USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 837 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 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 25:sc= 0.968 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -146:sc= 0 (180deg=-0.0898) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 7:sc= 0.127 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.4!) USER MOD Single : A 42 SER OG : rot 44:sc= 1 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= -2.98 (180deg=-5.81!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -6.74! C(o=-6.7!,f=-7.2!) USER MOD Single : A 64 HIS : no HE2:sc= -5.5! X(o=-5.5!,f=-5.2) USER MOD Single : A 66 MET CE :methyl -170:sc= 0 (180deg=-0.208) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 68:sc= 1.1 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.51) USER MOD Single : A 86 THR OG1 : rot 25:sc= 0.168 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.878 K(o=-0.88,f=-3.1!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 56:sc= 0.245 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.672 -6.382 -16.306 1.00 0.00 N ATOM 2 CA GLY A 1 -13.782 -4.945 -16.476 1.00 0.00 C ATOM 3 C GLY A 1 -15.196 -4.506 -16.803 1.00 0.00 C ATOM 4 O GLY A 1 -16.126 -4.766 -16.040 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.687 -6.631 -16.084 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.290 -6.688 -15.528 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.960 -6.859 -17.184 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.453 -4.448 -15.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.112 -4.624 -17.273 1.00 0.00 H new ATOM 8 N SER A 2 -15.358 -3.836 -17.939 1.00 0.00 N ATOM 9 CA SER A 2 -16.668 -3.355 -18.363 1.00 0.00 C ATOM 10 C SER A 2 -17.215 -2.330 -17.374 1.00 0.00 C ATOM 11 O SER A 2 -18.398 -2.350 -17.034 1.00 0.00 O ATOM 12 CB SER A 2 -17.645 -4.524 -18.497 1.00 0.00 C ATOM 13 OG SER A 2 -17.571 -5.105 -19.787 1.00 0.00 O ATOM 0 H SER A 2 -14.599 -3.614 -18.583 1.00 0.00 H new ATOM 0 HA SER A 2 -16.555 -2.873 -19.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.421 -5.278 -17.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.661 -4.176 -18.309 1.00 0.00 H new ATOM 0 HG SER A 2 -18.204 -5.851 -19.847 1.00 0.00 H new ATOM 19 N SER A 3 -16.346 -1.435 -16.917 1.00 0.00 N ATOM 20 CA SER A 3 -16.740 -0.404 -15.964 1.00 0.00 C ATOM 21 C SER A 3 -16.307 0.977 -16.448 1.00 0.00 C ATOM 22 O SER A 3 -15.257 1.128 -17.071 1.00 0.00 O ATOM 23 CB SER A 3 -16.131 -0.689 -14.590 1.00 0.00 C ATOM 24 OG SER A 3 -16.366 0.384 -13.695 1.00 0.00 O ATOM 0 H SER A 3 -15.364 -1.403 -17.191 1.00 0.00 H new ATOM 0 HA SER A 3 -17.827 -0.417 -15.881 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.557 -1.606 -14.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.058 -0.854 -14.691 1.00 0.00 H new ATOM 0 HG SER A 3 -15.968 0.176 -12.824 1.00 0.00 H new ATOM 30 N GLY A 4 -17.126 1.983 -16.156 1.00 0.00 N ATOM 31 CA GLY A 4 -16.812 3.339 -16.568 1.00 0.00 C ATOM 32 C GLY A 4 -17.320 4.376 -15.587 1.00 0.00 C ATOM 33 O GLY A 4 -18.138 4.071 -14.719 1.00 0.00 O ATOM 0 H GLY A 4 -18.001 1.883 -15.642 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.732 3.442 -16.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.248 3.527 -17.549 1.00 0.00 H new ATOM 37 N SER A 5 -16.835 5.606 -15.723 1.00 0.00 N ATOM 38 CA SER A 5 -17.241 6.690 -14.837 1.00 0.00 C ATOM 39 C SER A 5 -16.937 8.047 -15.466 1.00 0.00 C ATOM 40 O SER A 5 -16.375 8.126 -16.558 1.00 0.00 O ATOM 41 CB SER A 5 -16.530 6.570 -13.488 1.00 0.00 C ATOM 42 OG SER A 5 -17.164 5.610 -12.661 1.00 0.00 O ATOM 0 H SER A 5 -16.160 5.877 -16.439 1.00 0.00 H new ATOM 0 HA SER A 5 -18.317 6.614 -14.679 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.489 6.288 -13.646 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.525 7.539 -12.988 1.00 0.00 H new ATOM 0 HG SER A 5 -17.639 4.960 -13.220 1.00 0.00 H new ATOM 48 N SER A 6 -17.314 9.113 -14.767 1.00 0.00 N ATOM 49 CA SER A 6 -17.086 10.468 -15.257 1.00 0.00 C ATOM 50 C SER A 6 -16.309 11.291 -14.235 1.00 0.00 C ATOM 51 O SER A 6 -16.123 10.871 -13.093 1.00 0.00 O ATOM 52 CB SER A 6 -18.419 11.150 -15.571 1.00 0.00 C ATOM 53 OG SER A 6 -18.915 10.743 -16.834 1.00 0.00 O ATOM 0 H SER A 6 -17.778 9.065 -13.860 1.00 0.00 H new ATOM 0 HA SER A 6 -16.495 10.403 -16.171 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.146 10.908 -14.796 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.289 12.232 -15.559 1.00 0.00 H new ATOM 0 HG SER A 6 -19.768 11.191 -17.010 1.00 0.00 H new ATOM 59 N GLY A 7 -15.855 12.469 -14.654 1.00 0.00 N ATOM 60 CA GLY A 7 -15.103 13.334 -13.764 1.00 0.00 C ATOM 61 C GLY A 7 -13.699 12.822 -13.508 1.00 0.00 C ATOM 62 O GLY A 7 -13.262 11.853 -14.128 1.00 0.00 O ATOM 0 H GLY A 7 -15.995 12.839 -15.594 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.049 14.334 -14.194 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.633 13.423 -12.815 1.00 0.00 H new ATOM 66 N MET A 8 -12.991 13.475 -12.593 1.00 0.00 N ATOM 67 CA MET A 8 -11.628 13.079 -12.257 1.00 0.00 C ATOM 68 C MET A 8 -11.498 12.788 -10.765 1.00 0.00 C ATOM 69 O MET A 8 -11.174 13.675 -9.976 1.00 0.00 O ATOM 70 CB MET A 8 -10.641 14.176 -12.662 1.00 0.00 C ATOM 71 CG MET A 8 -10.556 14.393 -14.164 1.00 0.00 C ATOM 72 SD MET A 8 -9.950 16.035 -14.596 1.00 0.00 S ATOM 73 CE MET A 8 -8.180 15.782 -14.488 1.00 0.00 C ATOM 0 H MET A 8 -13.338 14.280 -12.071 1.00 0.00 H new ATOM 0 HA MET A 8 -11.395 12.168 -12.808 1.00 0.00 H new ATOM 0 HB2 MET A 8 -10.934 15.111 -12.184 1.00 0.00 H new ATOM 0 HB3 MET A 8 -9.651 13.921 -12.284 1.00 0.00 H new ATOM 0 HG2 MET A 8 -9.898 13.641 -14.599 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.542 14.246 -14.605 1.00 0.00 H new ATOM 0 HE1 MET A 8 -7.664 16.712 -14.729 1.00 0.00 H new ATOM 0 HE2 MET A 8 -7.918 15.473 -13.476 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.879 15.007 -15.193 1.00 0.00 H new ATOM 83 N MET A 9 -11.754 11.540 -10.386 1.00 0.00 N ATOM 84 CA MET A 9 -11.664 11.133 -8.988 1.00 0.00 C ATOM 85 C MET A 9 -10.336 10.438 -8.708 1.00 0.00 C ATOM 86 O MET A 9 -10.037 9.394 -9.290 1.00 0.00 O ATOM 87 CB MET A 9 -12.825 10.204 -8.630 1.00 0.00 C ATOM 88 CG MET A 9 -14.189 10.766 -8.996 1.00 0.00 C ATOM 89 SD MET A 9 -14.921 11.736 -7.663 1.00 0.00 S ATOM 90 CE MET A 9 -14.493 13.397 -8.178 1.00 0.00 C ATOM 0 H MET A 9 -12.025 10.794 -11.026 1.00 0.00 H new ATOM 0 HA MET A 9 -11.721 12.029 -8.370 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.686 9.250 -9.138 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.800 10.001 -7.559 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.094 11.390 -9.884 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.859 9.945 -9.253 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.306 14.014 -7.299 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.597 13.366 -8.797 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.316 13.823 -8.752 1.00 0.00 H new ATOM 100 N ILE A 10 -9.544 11.022 -7.816 1.00 0.00 N ATOM 101 CA ILE A 10 -8.248 10.457 -7.459 1.00 0.00 C ATOM 102 C ILE A 10 -8.405 9.078 -6.828 1.00 0.00 C ATOM 103 O ILE A 10 -7.806 8.104 -7.283 1.00 0.00 O ATOM 104 CB ILE A 10 -7.484 11.372 -6.484 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.251 12.746 -7.116 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.162 10.735 -6.086 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.481 12.690 -8.417 1.00 0.00 C ATOM 0 H ILE A 10 -9.777 11.886 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.677 10.368 -8.383 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.086 11.504 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.215 13.223 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.709 13.375 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.634 11.394 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.351 9.778 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.552 10.576 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.353 13.699 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.503 12.242 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.032 12.088 -9.140 1.00 0.00 H new ATOM 119 N ARG A 11 -9.215 9.003 -5.777 1.00 0.00 N ATOM 120 CA ARG A 11 -9.451 7.743 -5.083 1.00 0.00 C ATOM 121 C ARG A 11 -9.633 6.600 -6.077 1.00 0.00 C ATOM 122 O ARG A 11 -8.860 5.642 -6.083 1.00 0.00 O ATOM 123 CB ARG A 11 -10.686 7.854 -4.186 1.00 0.00 C ATOM 124 CG ARG A 11 -10.485 8.758 -2.981 1.00 0.00 C ATOM 125 CD ARG A 11 -11.608 8.596 -1.969 1.00 0.00 C ATOM 126 NE ARG A 11 -12.922 8.593 -2.606 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.534 7.490 -3.023 1.00 0.00 C ATOM 128 NH1 ARG A 11 -12.954 6.308 -2.871 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.730 7.569 -3.594 1.00 0.00 N ATOM 0 H ARG A 11 -9.719 9.800 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.579 7.529 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.521 8.231 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.964 6.858 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.531 8.528 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.436 9.797 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.469 7.665 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.560 9.406 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.396 9.487 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.035 6.243 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.426 5.463 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.179 8.477 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.199 6.722 -3.914 1.00 0.00 H new ATOM 143 N GLU A 12 -10.659 6.709 -6.916 1.00 0.00 N ATOM 144 CA GLU A 12 -10.941 5.684 -7.913 1.00 0.00 C ATOM 145 C GLU A 12 -9.665 5.259 -8.633 1.00 0.00 C ATOM 146 O GLU A 12 -9.351 4.071 -8.715 1.00 0.00 O ATOM 147 CB GLU A 12 -11.966 6.196 -8.927 1.00 0.00 C ATOM 148 CG GLU A 12 -13.407 6.027 -8.475 1.00 0.00 C ATOM 149 CD GLU A 12 -14.404 6.470 -9.528 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.156 7.503 -10.184 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.434 5.783 -9.695 1.00 0.00 O ATOM 0 H GLU A 12 -11.308 7.496 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.353 4.816 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.776 7.252 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.826 5.668 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.586 4.981 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.568 6.602 -7.563 1.00 0.00 H new ATOM 158 N ARG A 13 -8.933 6.238 -9.155 1.00 0.00 N ATOM 159 CA ARG A 13 -7.692 5.967 -9.870 1.00 0.00 C ATOM 160 C ARG A 13 -6.751 5.115 -9.023 1.00 0.00 C ATOM 161 O ARG A 13 -6.071 4.226 -9.537 1.00 0.00 O ATOM 162 CB ARG A 13 -7.003 7.277 -10.255 1.00 0.00 C ATOM 163 CG ARG A 13 -7.710 8.034 -11.367 1.00 0.00 C ATOM 164 CD ARG A 13 -6.857 9.179 -11.892 1.00 0.00 C ATOM 165 NE ARG A 13 -7.391 9.735 -13.132 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.959 10.868 -13.675 1.00 0.00 C ATOM 167 NH1 ARG A 13 -5.992 11.561 -13.090 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.495 11.309 -14.806 1.00 0.00 N ATOM 0 H ARG A 13 -9.178 7.226 -9.096 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.938 5.414 -10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.940 7.917 -9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.981 7.062 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.944 7.350 -12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.658 8.425 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.800 9.964 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.840 8.825 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.136 9.226 -13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.578 11.225 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.662 12.430 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.239 10.778 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.163 12.179 -15.223 1.00 0.00 H new ATOM 182 N ILE A 14 -6.719 5.392 -7.724 1.00 0.00 N ATOM 183 CA ILE A 14 -5.863 4.650 -6.807 1.00 0.00 C ATOM 184 C ILE A 14 -6.265 3.181 -6.745 1.00 0.00 C ATOM 185 O ILE A 14 -5.535 2.308 -7.214 1.00 0.00 O ATOM 186 CB ILE A 14 -5.912 5.244 -5.386 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.501 6.717 -5.411 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.011 4.453 -4.450 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.595 7.394 -4.062 1.00 0.00 C ATOM 0 H ILE A 14 -7.276 6.124 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.846 4.730 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.935 5.178 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.477 6.794 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.133 7.250 -6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.056 4.885 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.345 3.416 