USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 GLN : amide:sc= 0.193 K(o=-1.9,f=-5.6) USER MOD Set 1.2: A 58 MET CE :methyl 164:sc= -1.92! (180deg=-2.29!) USER MOD Set 1.3: A 61 CYS SG : rot -90:sc= -0.211 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 39:sc= 0.288 USER MOD Single : A 5 SER OG : rot 10:sc= 0.735 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 12 GLN : amide:sc= -0.0302 K(o=-0.03,f=-1.4) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.172) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 0.0638 (180deg=-4.62!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 30 MET CE :methyl -156:sc= -5.69! (180deg=-8.61!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0231 USER MOD Single : A 38 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 150:sc= -3.11! USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0462 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.35) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.23 K(o=-1.2,f=-4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.11! C(o=-1.1!,f=-4.3!) USER MOD Single : A 80 THR OG1 : rot 90:sc= -0.162 USER MOD Single : A 81 LYS NZ :NH3+ 157:sc= 0.0458 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -125:sc= -1.44 (180deg=-3.19!) USER MOD Single : A 84 TYR OH : rot 51:sc= 0.00234 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 49:sc= 0.46 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.113 25.929 0.467 1.00 0.00 N ATOM 2 CA GLY A 1 26.942 25.817 -0.718 1.00 0.00 C ATOM 3 C GLY A 1 26.345 24.889 -1.758 1.00 0.00 C ATOM 4 O GLY A 1 25.290 25.176 -2.322 1.00 0.00 O ATOM 0 H1 GLY A 1 26.564 26.574 1.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.179 26.302 0.203 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.001 24.991 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.081 26.806 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.929 25.452 -0.434 1.00 0.00 H new ATOM 8 N SER A 2 27.023 23.774 -2.013 1.00 0.00 N ATOM 9 CA SER A 2 26.556 22.804 -2.997 1.00 0.00 C ATOM 10 C SER A 2 25.172 22.279 -2.626 1.00 0.00 C ATOM 11 O SER A 2 25.029 21.462 -1.717 1.00 0.00 O ATOM 12 CB SER A 2 27.543 21.640 -3.105 1.00 0.00 C ATOM 13 OG SER A 2 28.834 22.099 -3.467 1.00 0.00 O ATOM 0 H SER A 2 27.897 23.520 -1.552 1.00 0.00 H new ATOM 0 HA SER A 2 26.489 23.305 -3.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.595 21.113 -2.152 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.187 20.924 -3.846 1.00 0.00 H new ATOM 0 HG SER A 2 29.447 21.337 -3.528 1.00 0.00 H new ATOM 19 N SER A 3 24.155 22.755 -3.338 1.00 0.00 N ATOM 20 CA SER A 3 22.782 22.337 -3.083 1.00 0.00 C ATOM 21 C SER A 3 21.965 22.338 -4.372 1.00 0.00 C ATOM 22 O SER A 3 21.810 23.372 -5.021 1.00 0.00 O ATOM 23 CB SER A 3 22.129 23.260 -2.052 1.00 0.00 C ATOM 24 OG SER A 3 22.212 24.616 -2.456 1.00 0.00 O ATOM 0 H SER A 3 24.257 23.430 -4.096 1.00 0.00 H new ATOM 0 HA SER A 3 22.805 21.321 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.084 22.980 -1.919 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.618 23.135 -1.086 1.00 0.00 H new ATOM 0 HG SER A 3 22.063 24.679 -3.423 1.00 0.00 H new ATOM 30 N GLY A 4 21.446 21.170 -4.737 1.00 0.00 N ATOM 31 CA GLY A 4 20.652 21.056 -5.947 1.00 0.00 C ATOM 32 C GLY A 4 21.137 19.946 -6.857 1.00 0.00 C ATOM 33 O GLY A 4 21.990 20.166 -7.717 1.00 0.00 O ATOM 0 H GLY A 4 21.561 20.300 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.611 20.873 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.680 22.002 -6.487 1.00 0.00 H new ATOM 37 N SER A 5 20.595 18.747 -6.666 1.00 0.00 N ATOM 38 CA SER A 5 20.982 17.596 -7.473 1.00 0.00 C ATOM 39 C SER A 5 19.880 16.540 -7.477 1.00 0.00 C ATOM 40 O SER A 5 19.308 16.221 -6.435 1.00 0.00 O ATOM 41 CB SER A 5 22.283 16.990 -6.944 1.00 0.00 C ATOM 42 OG SER A 5 23.391 17.820 -7.243 1.00 0.00 O ATOM 0 H SER A 5 19.887 18.548 -5.960 1.00 0.00 H new ATOM 0 HA SER A 5 21.138 17.937 -8.496 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.210 16.850 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.434 16.004 -7.384 1.00 0.00 H new ATOM 0 HG SER A 5 23.072 18.681 -7.584 1.00 0.00 H new ATOM 48 N SER A 6 19.589 16.002 -8.657 1.00 0.00 N ATOM 49 CA SER A 6 18.554 14.985 -8.799 1.00 0.00 C ATOM 50 C SER A 6 18.959 13.695 -8.093 1.00 0.00 C ATOM 51 O SER A 6 20.143 13.375 -7.992 1.00 0.00 O ATOM 52 CB SER A 6 18.282 14.707 -10.279 1.00 0.00 C ATOM 53 OG SER A 6 17.333 15.619 -10.803 1.00 0.00 O ATOM 0 H SER A 6 20.055 16.254 -9.529 1.00 0.00 H new ATOM 0 HA SER A 6 17.643 15.362 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.212 14.781 -10.843 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.916 13.687 -10.399 1.00 0.00 H new ATOM 0 HG SER A 6 17.178 15.421 -11.750 1.00 0.00 H new ATOM 59 N GLY A 7 17.966 12.957 -7.607 1.00 0.00 N ATOM 60 CA GLY A 7 18.239 11.710 -6.916 1.00 0.00 C ATOM 61 C GLY A 7 17.084 11.268 -6.039 1.00 0.00 C ATOM 62 O GLY A 7 16.389 10.303 -6.355 1.00 0.00 O ATOM 0 H GLY A 7 16.978 13.200 -7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.453 10.932 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.133 11.826 -6.303 1.00 0.00 H new ATOM 66 N MET A 8 16.879 11.976 -4.933 1.00 0.00 N ATOM 67 CA MET A 8 15.800 11.651 -4.007 1.00 0.00 C ATOM 68 C MET A 8 14.522 11.301 -4.763 1.00 0.00 C ATOM 69 O MET A 8 14.092 12.039 -5.649 1.00 0.00 O ATOM 70 CB MET A 8 15.541 12.824 -3.060 1.00 0.00 C ATOM 71 CG MET A 8 14.628 12.475 -1.896 1.00 0.00 C ATOM 72 SD MET A 8 14.838 13.586 -0.491 1.00 0.00 S ATOM 73 CE MET A 8 15.700 12.519 0.660 1.00 0.00 C ATOM 0 H MET A 8 17.445 12.778 -4.656 1.00 0.00 H new ATOM 0 HA MET A 8 16.105 10.783 -3.423 1.00 0.00 H new ATOM 0 HB2 MET A 8 16.494 13.182 -2.669 1.00 0.00 H new ATOM 0 HB3 MET A 8 15.099 13.645 -3.624 1.00 0.00 H new ATOM 0 HG2 MET A 8 13.591 12.510 -2.230 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.826 11.452 -1.578 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.901 13.065 1.582 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.082 11.649 0.882 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.642 12.193 0.218 1.00 0.00 H new ATOM 83 N ALA A 9 13.920 10.170 -4.408 1.00 0.00 N ATOM 84 CA ALA A 9 12.691 9.724 -5.052 1.00 0.00 C ATOM 85 C ALA A 9 11.551 10.704 -4.797 1.00 0.00 C ATOM 86 O ALA A 9 11.499 11.354 -3.752 1.00 0.00 O ATOM 87 CB ALA A 9 12.314 8.334 -4.563 1.00 0.00 C ATOM 0 H ALA A 9 14.264 9.546 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 9 12.867 9.684 -6.127 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.394 8.013 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.115 7.635 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.162 8.357 -3.484 1.00 0.00 H new ATOM 93 N LEU A 10 10.639 10.807 -5.758 1.00 0.00 N ATOM 94 CA LEU A 10 9.499 11.709 -5.637 1.00 0.00 C ATOM 95 C LEU A 10 8.362 11.049 -4.864 1.00 0.00 C ATOM 96 O LEU A 10 7.353 10.651 -5.445 1.00 0.00 O ATOM 97 CB LEU A 10 9.010 12.132 -7.024 1.00 0.00 C ATOM 98 CG LEU A 10 9.753 13.302 -7.669 1.00 0.00 C ATOM 99 CD1 LEU A 10 9.345 14.616 -7.022 1.00 0.00 C ATOM 100 CD2 LEU A 10 11.258 13.100 -7.567 1.00 0.00 C ATOM 0 H LEU A 10 10.667 10.277 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 10 9.822 12.593 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.080 11.272 -7.690 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.954 12.394 -6.951 1.00 0.00 H new ATOM 0 HG LEU A 10 9.482 13.341 -8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.884 15.437 -7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.273 14.766 -7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.585 14.588 -5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.770 13.943 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.546 13.034 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.537 12.179 -8.079 1.00 0.00 H new ATOM 112 N GLU A 11 8.532 10.939 -3.550 1.00 0.00 N ATOM 113 CA GLU A 11 7.519 10.329 -2.698 1.00 0.00 C ATOM 114 C GLU A 11 6.837 9.164 -3.411 1.00 0.00 C ATOM 115 O GLU A 11 5.615 9.030 -3.372 1.00 0.00 O ATOM 116 CB GLU A 11 6.476 11.368 -2.283 1.00 0.00 C ATOM 117 CG GLU A 11 5.800 12.055 -3.459 1.00 0.00 C ATOM 118 CD GLU A 11 4.481 12.698 -3.079 1.00 0.00 C ATOM 119 OE1 GLU A 11 4.302 13.027 -1.888 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.627 12.872 -3.974 1.00 0.00 O ATOM 0 H GLU A 11 9.361 11.264 -3.053 1.00 0.00 H new ATOM 0 HA GLU A 11 8.015 9.946 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.716 10.883 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.955 12.122 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.468 12.816 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.630 11.326 -4.252 1.00 0.00 H new ATOM 127 N GLN A 12 7.638 8.326 -4.061 1.00 0.00 N ATOM 128 CA GLN A 12 7.112 7.174 -4.784 1.00 0.00 C ATOM 129 C GLN A 12 7.066 5.943 -3.886 1.00 0.00 C ATOM 130 O GLN A 12 6.006 5.350 -3.680 1.00 0.00 O ATOM 131 CB GLN A 12 7.967 6.887 -6.020 1.00 0.00 C ATOM 132 CG GLN A 12 7.433 5.752 -6.879 1.00 0.00 C ATOM 133 CD GLN A 12 6.121 6.099 -7.553 1.00 0.00 C ATOM 134 OE1 GLN A 12 5.737 7.266 -7.629 1.00 0.00 O ATOM 135 NE2 GLN A 12 5.424 5.083 -8.050 1.00 0.00 N ATOM 0 H GLN A 12 8.653 8.423 -4.102 1.00 0.00 H new ATOM 0 HA GLN A 12 6.096 7.408 -5.101 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.030 7.791 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.981 6.645 -5.702 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.172 5.498 -7.639 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.296 4.866 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.779 4.131 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.533 5.255 -8.517 1.00 0.00 H new ATOM 144 N THR A 13 8.223 5.561 -3.352 1.00 0.00 N ATOM 145 CA THR A 13 8.315 4.400 -2.477 1.00 0.00 C ATOM 146 C THR A 13 9.246 4.669 -1.301 1.00 0.00 C ATOM 147 O THR A 13 9.798 5.763 -1.171 1.00 0.00 O ATOM 148 CB THR A 13 8.816 3.160 -3.241 1.00 0.00 C ATOM 149 OG1 THR A 13 9.978 3.493 -4.008 1.00 0.00 O