 911 CG1 ILE A 60 10.810 -7.731 5.449 1.00 0.00 C ATOM 912 CG2 ILE A 60 8.521 -6.859 5.990 1.00 0.00 C ATOM 913 CD1 ILE A 60 10.792 -9.223 5.696 1.00 0.00 C ATOM 0 H ILE A 60 10.696 -8.062 2.866 1.00 0.00 H new ATOM 0 HA ILE A 60 8.681 -9.139 4.441 1.00 0.00 H new ATOM 0 HB ILE A 60 9.717 -6.274 4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 60 11.624 -7.494 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.024 -7.218 6.387 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.973 -6.135 6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.611 -6.437 5.563 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.276 -7.767 6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 60 11.753 -9.536 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.000 -9.465 6.405 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.610 -9.745 4.757 1.00 0.00 H new ATOM 925 N GLN A 61 7.666 -6.858 2.299 1.00 0.00 N ATOM 926 CA GLN A 61 6.487 -6.260 1.684 1.00 0.00 C ATOM 927 C GLN A 61 5.743 -7.279 0.828 1.00 0.00 C ATOM 928 O GLN A 61 4.521 -7.407 0.920 1.00 0.00 O ATOM 929 CB GLN A 61 6.887 -5.055 0.831 1.00 0.00 C ATOM 930 CG GLN A 61 6.890 -3.741 1.597 1.00 0.00 C ATOM 931 CD GLN A 61 6.710 -2.538 0.693 1.00 0.00 C ATOM 932 OE1 GLN A 61 7.677 -2.011 0.142 1.00 0.00 O ATOM 933 NE2 GLN A 61 5.468 -2.097 0.534 1.00 0.00 N ATOM 0 H GLN A 61 8.548 -6.613 1.848 1.00 0.00 H new ATOM 0 HA GLN A 61 5.822 -5.928 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.881 -5.227 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.201 -4.973 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.092 -3.756 2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.829 -3.644 2.141 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.696 -2.564 1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.286 -1.291 -0.064 1.00 0.00 H new ATOM 942 N ILE A 62 6.485 -8.000 -0.004 1.00 0.00 N ATOM 943 CA ILE A 62 5.895 -9.008 -0.876 1.00 0.00 C ATOM 944 C ILE A 62 5.076 -10.015 -0.076 1.00 0.00 C ATOM 945 O ILE A 62 3.954 -10.356 -0.451 1.00 0.00 O ATOM 946 CB ILE A 62 6.974 -9.761 -1.677 1.00 0.00 C ATOM 947 CG1 ILE A 62 7.677 -8.810 -2.647 1.00 0.00 C ATOM 948 CG2 ILE A 62 6.356 -10.931 -2.428 1.00 0.00 C ATOM 949 CD1 ILE A 62 9.058 -9.274 -3.055 1.00 0.00 C ATOM 0 H ILE A 62 7.497 -7.905 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 62 5.241 -8.481 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 62 7.715 -10.152 -0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.063 -8.696 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.755 -7.826 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.131 -11.453 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.897 -11.618 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.596 -10.561 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.496 -8.551 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.689 -9.361 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.985 -10.244 -3.546 1.00 0.00 H new ATOM 961 N SER A 63 5.644 -10.487 1.029 1.00 0.00 N ATOM 962 CA SER A 63 4.968 -11.457 1.882 1.00 0.00 C ATOM 963 C SER A 63 3.786 -10.816 2.603 1.00 0.00 C ATOM 964 O SER A 63 2.699 -11.389 2.671 1.00 0.00 O ATOM 965 CB SER A 63 5.947 -12.042 2.902 1.00 0.00 C ATOM 966 OG SER A 63 5.498 -13.299 3.378 1.00 0.00 O ATOM 0 H SER A 63 6.571 -10.213 1.355 1.00 0.00 H new ATOM 0 HA SER A 63 4.592 -12.261 1.249 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.930 -12.153 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.061 -11.352 3.738 1.00 0.00 H new ATOM 0 HG SER A 63 6.142 -13.652 4.027 1.00 0.00 H new ATOM 972 N LYS A 64 4.008 -9.621 3.142 1.00 0.00 N ATOM 973 CA LYS A 64 2.964 -8.899 3.858 1.00 0.00 C ATOM 974 C