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.985 4.490 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.288 8.436 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.623 7.349 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.941 6.886 -3.353 1.00 0.00 H new ATOM 201 N GLU A 15 -7.432 2.916 -6.166 1.00 0.00 N ATOM 202 CA GLU A 15 -7.931 1.551 -6.045 1.00 0.00 C ATOM 203 C GLU A 15 -7.980 0.867 -7.408 1.00 0.00 C ATOM 204 O GLU A 15 -7.419 -0.213 -7.592 1.00 0.00 O ATOM 205 CB GLU A 15 -9.323 1.548 -5.411 1.00 0.00 C ATOM 206 CG GLU A 15 -9.311 1.815 -3.915 1.00 0.00 C ATOM 207 CD GLU A 15 -10.696 1.755 -3.300 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.403 2.784 -3.329 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.073 0.679 -2.791 1.00 0.00 O ATOM 0 H GLU A 15 -8.049 3.627 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.246 0.996 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.938 2.303 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.795 0.583 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.668 1.084 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.877 2.797 -3.729 1.00 0.00 H new ATOM 216 N GLU A 16 -8.655 1.504 -8.360 1.00 0.00 N ATOM 217 CA GLU A 16 -8.778 0.956 -9.705 1.00 0.00 C ATOM 218 C GLU A 16 -7.513 0.202 -10.104 1.00 0.00 C ATOM 219 O GLU A 16 -7.578 -0.862 -10.721 1.00 0.00 O ATOM 220 CB GLU A 16 -9.057 2.074 -10.712 1.00 0.00 C ATOM 221 CG GLU A 16 -10.528 2.438 -10.825 1.00 0.00 C ATOM 222 CD GLU A 16 -10.821 3.317 -12.025 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.328 4.464 -12.056 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.543 2.857 -12.934 1.00 0.00 O ATOM 0 H GLU A 16 -9.125 2.399 -8.224 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.614 0.256 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.493 2.961 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.691 1.769 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.120 1.525 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.842 2.953 -9.917 1.00 0.00 H new ATOM 231 N LYS A 17 -6.362 0.761 -9.747 1.00 0.00 N ATOM 232 CA LYS A 17 -5.080 0.143 -10.066 1.00 0.00 C ATOM 233 C LYS A 17 -4.772 -0.999 -9.103 1.00 0.00 C ATOM 234 O LYS A 17 -4.711 -2.163 -9.503 1.00 0.00 O ATOM 235 CB LYS A 17 -3.961 1.185 -10.011 1.00 0.00 C ATOM 236 CG LYS A 17 -3.934 2.113 -11.214 1.00 0.00 C ATOM 237 CD LYS A 17 -3.112 1.529 -12.351 1.00 0.00 C ATOM 238 CE LYS A 17 -2.952 2.523 -13.490 1.00 0.00 C ATOM 239 NZ LYS A 17 -4.154 2.558 -14.369 1.00 0.00 N ATOM 0 H LYS A 17 -6.290 1.641 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.142 -0.263 -11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.075 1.781 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.002 0.672 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.953 2.296 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.518 3.077 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.129 1.239 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.593 0.624 -12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.772 3.517 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.076 2.258 -14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.005 3.248 -15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.312 1.615 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.985 2.835 -13.809 1.00 0.00 H new ATOM 253 N LEU A 18 -4.581 -0.661 -7.832 1.00 0.00 N ATOM 254 CA LEU A 18 -4.281 -1.659 -6.812 1.00 0.00 C ATOM 255 C LEU A 18 -5.028 -2.960 -7.086 1.00 0.00 C ATOM 256 O LEU A 18 -4.457 -4.047 -6.992 1.00 0.00 O ATOM 257 CB LEU A 18 -4.652 -1.127 -5.426 1.00 0.00 C ATOM 258 CG LEU A 18 -4.087 0.246 -5.061 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.658 0.722 -3.734 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.567 0.199 -5.003 1.00 0.00 C ATOM 0 H LEU A 18 -4.629 0.297 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.211 -1.863 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.739 -1.081 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.314 -1.847 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.379 0.956 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.245 1.701 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.743 0.795 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.396 0.012 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.182 1.185 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.254 -0.524 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.175 -0.098 -5.976 1.00 0.00 H new ATOM 272 N ARG A 19 -6.307 -2.842 -7.429 1.00 0.00 N ATOM 273 CA ARG A 19 -7.131 -4.008 -7.718 1.00 0.00 C ATOM 274 C ARG A 19 -6.352 -5.036 -8.534 1.00 0.00 C ATOM 275 O ARG A 19 -6.291 -6.211 -8.174 1.00 0.00 O ATOM 276 CB ARG A 19 -8.394 -3.592 -8.475 1.00 0.00 C ATOM 277 CG ARG A 19 -9.479 -3.017 -7.580 1.00 0.00 C ATOM 278 CD ARG A 19 -10.289 -4.116 -6.911 1.00 0.00 C ATOM 279 NE ARG A 19 -11.221 -4.751 -7.839 1.00 0.00 N ATOM 280 CZ ARG A 19 -11.787 -5.933 -7.618 1.00 0.00 C ATOM 281 NH1 ARG A 19 -11.517 -6.603 -6.507 1.00 0.00 N ATOM 282 NH2 ARG A 19 -12.625 -6.445 -8.510 1.00 0.00 N ATOM 0 H ARG A 19 -6.794 -1.950 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.417 -4.463 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.128 -2.852 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.792 -4.458 -9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.026 -2.383 -6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.141 -2.383 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.613 -4.868 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.843 -3.698 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.450 -4.261 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.873 -6.212 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.953 -7.510 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.835 -5.931 -9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.059 -7.352 -8.340 1.00 0.00 H new ATOM 296 N ALA A 20 -5.758 -4.584 -9.633 1.00 0.00 N ATOM 297 CA ALA A 20 -4.982 -5.464 -10.499 1.00 0.00 C ATOM 298 C ALA A 20 -3.512 -5.474 -10.094 1.00 0.00 C ATOM 299 O ALA A 20 -2.807 -6.461 -10.303 1.00 0.00 O ATOM 300 CB ALA A 20 -5.128 -5.038 -11.952 1.00 0.00 C ATOM 0 H ALA A 20 -5.799 -3.614 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.370 -6.477 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.543 -5.704 -12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.177 -5.089 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.768 -4.016 -12.069 1.00 0.00 H new ATOM 306 N ALA A 21 -3.055 -4.369 -9.514 1.00 0.00 N ATOM 307 CA ALA A 21 -1.668 -4.251 -9.079 1.00 0.00 C ATOM 308 C ALA A 21 -1.267 -5.432 -8.201 1.00 0.00 C ATOM 309 O ALA A 21 -0.371 -6.201 -8.550 1.00 0.00 O ATOM 310 CB ALA A 21 -1.458 -2.941 -8.335 1.00 0.00 C ATOM 0 H ALA A 21 -3.625 -3.542 -9.334 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.032 -4.258 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.418 -2.866 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.696 -2.106 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.109 -2.911 -7.461 1.00 0.00 H new ATOM 316 N PHE A 22 -1.934 -5.568 -7.060 1.00 0.00 N ATOM 317 CA PHE A 22 -1.645 -6.654 -6.131 1.00 0.00 C ATOM 318 C PHE A 22 -2.807 -7.642 -6.070 1.00 0.00 C ATOM 319 O PHE A 22 -2.602 -8.852 -5.990 1.00 0.00 O ATOM 320 CB PHE A 22 -1.361 -6.097 -4.735 1.00 0.00 C ATOM 321 CG PHE A 22 -0.297 -5.037 -4.718 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.044 -5.383 -4.697 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.639 -3.694 -4.721 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.026 -4.409 -4.682 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.338 -2.716 -4.706 1.00 0.00 C ATOM 326 CZ PHE A 22 1.672 -3.074 -4.685 1.00 0.00 C ATOM 0 H PHE A 22 -2.678 -4.940 -6.756 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.762 -7.181 -6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.282 -5.683 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.059 -6.915 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.326 -6.425 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.680 -3.408 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.068 -4.692 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.058 -1.673 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.437 -2.311 -4.671 1.00 0.00 H new ATOM 336 N GLN A 23 -4.027 -7.114 -6.108 1.00 0.00 N ATOM 337 CA GLN A 23 -5.221 -7.948 -6.056 1.00 0.00 C ATOM 338 C GLN A 23 -5.417 -8.533 -4.660 1.00 0.00 C ATOM 339 O GLN A 23 -5.565 -9.742 -4.482 1.00 0.00 O ATOM 340 CB GLN A 23 -5.127 -9.076 -7.085 1.00 0.00 C ATOM 341 CG GLN A 23 -4.397 -8.679 -8.358 1.00 0.00 C ATOM 342 CD GLN A 23 -4.655 -9.638 -9.502 1.00 0.00 C ATOM 343 OE1 GLN A 23 -3.771 -10.396 -9.903 1.00 0.00 O ATOM 344 NE2 GLN A 23 -5.870 -9.610 -10.036 1.00 0.00 N ATOM 0 H GLN A 23 -4.214 -6.113 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.081 -7.321 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.616 -9.927 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.133 -9.407 -7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.707 -7.676 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.326 -8.636 -8.160 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.572 -8.966 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.101 -10.233 -10.810 1.00 0.00 H new ATOM 353 N PRO A 24 -5.417 -7.655 -3.646 1.00 0.00 N ATOM 354 CA PRO A 24 -5.593 -8.061 -2.248 1.00 0.00 C ATOM 355 C PRO A 24 -7.010 -8.545 -1.960 1.00 0.00 C ATOM 356 O PRO A 24 -7.807 -8.746 -2.876 1.00 0.00 O ATOM 357 CB PRO A 24 -5.296 -6.779 -1.466 1.00 0.00 C ATOM 358 CG PRO A 24 -5.597 -5.675 -2.420 1.00 0.00 C ATOM 359 CD PRO A 24 -5.246 -6.199 -3.785 1.00 0.00 C ATOM 0 HA PRO A 24 -4.947 -8.898 -1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.915 -6.709 -0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.257 -6.747 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.648 -5.392 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.015 -4.785 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.901 -5.789 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.225 -5.939 -4.065 1.00 0.00 H new ATOM 367 N VAL A 25 -7.318 -8.730 -0.680 1.00 0.00 N ATOM 368 CA VAL A 25 -8.640 -9.188 -0.270 1.00 0.00 C ATOM 369 C VAL A 25 -9.497 -8.027 0.220 1.00 0.00 C ATOM 370 O VAL A 25 -10.724 -8.061 0.121 1.00 0.00 O ATOM 371 CB VAL A 25 -8.546 -10.249 0.843 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.945 -9.647 2.104 1.00 0.00 C ATOM 373 CG2 VAL A 25 -9.917 -10.844 1.128 1.00 0.00 C ATOM 0 H VAL A 25 -6.670 -8.570 0.091 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.107 -9.634 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.890 -11.051 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.886 -10.411 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.945 -9.272 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.573 -8.826 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.832 -11.592 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.597 -10.054 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.305 -11.313 0.224 1.00 0.00 H new ATOM 383 N PHE A 26 -8.843 -6.998 0.749 1.00 0.00 N ATOM 384 CA PHE A 26 -9.545 -5.825 1.256 1.00 0.00 C ATOM 385 C PHE A 26 -9.095 -4.563 0.525 1.00 0.00 C ATOM 386 O PHE A 26 -7.959 -4.475 0.056 1.00 0.00 O ATOM 387 CB PHE A 26 -9.304 -5.669 2.759 1.00 0.00 C ATOM 388 CG PHE A 26 -10.262 -4.723 3.425 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.521 -5.151 3.814 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.902 -3.406 3.662 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.405 -4.283 4.427 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.781 -2.534 4.276 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.034 -2.972 4.658 1.00 0.00 C ATOM 0 H PHE A 26 -7.828 -6.953 0.838 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.611 -5.967 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.382 -6.647 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.286 -5.316 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.815 -6.175 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.924 -3.057 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.384 -4.629 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.488 -1.510 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.723 -2.291 5.136 1.00 0.00 H new ATOM 403 N LEU A 27 -9.994 -3.590 0.429 1.00 0.00 N ATOM 404 CA LEU A 27 -9.691 -2.332 -0.246 1.00 0.00 C ATOM 405 C LEU A 27 -10.667 -1.239 0.176 1.00 0.00 C ATOM 406 O LEU A 27 -11.882 -1.413 0.092 1.00 0.00 O ATOM 407 CB LEU A 27 -9.742 -2.520 -1.763 1.00 0.00 C ATOM 408 CG LEU A 27 -8.819 -1.618 -2.582 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.361 -1.933 -2.284 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.105 -1.771 -4.069 1.00 