ATOM 150 CG2 THR A 13 7.734 2.617 -4.162 1.00 0.00 C ATOM 0 H THR A 13 9.109 6.040 -3.511 1.00 0.00 H new ATOM 0 HA THR A 13 7.310 4.206 -2.103 1.00 0.00 H new ATOM 0 HB THR A 13 9.070 2.391 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.291 2.699 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.112 1.742 -4.691 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.861 2.336 -3.572 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.453 3.383 -4.884 1.00 0.00 H new ATOM 158 N LEU A 14 9.418 3.667 -0.447 1.00 0.00 N ATOM 159 CA LEU A 14 10.285 3.796 0.720 1.00 0.00 C ATOM 160 C LEU A 14 9.840 4.957 1.603 1.00 0.00 C ATOM 161 O LEU A 14 10.656 5.585 2.279 1.00 0.00 O ATOM 162 CB LEU A 14 11.736 4.000 0.281 1.00 0.00 C ATOM 163 CG LEU A 14 12.217 3.124 -0.877 1.00 0.00 C ATOM 164 CD1 LEU A 14 13.407 3.766 -1.573 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.576 1.732 -0.379 1.00 0.00 C ATOM 0 H LEU A 14 8.969 2.756 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 14 10.213 2.876 1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.865 5.045 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.383 3.820 1.140 1.00 0.00 H new ATOM 0 HG LEU A 14 11.406 3.032 -1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.736 3.129 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.117 4.741 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.223 3.889 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.916 1.123 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 14 13.371 1.805 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.699 1.270 0.073 1.00 0.00 H new ATOM 177 N LYS A 15 8.541 5.237 1.594 1.00 0.00 N ATOM 178 CA LYS A 15 7.986 6.320 2.396 1.00 0.00 C ATOM 179 C LYS A 15 6.939 5.793 3.372 1.00 0.00 C ATOM 180 O LYS A 15 6.875 6.226 4.523 1.00 0.00 O ATOM 181 CB LYS A 15 7.364 7.386 1.491 1.00 0.00 C ATOM 182 CG LYS A 15 8.376 8.112 0.622 1.00 0.00 C ATOM 183 CD LYS A 15 9.163 9.138 1.421 1.00 0.00 C ATOM 184 CE LYS A 15 10.539 9.376 0.819 1.00 0.00 C ATOM 185 NZ LYS A 15 10.503 10.409 -0.254 1.00 0.00 N ATOM 0 H LYS A 15 7.853 4.728 1.039 1.00 0.00 H new ATOM 0 HA LYS A 15 8.799 6.767 2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.618 6.916 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.840 8.115 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.062 7.390 0.180 1.00 0.00 H new ATOM 0 HG3 LYS A 15 7.861 8.608 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.611 10.077 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.269 8.796 2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.229 9.690 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.924 8.441 0.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.924 10.022 -1.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.517 10.683 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.043 11.244 0.050 1.00 0.00 H new ATOM 199 N LYS A 16 6.122 4.855 2.906 1.00 0.00 N ATOM 200 CA LYS A 16 5.080 4.265 3.738 1.00 0.00 C ATOM 201 C LYS A 16 5.665 3.226 4.689 1.00 0.00 C ATOM 202 O LYS A 16 6.461 2.379 4.283 1.00 0.00 O ATOM 203 CB LYS A 16 4.002 3.622 2.863 1.00 0.00 C ATOM 204 CG LYS A 16 2.737 3.261 3.622 1.00 0.00 C ATOM 205 CD LYS A 16 1.510 3.335 2.728 1.00 0.00 C ATOM 206 CE LYS A 16 1.510 2.225 1.688 1.00 0.00 C ATOM 207 NZ LYS A 16 1.098 0.918 2.272 1.00 0.00 N ATOM 0 H LYS A 16 6.161 4.487 1.956 1.00 0.00 H new ATOM 0 HA LYS A 16 4.630 5.061 4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.747 4.306 2.054 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.409 2.722 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.831 2.255 4.030 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.613 3.937 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.609 3.264 3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.481 4.303 2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.834 2.489 0.875 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.506 2.132 1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.598 0.358 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.941 0.399 2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.467 1.083 3.082 1.00 0.00 H new ATOM 221 N ASP A 17 5.265 3.295 5.954 1.00 0.00 N ATOM 222 CA ASP A 17 5.748 2.358 6.961 1.00 0.00 C ATOM 223 C ASP A 17 5.324 0.932 6.624 1.00 0.00 C ATOM 224 O ASP A 17 4.145 0.588 6.711 1.00 0.00 O ATOM 225 CB ASP A 17 5.222 2.747 8.344 1.00 0.00 C ATOM 226 CG ASP A 17 3.757 3.134 8.318 1.00 0.00 C ATOM 227 OD1 ASP A 17 2.919 2.267 7.990 1.00 0.00 O ATOM 228 OD2 ASP A 17 3.447 4.304 8.627 1.00 0.00 O ATOM 0 H ASP A 17 4.607 3.990 6.306 1.00 0.00 H new ATOM 0 HA ASP A 17 6.837 2.401 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.362 1.912 9.031 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.808 3.580 8.731 1.00 0.00 H new ATOM 233 N TRP A 18 6.291 0.108 6.239 1.00 0.00 N ATOM 234 CA TRP A 18 6.017 -1.281 5.889 1.00 0.00 C ATOM 235 C TRP A 18 6.204 -2.194 7.095 1.00 0.00 C ATOM 236 O TRP A 18 5.459 -3.158 7.278 1.00 0.00 O ATOM 237 CB TRP A 18 6.931 -1.730 4.747 1.00 0.00 C ATOM 238 CG TRP A 18 6.969 -0.764 3.602 1.00 0.00 C ATOM 239 CD1 TRP A 18 8.044 -0.037 3.178 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.883 -0.420 2.735 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.692 0.739 2.100 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.372 0.522 1.808 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.546 -0.817 2.650 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.569 1.071 0.812 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.750 -0.270 1.661 1.00 0.00 C ATOM 246 CH2 TRP A 18 4.263 0.665 0.752 1.00 0.00 C ATOM 0 H TRP A 18 7.272 0.377 6.161 1.00 0.00 H new ATOM 0 HA TRP A 18 4.979 -1.350 5.563 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.942 -1.866 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.595 -2.701 4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.027 -0.067 3.624 1.00 0.00 H new ATOM 0 HE1 TRP A 18 8.313 1.374 1.599 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.142 -1.538 3.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.963 1.792 0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.715 -0.568 1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.616 1.073 -0.010 1.00 0.00 H new ATOM 257 N TYR A 19 7.202 -1.886 7.916 1.00 0.00 N ATOM 258 CA TYR A 19 7.488 -2.682 9.104 1.00 0.00 C ATOM 259 C TYR A 19 6.296 -2.685 10.056 1.00 0.00 C ATOM 260 O TYR A 19 6.235 -3.485 10.990 1.00 0.00 O ATOM 261 CB TYR A 19 8.726 -2.140 9.820 1.00 0.00 C ATOM 262 CG TYR A 19 10.025 -2.488 9.130 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.402 -3.812 8.941 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.876 -1.492 8.667 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.589 -4.134 8.312 1.00 0.00 C ATOM 266 CE2 TYR A 19 12.065 -1.805 8.035 1.00 0.00 C ATOM 267 CZ TYR A 19 12.416 -3.127 7.860 1.00 0.00 C ATOM 268 OH TYR A 19 13.599 -3.444 7.232 1.00 0.00 O ATOM 0 H TYR A 19 7.826 -1.091 7.781 1.00 0.00 H new ATOM 0 HA TYR A 19 7.680 -3.707 8.787 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.645 -1.056 9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.748 -2.532 10.837 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.756 -4.603 9.292 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.604 -0.456 8.803 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.868 -5.168 8.175 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.715 -1.019 7.680 1.00 0.00 H new ATOM 0 HH TYR A 19 14.063 -2.620 6.974 1.00 0.00 H new ATOM 278 N SER A 20 5.349 -1.785 9.812 1.00 0.00 N ATOM 279 CA SER A 20 4.159 -1.681 10.649 1.00 0.00 C ATOM 280 C SER A 20 2.978 -2.402 10.006 1.00 0.00 C ATOM 281 O SER A 20 2.201 -3.071 10.688 1.00 0.00 O ATOM 282 CB SER A 20 3.805 -0.211 10.888 1.00 0.00 C ATOM 283 OG SER A 20 3.150 -0.041 12.133 1.00 0.00 O ATOM 0 H SER A 20 5.382 -1.117 9.042 1.00 0.00 H new ATOM 0 HA SER A 20 4.375 -2.156 11.606 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.712 0.393 10.865 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.163 0.147 10.084 1.00 0.00 H new ATOM 0 HG SER A 20 2.936 0.906 12.263 1.00 0.00 H new ATOM 289 N ILE A 21 2.851 -2.260 8.692 1.00 0.00 N ATOM 290 CA ILE A 21 1.766 -2.898 7.956 1.00 0.00 C ATOM 291 C ILE A 21 1.846 -4.417 8.067 1.00 0.00 C ATOM 292 O ILE A 21 0.824 -5.099 8.150 1.00 0.00 O ATOM 293 CB ILE A 21 1.785 -2.501 6.468 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.639 -0.985 6.321 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.676 -3.220 5.714 1.00 0.00 C ATOM 296 CD1 ILE A 21 2.042 -0.469 4.957 1.00 0.00 C ATOM 0 H ILE A 21 3.486 -1.709 8.114 1.00 0.00 H new ATOM 0 HA ILE A 21 0.834 -2.552 8.404 1.00 0.00 H new ATOM 0 HB ILE A 21 2.742 -2.799 6.040 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.603 -0.707 6.514 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.247 -0.494 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.702 -2.929 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.820 -4.297 5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.289 -2.949 6.141 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.913 0.613 4.925 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.087 -0.716 4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.417 -0.932 4.194 1.00 0.00 H new ATOM 308 N LEU A 22 3.067 -4.940 8.069 1.00 0.00 N ATOM 309 CA LEU A 22 3.282 -6.380 8.171 1.00 0.00 C ATOM 310 C LEU A 22 3.334 -6.820 9.631 1.00 0.00 C ATOM 311 O LEU A 22 3.150 -7.996 9.942 1.00 0.00 O ATOM 312 CB LEU A 22 4.578 -6.774 7.461 1.00 0.00 C ATOM 313 CG LEU A 22 4.628 -6.505 5.957 1.00 0.00 C ATOM 314 CD1 LEU A 22 6.044 -6.682 5.429 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.664 -7.422 5.219 1.00 0.00 C ATOM 0 H LEU A 22 3.923 -4.389 8.001 1.00 0.00 H new ATOM 0 HA LEU A 22 2.444 -6.883 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.404 -6.241 7.933 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.750 -7.838 7.625 1.00 