LYS A 64 1.788 -8.588 2.937 1.00 0.00 C ATOM 975 O LYS A 64 0.633 -8.612 3.361 1.00 0.00 O ATOM 976 CB LYS A 64 3.523 -7.600 4.444 1.00 0.00 C ATOM 977 CG LYS A 64 4.371 -7.809 5.686 1.00 0.00 C ATOM 978 CD LYS A 64 3.530 -7.754 6.951 1.00 0.00 C ATOM 979 CE LYS A 64 3.442 -6.339 7.500 1.00 0.00 C ATOM 980 NZ LYS A 64 2.160 -6.103 8.221 1.00 0.00 N ATOM 0 H LYS A 64 4.902 -9.133 3.096 1.00 0.00 H new ATOM 0 HA LYS A 64 2.610 -9.534 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.123 -7.097 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.694 -6.935 4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.876 -8.773 5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.147 -7.045 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.528 -8.126 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.962 -8.412 7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.278 -6.159 8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.535 -5.625 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.138 -5.127 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.363 -6.250 7.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.082 -6.767 9.018 1.00 0.00 H new ATOM 994 N ALA A 65 2.090 -8.298 1.676 1.00 0.00 N ATOM 995 CA ALA A 65 1.058 -7.986 0.696 1.00 0.00 C ATOM 996 C ALA A 65 0.079 -9.145 0.542 1.00 0.00 C ATOM 997 O ALA A 65 -1.137 -8.952 0.570 1.00 0.00 O ATOM 998 CB ALA A 65 1.690 -7.645 -0.646 1.00 0.00 C ATOM 0 H ALA A 65 3.041 -8.273 1.309 1.00 0.00 H new ATOM 0 HA ALA A 65 0.502 -7.120 1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.907 -7.414 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.344 -6.781 -0.531 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.272 -8.496 -1.001 1.00 0.00 H new ATOM 1004 N TYR A 66 0.616 -10.349 0.378 1.00 0.00 N ATOM 1005 CA TYR A 66 -0.211 -11.540 0.217 1.00 0.00 C ATOM 1006 C TYR A 66 -0.970 -11.854 1.502 1.00 0.00 C ATOM 1007 O TYR A 66 -2.162 -12.157 1.473 1.00 0.00 O ATOM 1008 CB TYR A 66 0.654 -12.736 -0.184 1.00 0.00 C ATOM 1009 CG TYR A 66 -0.146 -13.971 -0.531 1.00 0.00 C ATOM 1010 CD1 TYR A 66 -1.244 -13.897 -1.380 1.00 0.00 C ATOM 1011 CD2 TYR A 66 0.196 -15.213 -0.010 1.00 0.00 C ATOM 1012 CE1 TYR A 66 -1.978 -15.023 -1.699 1.00 0.00 C ATOM 1013 CE2 TYR A 66 -0.531 -16.345 -0.325 1.00 0.00 C ATOM 1014 CZ TYR A 66 -1.617 -16.244 -1.170 1.00 0.00 C ATOM 1015 OH TYR A 66 -2.345 -17.369 -1.485 1.00 0.00 O ATOM 0 H TYR A 66 1.620 -10.526 0.353 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.936 -11.344 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.269 -12.459 -1.040 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.335 -12.972 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.528 -12.942 -1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.045 -15.295 0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.830 -14.947 -2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.251 -17.303 0.088 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.958 -18.147 -1.031 1.00 0.00 H new ATOM 1025 N GLU A 67 -0.268 -11.780 2.629 1.00 0.00 N ATOM 1026 CA GLU A 67 -0.875 -12.057 3.926 1.00 0.00 C ATOM 1027 C GLU A 67 -2.298 -11.509 3.989 1.00 0.00 C ATOM 1028 O GLU A 67 -3.197 -12.149 4.534 1.00 0.00 O ATOM 1029 CB GLU A 67 -0.032 -11.449 5.049 1.00 0.00 C ATOM 1030 CG GLU A 67 1.077 -12.363 5.541 1.00 0.00 C ATOM 1031 CD GLU A 67 1.723 -11.862 6.818 1.00 0.00 C ATOM 1032 OE1 GLU A 67 1.078 -11.954 7.884 1.00 0.00 O ATOM 1033 OE2 GLU A 67 2.871 -11.377 6.752 1.00 0.00 O ATOM 0 H GLU A 67 0.720 -11.531 2.670 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.915 -13.138 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.407 -10.516 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.684 -11.199 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.672 -13.361 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.837 -12.455 4.766 1.00 0.00 H new ATOM 1040 N ILE A 68 -2.493 -10.321 3.427 1.00 0.00 N ATOM 1041 CA ILE A 68 -3.806 -9.687 3.419 1.00 0.00 C ATOM 1042 C ILE A 68 -4.777 -10.446 2.521 1.00 0.00 C ATOM 1043 O ILE A 68 -5.828 -10.903 2.972 1.00 0.00 O ATOM 1044 CB ILE A 68 -3.721 -8.224 2.944 1.00 0.00 C ATOM 1045 CG1 ILE A 68 -2.801 -7.419 3.863 1.00 0.00 C ATOM 1046 CG2 ILE A 68 -5.109 -7.602 2.897 1.00 0.00 C ATOM 1047 CD1 ILE A 68 -2.194 -6.204 3.197 1.00 0.00 C ATOM 0 H ILE A 68 -1.759 -9.778 2.972 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.173 -9.707 4.445 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.302 -8.207 1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.365 -7.099 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.000 -8.066 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.033 -6.568 2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.736 -8.164 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.553 -7.627 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.553 -5.682 3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.602 -6.518 2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.989 -5.536 2.865 1.00 0.00 H new ATOM 1059 N LEU A 69 -4.418 -10.578 1.249 1.00 0.00 N ATOM 1060 CA LEU A 69 -5.257 -11.284 0.287 1.00 0.00 C ATOM 1061 C LEU A 69 -5.372 -12.762 0.646 1.00 0.00 C ATOM 1062 O LEU A 69 -6.465 -13.267 0.900 1.00 0.00 O ATOM 1063 CB LEU A 69 -4.687 -11.133 -1.124 1.00 0.00 C ATOM 1064 CG LEU A 69 -4.388 -9.703 -1.578 1.00 0.00 C ATOM 1065 CD1 LEU A 69 -3.610 -9.709 -2.884 1.00 0.00 C ATOM 1066 CD2 LEU A 69 -5.678 -8.910 -1.727 1.00 0.00 C ATOM 0 H LEU A 69 -3.552 -10.206 0.860 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.253 -10.843 0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.766 -11.713 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.391 -11.577 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.775 -9.221 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.407 -8.683 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.668 -10.239 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.197 -10.209 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.446 -7.895 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.317 -9.390 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.197 -8.876 -0.769 1.00 0.00 H new ATOM 1078 N SER A 70 -4.235 -13.450 0.666 1.00 0.00 N ATOM 1079 CA SER A 70 -4.207 -14.871 0.993 1.00 0.00 C ATOM 1080 C SER A 70 -5.266 -15.209 2.038 1.00 0.00 C ATOM 1081 O SER A 70 -6.021 -16.168 1.884 1.00 0.00 O ATOM 1082 CB SER A 70 -2.822 -15.272 1.505 1.00 0.00 C ATOM 1083 OG SER A 70 -2.618 -16.669 1.384 1.00 0.00 O ATOM 0 H SER A 70 -3.321 -13.047 0.460 1.00 0.00 H new ATOM 0 HA SER A 70 -4.426 -15.432 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.055 -14.739 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.717 -14.975 2.548 1.00 0.00 H new ATOM 0 HG SER A 70 -2.067 -16.852 0.594 1.00 0.00 H new ATOM 1089 N ASN A 71 -5.314 -14.414 3.101 1.00 0.00 N ATOM 1090 CA ASN A 71 -6.280 -14.628 4.173 1.00 0.00 C ATOM 1091 C ASN A 71 -7.621 -13.985 3.833 1.00 0.00 C ATOM 1092 O ASN A 71 -7.680 -12.821 3.440 1.00 0.00 O ATOM 1093 CB ASN A 71 -5.747 -14.057 5.489 1.00 0.00 C ATOM 1094 CG ASN A 71 -6.260 -14.816 6.698 1.00 0.00 C ATOM 1095 OD1 ASN A 71 -7.338 -14.525 7.215 1.00 0.00 O ATOM 1096 ND2 ASN A 71 -5.487 -15.795 7.153 1.00 0.00 N ATOM 0 H ASN A 71 -4.696 -13.616 3.244 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.430 -15.702 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.657 -14.087 