0.00 C ATOM 0 H LEU A 27 -10.939 -3.647 0.810 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.685 -2.026 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.497 -3.558 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.767 -2.355 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.011 -0.583 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.719 -1.281 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.163 -1.772 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.154 -2.973 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.439 -1.121 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.942 -2.807 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.140 -1.494 -4.271 1.00 0.00 H new ATOM 422 N GLU A 28 -10.126 -0.112 0.628 1.00 0.00 N ATOM 423 CA GLU A 28 -10.950 1.010 1.062 1.00 0.00 C ATOM 424 C GLU A 28 -10.121 2.287 1.162 1.00 0.00 C ATOM 425 O GLU A 28 -9.051 2.300 1.770 1.00 0.00 O ATOM 426 CB GLU A 28 -11.599 0.703 2.413 1.00 0.00 C ATOM 427 CG GLU A 28 -12.823 1.554 2.707 1.00 0.00 C ATOM 428 CD GLU A 28 -12.465 2.959 3.150 1.00 0.00 C ATOM 429 OE1 GLU A 28 -11.598 3.099 4.038 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.051 3.919 2.607 1.00 0.00 O ATOM 0 H GLU A 28 -9.121 0.048 0.703 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.732 1.162 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.883 -0.349 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.863 0.854 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.447 1.606 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.417 1.073 3.484 1.00 0.00 H new ATOM 437 N VAL A 29 -10.624 3.361 0.560 1.00 0.00 N ATOM 438 CA VAL A 29 -9.931 4.644 0.581 1.00 0.00 C ATOM 439 C VAL A 29 -10.708 5.674 1.392 1.00 0.00 C ATOM 440 O VAL A 29 -11.934 5.752 1.307 1.00 0.00 O ATOM 441 CB VAL A 29 -9.713 5.187 -0.844 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.977 6.517 -0.801 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.954 4.175 -1.689 1.00 0.00 C ATOM 0 H VAL A 29 -11.509 3.368 0.052 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.962 4.473 1.049 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.687 5.353 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.832 6.885 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.564 7.239 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.007 6.381 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.809 4.575 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.984 3.976 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.525 3.248 -1.747 1.00 0.00 H new ATOM 453 N VAL A 30 -9.986 6.465 2.180 1.00 0.00 N ATOM 454 CA VAL A 30 -10.607 7.493 3.007 1.00 0.00 C ATOM 455 C VAL A 30 -10.114 8.883 2.619 1.00 0.00 C ATOM 456 O VAL A 30 -8.920 9.174 2.700 1.00 0.00 O ATOM 457 CB VAL A 30 -10.323 7.259 4.502 1.00 0.00 C ATOM 458 CG1 VAL A 30 -11.035 8.301 5.351 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.740 5.853 4.909 1.00 0.00 C ATOM 0 H VAL A 30 -8.971 6.413 2.263 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.682 7.430 2.835 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.251 7.359 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.822 8.119 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.684 9.296 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.110 8.236 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.532 5.704 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.807 5.723 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.180 5.124 4.324 1.00 0.00 H new ATOM 469 N ASP A 31 -11.040 9.737 2.198 1.00 0.00 N ATOM 470 CA ASP A 31 -10.699 11.098 1.799 1.00 0.00 C ATOM 471 C ASP A 31 -11.008 12.086 2.919 1.00 0.00 C ATOM 472 O ASP A 31 -12.019 11.960 3.608 1.00 0.00 O ATOM 473 CB ASP A 31 -11.464 11.487 0.533 1.00 0.00 C ATOM 474 CG ASP A 31 -12.811 10.798 0.435 1.00 0.00 C ATOM 475 OD1 ASP A 31 -13.370 10.435 1.492 1.00 0.00 O ATOM 476 OD2 ASP A 31 -13.307 10.623 -0.697 1.00 0.00 O ATOM 0 H ASP A 31 -12.032 9.512 2.124 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.629 11.133 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.610 12.567 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.865 11.234 -0.342 1.00 0.00 H new ATOM 481 N GLU A 32 -10.129 13.068 3.094 1.00 0.00 N ATOM 482 CA GLU A 32 -10.308 14.077 4.132 1.00 0.00 C ATOM 483 C GLU A 32 -10.057 15.477 3.580 1.00 0.00 C ATOM 484 O GLU A 32 -8.912 15.873 3.359 1.00 0.00 O ATOM 485 CB GLU A 32 -9.367 13.803 5.307 1.00 0.00 C ATOM 486 CG GLU A 32 -9.523 12.414 5.902 1.00 0.00 C ATOM 487 CD GLU A 32 -10.551 12.369 7.016 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.761 12.331 6.704 1.00 0.00 O ATOM 489 OE2 GLU A 32 -10.148 12.372 8.197 1.00 0.00 O ATOM 0 H GLU A 32 -9.287 13.186 2.531 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.339 14.024 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.337 13.933 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.546 14.545 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.813 11.717 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.560 12.077 6.287 1.00 0.00 H new ATOM 496 N SER A 33 -11.136 16.221 3.358 1.00 0.00 N ATOM 497 CA SER A 33 -11.034 17.576 2.827 1.00 0.00 C ATOM 498 C SER A 33 -12.147 18.461 3.380 1.00 0.00 C ATOM 499 O SER A 33 -13.327 18.127 3.282 1.00 0.00 O ATOM 500 CB SER A 33 -11.096 17.553 1.299 1.00 0.00 C ATOM 501 OG SER A 33 -9.885 17.067 0.746 1.00 0.00 O ATOM 0 H SER A 33 -12.090 15.909 3.537 1.00 0.00 H new ATOM 0 HA SER A 33 -10.075 17.991 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.925 16.924 0.975 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.293 18.558 0.925 1.00 0.00 H new ATOM 0 HG SER A 33 -9.303 16.744 1.465 1.00 0.00 H new ATOM 507 N TYR A 34 -11.761 19.591 3.961 1.00 0.00 N ATOM 508 CA TYR A 34 -12.725 20.525 4.532 1.00 0.00 C ATOM 509 C TYR A 34 -13.169 21.551 3.495 1.00 0.00 C ATOM 510 O TYR A 34 -12.361 22.333 2.993 1.00 0.00 O ATOM 511 CB TYR A 34 -12.121 21.236 5.744 1.00 0.00 C ATOM 512 CG TYR A 34 -11.713 20.296 6.856 1.00 0.00 C ATOM 513 CD1 TYR A 34 -10.452 19.714 6.873 1.00 0.00 C ATOM 514 CD2 TYR A 34 -12.589 19.992 7.892 1.00 0.00 C ATOM 515 CE1 TYR A 34 -10.075 18.854 7.887 1.00 0.00 C ATOM 516 CE2 TYR A 34 -12.220 19.135 8.910 1.00 0.00 C ATOM 517 CZ TYR A 34 -10.962 18.568 8.903 1.00 0.00 C ATOM 518 OH TYR A 34 -10.591 17.714 9.915 1.00 0.00 O ATOM 0 H TYR A 34 -10.788 19.883 4.049 1.00 0.00 H new ATOM 0 HA TYR A 34 -13.599 19.957 4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -11.249 21.806 5.423 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -12.845 21.952 6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.754 19.937 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -13.575 20.434 7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.091 18.409 7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.912 18.910 9.708 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.330 17.620 10.551 1.00 0.00 H new ATOM 528 N ARG A 35 -14.460 21.544 3.180 1.00 0.00 N ATOM 529 CA ARG A 35 -15.013 22.473 2.202 1.00 0.00 C ATOM 530 C ARG A 35 -14.937 23.909 2.713 1.00 0.00 C ATOM 531 O ARG A 35 -14.594 24.827 1.967 1.00 0.00 O ATOM 532 CB ARG A 35 -16.465 22.110 1.887 1.00 0.00 C ATOM 533 CG ARG A 35 -17.376 22.128 3.103 1.00 0.00 C ATOM 534 CD ARG A 35 -18.798 21.730 2.741 1.00 0.00 C ATOM 535 NE ARG A 35 -19.617 21.486 3.925 1.00 0.00 N ATOM 536 CZ ARG A 35 -20.909 21.178 3.875 1.00 0.00 C ATOM 537 NH1 ARG A 35 -21.524 21.076 2.705 1.00 0.00 N ATOM 538 NH2 ARG A 35 -21.586 20.971 4.997 1.00 0.00 N ATOM 0 H ARG A 35 -15.143 20.905 3.588 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.420 22.397 1.291 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -16.852 22.807 1.144 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -16.493 21.117 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -16.988 21.446 3.860 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -17.377 23.125 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -19.253 22.518 2.142 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -18.777 20.832 2.124 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.173 21.556 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.006 21.234 1.841 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -22.516 20.840 2.669 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -21.115 21.048 5.898 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -22.577 20.735 4.958 1.00 0.00 H new ATOM 552 N HIS A 36 -15.258 24.095 3.990 1.00 0.00 N ATOM 553 CA HIS A 36 -15.225 25.419 4.601 1.00 0.00 C ATOM 554 C HIS A 36 -13.983 26.189 4.163 1.00 0.00 C ATOM 555 O HIS A 36 -12.931 25.600 3.916 1.00 0.00 O ATOM 556 CB HIS A 36 -15.256 25.302 6.125 1.00 0.00 C ATOM 557 CG HIS A 36 -16.637 25.158 6.686 1.00 0.00 C ATOM 558 ND1 HIS A 36 -17.341 26.211 7.232 1.00 0.00 N ATOM 559 CD2 HIS A 36 -17.445 24.077 6.783 1.00 0.00 C ATOM 560 CE1 HIS A 36 -18.522 25.783 7.642 1.00 0.00 C ATOM 561 NE2 HIS A 36 -18.610 24.491 7.381 1.00 0.00 N ATOM 0 H HIS A 36 -15.544 23.346 4.621 1.00 0.00 H new ATOM 0 HA HIS A 36 -16.107 25.967 4.269 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.658 24.442 6.428 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.787 26.185 6.559 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -17.216 23.075 6.452 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -19.285 26.387 8.111 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -19.413 23.897 7.590 1.00 0.00 H new ATOM 570 N ASN A 37 -14.112 27.509 4.069 1.00 0.00 N ATOM 571 CA ASN A 37 -13.000 28.359 3.660 1.00 0.00 C ATOM 572 C ASN A 37 -12.113 28.705 4.852 1.00 0.00 C ATOM 573 O ASN A 37 -11.722 29.858 5.034 1.00 0.00 O ATOM 574 CB ASN A 37 -13.523 29.641 3.010 1.00 0.00 C ATOM 575 CG ASN A 37 -13.760 29.479 1.520 1.00 0.00 C ATOM 576 OD1 ASN A 37 -13.029 28.760 0.839 1.00 0.00 O ATOM 577 ND2 ASN A 37 -14.785 30.150 1.008 1.00 0.00 N ATOM 0 H ASN A 37 -14.976 28.013 4.271 1.00 0.00 H new ATOM 0 HA ASN A 37 -12.403 27.809 2.933 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -14.454 29.936 3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -12.808 30.447 3.176 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -14.993 30.081 0.012 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -15.364 30.734 1.611 1.00 0.00 H new ATOM 584 N VAL A 38 -11.799 27.699 5.661 1.00 0.00 N ATOM 585 CA VAL A 38 -10.957 27.896 6.835 1.00 0.00 C ATOM 586 C VAL A 38 -10.299 26.590 7.265 1.00 0.00 C ATOM 587 O VAL A 38 -10.850 25.502 7.095 1.00 0.00 O ATOM 588 CB VAL A 38 -11.765 28.464 8.017 1.00 0.00 C ATOM 589 CG1 VAL A 38 -12.387 29.801 7.645 1.00 0.00 C ATOM 590 CG2 VAL A 38 -12.833 27.473 8.456 1.00 0.00 C ATOM 0 H VAL A 38 -12.115 26.739 5.525 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.186 28.613 6.554 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.086 28.627 8.854 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.954 30.187 8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.600 30.508 7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.054 29.668 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.395 27.890 9.292 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.511 27.277 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.360 26.541 8.766 1.00 0.00 H new ATOM 600 N PRO A 39 -9.090 26.696 7.836 1.00 0.00 N ATOM 601 CA PRO A 39 -8.330 25.533 8.303 1.00 0.00 C ATOM 602 C PRO A 39 -8.960 24.883 9.530 1.00 0.00 C ATOM 603 O PRO A 39 -9.446 25.571 10.428 1.00 0.00 O ATOM 604 CB PRO A 39 -6.961 26.122 8.654 1.00 0.00 C ATOM 605 CG PRO A 39 -7.232 27.554 8.962 1.00 0.00 C ATOM 606 CD PRO A 39 -8.372 27.961 8.070 1.00 0.00 C ATOM 0 HA PRO A 39 -8.291 24.744 7.552 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.517 25.611 9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -6.262 26.021 7.824 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.493 27.685 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.351 28.167 8.773 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -9.011 28.703 8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.016 28.400 7.138 1.00 0.00 H new ATOM 614 N ALA A 40 -8.948 23.555 9.563 1.00 0.00 N ATOM 615 CA ALA A 40 -9.517 22.813 10.681 1.00 0.00 C ATOM 616 C ALA A 40 -8.434 22.063 11.450 1.00 0.00 C ATOM 617 O ALA A 40 -8.652 21.621 12.577 1.00 0.00 O ATOM 618 CB ALA A 40 -10.581 21.845 10.186 1.00 0.00 C ATOM 0 H ALA A 40 -8.550 22.970 8.828 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.980 23.528 11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.997 21.298 11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.375 22.401 9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.134 21.142 9.483 1.00 0.00 H new ATOM 624 N GLY A 41 -7.265 21.924 10.832 1.00 0.00 N ATOM 625 CA GLY A 41 -6.165 21.226 11.473 1.00 0.00 C ATOM 626 C GLY A 41 -5.392 20.351 10.507 1.00 0.00 C