0.00 H new ATOM 0 HG LEU A 22 4.323 -5.473 5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.060 -6.486 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.711 -5.984 5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.377 -7.703 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.713 -7.217 4.150 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.938 -8.461 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.649 -7.246 5.576 1.00 0.00 H new ATOM 327 N GLY A 23 3.584 -5.866 10.523 1.00 0.00 N ATOM 328 CA GLY A 23 3.654 -6.175 11.939 1.00 0.00 C ATOM 329 C GLY A 23 5.011 -6.710 12.350 1.00 0.00 C ATOM 330 O GLY A 23 5.108 -7.571 13.224 1.00 0.00 O ATOM 0 H GLY A 23 3.739 -4.885 10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.432 -5.277 12.515 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.888 -6.910 12.186 1.00 0.00 H new ATOM 334 N ALA A 24 6.063 -6.201 11.717 1.00 0.00 N ATOM 335 CA ALA A 24 7.421 -6.632 12.021 1.00 0.00 C ATOM 336 C ALA A 24 8.259 -5.474 12.552 1.00 0.00 C ATOM 337 O ALA A 24 7.757 -4.365 12.735 1.00 0.00 O ATOM 338 CB ALA A 24 8.073 -7.236 10.786 1.00 0.00 C ATOM 0 H ALA A 24 6.000 -5.489 10.990 1.00 0.00 H new ATOM 0 HA ALA A 24 7.368 -7.394 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.087 -7.553 11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.493 -8.097 10.453 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.106 -6.491 9.991 1.00 0.00 H new ATOM 344 N ASP A 25 9.538 -5.739 12.797 1.00 0.00 N ATOM 345 CA ASP A 25 10.446 -4.718 13.307 1.00 0.00 C ATOM 346 C ASP A 25 11.458 -4.311 12.241 1.00 0.00 C ATOM 347 O ASP A 25 11.801 -5.085 11.347 1.00 0.00 O ATOM 348 CB ASP A 25 11.174 -5.228 14.551 1.00 0.00 C ATOM 349 CG ASP A 25 10.335 -5.096 15.807 1.00 0.00 C ATOM 350 OD1 ASP A 25 10.392 -4.026 16.450 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.621 -6.062 16.147 1.00 0.00 O ATOM 0 H ASP A 25 9.969 -6.652 12.651 1.00 0.00 H new ATOM 0 HA ASP A 25 9.855 -3.842 13.575 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.445 -6.274 14.407 1.00 0.00 H new ATOM 0 HB3 ASP A 25 12.103 -4.673 14.678 1.00 0.00 H new ATOM 356 N PRO A 26 11.949 -3.066 12.335 1.00 0.00 N ATOM 357 CA PRO A 26 12.929 -2.527 11.387 1.00 0.00 C ATOM 358 C PRO A 26 14.298 -3.183 11.533 1.00 0.00 C ATOM 359 O PRO A 26 15.236 -2.852 10.808 1.00 0.00 O ATOM 360 CB PRO A 26 13.004 -1.044 11.758 1.00 0.00 C ATOM 361 CG PRO A 26 12.597 -0.991 13.190 1.00 0.00 C ATOM 362 CD PRO A 26 11.585 -2.088 13.374 1.00 0.00 C ATOM 0 HA PRO A 26 12.637 -2.707 10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 26 14.011 -0.651 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.339 -0.446 11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.455 -1.138 13.845 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.169 -0.020 13.438 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.641 -2.523 14.372 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.567 -1.722 13.242 1.00 0.00 H new ATOM 370 N SER A 27 14.405 -4.115 12.475 1.00 0.00 N ATOM 371 CA SER A 27 15.661 -4.815 12.718 1.00 0.00 C ATOM 372 C SER A 27 15.478 -6.323 12.579 1.00 0.00 C ATOM 373 O SER A 27 16.260 -7.106 13.117 1.00 0.00 O ATOM 374 CB SER A 27 16.194 -4.481 14.112 1.00 0.00 C ATOM 375 OG SER A 27 17.004 -3.319 14.084 1.00 0.00 O ATOM 0 H SER A 27 13.637 -4.403 13.082 1.00 0.00 H new ATOM 0 HA SER A 27 16.383 -4.484 11.972 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.360 -4.330 14.797 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.772 -5.322 14.495 1.00 0.00 H new ATOM 0 HG SER A 27 17.331 -3.126 14.988 1.00 0.00 H new ATOM 381 N ALA A 28 14.438 -6.722 11.854 1.00 0.00 N ATOM 382 CA ALA A 28 14.153 -8.136 11.642 1.00 0.00 C ATOM 383 C ALA A 28 14.730 -8.620 10.316 1.00 0.00 C ATOM 384 O ALA A 28 15.039 -7.820 9.434 1.00 0.00 O ATOM 385 CB ALA A 28 12.652 -8.384 11.688 1.00 0.00 C ATOM 0 H ALA A 28 13.779 -6.086 11.404 1.00 0.00 H new ATOM 0 HA ALA A 28 14.629 -8.701 12.443 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.453 -9.444 11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.263 -8.085 12.661 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.163 -7.801 10.907 1.00 0.00 H new ATOM 391 N ASN A 29 14.874 -9.935 10.183 1.00 0.00 N ATOM 392 CA ASN A 29 15.416 -10.525 8.964 1.00 0.00 C ATOM 393 C ASN A 29 14.299 -11.069 8.080 1.00 0.00 C ATOM 394 O ASN A 29 13.198 -11.347 8.554 1.00 0.00 O ATOM 395 CB ASN A 29 16.400 -11.645 9.309 1.00 0.00 C ATOM 396 CG ASN A 29 17.685 -11.118 9.918 1.00 0.00 C ATOM 397 OD1 ASN A 29 17.674 -10.507 10.986 1.00 0.00 O ATOM 398 ND2 ASN A 29 18.801 -11.354 9.238 1.00 0.00 N ATOM 0 H ASN A 29 14.623 -10.612 10.904 1.00 0.00 H new ATOM 0 HA ASN A 29 15.942 -9.744 8.415 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.928 -12.338 10.006 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.634 -12.210 8.407 1.00 0.00 H new ATOM 0 HD21 ASN A 29 19.697 -11.024 9.598 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.762 -11.865 8.356 1.00 0.00 H new ATOM 405 N MET A 30 14.591 -11.218 6.792 1.00 0.00 N ATOM 406 CA MET A 30 13.611 -11.731 5.841 1.00 0.00 C ATOM 407 C MET A 30 12.791 -12.858 6.460 1.00 0.00 C ATOM 408 O MET A 30 11.583 -12.723 6.658 1.00 0.00 O ATOM 409 CB MET A 30 14.310 -12.229 4.575 1.00 0.00 C ATOM 410 CG MET A 30 15.082 -11.145 3.840 1.00 0.00 C ATOM 411 SD MET A 30 14.132 -9.625 3.646 1.00 0.00 S ATOM 412 CE MET A 30 13.705 -9.712 1.909 1.00 0.00 C ATOM 0 H MET A 30 15.497 -10.991 6.383 1.00 0.00 H new ATOM 0 HA MET A 30 12.936 -10.917 5.578 1.00 0.00 H new ATOM 0 HB2 MET A 30 14.995 -13.034 4.841 1.00 0.00 H new ATOM 0 HB3 MET A 30 13.565 -12.653 3.902 1.00 0.00 H new ATOM 0 HG2 MET A 30 16.001 -10.927 4.384 1.00 0.00 H new ATOM 0 HG3 MET A 30 15.373 -11.515 2.857 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.508 -8.708 1.532 1.00 0.00 H new ATOM 0 HE2 MET A 30 14.532 -10.153 1.353 1.00 0.00 H new ATOM 0 HE3 MET A 30 12.814 -10.328 1.784 1.00 0.00 H new ATOM 422 N SER A 31 13.454 -13.970 6.763 1.00 0.00 N ATOM 423 CA SER A 31 12.785 -15.122 7.356 1.00 0.00 C ATOM 424 C SER A 31 11.676 -14.677 8.305 1.00 0.00 C ATOM 425 O SER A 31 10.590 -15.256 8.322 1.00 0.00 O ATOM 426 CB SER A 31 13.794 -15.994 8.105 1.00 0.00 C ATOM 427 OG SER A 31 13.159 -17.114 8.698 1.00 0.00 O ATOM 0 H SER A 31 14.454 -14.097 6.607 1.00 0.00 H new ATOM 0 HA SER A 31 12.338 -15.706 6.551 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.568 -16.333 7.417 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.289 -15.403 8.875 1.00 0.00 H new ATOM 0 HG SER A 31 13.825 -17.656 9.169 1.00 0.00 H new ATOM 433 N ASP A 32 11.959 -13.646 9.093 1.00 0.00 N ATOM 434 CA ASP A 32 10.987 -13.121 10.045 1.00 0.00 C ATOM 435 C ASP A 32 9.892 -12.338 9.328 1.00 0.00 C ATOM 436 O ASP A 32 8.706 -12.639 9.466 1.00 0.00 O ATOM 437 CB ASP A 32 11.680 -12.228 11.075 1.00 0.00 C ATOM 438 CG ASP A 32 12.167 -13.005 12.282 1.00 0.00 C ATOM 439 OD1 ASP A 32 13.307 -13.514 12.240 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.408 -13.104 13.269 1.00 0.00 O ATOM 0 H ASP A 32 12.854 -13.157 9.091 1.00 0.00 H new ATOM 0 HA ASP A 32 10.527 -13.965 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.525 -11.725 10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.989 -11.451 11.402 1.00 0.00 H new ATOM 445 N LEU A 33 10.298 -11.331 8.562 1.00 0.00 N ATOM 446 CA LEU A 33 9.352 -10.502 7.823 1.00 0.00 C ATOM 447 C LEU A 33 8.394 -11.365 7.008 1.00 0.00 C ATOM 448 O LEU A 33 7.175 -11.266 7.153 1.00 0.00 O ATOM 449 CB LEU A 33 10.100 -9.539 6.900 1.00 0.00 C ATOM 450 CG LEU A 33 10.953 -8.474 7.590 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.082 -8.021 6.678 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.094 -7.290 8.008 1.00 0.00 C ATOM 0 H LEU A 33 11.276 -11.069 8.437 1.00 0.00 H new ATOM 0 HA LEU A 33 8.771 -9.927 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.745 -10.124 6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.371 -9.036 6.265 1.00 0.00 H new ATOM 0 HG LEU A 33 11.392 -8.912 8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.678 -7.263 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.714 -8.874 6.430 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.664 -7.601 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.718 -6.542 8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.626 -6.851 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.322 -7.627 8.700 1.00 0.00 H new ATOM 464 N LYS A 34 8.952 -12.213 6.151 1.00 0.00 N ATOM 465 CA LYS A 34 8.149 -13.096 5.314 1.00 0.00 C ATOM 466 C LYS A 34 7.054 -13.774 6.132 1.00 0.00 C ATOM 467 O LYS A 34 5.876 -13.705 5.785 1.00 0.00 O ATOM 468 CB LYS A 34 9.037 -14.154 4.655 1.00 0.00 C ATOM 469 CG LYS A 34 8.274 -15.117 3.761 1.00 0.00 C ATOM 470 CD LYS A 34 9.210 -16.083 3.055 1.00 0.00 C ATOM 471 CE LYS A 34 9.754 -15.491 1.764 1.00 0.00 C ATOM 472 NZ LYS A 34 10.611 -16.460 1.027 1.00 0.00 N ATOM 0 H LYS A 34 9.959 -12.307 6.018 1.00 0.00 H new ATOM 0 HA LYS A 34 7.678 -12.492 4.539 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.806 -13.655 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.550 -14.721 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.555 -15.677 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.705 -14.554 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.038 -16.338 3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.680 -17.010 2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.924 -15.183 1.128 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.331 -14.595 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.962 -16.018 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.417 -16.735 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.053 -17.305 0.788 1.00 0.00 H new ATOM 486 N GLN A 35 7.453 -14.426 7.220 1.00 0.00 N ATOM 487 CA GLN A 35 6.504 -15.114 8.087 1.00 0.00 C ATOM 488 C GLN A 35 5.285 -14.241 8.363 1.00 0.00 C ATOM 489 O GLN A 35 4.147 -14.707 8.305 1.00 0.00 O ATOM 490 CB GLN A 