5.480 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.037 -13.009 5.571 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.780 -16.341 7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.601 -16.001 6.692 1.00 0.00 H new ATOM 1103 N GLU A 72 -8.695 -14.754 3.988 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.036 -14.259 3.697 1.00 0.00 C ATOM 1105 C GLU A 72 -10.412 -13.120 4.641 1.00 0.00 C ATOM 1106 O GLU A 72 -10.892 -12.074 4.206 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.058 -15.391 3.814 1.00 0.00 C ATOM 1108 CG GLU A 72 -11.113 -16.021 5.196 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.985 -17.261 5.238 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -13.195 -17.146 4.953 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.456 -18.347 5.555 1.00 0.00 O ATOM 0 H GLU A 72 -8.663 -15.720 4.313 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.041 -13.879 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.045 -15.005 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.819 -16.162 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.103 -16.281 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.493 -15.290 5.910 1.00 0.00 H new ATOM 1118 N GLU A 73 -10.190 -13.333 5.934 1.00 0.00 N ATOM 1119 CA GLU A 73 -10.507 -12.325 6.939 1.00 0.00 C ATOM 1120 C GLU A 73 -9.888 -10.979 6.574 1.00 0.00 C ATOM 1121 O GLU A 73 -10.596 -10.016 6.278 1.00 0.00 O ATOM 1122 CB GLU A 73 -10.010 -12.771 8.315 1.00 0.00 C ATOM 1123 CG GLU A 73 -10.898 -13.813 8.975 1.00 0.00 C ATOM 1124 CD GLU A 73 -12.183 -13.223 9.522 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -12.119 -12.515 10.549 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.251 -13.469 8.925 1.00 0.00 O ATOM 0 H GLU A 73 -9.792 -14.194 6.310 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.590 -12.210 6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.003 -13.175 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.940 -11.900 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.139 -14.591 8.250 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.349 -14.292 9.786 1.00 0.00 H new ATOM 1133 N LYS A 74 -8.561 -10.920 6.597 1.00 0.00 N ATOM 1134 CA LYS A 74 -7.843 -9.693 6.268 1.00 0.00 C ATOM 1135 C LYS A 74 -8.239 -9.186 4.885 1.00 0.00 C ATOM 1136 O LYS A 74 -8.605 -8.022 4.723 1.00 0.00 O ATOM 1137 CB LYS A 74 -6.333 -9.932 6.322 1.00 0.00 C ATOM 1138 CG LYS A 74 -5.782 -10.026 7.735 1.00 0.00 C ATOM 1139 CD LYS A 74 -5.942 -11.427 8.303 1.00 0.00 C ATOM 1140 CE LYS A 74 -5.265 -11.558 9.659 1.00 0.00 C ATOM 1141 NZ LYS A 74 -5.881 -12.635 10.483 1.00 0.00 N ATOM 0 H LYS A 74 -7.960 -11.708 6.840 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.111 -8.935 7.004 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.100 -10.853 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.826 -9.122 5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.727 -9.751 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.298 -9.311 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.002 -11.663 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.516 -12.153 7.610 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.205 -11.770 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.332 -10.609 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.393 -12.693 11.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.886 -12.420 10.