ATOM 627 O GLY A 41 -4.236 20.633 10.192 1.00 0.00 O ATOM 0 H GLY A 41 -7.060 22.282 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.488 21.954 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.553 20.611 12.285 1.00 0.00 H new ATOM 631 N SER A 42 -6.030 19.284 10.038 1.00 0.00 N ATOM 632 CA SER A 42 -5.393 18.360 9.106 1.00 0.00 C ATOM 633 C SER A 42 -6.033 18.454 7.724 1.00 0.00 C ATOM 634 O SER A 42 -6.874 17.633 7.361 1.00 0.00 O ATOM 635 CB SER A 42 -5.491 16.926 9.629 1.00 0.00 C ATOM 636 OG SER A 42 -6.841 16.502 9.706 1.00 0.00 O ATOM 0 H SER A 42 -6.988 19.037 10.288 1.00 0.00 H new ATOM 0 HA SER A 42 -4.342 18.637 9.020 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.934 16.257 8.973 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.030 16.863 10.615 1.00 0.00 H new ATOM 0 HG SER A 42 -7.318 16.780 8.896 1.00 0.00 H new ATOM 642 N GLU A 43 -5.628 19.463 6.959 1.00 0.00 N ATOM 643 CA GLU A 43 -6.162 19.666 5.617 1.00 0.00 C ATOM 644 C GLU A 43 -5.831 18.480 4.715 1.00 0.00 C ATOM 645 O GLU A 43 -6.689 17.983 3.986 1.00 0.00 O ATOM 646 CB GLU A 43 -5.603 20.954 5.011 1.00 0.00 C ATOM 647 CG GLU A 43 -6.314 22.210 5.487 1.00 0.00 C ATOM 648 CD GLU A 43 -6.071 23.398 4.576 1.00 0.00 C ATOM 649 OE1 GLU A 43 -6.445 23.320 3.387 1.00 0.00 O ATOM 650 OE2 GLU A 43 -5.507 24.405 5.052 1.00 0.00 O ATOM 0 H GLU A 43 -4.933 20.152 7.245 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.246 19.751 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -4.544 21.031 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.675 20.896 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.385 22.016 5.547 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.977 22.454 6.494 1.00 0.00 H new ATOM 657 N SER A 44 -4.581 18.033 4.770 1.00 0.00 N ATOM 658 CA SER A 44 -4.134 16.909 3.955 1.00 0.00 C ATOM 659 C SER A 44 -4.059 15.632 4.786 1.00 0.00 C ATOM 660 O SER A 44 -3.008 15.293 5.331 1.00 0.00 O ATOM 661 CB SER A 44 -2.767 17.211 3.338 1.00 0.00 C ATOM 662 OG SER A 44 -2.785 18.440 2.634 1.00 0.00 O ATOM 0 H SER A 44 -3.859 18.432 5.370 1.00 0.00 H new ATOM 0 HA SER A 44 -4.860 16.760 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.011 17.249 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.484 16.405 2.661 1.00 0.00 H new ATOM 0 HG SER A 44 -1.899 18.611 2.251 1.00 0.00 H new ATOM 668 N HIS A 45 -5.182 14.927 4.878 1.00 0.00 N ATOM 669 CA HIS A 45 -5.245 13.686 5.642 1.00 0.00 C ATOM 670 C HIS A 45 -5.759 12.540 4.775 1.00 0.00 C ATOM 671 O HIS A 45 -6.934 12.177 4.841 1.00 0.00 O ATOM 672 CB HIS A 45 -6.147 13.860 6.865 1.00 0.00 C ATOM 673 CG HIS A 45 -5.829 12.915 7.982 1.00 0.00 C ATOM 674 ND1 HIS A 45 -6.481 11.713 8.160 1.00 0.00 N ATOM 675 CD2 HIS A 45 -4.920 13.000 8.982 1.00 0.00 C ATOM 676 CE1 HIS A 45 -5.989 11.100 9.222 1.00 0.00 C ATOM 677 NE2 HIS A 45 -5.040 11.860 9.739 1.00 0.00 N ATOM 0 H HIS A 45 -6.060 15.194 4.433 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.236 13.442 5.976 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.058 14.883 7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.185 13.718 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.229 13.813 9.153 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.308 10.141 9.603 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.486 11.637 10.566 1.00 0.00 H new ATOM 686 N PHE A 46 -4.872 11.974 3.963 1.00 0.00 N ATOM 687 CA PHE A 46 -5.236 10.871 3.082 1.00 0.00 C ATOM 688 C PHE A 46 -4.744 9.541 3.645 1.00 0.00 C ATOM 689 O PHE A 46 -3.635 9.448 4.172 1.00 0.00 O ATOM 690 CB PHE A 46 -4.654 11.093 1.685 1.00 0.00 C ATOM 691 CG PHE A 46 -5.480 10.484 0.588 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.690 11.050 0.218 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.047 9.346 -0.073 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.452 10.491 -0.791 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.805 8.783 -1.083 1.00 0.00 C ATOM 696 CZ PHE A 46 -7.008 9.357 -1.443 1.00 0.00 C ATOM 0 H PHE A 46 -3.896 12.261 3.897 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.323 10.837 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.559 12.164 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.649 10.673 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.041 11.937 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.106 8.893 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.394 10.941 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.456 7.895 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.601 8.920 -2.233 1.00 0.00 H new ATOM 706 N LYS A 47 -5.577 8.512 3.530 1.00 0.00 N ATOM 707 CA LYS A 47 -5.229 7.186 4.025 1.00 0.00 C ATOM 708 C LYS A 47 -5.914 6.100 3.200 1.00 0.00 C ATOM 709 O LYS A 47 -7.069 6.246 2.800 1.00 0.00 O ATOM 710 CB LYS A 47 -5.626 7.048 5.497 1.00 0.00 C ATOM 711 CG LYS A 47 -5.582 5.619 6.008 1.00 0.00 C ATOM 712 CD LYS A 47 -6.937 4.941 5.886 1.00 0.00 C ATOM 713 CE LYS A 47 -7.740 5.068 7.171 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.611 6.276 7.164 1.00 0.00 N ATOM 0 H LYS A 47 -6.499 8.572 3.098 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.150 7.063 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.960 7.662 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.633 7.442 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.839 5.053 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.264 5.614 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.495 5.385 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.798 3.887 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.355 4.178 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.060 5.116 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.255 6.965 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.604 6.704 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.583 6.004 7.414 1.00 0.00 H new ATOM 728 N VAL A 48 -5.194 5.011 2.950 1.00 0.00 N ATOM 729 CA VAL A 48 -5.732 3.899 2.176 1.00 0.00 C ATOM 730 C VAL A 48 -5.547 2.577 2.910 1.00 0.00 C ATOM 731 O VAL A 48 -4.458 2.270 3.395 1.00 0.00 O ATOM 732 CB VAL A 48 -5.063 3.804 0.792 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.440 2.500 0.105 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.445 4.999 -0.068 1.00 0.00 C ATOM 0 H VAL A 48 -4.236 4.875 3.273 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.797 4.091 2.045 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.982 3.815 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.958 2.451 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.111 1.659 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.522 2.455 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.963 4.915 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.527 5.022 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.119 5.918 0.420 1.00 0.00 H new ATOM 744 N VAL A 49 -6.619 1.794 2.989 1.00 0.00 N ATOM 745 CA VAL A 49 -6.575 0.502 3.663 1.00 0.00 C ATOM 746 C VAL A 49 -6.490 -0.640 2.657 1.00 0.00 C ATOM 747 O VAL A 49 -7.338 -0.768 1.773 1.00 0.00 O ATOM 748 CB VAL A 49 -7.812 0.293 4.557 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.707 -1.021 5.315 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.977 1.461 5.518 1.00 0.00 C ATOM 0 H VAL A 49 -7.529 2.033 2.594 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.681 0.500 4.286 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.696 0.248 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.590 -1.151 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.640 -1.846 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.816 -1.009 5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.855 1.297 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.092 1.540 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.101 2.384 4.951 1.00 0.00 H new ATOM 760 N LEU A 50 -5.462 -1.469 2.798 1.00 0.00 N ATOM 761 CA LEU A 50 -5.265 -2.603 1.901 1.00 0.00 C ATOM 762 C LEU A 50 -4.727 -3.811 2.661 1.00 0.00 C ATOM 763 O LEU A 50 -3.621 -3.777 3.200 1.00 0.00 O ATOM 764 CB LEU A 50 -4.303 -2.226 0.773 1.00 0.00 C ATOM 765 CG LEU A 50 -4.124 -3.267 -0.333 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.800 -2.590 -1.655 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.035 -4.261 0.042 1.00 0.00 C ATOM 0 H LEU A 50 -4.752 -1.378 3.525 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.232 -2.867 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.653 -1.299 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.326 -2.018 1.210 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.061 -3.812 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.676 -3.346 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.614 -1.919 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.877 -2.019 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.921 -4.994 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.093 -3.732 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.310 -4.770 0.966 1.00 0.00 H new ATOM 779 N VAL A 51 -5.517 -4.880 2.699 1.00 0.00 N ATOM 780 CA VAL A 51 -5.119 -6.101 3.390 1.00 0.00 C ATOM 781 C VAL A 51 -4.678 -7.173 2.401 1.00 0.00 C ATOM 782 O VAL A 51 -5.456 -7.604 1.549 1.00 0.00 O ATOM 783 CB VAL A 51 -6.267 -6.655 4.255 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.854 -7.963 4.914 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.689 -5.633 5.299 1.00 0.00 C ATOM 0 H VAL A 51 -6.436 -4.925 2.259 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.280 -5.841 4.036 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.122 -6.854 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.677 -8.340 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.605 -8.695 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.984 -7.792 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.501 -6.042 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.841 -5.400 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.028 -4.724 4.802 1.00 0.00 H new ATOM 795 N SER A 52 -3.425 -7.601 2.519 1.00 0.00 N ATOM 796 CA SER A 52 -2.879 -8.622 1.633 1.00 0.00 C ATOM 797 C SER A 52 -2.059 -9.641 2.418 1.00 0.00 C ATOM 798 O SER A 52 -1.410 -9.302 3.408 1.00 0.00 O ATOM 799 CB SER A 52 -2.011 -7.977 0.551 1.00 0.00 C ATOM 800 OG SER A 52 -1.444 -8.958 -0.300 1.00 0.00 O ATOM 0 H SER A 52 -2.769 -7.256 3.220 1.00 0.00 H new ATOM 0 HA SER A 52 -3.713 -9.140 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.613 -7.285 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.217 -7.393 1.017 1.00 0.00 H new ATOM 0 HG SER A 52 -0.895 -8.520 -0.984 1.00 0.00 H new ATOM 806 N ASP A 53 -2.093 -10.891 1.969 1.00 0.00 N ATOM 807 CA ASP A 53 -1.352 -11.960 2.628 1.00 0.00 C ATOM 808 C ASP A 53 -0.007 -12.190 1.945 1.00 0.00 C ATOM 809 O ASP A 53 0.893 -12.806 2.517 1.00 0.00 O ATOM 810 CB ASP A 53 -2.169 -13.253 2.622 1.00 0.00 C ATOM 811 CG ASP A 53 -1.751 -14.207 3.725 1.00 0.00 C ATOM 812 OD1 ASP A 53 -2.018 -13.902 4.906 1.00 0.00 O ATOM 813 OD2 ASP A 53 -1.157 -15.258 3.406 1.00 0.00 O ATOM 0 H ASP A 53 -2.626 -11.189 1.152 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.168 -11.660 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.226 -13.012 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.056 -13.746 1.657 1.00 0.00 H new ATOM 818 N ARG A 54 0.121 -11.693 0.719 1.00 0.00 N ATOM 819 CA ARG A 54 1.355 -11.847 -0.042 1.00 0.00 C ATOM 820 C ARG A 54 2.501 -11.087 0.621 1.00 0.00 C ATOM 821 O ARG A 54 3.668 -11.283 0.281 1.00 0.00 O ATOM 822 CB ARG A 54 1.160 -11.348 -1.475 1.00 0.00 C ATOM 823 CG ARG A 54 0.198 -12.198 -2.290 1.00 0.00 C ATOM 824 CD ARG A 54 0.823 -13.528 -2.681 1.00 0.00 C ATOM 825 NE ARG A 54 1.616 -13.422 -3.903 1.00 0.00 N ATOM 826 CZ ARG A 54 2.913 -13.134 -3.915 1.00 0.00 C ATOM 827 NH1 ARG A 54 3.560 -12.926 -2.776 1.00 0.00 N ATOM 828 NH2 ARG A 54 3.566 -13.056 -5.067 1.00 0.00 N ATOM 0 H ARG A 54 -0.614 -11.181 0.232 1.00 0.00 H new ATOM 0 HA ARG A 54 1.609 -12.907 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.791 -10.323 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.127 -11.325 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.709 -12.377 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.097 -11.655 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.456 -13.884 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.037 -14.270 -2.822 1.00 0.00 H new ATOM 0 HE ARG A 54 1.148 -13.578 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.062 -12.987 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.556 -12.705 -2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.072 -13.217 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.562 -12.835 -5.075 1.00 0.00 H new ATOM 842 N PHE A 55 2.159 -10.219 1.567 1.00 0.00 N ATOM 843 CA PHE A 55 3.159 -9.429 2.277 1.00 0.00 C ATOM 844 C PHE A 55 3.973 -10.306 3.223 1.00 0.00 C ATOM 845 O PHE A 55 