35 7.176 -15.504 9.405 1.00 0.00 C ATOM 491 CG GLN A 35 8.063 -16.734 9.295 1.00 0.00 C ATOM 492 CD GLN A 35 7.274 -18.028 9.338 1.00 0.00 C ATOM 493 OE1 GLN A 35 6.123 -18.081 8.903 1.00 0.00 O ATOM 494 NE2 GLN A 35 7.890 -19.080 9.863 1.00 0.00 N ATOM 0 H GLN A 35 8.425 -14.492 7.521 1.00 0.00 H new ATOM 0 HA GLN A 35 6.172 -16.017 7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.775 -14.665 9.760 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.407 -15.687 10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 35 8.628 -16.688 8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.789 -16.728 10.108 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.844 -18.991 10.211 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.409 -19.978 9.918 1.00 0.00 H new ATOM 503 N LYS A 36 5.530 -12.970 8.663 1.00 0.00 N ATOM 504 CA LYS A 36 4.453 -12.029 8.948 1.00 0.00 C ATOM 505 C LYS A 36 3.646 -11.729 7.688 1.00 0.00 C ATOM 506 O LYS A 36 2.425 -11.573 7.744 1.00 0.00 O ATOM 507 CB LYS A 36 5.021 -10.730 9.523 1.00 0.00 C ATOM 508 CG LYS A 36 5.243 -10.776 11.025 1.00 0.00 C ATOM 509 CD LYS A 36 6.609 -11.347 11.369 1.00 0.00 C ATOM 510 CE LYS A 36 7.113 -10.818 12.703 1.00 0.00 C ATOM 511 NZ LYS A 36 7.993 -11.802 13.393 1.00 0.00 N ATOM 0 H LYS A 36 6.466 -12.568 8.715 1.00 0.00 H new ATOM 0 HA LYS A 36 3.791 -12.485 9.684 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.968 -10.508 9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.341 -9.911 9.290 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.153 -9.771 11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.466 -11.383 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.551 -12.435 11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.320 -11.092 10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.662 -9.890 12.542 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.264 -10.579 13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.316 -11.404 14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.462 -12.679 13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.817 -12.011 12.793 1.00 0.00 H new ATOM 525 N TYR A 37 4.334 -11.652 6.555 1.00 0.00 N ATOM 526 CA TYR A 37 3.680 -11.370 5.282 1.00 0.00 C ATOM 527 C TYR A 37 2.726 -12.496 4.899 1.00 0.00 C ATOM 528 O TYR A 37 1.542 -12.265 4.655 1.00 0.00 O ATOM 529 CB TYR A 37 4.724 -11.175 4.181 1.00 0.00 C ATOM 530 CG TYR A 37 4.141 -11.177 2.786 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.509 -10.051 2.275 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.222 -12.306 1.980 1.00 0.00 C ATOM 533 CE1 TYR A 37 2.974 -10.049 1.001 1.00 0.00 C ATOM 534 CE2 TYR A 37 3.691 -12.312 0.705 1.00 0.00 C ATOM 535 CZ TYR A 37 3.068 -11.181 0.220 1.00 0.00 C ATOM 536 OH TYR A 37 2.537 -11.184 -1.050 1.00 0.00 O ATOM 0 H TYR A 37 5.344 -11.781 6.491 1.00 0.00 H new ATOM 0 HA TYR A 37 3.103 -10.452 5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.243 -10.231 4.347 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.470 -11.966 4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.434 -9.162 2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.708 -13.194 2.357 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.485 -9.165 0.619 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.763 -13.198 0.091 1.00 0.00 H new ATOM 0 HH TYR A 37 2.689 -12.058 -1.466 1.00 0.00 H new ATOM 546 N GLN A 38 3.250 -13.717 4.848 1.00 0.00 N ATOM 547 CA GLN A 38 2.445 -14.880 4.494 1.00 0.00 C ATOM 548 C GLN A 38 1.181 -14.946 5.345 1.00 0.00 C ATOM 549 O GLN A 38 0.070 -15.023 4.820 1.00 0.00 O ATOM 550 CB GLN A 38 3.260 -16.163 4.670 1.00 0.00 C ATOM 551 CG GLN A 38 4.296 -16.379 3.579 1.00 0.00 C ATOM 552 CD GLN A 38 4.583 -17.847 3.330 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.744 -18.709 3.593 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.773 -18.139 2.819 1.00 0.00 N ATOM 0 H GLN A 38 4.228 -13.926 5.047 1.00 0.00 H new ATOM 0 HA GLN A 38 2.153 -14.784 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.763 -16.135 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.581 -17.015 4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.946 -15.919 2.655 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.221 -15.874 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.438 -17.393 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.022 -19.110 2.629 1.00 0.00 H new ATOM 563 N LYS A 39 1.357 -14.915 6.661 1.00 0.00 N ATOM 564 CA LYS A 39 0.231 -14.970 7.586 1.00 0.00 C ATOM 565 C LYS A 39 -0.731 -13.813 7.341 1.00 0.00 C ATOM 566 O LYS A 39 -1.890 -13.857 7.758 1.00 0.00 O ATOM 567 CB LYS A 39 0.730 -14.935 9.032 1.00 0.00 C ATOM 568 CG LYS A 39 1.111 -13.545 9.511 1.00 0.00 C ATOM 569 CD LYS A 39 1.212 -13.484 11.026 1.00 0.00 C ATOM 570 CE LYS A 39 -0.148 -13.256 11.667 1.00 0.00 C ATOM 571 NZ LYS A 39 -0.033 -12.965 13.123 1.00 0.00 N ATOM 0 H LYS A 39 2.270 -14.852 7.112 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.302 -15.905 7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.046 -15.335 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.595 -15.592 9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.065 -13.256 9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.369 -12.825 9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.641 -14.413 11.401 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.890 -12.681 11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.650 -12.426 11.169 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.771 -14.139 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.981 -12.816 13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.423 -13.768 13.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.540 -12.108 13.262 1.00 0.00 H new ATOM 585 N LEU A 40 -0.246 -12.780 6.662 1.00 0.00 N ATOM 586 CA LEU A 40 -1.064 -11.610 6.360 1.00 0.00 C ATOM 587 C LEU A 40 -1.484 -11.604 4.893 1.00 0.00 C ATOM 588 O LEU A 40 -1.834 -10.560 4.342 1.00 0.00 O ATOM 589 CB LEU A 40 -0.297 -10.328 6.688 1.00 0.00 C ATOM 590 CG LEU A 40 -0.017 -10.075 8.169 1.00 0.00 C ATOM 591 CD1 LEU A 40 0.884 -8.861 8.342 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.319 -9.888 8.935 1.00 0.00 C ATOM 0 H LEU A 40 0.710 -12.728 6.310 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.962 -11.656 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.655 -10.352 6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.860 -9.481 6.295 1.00 0.00 H new ATOM 0 HG LEU A 40 0.498 -10.946 8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.073 -8.696 9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.830 -9.033 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.396 -7.983 7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.099 -9.709 9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.862 -9.035 8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.930 -10.786 8.839 1.00 0.00 H new ATOM 604 N ILE A 41 -1.449 -12.776 4.268 1.00 0.00 N ATOM 605 CA ILE A 41 -1.829 -12.905 2.867 1.00 0.00 C ATOM 606 C ILE A 41 -3.099 -13.736 2.716 1.00 0.00 C ATOM 607 O ILE A 41 -3.804 -13.637 1.711 1.00 0.00 O ATOM 608 CB ILE A 41 -0.705 -13.551 2.036 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.393 -12.527 1.740 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.265 -14.124 0.743 1.00 0.00 C ATOM 611 CD1 ILE A 41 -0.018 -11.474 0.734 1.00 0.00 C ATOM 0 H ILE A 41 -1.161 -13.649 4.710 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.011 -11.897 2.495 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.269 -14.367 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.682 -12.037 2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.275 -13.049 1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.459 -14.577 0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.015 -14.880 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.724 -13.326 0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.809 -10.782 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.279 -11.954 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.881 -10.926 1.113 1.00 0.00 H new ATOM 623 N LEU A 42 -3.386 -14.555 3.723 1.00 0.00 N ATOM 624 CA LEU A 42 -4.573 -15.403 3.704 1.00 0.00 C ATOM 625 C LEU A 42 -5.667 -14.829 4.600 1.00 0.00 C ATOM 626 O LEU A 42 -6.789 -15.335 4.629 1.00 0.00 O ATOM 627 CB LEU A 42 -4.219 -16.820 4.157 1.00 0.00 C ATOM 628 CG LEU A 42 -3.038 -16.941 5.121 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.406 -16.389 6.489 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.586 -18.390 5.232 1.00 0.00 C ATOM 0 H LEU A 42 -2.813 -14.649 4.562 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.948 -15.438 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.097 -17.258 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.003 -17.419 3.273 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.210 -16.352 4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.553 -16.484 7.161 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.679 -15.338 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.250 -16.949 6.892 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.745 -18.457 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.409 -19.001 5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.280 -18.752 4.250 1.00 0.00 H new ATOM 642 N LEU A 43 -5.332 -13.770 5.328 1.00 0.00 N ATOM 643 CA LEU A 43 -6.286 -13.125 6.223 1.00 0.00 C ATOM 644 C LEU A 43 -7.135 -12.104 5.471 1.00 0.00 C ATOM 645 O LEU A 43 -8.239 -11.766 5.897 1.00 0.00 O ATOM 646 CB LEU A 43 -5.551 -12.442 7.378 1.00 0.00 C ATOM 647 CG LEU A 43 -5.110 -13.352 8.524 1.00 0.00 C ATOM 648 CD1 LEU A 43 -4.266 -12.579 9.525 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.319 -13.972 9.209 1.00 0.00 C ATOM 0 H LEU A 43 -4.407 -13.340 5.316 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.946 -13.894 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.669 -11.943 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.198 -11.666 7.786 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.501 -14.155 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.961 -13.243 10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.381 -12.184 9.026 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.850 -11.754 9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.986 -14.617 10.022 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.955 -13.182 9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.884 -14.562 8.487 1.00 0.00 H new ATOM 661 N TYR A 44 -6.612 -11.618 4.351 1.00 0.00 N ATOM 662 CA TYR A 44 -7.321 -10.636 3.539 1.00 0.00 C ATOM 663 C TYR A 44 -7.448 -11.112 2.095 1.00 0.00 C ATOM 664 O TYR A 44 -7.893 -10.369 1.221 1.00 0.00 O ATOM 665 CB TYR A 44 -6.596 -9.290 3.582 1.00 0.00 C ATOM 666 CG TYR A 44 -6.271 -8.821 4.982 1.00 0.00 C ATOM 667 CD1 TYR A 44 -7.176 -8.055 5.707 1.00 0.00 C ATOM 668 CD2 TYR A 44 -5.059 -9.144 5.580 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.883 -7.623 6.986 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.759 -8.718 6.860 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.674 -7.958 7.558 1.00 0.00 C ATOM 672 OH TYR A 44 -5.377 -7.531 8.833 1.00 0.00 O ATOM 0 H TYR A 44 -5.699 -11.888 3.984 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.323 -10.516 3.952 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.671 -9.367 3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.214 -8.538 3.090 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.125 -7.793 5.263 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.340 -9.738 5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.597 -7.026 7.535 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.813 -8.979 7.311 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.487 -7.854 9.087 1.00 0.00 H new ATOM 682 N HIS A 45 -7.054 -12.359 1.853 1.00 0.00 N ATOM 683 CA HIS A 45 -7.125 -12.937 0.516 1.00 0.00 C ATOM 684 C HIS A 45 -8.553 -12.892 -0.020 1.00 0.00 C ATOM 685 O HIS A 45 -9.520 -13.139 0.700 1.00 0.00 O ATOM 686 CB HIS A 45 -6.619 -14.380 0.534 1.00 0.00 C ATOM 687 CG HIS A 45 -6.179 -14.876 -0.809 1.00 0.00 C ATOM 688 ND1 HIS A 45 -7.032 -15.489 -1.702 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.966 -14.846 -1.410 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.364 -15.816 -2.793 1.00 0.00 C ATOM 691 NE2 HIS A 45 -5.108 -15.437 -2.642 1.00 0.00 N ATOM 0 H HIS A 45 -6.683 -12.988 2.565 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.490 -12.346 -0.143 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.785 -14.455 1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.409 -15.029 0.911 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.057 -14.434 -0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.775 -16.310 -3.661 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.364 -15.563 -3.329 1.00 0.00 H new ATOM 700 N PRO A 46 -8.689 -12.570 -1.315 1.00 0.00 N ATOM 701 CA PRO A 46 -9.995 -12.485 -1.976 1.00 0.00 C ATOM 702 C PRO A 46 -10.648 -13.852 -2.147 1.00 0.00 C ATOM 703 O PRO A 46 -11.844 -14.015 -1.902 1.00 0.00 O ATOM 704 CB PRO A 46 -9.663 -11.877 -3.341 1.00 0.00 C ATOM 705 CG PRO A 46 -8.240 -12.247 -3.584 1.00 0.00 C ATOM 706 CD PRO A 46 -7.580 -12.263 -2.233 1.00 0.00 C ATOM 0 HA PRO A 46 -10.708 -11.900 -1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.314 -12.274 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.795 -10.795 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.167 -13.222 -4.066 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.757 -11.528 -4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.794 -13.016 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.119 -11.303 -2.000 1.00 0.00 H new ATOM 714 N ASP A 47 -9.856 -14.833 -2.567 1.00 0.00 N ATOM 715 CA ASP A 47 -10.358 -16.187 -2.769 1.00 0.00 C ATOM 716 C ASP A 47 -10.808 -16.802 -1.448 1.00 0.00 C ATOM 717 O ASP A 47 -11.693 -17.658 -1.418 1.00 0.00 O ATOM 718 CB ASP A 47 -9.280 -17.062 -3.412 1.00 0.00 C ATOM 719 CG ASP A 47 -9.862 -18.272 -4.116 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.805 -18.097 -4.915 1.00 0.00 O ATOM 721 OD2 ASP A 47 -9.373 -19.395 -3.868 1.00 0.00 O ATOM 0 H ASP A 47 -8.864 -14.716 -2.774 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.218 -16.134 -3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.712 -16.467 -4.127 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.580 -17.393 -2.645 1.00 0.00 H new ATOM 726 N LYS A 48 -10.193 -16.361 -0.355 1.00 0.00 N ATOM 727 CA LYS A 48 -10.530 -16.867 0.970 1.00 0.00 C ATOM 728 C LYS A 48 -11.569 -15.977 1.644 1.00 0.00 C ATOM 729 O LYS A 48 -11.421 -15.608 2.809 1.00 0.00 O ATOM 730 CB LYS A 48 -9.274 -16.952 1.840 1.00 0.00 C ATOM 731 CG LYS A 48 -8.205 -17.872 1.277 1.00 0.00 C ATOM 732 CD LYS A 48 -7.347 -18.470 2.379 1.00 0.00 C ATOM 733 CE LYS A 48 -5.976 -18.875 1.860 1.00 0.00 C ATOM 734 NZ LYS A 48 -5.976 -20.262 1.316 1.00 0.00 N ATOM 0 H LYS A 48 -9.458 -15.654 -0.361 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.953 -17.865 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.856 -15.952 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.554 -17.300 2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.676 -18.673 0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.573 -17.316 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.233 -17.746 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.849 -19.341 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.662 -18.180 1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.246 -18.801 2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.024 -20.500 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.251 -20.929 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.654 -20.327 0.530 1.00 0.00 H new ATOM 748 N GLN A 49 -12.621 -15.638 0.905 1.00 0.00 N ATOM 749 CA GLN A 49 -13.684 -14.792 1.433 1.00 0.00 C ATOM 750 C GLN A 49 -14.988 -15.573 1.561 1.00 0.00 C ATOM 751 O GLN A 49 -15.049 -16.757 1.229 1.00 0.00 O ATOM 752 CB GLN A 49 -13.892 -13.574 0.531 1.00 0.00 C ATOM 753 CG GLN A 49 -12.693 -12.642 0.482 1.00 0.00 C ATOM 754 CD GLN A 49 -12.432 -11.957 1.809 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.130 -11.013 2.181 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.424 -12.430 2.532 1.00 0.00 N ATOM 0 H GLN A 49 -12.759 -15.936 -0.061 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.385 -14.453 2.425 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.118 -13.915 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.761 -13.017 0.881 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.809 -13.209 0.190 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.856 -11.887 -0.287 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.872 -13.214 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.202 -12.009 3.434 1.00 0.00 H new ATOM 765 N SER A 50 -16.029 -14.903 2.045 1.00 0.00 N ATOM 766 CA SER A 50 -17.331 -15.535 2.221 1.00 0.00 C ATOM 767 C SER A 50 -18.415 -14.762 1.477 1.00 0.00 C ATOM 768 O SER A 50 -18.482 -13.536 1.552 1.00 0.00 O ATOM 769 CB SER A 50 -17.681 -15.624 3.708 1.00 0.00 C ATOM 770 OG SER A 50 -17.104 -14.552 4.433 1.00 0.00 O ATOM 0 H SER A 50 -15.996 -13.922 2.322 1.00 0.00 H new ATOM 0 HA SER A 50 -17.278 -16.542 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 50 -18.764 -15.609 3.831 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.327 -16.572 4.112 1.00 0.00 H new ATOM 0 HG SER A 50 -17.672 -14.333 5.201 1.00 0.00 H new ATOM 776 N ALA A 51 -19.263 -15.490 0.757 1.00 0.00 N ATOM 777 CA ALA A 51 -20.346 -14.875 0.000 1.00 0.00 C ATOM 778 C ALA A 51 -21.330 -14.167 0.925 1.00 0.00 C ATOM 779 O ALA A 51 -22.146 -13.360 0.479 1.00 0.00 O ATOM 780 CB ALA A 51 -21.066 -15.921 -0.838 1.00 0.00 C ATOM 0 H ALA A 51 -19.220 -16.506 0.682 1.00 0.00 H new ATOM 0 HA ALA A 51 -19.912 -14.129 -0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -21.872 -15.447 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -20.362 -16.378 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.481 -16.688 -0.184 1.00 0.00 H new ATOM 786 N ASP A 52 -21.247 -14.474 2.215 1.00 0.00 N ATOM 787 CA ASP A 52 -22.130 -13.867 3.204 1.00 0.00 C ATOM 788 C ASP A 52 -21.469 -12.654 3.851 1.00 0.00 C ATOM 789 O ASP A 52 -21.708 -12.354 5.021 1.00 0.00 O ATOM 790 CB ASP A 52 -22.510 -14.889 4.276 1.00 0.00 C ATOM 791 CG ASP A 52 -23.740 -14.476 5.061 1.00 0.00 C ATOM 792 OD1 ASP A 52 -23.644 -13.513 5.851 1.00 0.00 O ATOM 793 OD2 ASP A 52 -24.798 -15.115 4.884 1.00 0.00 O ATOM 0 H ASP A 52 -20.577 -15.140 2.600 1.00 0.00 H new ATOM 0 HA ASP A 52 -23.034 -13.536 2.693 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.691 -15.855 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -21.673 -15.021 4.961 1.00 0.00 H new ATOM 798 N VAL A 53 -20.636 -11.960 3.082 1.00 0.00 N ATOM 799 CA VAL A 53 -19.940 -10.780 3.579 1.00 0.00 C ATOM 800 C VAL A 53 -20.508 -9.506 2.963 1.00 0.00 C ATOM 801 O VAL A 53 -20.857 -9.460 1.784 1.00 0.00 O ATOM 802 CB VAL A 53 -18.430 -10.851 3.282 1.00 0.00 C ATOM 803 CG1 VAL A 53 -17.799 -12.030 4.007 1.00 0.00 C ATOM 804 CG2 VAL A 53 -18.187 -10.944 1.784 1.00 0.00 C ATOM 0 H VAL A 53 -20.427 -12.195 2.112 1.00 0.00 H new ATOM 0 HA VAL A 53 -20.090 -10.757 4.658 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.961 -9.937 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -16.732 -12.065 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.943 -11.916 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -18.269 -12.956 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.115 -10.993 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -18.668 -11.841 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.604 -10.065 1.293 1.00 0.00 H new ATOM 814 N PRO A 54 -20.604 -8.446 3.779 1.00 0.00 N ATOM 815 CA PRO A 54 -21.128 -7.150 3.336 1.00 0.00 C ATOM 816 C PRO A 54 -20.186 -6.444 2.368 1.00 0.00 C ATOM 817 O PRO A 54 -19.144 -6.983 1.996 1.00 0.00 O