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.795 -13.545 9.986 1.00 0.00 H new ATOM 1155 N ARG A 75 -8.164 -10.066 3.893 1.00 0.00 N ATOM 1156 CA ARG A 75 -8.515 -9.707 2.524 1.00 0.00 C ATOM 1157 C ARG A 75 -9.845 -8.959 2.482 1.00 0.00 C ATOM 1158 O ARG A 75 -9.908 -7.805 2.058 1.00 0.00 O ATOM 1159 CB ARG A 75 -8.594 -10.959 1.649 1.00 0.00 C ATOM 1160 CG ARG A 75 -8.991 -10.673 0.210 1.00 0.00 C ATOM 1161 CD ARG A 75 -9.279 -11.956 -0.554 1.00 0.00 C ATOM 1162 NE ARG A 75 -10.683 -12.348 -0.456 1.00 0.00 N ATOM 1163 CZ ARG A 75 -11.642 -11.844 -1.224 1.00 0.00 C ATOM 1164 NH1 ARG A 75 -11.351 -10.933 -2.142 1.00 0.00 N ATOM 1165 NH2 ARG A 75 -12.896 -12.251 -1.075 1.00 0.00 N ATOM 0 H ARG A 75 -7.863 -11.033 4.011 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.736 -9.051 2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.626 -11.459 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.314 -11.652 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.874 -10.034 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.191 -10.124 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -9.013 -11.821 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.651 -12.758 -0.166 1.00 0.00 H new ATOM 0 HE ARG A 75 -10.941 -13.047 0.241 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.388 -10.617 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.090 -10.548 -2.730 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.124 -12.952 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.632 -11.863 -1.666 1.00 0.00 H new ATOM 1179 N THR A 76 -10.907 -9.626 2.924 1.00 0.00 N ATOM 1180 CA THR A 76 -12.235 -9.026 2.936 1.00 0.00 C ATOM 1181 C THR A 76 -12.269 -7.783 3.817 1.00 0.00 C ATOM 1182 O THR A 76 -12.622 -6.697 3.359 1.00 0.00 O ATOM 1183 CB THR A 76 -13.297 -10.024 3.435 1.00 0.00 C ATOM 1184 OG1 THR A 76 -13.375 -11.143 2.544 1.00 0.00 O ATOM 1185 CG2 THR A 76 -14.660 -9.357 3.539 1.00 0.00 C ATOM 0 H THR A 76 -10.873 -10.582 3.278 1.00 0.00 H new ATOM 0 HA THR A 76 -12.464 -8.745 1.908 1.00 0.00 H new ATOM 0 HB THR A 76 -13.002 -10.369 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.659 -11.778 2.753 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.393 -10.081 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.605 -8.524 4.240 1.00 0.00 H new ATOM 0 HG23 THR A 76 -14.960 -8.987 2.559 1.00 0.00 H new ATOM 1193 N ASN A 77 -11.900 -7.949 5.083 1.00 0.00 N ATOM 1194 CA ASN A 77 -11.889 -6.839 6.028 1.00 0.00 C ATOM 1195 C ASN A 77 -11.337 -5.575 5.376 1.00 0.00 C ATOM 1196 O ASN A 77 -11.876 -4.483 5.559 1.00 0.00 O ATOM 1197 CB ASN A 77 -11.052 -7.198 7.258 1.00 0.00 C ATOM 1198 CG ASN A 77 -10.483 -5.973 7.947 1.00 0.00 C ATOM 1199 OD1 ASN A 77 -11.206 -5.223 8.603 1.00 0.00 O ATOM 1200 ND2 ASN A 77 -9.179 -5.764 7.800 1.00 0.00 N ATOM 0 H ASN A 77 -11.605 -8.842 5.478 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.916 -6.648 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.668 -7.755 7.964 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.236 -7.856 6.959 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.739 -4.956 8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.618 -6.412 7.247 1.00 0.00 H new ATOM 1207 N TYR A 78 -10.260 -5.730 4.614 1.00 0.00 N ATOM 1208 CA TYR A 78 -9.634 -4.602 3.935 1.00 0.00 C ATOM 1209 C TYR A 78 -10.610 -3.939 2.967 1.00 0.00 C ATOM 1210 O TYR A 78 -10.813 -2.726 3.006 1.00 0.00 O ATOM 1211 CB TYR A 78 -8.385 -5.062 3.182 1.00 0.00 C ATOM 1212 CG TYR A 78 -8.001 -4.155 2.035 1.00 0.00 C ATOM 1213 CD1 TYR A 78 -8.147 -2.777 2.134 1.00 0.00 C ATOM 1214 CD2 TYR A 78 -7.491 -4.676 0.852 1.00 0.00 C ATOM 1215 CE1 TYR A 78 -7.798 -1.944 1.088 1.00 0.00 C ATOM 1216 CE2 TYR A 78 -7.138 -3.851 -0.198 1.00 0.00 C ATOM 1217 CZ TYR A 78 -7.294 -2.486 -0.076 1.00 0.00 C ATOM 1218 OH TYR A 78 -6.944 -1.661 -1.120 1.00 0.00 O ATOM 0 H TYR A 78 -9.802 -6.627 4.451 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.346 -3.871 4.690 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.551 -5.122 3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.552 -6.068 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.540 -2.349 3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.369 -5.744 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.919 -0.875 1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.742 -4.273 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.973 -1.689 -1.247 1.00 0.00 H new ATOM 1228 N ASP A 79 -11.211 -4.745 2.099 1.00 0.00 N ATOM 1229 CA ASP A 79 -12.167 -4.239 1.121 1.00 0.00 C ATOM 1230 C ASP A 79 -13.328 -3.530 1.812 1.00 0.00 C ATOM 1231 O ASP A 79 -13.901 -2.584 1.272 1.00 0.00 O ATOM 1232 CB ASP A 79 -12.695 -5.383 0.254 1.00 0.00 C ATOM 1233 CG ASP A 79 -13.939 -6.024 0.836 1.00 0.00 C ATOM 1234 OD1 ASP A 79 -14.966 -5.324 0.958 1.00 0.00 O ATOM 1235 OD2 ASP A 79 -13.886 -7.227 1.171 1.00 0.00 O ATOM 0 H ASP A 79 -11.053 -5.752 2.053 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.652 -3.519 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.917 -5.006 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.918 -6.139 0.143 1.00 0.00 H new ATOM 1240 N HIS A 80 -13.670 -3.995 3.009 1.00 0.00 N ATOM 1241 CA HIS A 80 -14.763 -3.406 3.774 1.00 0.00 C ATOM 1242 C HIS A 80 -14.518 -1.920 4.015 1.00 0.00 C ATOM 1243 O HIS A 80 -15.350 -1.080 3.672 1.00 0.00 O ATOM 1244 CB HIS A 80 -14.927 -4.131 5.110 1.00 0.00 C ATOM 1245 CG HIS A 80 -16.187 -3.770 5.837 1.00 0.00 C ATOM 1246 ND1 HIS A 80 -16.232 -2.826 6.841 1.00 0.00 N ATOM 1247 CD2 HIS A 80 -17.451 -4.232 5.698 1.00 0.00 C ATOM 1248 CE1 HIS A 80 -17.471 -2.724 7.290 1.00 0.00 C ATOM 1249 NE2 HIS A 80 -18.230 -3.566 6.613 1.00 0.00 N ATOM 0 H HIS A 80 -13.206 -4.778 3.470 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.680 -3.516 3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.914 -5.207 4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -14.072 -3.902 5.746 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -17.785 -4.984 4.998 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.806 -2.064 8.077 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -19.232 -3.700 6.747 1.00 0.00 H new ATOM 1257 N TYR A 81 -13.372 -1.602 4.607 1.00 0.00 N ATOM 1258 CA TYR A 81 -13.019 -0.218 4.897 1.00 0.00 C ATOM 1259 C TYR A 81 -12.514 0.490 3.643 1.00 0.00 C ATOM 1260 O TYR A 81 -12.544 1.716 3.554 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.954 -0.159 5.993 1.00 0.00 C ATOM 1262 CG TYR A 81 -12.504 -0.380 7.384 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -13.048 0.671 8.112 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -12.480 -1.639 7.970 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -13.551 0.474 9.384 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -12.982 -1.846 9.241 1.00 0.00 C ATOM 1267 CZ TYR A 81 -13.516 -0.786 9.944 1.00 0.00 C ATOM 1268 OH TYR A 81 -14.017 -0.987 11.209 1.00 0.00 O ATOM 0 H TYR A 81 -12.671 -2.285 4.895 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.917 0.293 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.192 -0.911 5.789 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -11.460 0.812 5.957 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.078 1.659 7.676 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.062 -2.471 7.423 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.969 1.302 9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -12.956 -2.832 9.681 1.00 0.00 H new ATOM 0 HH TYR A 81 -13.917 -1.931 11.454 1.00 0.00 H new ATOM 1278 N GLY A 82 -12.050 -0.295 2.676 1.00 0.00 N ATOM 1279 CA GLY A 82 -11.545 0.272 1.439 1.00 0.00 C ATOM 1280 C GLY A 82 -10.124 0.783 1.573 1.00 0.00 C ATOM 1281 O GLY A 82 -9.429 0.976 0.575 1.00 0.00 O ATOM 0 H GLY A 82 -12.015 -1.313 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.584 -0.483 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.194 1.090 1.126 1.00 0.00 H new ATOM 1285 N SER A 83 -9.691 1.005 2.810 1.00 0.00 N ATOM 1286 CA SER A 83 -8.345 1.502 3.071 1.00 0.00 C ATOM 1287 C SER A 83 -7.403 0.358 3.432 1.00 0.00 C ATOM 1288 O SER A 83 -6.489 0.030 2.678 1.00 0.00 O ATOM 1289 CB SER A 83 -8.370 2.533 4.201 1.00 0.00 C ATOM 1290 OG SER A 83 -7.198 3.329 4.192 1.00 0.00 O ATOM 0 H SER A 83 -10.253 0.849 3.647 1.00 0.00 H new ATOM 0 HA SER A 83 -7.978 1.978 2.162 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.247 3.171 4.096 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.460 2.023 5.160 1.00 0.00 H new ATOM 0 HG SER A 83 -7.240 3.981 4.923 1.00 0.00 H new ATOM 1296 N GLY A 84 -7.635 -0.247 4.593 1.00 0.00 N ATOM 1297 CA GLY A 84 -6.800 -1.349 5.036 1.00 0.00 C ATOM 1298 C GLY A 84 -7.133 -1.800 6.444 1.00 0.00 C ATOM 1299 O GLY A 84 -8.232 -1.570 6.949 1.00 0.00 O ATOM 0 H GLY A 84 -8.386 0.006 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.919 -2.189 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.753 -1.048 4.992 1.00 0.00 H new ATOM 1303 N PRO A 85 -6.168 -2.460 7.102 1.00 0.00 N ATOM 1304 CA PRO A 85 -6.341 -2.959 8.469 1.00 0.00 C ATOM 1305 C PRO A 85 -6.405 -1.832 9.494 1.00 0.00 C ATOM 1306 O PRO A 85 -5.815 -0.769 9.299 1.00 0.00 O ATOM 1307 CB PRO A 85 -5.094 -3.818 8.694 1.00 0.00 C ATOM 1308 CG PRO A 85 -4.074 -3.255 7.765 1.00 0.00 C ATOM 1309 CD PRO A 85 -4.834 -2.769 6.561 1.00 0.00 C ATOM 0 HA PRO A 85 -7.277 -3.504 8.588 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -4.758 -3.765 9.730 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.292 -4.868 8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.525 -2.439 8.236 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.341 -4.012 7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.366 -1.890 6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.883 -3.530 5.782 1.00 0.00 H new ATOM 1317 N SER A 86 -7.123 -2.072 10.587 1.00 0.00 N ATOM 1318 CA SER A 86 -7.265 -1.075 11.641 1.00 0.00 C ATOM 1319 C SER A 86 -6.346 -1.393 12.817 1.00 0.00 C ATOM 1320 O SER A 86 -5.914 -2.532 12.991 1.00 0.00 O ATOM 1321 CB SER A 86 -8.717 -1.010 12.118 1.00 0.00 C ATOM 1322 OG SER A 86 -9.573 -0.550 11.086 1.00 0.00 O ATOM 0 H SER A 86 -7.615 -2.948 10.765 1.00 0.00 H new ATOM 0 HA SER A 86 -6.980 -0.106 11.231 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.039 -1.997 12.449 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.791 -0.346 12.979 1.00 0.00 H new ATOM 0 HG SER A 86 -10.495 -0.519 11.416 1.00 0.00 H new ATOM 1328 N SER A 87 -6.051 -0.376 13.621 1.00 0.00 N ATOM 1329 CA SER A 87 -5.180 -0.544 14.778 1.00 0.00 C ATOM 1330 C SER A 87 -5.983 -0.960 16.007 1.00 0.00 C ATOM 1331 O SER A 87 -5.632 -1.914 16.699 1.00 0.00 O ATOM 1332 CB SER A 87 -4.422 0.753 15.065 1.00 0.00 C ATOM 1333 OG SER A 87 -3.237 0.499 15.800 1.00 0.00 O ATOM 0 H SER A 87 -6.403 0.573 13.492 1.00 0.00 H new ATOM 0 HA SER A 87 -4.463 -1.333 14.550 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.172 1.247 14.126 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.062 1.436 15.625 1.00 0.00 H new ATOM 0 HG SER A 87 -2.770 1.344 15.969 1.00 0.00 H new ATOM 1339 N GLY A 88 -7.066 -0.235 16.272 1.00 0.00 N ATOM 1340 CA GLY A 88 -7.903 -0.542 17.416 1.00 0.00 C ATOM 1341 C GLY A 88 -7.623 0.364 18.599 1.00 0.00 C ATOM 1342 O GLY A 88 -8.198 1.446 18.710 1.00 0.00 O ATOM 0 H GLY A 88 -7.378 0.560 15.714 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -8.951 -0.449 17.131 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.744 -1.579 17.711 1.00 0.00 H new TER 1346 GLY A 88