5.122 -9.997 3.541 1.00 0.00 O ATOM 846 CB PHE A 55 2.485 -8.301 3.061 1.00 0.00 C ATOM 847 CG PHE A 55 2.110 -7.121 2.210 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.079 -6.411 1.520 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.788 -6.722 2.102 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.737 -5.325 0.737 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.440 -5.637 1.319 1.00 0.00 C ATOM 852 CZ PHE A 55 1.416 -4.937 0.637 1.00 0.00 C ATOM 0 H PHE A 55 1.198 -10.045 1.860 1.00 0.00 H new ATOM 0 HA PHE A 55 3.835 -8.996 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.589 -8.690 3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.156 -7.969 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.114 -6.710 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.021 -7.264 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.502 -4.780 0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.595 -5.337 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.146 -4.088 0.027 1.00 0.00 H new ATOM 862 N THR A 56 3.370 -11.402 3.672 1.00 0.00 N ATOM 863 CA THR A 56 4.036 -12.323 4.584 1.00 0.00 C ATOM 864 C THR A 56 5.455 -12.629 4.116 1.00 0.00 C ATOM 865 O THR A 56 5.707 -12.771 2.920 1.00 0.00 O ATOM 866 CB THR A 56 3.256 -13.644 4.718 1.00 0.00 C ATOM 867 OG1 THR A 56 3.800 -14.429 5.785 1.00 0.00 O ATOM 868 CG2 THR A 56 3.308 -14.438 3.421 1.00 0.00 C ATOM 0 H THR A 56 2.420 -11.674 3.418 1.00 0.00 H new ATOM 0 HA THR A 56 4.074 -11.833 5.557 1.00 0.00 H new ATOM 0 HB THR A 56 2.216 -13.404 4.938 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.297 -15.266 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.750 -15.367 3.540 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.866 -13.850 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.345 -14.667 3.176 1.00 0.00 H new ATOM 876 N GLY A 57 6.378 -12.730 5.067 1.00 0.00 N ATOM 877 CA GLY A 57 7.760 -13.019 4.732 1.00 0.00 C ATOM 878 C GLY A 57 8.478 -11.820 4.146 1.00 0.00 C ATOM 879 O GLY A 57 9.510 -11.393 4.663 1.00 0.00 O ATOM 0 H GLY A 57 6.193 -12.617 6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.286 -13.351 5.627 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.793 -13.843 4.019 1.00 0.00 H new ATOM 883 N GLU A 58 7.931 -11.275 3.064 1.00 0.00 N ATOM 884 CA GLU A 58 8.529 -10.119 2.406 1.00 0.00 C ATOM 885 C GLU A 58 9.040 -9.113 3.433 1.00 0.00 C ATOM 886 O GLU A 58 8.548 -9.057 4.560 1.00 0.00 O ATOM 887 CB GLU A 58 7.511 -9.448 1.481 1.00 0.00 C ATOM 888 CG GLU A 58 7.525 -9.993 0.063 1.00 0.00 C ATOM 889 CD GLU A 58 7.102 -8.961 -0.964 1.00 0.00 C ATOM 890 OE1 GLU A 58 6.498 -7.942 -0.565 1.00 0.00 O ATOM 891 OE2 GLU A 58 7.375 -9.170 -2.164 1.00 0.00 O ATOM 0 H GLU A 58 7.076 -11.615 2.625 1.00 0.00 H new ATOM 0 HA GLU A 58 9.374 -10.467 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.513 -9.575 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.710 -8.377 1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.528 -10.348 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.859 -10.854 0.002 1.00 0.00 H new ATOM 898 N ARG A 59 10.030 -8.321 3.035 1.00 0.00 N ATOM 899 CA ARG A 59 10.609 -7.318 3.920 1.00 0.00 C ATOM 900 C ARG A 59 9.621 -6.184 4.178 1.00 0.00 C ATOM 901 O ARG A 59 8.603 -6.067 3.496 1.00 0.00 O ATOM 902 CB ARG A 59 11.898 -6.758 3.317 1.00 0.00 C ATOM 903 CG ARG A 59 13.034 -7.766 3.264 1.00 0.00 C ATOM 904 CD ARG A 59 14.365 -7.091 2.969 1.00 0.00 C ATOM 905 NE ARG A 59 15.499 -7.953 3.290 1.00 0.00 N ATOM 906 CZ ARG A 59 16.717 -7.784 2.787 1.00 0.00 C ATOM 907 NH1 ARG A 59 16.957 -6.790 1.944 1.00 0.00 N ATOM 908 NH2 ARG A 59 17.697 -8.610 3.128 1.00 0.00 N ATOM 0 H ARG A 59 10.448 -8.355 2.105 1.00 0.00 H new ATOM 0 HA ARG A 59 10.839 -7.799 4.871 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.692 -6.402 2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.217 -5.894 3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.096 -8.296 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.825 -8.511 2.497 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.406 -6.816 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.438 -6.167 3.543 1.00 0.00 H new ATOM 0 HE ARG A 59 15.348 -8.728 3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.206 -6.153 1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.893 -6.662 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.516 -9.376 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.632 -8.479 2.741 1.00 0.00 H new ATOM 922 N PHE A 60 9.928 -5.352 5.167 1.00 0.00 N ATOM 923 CA PHE A 60 9.067 -4.228 5.517 1.00 0.00 C ATOM 924 C PHE A 60 9.208 -3.099 4.501 1.00 0.00 C ATOM 925 O PHE A 60 8.214 -2.536 4.038 1.00 0.00 O ATOM 926 CB PHE A 60 9.406 -3.715 6.918 1.00 0.00 C ATOM 927 CG PHE A 60 9.371 -4.784 7.972 1.00 0.00 C ATOM 928 CD1 PHE A 60 10.464 -5.612 8.174 1.00 0.00 C ATOM 929 CD2 PHE A 60 8.246 -4.960 8.762 1.00 0.00 C ATOM 930 CE1 PHE A 60 10.435 -6.596 9.144 1.00 0.00 C ATOM 931 CE2 PHE A 60 8.212 -5.943 9.734 1.00 0.00 C ATOM 932 CZ PHE A 60 9.308 -6.762 9.924 1.00 0.00 C ATOM 0 H PHE A 60 10.767 -5.435 5.741 1.00 0.00 H new ATOM 0 HA PHE A 60 8.034 -4.576 5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 60 10.399 -3.265 6.901 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.703 -2.927 7.188 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.348 -5.487 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.386 -4.322 8.617 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.293 -7.235 9.292 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.330 -6.070 10.344 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.283 -7.531 10.682 1.00 0.00 H new ATOM 942 N LEU A 61 10.449 -2.771 4.158 1.00 0.00 N ATOM 943 CA LEU A 61 10.721 -1.708 3.197 1.00 0.00 C ATOM 944 C LEU A 61 9.895 -1.895 1.929 1.00 0.00 C ATOM 945 O LEU A 61 8.967 -1.131 1.663 1.00 0.00 O ATOM 946 CB LEU A 61 12.211 -1.678 2.849 1.00 0.00 C ATOM 947 CG LEU A 61 13.142 -1.133 3.931 1.00 0.00 C ATOM 948 CD1 LEU A 61 14.589 -1.480 3.616 1.00 0.00 C ATOM 949 CD2 LEU A 61 12.973 0.373 4.072 1.00 0.00 C ATOM 0 H LEU A 61 11.282 -3.226 4.531 1.00 0.00 H new ATOM 0 HA LEU A 61 10.441 -0.759 3.654 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.527 -2.692 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.341 -1.077 1.949 1.00 0.00 H new ATOM 0 HG LEU A 61 12.876 -1.600 4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.237 -1.083 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.701 -2.563 3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.868 -1.042 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.644 0.743 4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.211 0.856 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.942 0.599 4.346 1.00 0.00 H new ATOM 961 N ASN A 62 10.237 -2.916 1.151 1.00 0.00 N ATOM 962 CA ASN A 62 9.525 -3.205 -0.089 1.00 0.00 C ATOM 963 C ASN A 62 8.016 -3.098 0.113 1.00 0.00 C ATOM 964 O ASN A 62 7.292 -2.642 -0.773 1.00 0.00 O ATOM 965 CB ASN A 62 9.885 -4.603 -0.595 1.00 0.00 C ATOM 966 CG ASN A 62 9.086 -5.691 0.096 1.00 0.00 C ATOM 967 OD1 ASN A 62 7.855 -5.673 0.088 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.785 -6.647 0.698 1.00 0.00 N ATOM 0 H ASN A 62 11.003 -3.558 1.357 1.00 0.00 H new ATOM 0 HA ASN A 62 9.828 -2.468 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.710 -4.654 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.949 -4.781 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.302 -7.406 1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.805 -6.622 0.679 1.00 0.00 H new ATOM 975 N ARG A 63 7.550 -3.521 1.283 1.00 0.00 N ATOM 976 CA ARG A 63 6.128 -3.473 1.601 1.00 0.00 C ATOM 977 C ARG A 63 5.491 -2.197 1.057 1.00 0.00 C ATOM 978 O ARG A 63 4.671 -2.242 0.140 1.00 0.00 O ATOM 979 CB ARG A 63 5.918 -3.555 3.114 1.00 0.00 C ATOM 980 CG ARG A 63 4.567 -4.125 3.512 1.00 0.00 C ATOM 981 CD ARG A 63 4.553 -4.558 4.970 1.00 0.00 C ATOM 982 NE ARG A 63 5.162 -5.872 5.157 1.00 0.00 N ATOM 983 CZ ARG A 63 5.297 -6.457 6.342 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.868 -5.848 7.439 1.00 0.00 N ATOM 985 NH2 ARG A 63 5.862 -7.655 6.431 1.00 0.00 N ATOM 0 H ARG A 63 8.136 -3.901 2.026 1.00 0.00 H new ATOM 0 HA ARG A 63 5.647 -4.329 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.705 -4.171 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.022 -2.558 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.792 -3.377 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.329 -4.977 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.087 -3.822 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.525 -4.580 5.332 1.00 0.00 H new ATOM 0 HE ARG A 63 5.502 -6.368 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.433 -4.928 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.973 -6.300 8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.193 -8.127 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.965 -8.104 7.341 1.00 0.00 H new ATOM 999 N HIS A 64 5.875 -1.060 1.629 1.00 0.00 N ATOM 1000 CA HIS A 64 5.342 0.228 1.202 1.00 0.00 C ATOM 1001 C HIS A 64 5.836 0.584 -0.197 1.00 0.00 C ATOM 1002 O HIS A 64 5.041 0.873 -1.092 1.00 0.00 O ATOM 1003 CB HIS A 64 5.743 1.323 2.191 1.00 0.00 C ATOM 1004 CG HIS A 64 7.223 1.536 2.281 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.887 2.515 1.574 1.00 0.00 N ATOM 1006 CD2 HIS A 64 8.167 0.888 3.003 1.00 0.00 C ATOM 1007 CE1 HIS A 64 9.177 2.460 1.856 1.00 0.00 C ATOM 1008 NE2 HIS A 64 9.373 1.482 2.721 1.00 0.00 N ATOM 0 H HIS A 64 6.553 -1.005 2.389 1.00 0.00 H new ATOM 0 HA HIS A 64 4.255 0.153 1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.267 2.258 1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.360 1.067 3.179 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.451 3.178 0.933 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.003 0.059 3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.941 3.105 1.448 1.00 0.00 H new ATOM 1017 N ARG A 65 7.153 0.561 -0.378 1.00 0.00 N ATOM 1018 CA ARG A 65 7.753 0.883 -1.667 1.00 0.00 C ATOM 1019 C ARG A 65 6.865 0.408 -2.813 1.00 0.00 C ATOM 1020 O ARG A 65 6.405 1.208 -3.628 1.00 0.00 O ATOM 1021 CB ARG A 65 9.138 0.244 -1.782 1.00 0.00 C ATOM 1022 CG ARG A 65 10.145 0.791 -0.784 1.00 0.00 C ATOM 1023 CD ARG A 65 11.574 0.519 -1.228 1.00 0.00 C ATOM 1024 NE ARG A 65 12.055 1.525 -2.172 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.567 2.693 -1.802 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.665 3.001 -0.516 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.984 3.557 -2.719 1.00 0.00 N ATOM 0 H ARG A 65 7.824 0.323 0.352 1.00 0.00 H new ATOM 0 HA ARG A 65 7.854 1.966 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.045 -0.833 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.518 0.400 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.997 1.865 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.974 0.338 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.227 0.499 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.629 -0.467 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 65 11.994 1.319 -3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.347 2.340 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.059 3.899 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.911 3.324 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.377 4.454 -2.433 1.00 0.00 H new ATOM 1041 N MET A 66 6.629 -0.899 -2.870 1.00 0.00 N ATOM 1042 CA MET A 66 5.795 -1.480 -3.916 1.00 0.00 C ATOM 1043 C MET A 66 4.582 -0.598 -4.197 1.00 0.00 C ATOM 1044 O MET A 66 4.280 -0.292 -5.351 1.00 0.00 O ATOM 1045 CB MET A 66 5.339 -2.883 -3.514 1.00 0.00 C ATOM 1046 CG MET A 66 6.431 -3.934 -3.628 1.00 0.00 C ATOM 1047 SD MET A 66 5.781 -5.573 -4.005 1.00 0.00 S ATOM 1048 CE MET A 66 4.933 -5.961 -2.475 1.00 0.00 C ATOM 0 H MET A 66 7.003 -1.575 -2.205 1.00 0.00 H new ATOM 0 HA MET A 66 6.391 -1.547 -4.826 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.977 -2.858 -2.486 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.497 -3.176 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.134 -3.638 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.989 -3.975 -2.693 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.631 -7.008 -2.482 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.602 -5.782 -1.633 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.050 -5.329 -2.378 1.00 0.00 H new ATOM 1058 N ILE A 67 3.892 -0.195 -3.137 1.00 0.00 N ATOM 1059 CA ILE A 67 2.712 0.652 -3.270 1.00 0.00 C ATOM 1060 C ILE A 67 3.056 1.968 -3.960 1.00 0.00 C ATOM 1061 O ILE A 67 2.431 2.342 -4.953 1.00 0.00 O ATOM 1062 CB ILE A 67 2.078 0.954 -1.900 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.730 -0.349 -1.177 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.838 1.819 -2.070 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.609 -1.124 -1.833 1.00 0.00 C ATOM 0 H ILE A 67 4.129 -0.441 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 67 1.995 0.101 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 67 2.800 1.502 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.619 -0.979 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.450 -0.121 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.401 2.024 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.113 2.759 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.111 1.295 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.417 -2.035 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.293 -0.512 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.894 -1.384 -2.852 1.00 0.00 H new ATOM 1077 N TYR A 68 4.054 2.665 -3.429 1.00 0.00 N ATOM 1078 CA TYR A 68 4.480 3.940 -3.993 1.00 0.00 C ATOM 1079 C TYR A 68 4.928 3.772 -5.442 1.00 0.00 C ATOM 1080 O TYR A 68 4.815 4.695 -6.249 1.00 0.00 O ATOM 1081 CB TYR A 68 5.619 4.533 -3.161 1.00 0.00 C ATOM 1082 CG TYR A 68 5.153 5.206 -1.890 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.079 6.087 -1.900 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.788 4.961 -0.678 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.650 6.704 -0.741 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.365 5.573 0.486 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.296 6.443 0.450 1.00 0.00 C ATOM 1088 OH TYR A 68 3.873 7.056 1.607 1.00 0.00 O ATOM 0 H TYR A 68 4.583 2.369 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 68 3.629 4.621 -3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.322 3.740 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.162 5.258 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.571 6.293 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.626 4.281 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.814 7.387 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.869 5.371 1.420 1.00 0.00 H new ATOM 0 HH TYR A 68 4.433 6.763 2.356 1.00 0.00 H new ATOM 1098 N SER A 69 5.435 2.587 -5.764 1.00 0.00 N ATOM 1099 CA SER A 69 5.903 2.297 -7.115 1.00 0.00 C ATOM 1100 C SER A 69 4.747 2.336 -8.110 1.00 0.00 C ATOM 1101 O SER A 69 4.843 2.960 -9.167 1.00 0.00 O ATOM 1102 CB SER A 69 6.583 0.928 -7.159 1.00 0.00 C ATOM 1103 OG SER A 69 7.971 1.039 -6.893 1.00 0.00 O ATOM 0 H SER A 69 5.533 1.812 -5.108 1.00 0.00 H new ATOM 0 HA SER A 69 6.626 3.063 -7.395 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.121 0.265 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.432 0.475 -8.139 1.00 0.00 H new ATOM 0 HG SER A 69 8.382 0.150 -6.925 1.00 0.00 H new ATOM 1109 N THR A 70 3.654 1.664 -7.763 1.00 0.00 N ATOM 1110 CA THR A 70 2.479 1.619 -8.625 1.00 0.00 C ATOM 1111 C THR A 70 1.800 2.982 -8.700 1.00 0.00 C ATOM 1112 O THR A 70 1.172 3.319 -9.705 1.00 0.00 O ATOM 1113 CB THR A 70 1.459 0.577 -8.130 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.981 -0.744 -8.311 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.140 0.713 -8.877 1.00 0.00 C ATOM 0 H THR A 70 3.558 1.143 -6.891 1.00 0.00 H new ATOM 0 HA THR A 70 2.826 1.334 -9.618 1.00 0.00 H new ATOM 0 HB THR A 70 1.278 0.754 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.327 -1.401 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.565 -0.033 -8.510 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.270 1.710 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.308 0.560 -9.943 1.00 0.00 H new ATOM 1123 N LEU A 71 1.931 3.763 -7.634 1.00 0.00 N ATOM 1124 CA LEU A 71 1.331 5.091 -7.579 1.00 0.00 C ATOM 1125 C LEU A 71 2.404 6.170 -7.476 1.00 0.00 C ATOM 1126 O LEU A 71 2.163 7.249 -6.936 1.00 0.00 O ATOM 1127 CB LEU A 71 0.374 5.192 -6.390 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.591 4.021 -6.204 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.156 4.013 -4.792 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -1.714 4.088 -7.229 1.00 0.00 C ATOM 0 H LEU A 71 2.448 3.499 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 71 0.772 5.248 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.966 5.297 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.211 6.105 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.040 3.093 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.841 3.172 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.341 3.916 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.692 4.944 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.391 3.247 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.263 5.022 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.293 4.043 -8.233 1.00 0.00 H new ATOM 1142 N ALA A 72 3.588 5.871 -8.000 1.00 0.00 N ATOM 1143 CA ALA A 72 4.697 6.817 -7.971 1.00 0.00 C ATOM 1144 C ALA A 72 4.331 8.114 -8.684 1.00 0.00 C ATOM 1145 O ALA A 72 4.947 9.154 -8.454 1.00 0.00 O ATOM 1146 CB ALA A 72 5.936 6.198 -8.600 1.00 0.00 C ATOM 0 H ALA A 72 3.804 4.981 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 72 4.912 7.054 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.756 6.916 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.217 5.303 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.724 5.931 -9.635 1.00 0.00 H new ATOM 1152 N GLU A 73 3.325 8.044 -9.551 1.00 0.00 N ATOM 1153 CA GLU A 73 2.880 9.214 -10.299 1.00 0.00 C ATOM 1154 C GLU A 73 1.718 9.904 -9.589 1.00 0.00 C ATOM 1155 O GLU A 73 1.534 11.114 -9.711 1.00 0.00 O ATOM 1156 CB GLU A 73 2.460 8.812 -11.714 1.00 0.00 C ATOM 1157 CG GLU A 73 1.265 7.875 -11.752 1.00 0.00 C ATOM 1158 CD GLU A 73 0.910 7.438 -13.160 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.164 8.175 -13.839 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.378 6.361 -13.583 1.00 0.00 O ATOM 0 H GLU A 73 2.804 7.191 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 73 3.714 9.914 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.224 9.711 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.303 8.332 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.479 6.995 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.405 8.371 -11.302 1.00 0.00 H new ATOM 1167 N GLU A 74 0.939 9.123 -8.847 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.205 9.659 -8.118 1.00 0.00 C ATOM 1169 C GLU A 74 0.205 10.854 -7.263 1.00 0.00 C ATOM 1170 O GLU A 74 -0.380 11.934 -7.364 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.828 8.576 -7.235 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.508 7.466 -8.019 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.571 6.748 -7.212 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.322 6.466 -6.021 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -3.652 6.467 -7.770 1.00 0.00 O ATOM 0 H GLU A 74 1.079 8.119 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.943 9.993 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.051 8.141 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.557 9.037 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.961 7.886 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.758 6.746 -8.347 1.00 0.00 H new ATOM 1182 N LEU A 75 1.213 10.654 -6.422 1.00 0.00 N ATOM 1183 CA LEU A 75 1.703 11.715 -5.548 1.00 0.00 C ATOM 1184 C LEU A 75 2.381 12.816 -6.356 1.00 0.00 C ATOM 1185 O LEU A 75 2.501 13.952 -5.897 1.00 0.00 O ATOM 1186 CB LEU A 75 2.682 11.144 -4.520 1.00 0.00 C ATOM 1187 CG LEU A 75 3.789 10.247 -5.074 1.00 0.00 C ATOM 1188 CD1 LEU A 75 5.090 10.480 -4.321 1.00 0.00 C ATOM 1189 CD2 LEU A 75 3.380 8.784 -4.996 1.00 0.00 C ATOM 0 H LEU A 75 1.707 9.767 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 75 0.849 12.146 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.147 11.975 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.114 10.574 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 75 3.948 10.503 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.867 9.833 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.391 11.522 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.945 10.252 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.180 8.161 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.193 8.513 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.473 8.628 -5.580 1.00 0.00 H new ATOM 1201 N SER A 76 2.820 12.473 -7.563 1.00 0.00 N ATOM 1202 CA SER A 76 3.487 13.433 -8.435 1.00 0.00 C ATOM 1203 C SER A 76 2.473 14.189 -9.288 1.00 0.00 C ATOM 1204 O SER A 76 2.840 15.004 -10.134 1.00 0.00 O ATOM 1205 CB SER A 76 4.497 12.719 -9.336 1.00 0.00 C ATOM 1206 OG SER A 76 5.707 12.464 -8.644 1.00 0.00 O ATOM 0 H SER A 76 2.726 11.538 -7.959 1.00 0.00 H new ATOM 0 HA SER A 76 4.014 14.151 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.072 11.780 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.699 13.330 -10.216 1.00 0.00 H new ATOM 0 HG SER A 76 6.335 12.006 -9.241 1.00 0.00 H new ATOM 1212 N THR A 77 1.193 13.911 -9.059 1.00 0.00 N ATOM 1213 CA THR A 77 0.125 14.563 -9.806 1.00 0.00 C ATOM 1214 C THR A 77 -0.642 15.544 -8.926 1.00 0.00 C ATOM 1215 O THR A 77 -0.532 16.759 -9.091 1.00 0.00 O ATOM 1216 CB THR A 77 -0.862 13.534 -10.388 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.179 12.655 -11.289 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.002 14.229 -11.117 1.00 0.00 C ATOM 0 H THR A 77 0.871 13.239 -8.362 1.00 0.00 H new ATOM 0 HA THR A 77 0.598 15.106 -10.624 1.00 0.00 H new ATOM 0 HB THR A 77 -1.278 12.956 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.441 12.088 -10.785 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.686 13.482 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.538 14.875 -10.422 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.600 14.829 -11.933 1.00 0.00 H new ATOM 1226 N THR A 78 -1.419 15.009 -7.989 1.00 0.00 N ATOM 1227 CA THR A 78 -2.205 15.837 -7.083 1.00 0.00 C ATOM 1228 C THR A 78 -1.914 15.489 -5.628 1.00 0.00 C ATOM 1229 O THR A 78 -1.540 16.353 -4.835 1.00 0.00 O ATOM 1230 CB THR A 78 -3.715 15.680 -7.345 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.107 16.494 -8.456 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.521 16.069 -6.115 1.00 0.00 C ATOM 0 H THR A 78 -1.521 14.005 -7.838 1.00 0.00 H new ATOM 0 HA THR A 78 -1.917 16.871 -7.271 1.00 0.00 H new ATOM 0 HB THR A 78 -3.915 14.633 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.068 16.387 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.584 15.950 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.242 15.428 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.316 17.108 -5.859 1.00 0.00 H new ATOM 1240 N VAL A 79 -2.087 14.217 -5.283 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.841 13.754 -3.922 1.00 0.00 C ATOM 1242 C VAL A 79 -0.479 14.221 -3.421 1.00 0.00 C ATOM 1243 O VAL A 79 0.519 14.143 -4.138 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.910 12.218 -3.831 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.399 11.740 -2.481 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.332 11.734 -4.074 1.00 0.00 C ATOM 0 H VAL A 79 -2.396 13.489 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.623 14.183 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.269 11.796 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.455 10.652 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.364 12.056 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.011 12.169 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.363 10.647 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.996 12.163 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.658 12.045 -5.067 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.444 14.706 -2.184 1.00 0.00 N ATOM 1257 CA HIS A 80 0.796 15.185 -1.585 1.00 0.00 C ATOM 1258 C HIS A 80 1.344 14.171 -0.585 1.00 0.00 C ATOM 1259 O HIS A 80 2.464 13.684 -0.731 1.00 0.00 O ATOM 1260 CB HIS A 80 0.568 16.529 -0.892 1.00 0.00 C ATOM 1261 CG HIS A 80 1.802 17.372 -0.797 1.00 0.00 C ATOM 1262 ND1 HIS A 80 2.049 18.443 -1.630 1.00 0.00 N ATOM 1263 CD2 HIS A 80 2.862 17.297 0.041 1.00 0.00 C ATOM 1264 CE1 HIS A 80 3.208 18.989 -1.310 1.00 0.00 C ATOM 1265 NE2 HIS A 80 3.722 18.313 -0.298 1.00 0.00 N ATOM 0 H HIS A 80 -1.261 14.778 -1.577 1.00 0.00 H new ATOM 0 HA HIS A 80 1.528 15.315 -2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.199 17.082 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.182 16.350 0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.005 16.573 0.830 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.659 19.843 -1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.612 18.513 0.157 1.00 0.00 H new ATOM 1274 N ALA A 81 0.546 13.859 0.431 1.00 0.00 N ATOM 1275 CA ALA A 81 0.950 12.902 1.454 1.00 0.00 C ATOM 1276 C ALA A 81 -0.150 11.878 1.712 1.00 0.00 C ATOM 1277 O ALA A 81 -1.319 12.232 1.865 1.00 0.00 O ATOM 1278 CB ALA A 81 1.312 13.627 2.741 1.00 0.00 C ATOM 0 H ALA A 81 -0.384 14.255 0.568 1.00 0.00 H new ATOM 0 HA ALA