ATOM 818 CB PRO A 54 -21.253 -6.354 4.637 1.00 0.00 C ATOM 819 CG PRO A 54 -20.254 -6.970 5.555 1.00 0.00 C ATOM 820 CD PRO A 54 -20.206 -8.429 5.197 1.00 0.00 C ATOM 0 HA PRO A 54 -22.067 -7.255 2.793 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.043 -5.297 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -22.261 -6.420 5.047 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.275 -6.506 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.545 -6.833 6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -19.209 -8.845 5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -20.887 -9.016 5.813 1.00 0.00 H new ATOM 828 N ALA A 55 -20.558 -5.234 1.963 1.00 0.00 N ATOM 829 CA ALA A 55 -19.744 -4.453 1.040 1.00 0.00 C ATOM 830 C ALA A 55 -18.562 -3.812 1.758 1.00 0.00 C ATOM 831 O ALA A 55 -17.486 -3.652 1.183 1.00 0.00 O ATOM 832 CB ALA A 55 -20.592 -3.389 0.360 1.00 0.00 C ATOM 0 H ALA A 55 -21.418 -4.773 2.260 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.350 -5.128 0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -19.971 -2.813 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.400 -3.867 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.014 -2.723 1.113 1.00 0.00 H new ATOM 838 N GLY A 56 -18.770 -3.444 3.019 1.00 0.00 N ATOM 839 CA GLY A 56 -17.712 -2.823 3.794 1.00 0.00 C ATOM 840 C GLY A 56 -16.507 -3.727 3.959 1.00 0.00 C ATOM 841 O GLY A 56 -15.379 -3.332 3.662 1.00 0.00 O ATOM 0 H GLY A 56 -19.652 -3.565 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -17.404 -1.898 3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.097 -2.553 4.777 1.00 0.00 H new ATOM 845 N THR A 57 -16.743 -4.945 4.436 1.00 0.00 N ATOM 846 CA THR A 57 -15.668 -5.907 4.643 1.00 0.00 C ATOM 847 C THR A 57 -14.827 -6.071 3.382 1.00 0.00 C ATOM 848 O THR A 57 -13.598 -6.012 3.432 1.00 0.00 O ATOM 849 CB THR A 57 -16.218 -7.284 5.062 1.00 0.00 C ATOM 850 OG1 THR A 57 -17.004 -7.156 6.252 1.00 0.00 O ATOM 851 CG2 THR A 57 -15.084 -8.270 5.301 1.00 0.00 C ATOM 0 H THR A 57 -17.670 -5.289 4.686 1.00 0.00 H new ATOM 0 HA THR A 57 -15.043 -5.514 5.445 1.00 0.00 H new ATOM 0 HB THR A 57 -16.843 -7.662 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 57 -17.351 -8.035 6.511 1.00 0.00 H new ATOM 0 HG21 THR A 57 -15.497 -9.235 5.596 1.00 0.00 H new ATOM 0 HG22 THR A 57 -14.505 -8.388 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.437 -7.895 6.094 1.00 0.00 H new ATOM 859 N MET A 58 -15.496 -6.277 2.253 1.00 0.00 N ATOM 860 CA MET A 58 -14.808 -6.447 0.978 1.00 0.00 C ATOM 861 C MET A 58 -13.857 -5.285 0.714 1.00 0.00 C ATOM 862 O MET A 58 -12.639 -5.461 0.691 1.00 0.00 O ATOM 863 CB MET A 58 -15.823 -6.560 -0.162 1.00 0.00 C ATOM 864 CG MET A 58 -16.259 -7.988 -0.448 1.00 0.00 C ATOM 865 SD MET A 58 -15.213 -8.802 -1.671 1.00 0.00 S ATOM 866 CE MET A 58 -13.950 -9.512 -0.618 1.00 0.00 C ATOM 0 H MET A 58 -16.513 -6.330 2.194 1.00 0.00 H new ATOM 0 HA MET A 58 -14.224 -7.366 1.028 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.701 -5.963 0.084 1.00 0.00 H new ATOM 0 HB3 MET A 58 -15.390 -6.133 -1.067 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.242 -8.562 0.479 1.00 0.00 H new ATOM 0 HG3 MET A 58 -17.290 -7.985 -0.802 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.398 -10.271 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.264 -8.729 -0.294 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.418 -9.968 0.254 1.00 0.00 H new ATOM 876 N GLU A 59 -14.420 -4.097 0.515 1.00 0.00 N ATOM 877 CA GLU A 59 -13.621 -2.907 0.251 1.00 0.00 C ATOM 878 C GLU A 59 -12.453 -2.809 1.229 1.00 0.00 C ATOM 879 O GLU A 59 -11.319 -2.544 0.832 1.00 0.00 O ATOM 880 CB GLU A 59 -14.488 -1.651 0.347 1.00 0.00 C ATOM 881 CG GLU A 59 -13.757 -0.375 -0.034 1.00 0.00 C ATOM 882 CD GLU A 59 -14.701 0.780 -0.306 1.00 0.00 C ATOM 883 OE1 GLU A 59 -15.134 0.932 -1.467 1.00 0.00 O ATOM 884 OE2 GLU A 59 -15.007 1.532 0.643 1.00 0.00 O ATOM 0 H GLU A 59 -15.427 -3.934 0.532 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.221 -2.986 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.357 -1.769 -0.301 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.862 -1.555 1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.073 -0.099 0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.150 -0.559 -0.920 1.00 0.00 H new ATOM 891 N GLU A 60 -12.742 -3.022 2.509 1.00 0.00 N ATOM 892 CA GLU A 60 -11.716 -2.956 3.544 1.00 0.00 C ATOM 893 C GLU A 60 -10.636 -4.008 3.308 1.00 0.00 C ATOM 894 O GLU A 60 -9.445 -3.733 3.455 1.00 0.00 O ATOM 895 CB GLU A 60 -12.342 -3.153 4.926 1.00 0.00 C ATOM 896 CG GLU A 60 -13.042 -1.915 5.460 1.00 0.00 C ATOM 897 CD GLU A 60 -12.075 -0.908 6.053 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.965 -0.755 5.502 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.430 -0.273 7.068 1.00 0.00 O ATOM 0 H GLU A 60 -13.676 -3.241 2.854 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.254 -1.970 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.059 -3.973 4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.564 -3.451 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.603 -1.443 4.653 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.765 -2.210 6.221 1.00 0.00 H new ATOM 906 N CYS A 61 -11.061 -5.212 2.941 1.00 0.00 N ATOM 907 CA CYS A 61 -10.131 -6.306 2.686 1.00 0.00 C ATOM 908 C CYS A 61 -9.072 -5.893 1.669 1.00 0.00 C ATOM 909 O CYS A 61 -7.877 -6.085 1.890 1.00 0.00 O ATOM 910 CB CYS A 61 -10.886 -7.537 2.182 1.00 0.00 C ATOM 911 SG CYS A 61 -10.110 -9.110 2.624 1.00 0.00 S ATOM 0 H CYS A 61 -12.043 -5.455 2.813 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.632 -6.553 3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.899 -7.518 2.583 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.972 -7.479 1.097 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.271 -9.457 1.693 1.00 0.00 H new ATOM 917 N MET A 62 -9.519 -5.325 0.554 1.00 0.00 N ATOM 918 CA MET A 62 -8.609 -4.885 -0.498 1.00 0.00 C ATOM 919 C MET A 62 -7.563 -3.923 0.056 1.00 0.00 C ATOM 920 O MET A 62 -6.362 -4.169 -0.054 1.00 0.00 O ATOM 921 CB MET A 62 -9.390 -4.212 -1.628 1.00 0.00 C ATOM 922 CG MET A 62 -8.643 -4.189 -2.952 1.00 0.00 C ATOM 923 SD MET A 62 -8.812 -5.731 -3.871 1.00 0.00 S ATOM 924 CE MET A 62 -7.636 -5.467 -5.195 1.00 0.00 C ATOM 0 H MET A 62 -10.505 -5.158 0.355 1.00 0.00 H new ATOM 0 HA MET A 62 -8.097 -5.763 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.338 -4.733 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.627 -3.189 -1.336 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.015 -3.365 -3.561 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.587 -3.995 -2.766 1.00 0.00 H new ATOM 0 HE1 MET A 62 -7.625 -6.337 -5.851 1.00 0.00 H new ATOM 0 HE2 MET A 62 -7.924 -4.585 -5.767 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.642 -5.318 -4.774 1.00 0.00 H new ATOM 934 N GLN A 63 -8.027 -2.829 0.651 1.00 0.00 N ATOM 935 CA GLN A 63 -7.130 -1.831 1.221 1.00 0.00 C ATOM 936 C GLN A 63 -5.973 -2.497 1.960 1.00 0.00 C ATOM 937 O GLN A 63 -4.824 -2.068 1.853 1.00 0.00 O ATOM 938 CB GLN A 63 -7.895 -0.910 2.172 1.00 0.00 C ATOM 939 CG GLN A 63 -8.644 0.209 1.465 1.00 0.00 C ATOM 940 CD GLN A 63 -7.735 1.066 0.606 1.00 0.00 C ATOM 941 OE1 GLN A 63 -7.095 1.996 1.096 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.675 0.757 -0.684 1.00 0.00 N ATOM 0 H GLN A 63 -9.018 -2.611 0.751 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.721 -1.238 0.403 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -8.605 -1.504 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.194 -0.474 2.884 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.428 -0.221 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.136 0.838 2.207 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.223 -0.023 -1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.081 1.299 -1.311 1.00 0.00 H new ATOM 951 N LYS A 64 -6.285 -3.548 2.711 1.00 0.00 N ATOM 952 CA LYS A 64 -5.273 -4.275 3.468 1.00 0.00 C ATOM 953 C LYS A 64 -4.400 -5.115 2.542 1.00 0.00 C ATOM 954 O LYS A 64 -3.184 -4.929 2.480 1.00 0.00 O ATOM 955 CB LYS A 64 -5.936 -5.173 4.515 1.00 0.00 C ATOM 956 CG LYS A 64 -6.622 -4.403 5.630 1.00 0.00 C ATOM 957 CD LYS A 64 -5.664 -4.102 6.770 1.00 0.00 C ATOM 958 CE LYS A 64 -6.400 -3.566 7.989 1.00 0.00 C ATOM 959 NZ LYS A 64 -5.468 -3.265 9.111 1.00 0.00 N ATOM 0 H LYS A 64 -7.231 -3.915 2.812 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.640 -3.546 3.973 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.669 -5.812 4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.182 -5.829 4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.024 -3.470 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.467 -4.980 6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.122 -5.008 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.923 -3.373 6.441 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.944 -2.662 7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.140 -4.296 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.008 -2.902 9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.967 -4.133 9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.778 -2.549 8.806 1.00 0.00 H new ATOM 973 N PHE A 65 -5.027 -6.039 1.822 1.00 0.00 N ATOM 974 CA PHE A 65 -4.307 -6.908 0.898 1.00 0.00 C ATOM 975 C PHE A 65 -3.299 -6.110 0.076 1.00 0.00 C ATOM 976 O PHE A 65 -2.170 -6.553 -0.141 1.00 0.00 O ATOM 977 CB PHE A 65 -5.288 -7.624 -0.032 1.00 0.00 C ATOM 978 CG PHE A 65 -4.639 -8.655 -0.910 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.315 -9.906 -0.410 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.351 -8.373 -2.236 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.717 -10.857 -1.215 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.754 -9.321 -3.046 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.436 -10.563 -2.535 1.00 0.00 C ATOM 0 H PHE A 65 -6.033 -6.206 1.860 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.765 -7.651 1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.061 -8.104 0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.786 -6.885 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.532 -10.141 0.621 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.596 -7.402 -2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.470 -11.828 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.537 -9.090 -4.078 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.968 -11.304 -3.166 1.00 0.00 H new ATOM 993 N ILE A 66 -3.715 -4.934 -0.380 1.00 0.00 N ATOM 994 CA ILE A 66 -2.849 -4.074 -1.178 1.00 0.00 C ATOM 995 C ILE A 66 -1.615 -3.651 -0.387 1.00 0.00 C ATOM 996 O ILE A 66 -0.485 -3.900 -0.804 1.00 0.00 O ATOM 997 CB ILE A 66 -3.594 -2.815 -1.658 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.566 -3.169 -2.785 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.602 -1.757 -2.119 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.571 -2.079 -3.082 1.00 0.00 C ATOM 0 H ILE A 66 -4.646 -4.554 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.539 -4.656 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.167 -2.410 -0.824 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.997 -3.384 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.100 -4.082 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.143 -0.873 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.946 -1.488 -1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.005 -2.152 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.227 -2.400 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.166 -1.879 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.046 -1.171 -3.379 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.842 -3.012 0.756 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.748 -2.556 1.605 1.00 0.00 C ATOM 1014 C GLU A 67 0.215 -3.699 1.913 1.00 0.00 C ATOM 1015 O GLU A 67 1.433 -3.519 1.898 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.295 -1.970 2.908 1.00 0.00 C ATOM 1017 CG GLU A 67 -2.124 -0.712 2.709 1.00 0.00 C ATOM 1018 CD GLU A 67 -3.171 -0.527 3.791 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.823 -0.653 4.983 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -4.340 -0.255 3.443 1.00 0.00 O ATOM 0 H GLU A 67 -2.773 -2.799 1.115 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.203 -1.781 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.906 -2.722 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.461 -1.744 3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.464 0.155 2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.615 -0.755 1.737 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.341 -4.873 2.193 1.00 0.00 N ATOM 1028 CA ILE A 68 0.468 -6.045 2.504 1.00 0.00 C ATOM 1029 C ILE A 68 1.317 -6.461 1.308 1.00 0.00 C ATOM 1030 O ILE A 68 2.477 -6.844 1.460 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.409 -7.236 2.935 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.331 -6.828 4.086 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.462 -8.416 3.339 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.640 -7.586 4.110 1.00 0.00 C ATOM 0 H ILE A 68 -1.347 -5.038 2.211 1.00 0.00 H new ATOM 0 HA ILE A 68 1.121 -5.766 3.331 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.027 -7.539 2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.811 -6.987 5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.540 -5.761 4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.172 -9.250 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.080 -8.718 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.103 -8.127 4.172 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.243 -7.245 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.181 -7.407 3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.441 -8.653 4.215 1.00 0.00 H new ATOM 1046 N ASP A 69 0.733 -6.380 0.118 1.00 0.00 N ATOM 1047 CA ASP A 69 1.437 -6.744 -1.106 1.00 0.00 C ATOM 1048 C ASP A 69 2.559 -5.755 -1.403 1.00 0.00 C ATOM 1049 O ASP A 69 3.470 -6.050 -2.176 1.00 0.00 O ATOM 1050 CB ASP A 69 0.462 -6.797 -2.284 1.00 0.00 C ATOM 1051 CG ASP A 69 0.955 -7.693 -3.403 1.00 0.00 C ATOM 1052 OD1 ASP A 69 0.728 -8.918 -3.325 1.00 0.00 O ATOM 1053 OD2 ASP A 69 1.567 -7.169 -4.357 1.00 0.00 O ATOM 0 H ASP A 69 -0.227 -6.065 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 69 1.876 -7.731 -0.963 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.506 -7.156 -1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.308 -5.789 -2.670 1.00 0.00 H new ATOM 1058 N GLN A 70 2.485 -4.581 -0.784 1.00 0.00 N ATOM 1059 CA GLN A 70 3.495 -3.548 -0.984 1.00 0.00 C ATOM 1060 C GLN A 70 4.602 -3.660 0.058 1.00 0.00 C ATOM 1061 O GLN A 70 5.786 -3.595 -0.271 1.00 0.00 O ATOM 1062 CB GLN A 70 2.855 -2.160 -0.917 1.00 0.00 C ATOM 1063 CG GLN A 70 2.073 -1.790 -2.168 1.00 0.00 C ATOM 1064 CD GLN A 70 1.085 -0.666 -1.927 1.00 0.00 C ATOM 1065 OE1 GLN A 70 0.161 -0.797 -1.124 1.00 0.00 O ATOM 1066 NE2 GLN A 70 1.276 0.449 -2.623 1.00 0.00 N ATOM 0 H GLN A 70 1.737 -4.322 -0.141 1.00 0.00 H new ATOM 0 HA GLN A 70 3.934 -3.691 -1.971 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.188 -2.118 -0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.635 -1.417 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.769 -1.495 -2.953 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.538 -2.668 -2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.055 0.514 -3.278 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.644 1.240 -2.502 1.00 0.00 H new ATOM 1075 N ALA A 71 4.209 -3.830 1.317 1.00 0.00 N ATOM 1076 CA ALA A 71 5.169 -3.953 2.407 1.00 0.00 C ATOM 1077 C ALA A 71 6.194 -5.044 2.115 1.00 0.00 C ATOM 1078 O ALA A 71 7.271 -5.071 2.710 1.00 0.00 O ATOM 1079 CB ALA A 71 4.447 -4.240 3.715 1.00 0.00 C ATOM 0 H ALA A 71 3.233 -3.886 1.607 1.00 0.00 H new ATOM 0 HA ALA A 71 5.702 -3.006 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.176 -4.330 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.759 -3.425 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.889 -5.172 3.626 1.00 0.00 H new ATOM 1085 N TRP A 72 5.851 -5.940 1.198 1.00 0.00 N ATOM 1086 CA TRP A 72 6.742 -7.034 0.828 1.00 0.00 C ATOM 1087 C TRP A 72 7.557 -6.678 -0.411 1.00 0.00 C ATOM 1088 O TRP A 72 8.691 -7.129 -0.571 1.00 0.00 O ATOM 1089 CB TRP A 72 5.939 -8.311 0.576 1.00 0.00 C ATOM 1090 CG TRP A 72 6.798 -9.516 0.336 1.00 0.00 C ATOM 1091 CD1 TRP A 72 6.775 -10.335 -0.756 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.805 -10.038 1.210 1.00 0.00 C ATOM 1093 NE1 TRP A 72 7.707 -11.334 -0.614 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.352 -11.174 0.583 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.299 -9.655 2.460 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.367 -11.929 1.165 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 9.305 -10.405 3.037 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.831 -11.531 2.390 1.00 0.00 C ATOM 0 H TRP A 72 4.963 -5.931 0.697 1.00 0.00 H new ATOM 0 HA TRP A 72 7.430 -7.204 1.656 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.292 -8.500 1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.290 -8.159 -0.286 1.00 0.00 H new ATOM 0 HD1 TRP A 72 6.120 -10.215 -1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.889 -12.075 -1.291 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.901 -8.788 2.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.774 -12.797 0.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.693 -10.119 4.003 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.618 -12.096 2.867 1.00 0.00 H new ATOM 1109 N LYS A 73 6.972 -5.867 -1.285 1.00 0.00 N ATOM 1110 CA LYS A 73 7.643 -5.448 -2.510 1.00 0.00 C ATOM 1111 C LYS A 73 8.967 -4.758 -2.196 1.00 0.00 C ATOM 1112 O LYS A 73 9.832 -4.631 -3.063 1.00 0.00 O ATOM 1113 CB LYS A 73 6.743 -4.507 -3.313 1.00 0.00 C ATOM 1114 CG LYS A 73 5.833 -5.226 -4.293 1.00 0.00 C ATOM 1115 CD LYS A 73 5.149 -4.251 -5.238 1.00 0.00 C ATOM 1116 CE LYS A 73 4.133 -4.954 -6.125 1.00 0.00 C ATOM 1117 NZ LYS A 73 4.785 -5.663 -7.261 1.00 0.00 N ATOM 0 H LYS A 73 6.033 -5.486 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 73 7.849 -6.338 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.132 -3.925 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.367 -3.800 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.414 -5.946 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.080 -5.791 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.652 -3.471 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.897 -3.759 -5.859 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.564 -5.668 -5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.422 -4.224 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.059 -6.129 -7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.307 -4.978 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.444 -6.377 -6.892 1.00 0.00 H new ATOM 1131 N ILE A 74 9.118 -4.316 -0.952 1.00 0.00 N ATOM 1132 CA ILE A 74 10.338 -3.642 -0.524 1.00 0.00 C ATOM 1133 C ILE A 74 11.125 -4.501 0.460 1.00 0.00 C ATOM 1134 O ILE A 74 12.356 -4.496 0.459 1.00 0.00 O ATOM 1135 CB ILE A 74 10.029 -2.283 0.131 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.402 -1.331 -0.890 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.296 -1.678 0.718 1.00 0.00 C ATOM 1138 CD1 ILE A 74 7.908 -1.511 -1.045 1.00 0.00 C ATOM 0 H ILE A 74 8.411 -4.412 -0.223 1.00 0.00 H new ATOM 0 HA ILE A 74 10.938 -3.477 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 74 9.315 -2.440 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.607 -0.303 -0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 74 9.880 -1.482 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 74 11.062 -0.718 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.705 -2.351 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 74 12.030 -1.532 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 