A 81 1.829 12.369 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.612 12.900 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.136 14.315 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.448 14.187 3.099 1.00 0.00 H new ATOM 1284 N LEU A 82 0.232 10.606 1.760 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.722 9.529 2.000 1.00 0.00 C ATOM 1286 C LEU A 82 -0.185 8.547 3.036 1.00 0.00 C ATOM 1287 O LEU A 82 0.999 8.213 3.034 1.00 0.00 O ATOM 1288 CB LEU A 82 -1.029 8.793 0.694 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.654 7.405 0.837 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.839 7.449 1.789 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -2.079 6.869 -0.522 1.00 0.00 C ATOM 0 H LEU A 82 1.196 10.296 1.636 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.641 9.970 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.701 9.413 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.102 8.696 0.129 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.905 6.731 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.271 6.452 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.506 7.789 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.591 8.137 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.522 5.880 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.812 7.543 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.208 6.799 -1.174 1.00 0.00 H new ATOM 1303 N ALA A 83 -1.065 8.086 3.919 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.681 7.139 4.958 1.00 0.00 C ATOM 1305 C ALA A 83 -1.131 5.725 4.605 1.00 0.00 C ATOM 1306 O ALA A 83 -2.266 5.336 4.884 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.263 7.561 6.298 1.00 0.00 C ATOM 0 H ALA A 83 -2.049 8.353 3.935 1.00 0.00 H new ATOM 0 HA ALA A 83 0.407 7.139 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.968 6.844 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.888 8.550 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.350 7.591 6.229 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.235 4.961 3.990 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.541 3.589 3.599 1.00 0.00 C ATOM 1315 C LEU A 84 -0.641 2.683 4.822 1.00 0.00 C ATOM 1316 O LEU A 84 0.307 2.562 5.598 1.00 0.00 O ATOM 1317 CB LEU A 84 0.532 3.059 2.645 1.00 0.00 C ATOM 1318 CG LEU A 84 0.810 3.914 1.407 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.011 3.374 0.646 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.416 3.964 0.507 1.00 0.00 C ATOM 0 H LEU A 84 0.708 5.268 3.751 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.505 3.589 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.462 2.948 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.237 2.063 2.315 1.00 0.00 H new ATOM 0 HG LEU A 84 1.038 4.929 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.195 3.994 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.889 3.391 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.812 2.350 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.200 4.576 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.675 2.954 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.252 4.397 1.055 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.796 2.046 4.986 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.020 1.148 6.114 1.00 0.00 C ATOM 1334 C HIS A 85 -2.232 -0.285 5.634 1.00 0.00 C ATOM 1335 O HIS A 85 -3.366 -0.758 5.538 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.229 1.609 6.929 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.890 2.614 7.986 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.737 2.552 8.742 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.558 3.711 8.412 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.713 3.567 9.587 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.806 4.286 9.408 1.00 0.00 N ATOM 0 H HIS A 85 -2.591 2.135 4.353 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.133 1.173 6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.969 2.039 6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.692 0.742 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.506 4.068 8.038 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.932 3.774 10.303 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.052 5.130 9.925 1.00 0.00 H new ATOM 1350 N THR A 86 -1.135 -0.971 5.331 1.00 0.00 N ATOM 1351 CA THR A 86 -1.201 -2.349 4.859 1.00 0.00 C ATOM 1352 C THR A 86 -1.195 -3.330 6.025 1.00 0.00 C ATOM 1353 O THR A 86 -0.325 -3.271 6.895 1.00 0.00 O ATOM 1354 CB THR A 86 -0.025 -2.677 3.920 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.218 -2.412 4.579 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.111 -1.860 2.640 1.00 0.00 C ATOM 0 H THR A 86 -0.190 -0.595 5.404 1.00 0.00 H new ATOM 0 HA THR A 86 -2.136 -2.451 4.308 1.00 0.00 H new ATOM 0 HB THR A 86 -0.079 -3.735 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.094 -2.476 5.549 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.730 -2.109 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.045 -2.087 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.080 -0.798 2.883 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.168 -4.234 6.037 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.276 -5.228 7.098 1.00 0.00 C ATOM 1366 C TYR A 87 -2.463 -6.627 6.518 1.00 0.00 C ATOM 1367 O TYR A 87 -2.764 -6.786 5.334 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.442 -4.889 8.027 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.166 -3.720 8.945 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.006 -2.436 8.437 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.064 -3.898 10.319 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.752 -1.365 9.271 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.813 -2.832 11.161 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.657 -1.567 10.632 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.405 -0.503 11.467 1.00 0.00 O ATOM 0 H TYR A 87 -2.894 -4.299 5.323 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.348 -5.213 7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.323 -4.667 7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.681 -5.765 8.630 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.082 -2.273 7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.183 -4.887 10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.628 -0.374 8.860 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.739 -2.988 12.227 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.370 -0.816 12.395 1.00 0.00 H new ATOM 1385 N THR A 88 -2.282 -7.639 7.360 1.00 0.00 N ATOM 1386 CA THR A 88 -2.429 -9.025 6.932 1.00 0.00 C ATOM 1387 C THR A 88 -3.680 -9.655 7.534 1.00 0.00 C ATOM 1388 O THR A 88 -4.063 -9.342 8.662 1.00 0.00 O ATOM 1389 CB THR A 88 -1.202 -9.868 7.326 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.692 -9.430 8.590 1.00 0.00 O ATOM 1391 CG2 THR A 88 -0.112 -9.764 6.270 1.00 0.00 C ATOM 0 H THR A 88 -2.033 -7.525 8.343 1.00 0.00 H new ATOM 0 HA THR A 88 -2.518 -9.013 5.846 1.00 0.00 H new ATOM 0 HB THR A 88 -1.514 -10.910 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.087 -9.972 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.744 -10.368 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.494 -10.126 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.196 -8.724 6.166 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.311 -10.545 6.776 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.518 -11.221 7.237 1.00 0.00 C ATOM 1401 C ILE A 89 -5.399 -11.618 8.704 1.00 0.00 C ATOM 1402 O ILE A 89 -6.377 -11.578 9.451 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.813 -12.479 6.399 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -6.180 -12.088 4.965 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.933 -13.289 7.035 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.987 -11.999 4.040 1.00 0.00 C ATOM 0 H ILE A 89 -4.007 -10.815 5.840 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.340 -10.515 7.120 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.915 -13.097 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.885 -12.818 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.692 -11.126 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.130 -14.175 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.637 -13.593 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.836 -12.680 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.321 -11.718 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.291 -11.248 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.487 -12.967 3.996 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.194 -12.001 9.113 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.945 -12.403 10.492 1.00 0.00 C ATOM 1420 C LYS A 90 -4.035 -11.205 11.432 1.00 0.00 C ATOM 1421 O LYS A 90 -4.885 -11.166 12.321 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.566 -13.057 10.613 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.576 -14.551 10.339 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.930 -15.344 11.587 1.00 0.00 C ATOM 1425 CE LYS A 90 -1.756 -15.421 12.550 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.194 -15.759 13.933 1.00 0.00 N ATOM 0 H LYS A 90 -3.374 -12.041 8.508 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.710 -13.125 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.881 -12.573 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.177 -12.883 11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.295 -14.772 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.597 -14.862 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.781 -14.879 12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.237 -16.351 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.048 -16.172 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.230 -14.466 12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.365 -15.802 14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.850 -15.029 14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.673 -16.682 13.930 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.153 -10.231 11.229 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.135 -9.033 12.059 1.00 0.00 C ATOM 1442 C GLU A 91 -4.536 -8.441 12.191 1.00 0.00 C ATOM 1443 O GLU A 91 -4.916 -7.951 13.254 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.183 -7.991 11.469 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.720 -8.259 11.779 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.302 -7.721 13.134 1.00 0.00 C ATOM 1447 OE1 GLU A 91 0.133 -6.553 13.201 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.411 -8.470 14.128 1.00 0.00 O ATOM 0 H GLU A 91 -2.442 -10.248 10.497 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.783 -9.315 13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.317 -7.960 10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.453 -7.007 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.537 -9.333 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.100 -7.806 11.005 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.296 -8.490 11.103 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.655 -7.958 11.096 1.00 0.00 C ATOM 1457 C TRP A 92 -7.612 -8.900 11.818 1.00 0.00 C ATOM 1458 O TRP A 92 -8.489 -8.459 12.560 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.128 -7.732 9.660 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.111 -6.607 9.528 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.310 -6.639 8.876 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.976 -5.285 10.061 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.929 -5.416 8.971 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.132 -4.569 9.694 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.994 -4.638 10.814 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.328 -3.238 10.054 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.190 -3.317 11.171 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.350 -2.629 10.791 1.00 0.00 C ATOM 0 H TRP A 92 -4.995 -8.892 10.215 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.648 -7.004 11.623 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.264 -7.526 9.029 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.584 -8.649 9.287 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.713 -7.499 8.361 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.835 -5.178 8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.097 -5.161 11.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.221 -2.705 9.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.436 -2.807 11.753 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.474 -1.597 11.086 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.437 -10.199 11.595 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.287 -11.202 12.225 1.00 0.00 C ATOM 1481 C GLU A 93 -8.481 -10.898 13.708 1.00 0.00 C ATOM 1482 O GLU A 93 -9.445 -11.350 14.324 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.681 -12.597 12.055 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.143 -13.312 10.796 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.391 -14.144 11.023 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.497 -13.565 11.026 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.260 -15.373 11.197 1.00 0.00 O ATOM 0 H GLU A 93 -6.715 -10.581 10.984 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.260 -11.174 11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.594 -12.512 12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.939 -13.204 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.338 -12.576 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.342 -13.956 10.434 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.557 -10.128 14.274 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.643 -9.777 15.679 1.00 0.00 C ATOM 1496 C GLY A 94 -6.471 -8.933 16.139 1.00 0.00 C ATOM 1497 O GLY A 94 -5.767 -9.296 17.083 1.00 0.00 O ATOM 0 H GLY A 94 -6.750 -9.741 13.784 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.571 -9.233 15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.687 -10.688 16.276 1.00 0.00 H new ATOM 1501 N LEU A 95 -6.258 -7.805 15.471 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.161 -6.907 15.816 1.00 0.00 C ATOM 1503 C LEU A 95 -5.117 -6.652 17.319 1.00 0.00 C ATOM 1504 O LEU A 95 -4.057 -6.726 17.939 1.00 0.00 O ATOM 1505 CB LEU A 95 -5.306 -5.582 15.066 1.00 0.00 C ATOM 1506 CG LEU A 95 -4.186 -4.563 15.281 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -2.882 -5.068 14.683 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.566 -3.218 14.678 1.00 0.00 C ATOM 0 H LEU A 95 -6.830 -7.490 14.687 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.227 -7.385 15.521 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.375 -5.797 14.000 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.250 -5.122 15.360 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.042 -4.431 16.353 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.097 -4.330 14.846 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.602 -6.007 15.161 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.011 -5.230 13.613 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.758 -2.505 14.840 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.738 -3.334 13.608 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.475 -2.850 15.153 1.00 0.00 H new ATOM 1520 N GLN A 96 -6.276 -6.355 17.897 1.00 0.00 N ATOM 1521 CA GLN A 96 -6.369 -6.091 19.328 1.00 0.00 C ATOM 1522 C GLN A 96 -5.525 -7.083 20.121 1.00 0.00 C ATOM 1523 O GLN A 96 -4.686 -6.691 20.932 1.00 0.00 O ATOM 1524 CB GLN A 96 -7.827 -6.162 19.787 1.00 0.00 C ATOM 1525 CG GLN A 96 -8.654 -4.955 19.375 1.00 0.00 C ATOM 1526 CD GLN A 96 -8.931 -4.920 17.885 1.00 0.00 C ATOM 1527 OE1 GLN A 96 -9.156 -5.956 17.258 1.00 0.00 O ATOM 1528 NE2 GLN A 96 -8.917 -3.724 17.308 1.00 0.00 N ATOM 0 H GLN A 96 -7.163 -6.291 17.397 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.985 -5.088 19.512 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.285 -7.062 19.377 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.853 -6.257 20.873 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.600 -4.965 19.917 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.130 -4.044 19.665 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.726 -2.891 17.865 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -9.097 -3.638 16.308 1.00 0.00 H new ATOM 1537 N ASP A 97 -5.753 -8.370 19.882 1.00 0.00 N ATOM 1538 CA ASP A 97 -5.013 -9.419 20.573 1.00 0.00 C ATOM 1539 C ASP A 97 -3.533 -9.064 20.674 1.00 0.00 C ATOM 1540 O ASP A 97 -3.033 -8.223 19.927 1.00 0.00 O ATOM 1541 CB ASP A 97 -5.181 -10.755 19.847 1.00 0.00 C ATOM 1542 CG ASP A 97 -4.129 -11.769 20.249 1.00 0.00 C ATOM 1543 OD1 ASP A 97 -3.955 -11.994 21.465 1.00 0.00 O ATOM 1544 OD2 ASP A 97 -3.479 -12.338 19.348 1.00 0.00 O ATOM 0 H ASP A 97 -6.445 -8.712 19.215 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.416 -9.509 21.582 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.171 -11.159 20.060 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.129 -10.589 18.771 1.00 0.00 H new ATOM 1549 N THR A 98 -2.837 -9.709 21.605 1.00 0.00 N ATOM 1550 CA THR A 98 -1.415 -9.460 21.806 1.00 0.00 C ATOM 1551 C THR A 98 -0.601 -10.733 21.610 1.00 0.00 C ATOM 1552 O THR A 98 0.371 -10.751 20.854 1.00 0.00 O ATOM 1553 CB THR A 98 -1.137 -8.897 23.213 1.00 0.00 C ATOM 1554 OG1 THR A 98 0.246 -8.545 23.335 1.00 0.00 O ATOM 1555 CG2 THR A 98 -1.503 -9.913 24.284 1.00 0.00 C ATOM 0 H THR A 98 -3.235 -10.408 22.232 1.00 0.00 H new ATOM 0 HA THR A 98 -1.115 -8.722 21.062 1.00 0.00 H new ATOM 0 HB THR A 98 -1.752 -8.008 23.353 1.00 0.00 H new ATOM 0 HG1 THR A 98 0.414 -8.187 24.231 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.298 -9.493 25.269 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.562 -10.157 24.207 1.00 0.00 H new ATOM 0 HG23 THR A 98 -0.911 -10.818 24.145 1.00 0.00 H new ATOM 1563 N VAL A 99 -1.003 -11.799 22.296 1.00 0.00 N ATOM 1564 CA VAL A 99 -0.310 -13.078 22.196 1.00 0.00 C ATOM 1565 C VAL A 99 0.012 -13.417 20.745 1.00 0.00 C ATOM 1566 O VAL A 99 -0.814 -13.221 19.853 1.00 0.00 O ATOM 1567 CB VAL A 99 -1.148 -14.219 22.804 1.00 0.00 C ATOM 1568 CG1 VAL A 99 -2.520 -14.281 22.150 1.00 0.00 C ATOM 1569 CG2 VAL A 99 -0.421 -15.547 22.664 1.00 0.00 C ATOM 0 H VAL A 99 -1.805 -11.802 22.927 1.00 0.00 H new ATOM 0 HA VAL A 99 0.619 -12.979 22.758 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.287 -14.018 23.866 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.098 -15.093 22.592 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.041 -13.337 22.308 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.406 -14.458 21.081 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.028 -16.341 23.099 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.249 -15.758 21.609 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.535 -15.495 23.184 1.00 0.00 H new ATOM 1579 N PHE A 100 1.217 -13.926 20.515 1.00 0.00 N ATOM 1580 CA PHE A 100 1.649 -14.292 19.172 1.00 0.00 C ATOM 1581 C PHE A 100 1.596 -15.805 18.976 1.00 0.00 C ATOM 1582 O PHE A 100 2.059 -16.568 19.823 1.00 0.00 O ATOM 1583 CB PHE A 100 3.069 -13.783 18.913 1.00 0.00 C ATOM 1584 CG PHE A 100 3.131 -12.318 18.590 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.406 -11.798 17.530 1.00 0.00 C ATOM 1586 CD2 PHE A 100 3.914 -11.460 19.346 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.462 -10.450 17.229 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.973 -10.111 19.050 1.00 0.00 C ATOM 1589 CZ PHE A 100 3.245 -9.606 17.991 1.00 0.00 C ATOM 0 H PHE A 100 1.912 -14.095 21.242 1.00 0.00 H new ATOM 0 HA PHE A 100 0.968 -13.827 18.460 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.683 -13.979 19.792 1.00 0.00 H new ATOM 0 HB3 PHE A 100 3.504 -14.347 18.088 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.790 -12.453 16.932 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.485 -11.850 20.176 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.894 -10.057 16.399 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.588 -9.453 19.646 1.00 0.00 H new ATOM 0 HZ PHE A 100 3.288 -8.552 17.759 1.00 0.00 H new ATOM 1599 N ALA A 101 1.026 -16.230 17.853 1.00 0.00 N ATOM 1600 CA ALA A 101 0.912 -17.650 17.545 1.00 0.00 C ATOM 1601 C ALA A 101 1.425 -17.950 16.141 1.00 0.00 C ATOM 1602 O ALA A 101 0.743 -17.684 15.151 1.00 0.00 O ATOM 1603 CB ALA A 101 -0.531 -18.108 17.691 1.00 0.00 C ATOM 0 H ALA A 101 0.636 -15.611 17.142 1.00 0.00 H new ATOM 0 HA ALA A 101 1.530 -18.201 18.254 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.601 -19.170 17.458 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.865 -17.938 18.715 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.163 -17.544 17.005 1.00 0.00 H new ATOM 1609 N SER A 102 2.631 -18.504 16.061 1.00 0.00 N ATOM 1610 CA SER A 102 3.237 -18.835 14.777 1.00 0.00 C ATOM 1611 C SER A 102 2.443 -19.928 14.068 1.00 0.00 C ATOM 1612 O SER A 102 1.906 -20.845 14.690 1.00 0.00 O ATOM 1613 CB SER A 102 4.685 -19.288 14.974 1.00 0.00 C ATOM 1614 OG SER A 102 5.506 -18.206 15.378 1.00 0.00 O ATOM 0 H SER A 102 3.207 -18.733 16.871 1.00 0.00 H new ATOM 0 HA SER A 102 3.225 -17.939 14.156 1.00 0.00 H new ATOM 0 HB2 SER A 102 4.724 -20.078 15.724 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.067 -19.711 14.045 1.00 0.00 H new ATOM 0 HG SER A 102 6.426 -18.521 15.499 1.00 0.00 H new ATOM 1620 N PRO A 103 2.365 -19.829 12.732 1.00 0.00 N ATOM 1621 CA PRO A 103 1.639 -20.800 11.908 1.00 0.00 C ATOM 1622 C PRO A 103 2.333 -22.158 11.865 1.00 0.00 C ATOM 1623 O PRO A 103 3.486 -22.280 11.451 1.00 0.00 O ATOM 1624 CB PRO A 103 1.639 -20.156 10.519 1.00 0.00 C ATOM 1625 CG PRO A 103 2.833 -19.265 10.515 1.00 0.00 C ATOM 1626 CD PRO A 103 2.980 -18.763 11.924 1.00 0.00 C ATOM 0 HA PRO A 103 0.642 -21.002 12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.704 -20.909 9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.723 -19.591 10.344 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.724 -19.808 10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.700 -18.438 9.818 1.00 0.00 H new ATOM 0 HD2 PRO A 103 4.026 -18.611 12.189 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.473 -17.808 12.065 1.00 0.00 H new ATOM 1634 N PRO A 104 1.616 -23.203 12.303 1.00 0.00 N ATOM 1635 CA PRO A 104 2.142 -24.571 12.324 1.00 0.00 C ATOM 1636 C PRO A 104 2.311 -25.148 10.922 1.00 0.00 C ATOM 1637 O PRO A 104 1.331 -25.473 10.252 1.00 0.00 O ATOM 1638 CB PRO A 104 1.076 -25.350 13.098 1.00 0.00 C ATOM 1639 CG PRO A 104 -0.179 -24.573 12.899 1.00 0.00 C ATOM 1640 CD PRO A 104 0.235 -23.131 12.811 1.00 0.00 C ATOM 0 HA PRO A 104 3.134 -24.619 12.773 1.00 0.00 H new ATOM 0 HB2 PRO A 104 0.976 -26.367 12.720 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.331 -25.427 14.155 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -0.692 -24.887 11.990 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.871 -24.730 13.727 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.412 -22.568 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 104 0.189 -22.640 13.783 1.00 0.00 H new ATOM 1648 N CYS A 105 3.560 -25.274 10.486 1.00 0.00 N ATOM 1649 CA CYS A 105 3.857 -25.813 9.164 1.00 0.00 C ATOM 1650 C CYS A 105 5.260 -26.408 9.122 1.00 0.00 C ATOM 1651 O CYS A 105 6.032 -26.273 10.072 1.00 0.00 O ATOM 1652 CB CYS A 105 3.722 -24.719 8.103 1.00 0.00 C ATOM 1653 SG CYS A 105 5.035 -23.477 8.153 1.00 0.00 S ATOM 0 H CYS A 105 4.382 -25.010 11.029 1.00 0.00 H new ATOM 0 HA CYS A 105 3.140 -26.606 8.952 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.713 -25.183 7.117 1.00 0.00 H new ATOM 0 HB3 CYS A 105 2.761 -24.221 8.230 1.00 0.00 H new ATOM 0 HG CYS A 105 6.191 -24.064 8.061 1.00 0.00 H new ATOM 1659 N ARG A 106 5.584 -27.070 8.016 1.00 0.00 N ATOM 1660 CA ARG A 106 6.894 -27.690 7.852 1.00 0.00 C ATOM 1661 C ARG A 106 8.008 -26.663 8.036 1.00 0.00 C ATOM 1662 O ARG A 106 7.791 -25.462 7.881 1.00 0.00 O ATOM 1663 CB ARG A 106 7.006 -28.336 6.470 1.00 0.00 C ATOM 1664 CG ARG A 106 8.216 -29.244 6.318 1.00 0.00 C ATOM 1665 CD ARG A 106 8.459 -29.610 4.863 1.00 0.00 C ATOM 1666 NE ARG A 106 9.176 -28.559 4.146 1.00 0.00 N ATOM 1667 CZ ARG A 106 9.417 -28.593 2.840 1.00 0.00 C ATOM 1668 NH1 ARG A 106 8.999 -29.619 2.112 1.00 0.00 N ATOM 1669 NH2 ARG A 106 10.076 -27.598 2.260 1.00 0.00 N ATOM 0 H ARG A 106 4.958 -27.191 7.220 1.00 0.00 H new ATOM 0 HA ARG A 106 7.002 -28.460 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.102 -28.913 6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.054 -27.552 5.714 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.098 -28.747 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.067 -30.152 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 106 9.030 -30.537 4.813 1.00 0.00 H new ATOM 0 HD3 ARG A 106 7.504 -29.797 4.372 1.00 0.00 H new ATOM 0 HE ARG A 106 9.510 -27.755 4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.491 -30.385 2.554 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.185 -29.643 1.109 1.00 0.00 H new ATOM 0 HH21 ARG A 106 10.398 -26.806 2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.261 -27.625 1.257 1.00 0.00 H new ATOM 1683 N GLY A 107 9.201 -27.146 8.369 1.00 0.00 N ATOM 1684 CA GLY A 107 10.331 -26.258 8.570 1.00 0.00 C ATOM 1685 C GLY A 107 11.661 -26.958 8.376 1.00 0.00 C ATOM 1686 O GLY A 107 11.796 -27.817 7.505 1.00 0.00 O ATOM 0 H GLY A 107 9.405 -28.136 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.260 -25.421 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 107 10.287 -25.841 9.576 1.00 0.00 H new TER 1690 GLY A 107