74 7.531 -0.804 -1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.696 -2.528 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.419 -1.331 -0.088 1.00 0.00 H new ATOM 1150 N LEU A 75 10.406 -5.239 1.298 1.00 0.00 N ATOM 1151 CA LEU A 75 11.036 -6.107 2.288 1.00 0.00 C ATOM 1152 C LEU A 75 11.147 -7.536 1.767 1.00 0.00 C ATOM 1153 O LEU A 75 11.506 -8.451 2.507 1.00 0.00 O ATOM 1154 CB LEU A 75 10.239 -6.087 3.593 1.00 0.00 C ATOM 1155 CG LEU A 75 9.943 -4.706 4.178 1.00 0.00 C ATOM 1156 CD1 LEU A 75 9.119 -4.830 5.450 1.00 0.00 C ATOM 1157 CD2 LEU A 75 11.238 -3.954 4.452 1.00 0.00 C ATOM 0 H LEU A 75 9.386 -5.254 1.312 1.00 0.00 H new ATOM 0 HA LEU A 75 12.041 -5.731 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.291 -6.599 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.785 -6.665 4.338 1.00 0.00 H new ATOM 0 HG LEU A 75 9.364 -4.140 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.918 -3.837 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.176 -5.328 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.671 -5.414 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.008 -2.973 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.842 -4.517 5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.792 -3.832 3.521 1.00 0.00 H new ATOM 1169 N GLY A 76 10.837 -7.720 0.487 1.00 0.00 N ATOM 1170 CA GLY A 76 10.910 -9.041 -0.111 1.00 0.00 C ATOM 1171 C GLY A 76 12.243 -9.298 -0.786 1.00 0.00 C ATOM 1172 O GLY A 76 12.793 -10.394 -0.689 1.00 0.00 O ATOM 0 H GLY A 76 10.537 -6.979 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.745 -9.795 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.109 -9.151 -0.842 1.00 0.00 H new ATOM 1176 N ASN A 77 12.761 -8.286 -1.474 1.00 0.00 N ATOM 1177 CA ASN A 77 14.037 -8.409 -2.170 1.00 0.00 C ATOM 1178 C ASN A 77 15.202 -8.151 -1.221 1.00 0.00 C ATOM 1179 O ASN A 77 15.004 -7.926 -0.027 1.00 0.00 O ATOM 1180 CB ASN A 77 14.096 -7.432 -3.346 1.00 0.00 C ATOM 1181 CG ASN A 77 12.782 -7.353 -4.099 1.00 0.00 C ATOM 1182 OD1 ASN A 77 11.854 -8.117 -3.833 1.00 0.00 O ATOM 1183 ND2 ASN A 77 12.697 -6.424 -5.045 1.00 0.00 N ATOM 0 H ASN A 77 12.317 -7.372 -1.565 1.00 0.00 H new ATOM 0 HA ASN A 77 14.119 -9.428 -2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.361 -6.441 -2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 77 14.886 -7.740 -4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 77 11.837 -6.323 -5.584 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.491 -5.812 -5.232 1.00 0.00 H new ATOM 1190 N GLU A 78 16.417 -8.186 -1.760 1.00 0.00 N ATOM 1191 CA GLU A 78 17.614 -7.956 -0.960 1.00 0.00 C ATOM 1192 C GLU A 78 18.110 -6.522 -1.123 1.00 0.00 C ATOM 1193 O GLU A 78 18.691 -5.948 -0.203 1.00 0.00 O ATOM 1194 CB GLU A 78 18.718 -8.938 -1.359 1.00 0.00 C ATOM 1195 CG GLU A 78 19.845 -9.033 -0.344 1.00 0.00 C ATOM 1196 CD GLU A 78 20.586 -7.721 -0.172 1.00 0.00 C ATOM 1197 OE1 GLU A 78 20.691 -6.965 -1.161 1.00 0.00 O ATOM 1198 OE2 GLU A 78 21.062 -7.451 0.950 1.00 0.00 O ATOM 0 H GLU A 78 16.598 -8.371 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 78 17.356 -8.116 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 78 18.281 -9.927 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.131 -8.635 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.438 -9.345 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.548 -9.805 -0.658 1.00 0.00 H new ATOM 1205 N GLU A 79 17.877 -5.952 -2.300 1.00 0.00 N ATOM 1206 CA GLU A 79 18.301 -4.586 -2.584 1.00 0.00 C ATOM 1207 C GLU A 79 17.355 -3.577 -1.940 1.00 0.00 C ATOM 1208 O GLU A 79 17.777 -2.722 -1.161 1.00 0.00 O ATOM 1209 CB GLU A 79 18.363 -4.351 -4.095 1.00 0.00 C ATOM 1210 CG GLU A 79 18.711 -2.922 -4.475 1.00 0.00 C ATOM 1211 CD GLU A 79 19.155 -2.794 -5.919 1.00 0.00 C ATOM 1212 OE1 GLU A 79 18.341 -3.090 -6.819 1.00 0.00 O ATOM 1213 OE2 GLU A 79 20.317 -2.398 -6.150 1.00 0.00 O ATOM 0 H GLU A 79 17.397 -6.414 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 79 19.296 -4.447 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.103 -5.024 -4.529 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.400 -4.611 -4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.843 -2.284 -4.308 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.504 -2.559 -3.821 1.00 0.00 H new ATOM 1220 N THR A 80 16.072 -3.682 -2.272 1.00 0.00 N ATOM 1221 CA THR A 80 15.065 -2.779 -1.728 1.00 0.00 C ATOM 1222 C THR A 80 15.050 -2.826 -0.205 1.00 0.00 C ATOM 1223 O THR A 80 15.124 -1.791 0.459 1.00 0.00 O ATOM 1224 CB THR A 80 13.659 -3.123 -2.255 1.00 0.00 C ATOM 1225 OG1 THR A 80 13.444 -4.538 -2.191 1.00 0.00 O ATOM 1226 CG2 THR A 80 13.485 -2.643 -3.688 1.00 0.00 C ATOM 0 H THR A 80 15.706 -4.384 -2.915 1.00 0.00 H new ATOM 0 HA THR A 80 15.332 -1.774 -2.055 1.00 0.00 H new ATOM 0 HB THR A 80 12.926 -2.616 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.056 -4.771 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.485 -2.897 -4.038 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.620 -1.562 -3.729 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.226 -3.125 -4.326 1.00 0.00 H new ATOM 1234 N LYS A 81 14.955 -4.032 0.345 1.00 0.00 N ATOM 1235 CA LYS A 81 14.933 -4.214 1.792 1.00 0.00 C ATOM 1236 C LYS A 81 16.124 -3.522 2.446 1.00 0.00 C ATOM 1237 O LYS A 81 16.058 -3.111 3.604 1.00 0.00 O ATOM 1238 CB LYS A 81 14.942 -5.705 2.138 1.00 0.00 C ATOM 1239 CG LYS A 81 14.558 -5.996 3.579 1.00 0.00 C ATOM 1240 CD LYS A 81 15.771 -5.975 4.494 1.00 0.00 C ATOM 1241 CE LYS A 81 15.586 -6.902 5.686 1.00 0.00 C ATOM 1242 NZ LYS A 81 16.582 -6.630 6.759 1.00 0.00 N ATOM 0 H LYS A 81 14.892 -4.898 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 81 14.018 -3.763 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.253 -6.228 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.937 -6.108 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.832 -5.258 3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.074 -6.971 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.656 -6.274 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 81 15.945 -4.958 4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.579 -6.783 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.678 -7.938 5.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.214 -6.973 7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.472 -7.121 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.757 -5.607 6.819 1.00 0.00 H new ATOM 1256 N LYS A 82 17.214 -3.395 1.696 1.00 0.00 N ATOM 1257 CA LYS A 82 18.420 -2.750 2.201 1.00 0.00 C ATOM 1258 C LYS A 82 18.332 -1.235 2.047 1.00 0.00 C ATOM 1259 O LYS A 82 18.498 -0.491 3.014 1.00 0.00 O ATOM 1260 CB LYS A 82 19.653 -3.278 1.463 1.00 0.00 C ATOM 1261 CG LYS A 82 20.947 -2.603 1.882 1.00 0.00 C ATOM 1262 CD LYS A 82 22.033 -2.781 0.834 1.00 0.00 C ATOM 1263 CE LYS A 82 21.841 -1.827 -0.335 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.407 -2.377 -1.598 1.00 0.00 N ATOM 0 H LYS A 82 17.286 -3.731 0.736 1.00 0.00 H new ATOM 0 HA LYS A 82 18.511 -2.985 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.739 -4.350 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.511 -3.140 0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.768 -1.540 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.285 -3.019 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 82 23.009 -2.610 1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 82 22.025 -3.809 0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.778 -1.627 -0.470 1.00 0.00 H new ATOM 0 HE3 LYS A 82 22.318 -0.874 -0.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 22.256 -1.698 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.426 -2.544 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.934 -3.274 -1.829 1.00 0.00 H new ATOM 1278 N LYS A 83 18.070 -0.783 0.825 1.00 0.00 N ATOM 1279 CA LYS A 83 17.957 0.643 0.544 1.00 0.00 C ATOM 1280 C LYS A 83 16.907 1.293 1.438 1.00 0.00 C ATOM 1281 O LYS A 83 17.052 2.445 1.847 1.00 0.00 O ATOM 1282 CB LYS A 83 17.599 0.867 -0.927 1.00 0.00 C ATOM 1283 CG LYS A 83 16.104 0.887 -1.193 1.00 0.00 C ATOM 1284 CD LYS A 83 15.802 1.065 -2.671 1.00 0.00 C ATOM 1285 CE LYS A 83 16.741 0.237 -3.535 1.00 0.00 C ATOM 1286 NZ LYS A 83 18.028 0.941 -3.789 1.00 0.00 N ATOM 0 H LYS A 83 17.932 -1.385 0.013 1.00 0.00 H new ATOM 0 HA LYS A 83 18.922 1.106 0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.031 1.812 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.056 0.080 -1.527 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.658 -0.043 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.644 1.697 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.771 0.774 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.893 2.118 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.939 -0.716 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.257 0.012 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.194 1.002 -4.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.985 1.899 -3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.806 0.414 -3.343 1.00 0.00 H new ATOM 1300 N TYR A 84 15.851 0.546 1.741 1.00 0.00 N ATOM 1301 CA TYR A 84 14.775 1.050 2.587 1.00 0.00 C ATOM 1302 C TYR A 84 15.302 1.433 3.966 1.00 0.00 C ATOM 1303 O TYR A 84 15.180 2.582 4.393 1.00 0.00 O ATOM 1304 CB TYR A 84 13.671 0.001 2.723 1.00 0.00 C ATOM 1305 CG TYR A 84 12.506 0.454 3.574 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.829 1.633 3.287 1.00 0.00 C ATOM 1307 CD2 TYR A 84 12.083 -0.295 4.665 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.765 2.053 4.061 1.00 0.00 C ATOM 1309 CE2 TYR A 84 11.019 0.116 5.444 1.00 0.00 C ATOM 1310 CZ TYR A 84 10.363 1.290 5.138 1.00 0.00 C ATOM 1311 OH TYR A 84 9.304 1.703 5.913 1.00 0.00 O ATOM 0 H TYR A 84 15.717 -0.411 1.413 1.00 0.00 H new ATOM 0 HA TYR A 84 14.362 1.942 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.305 -0.260 1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 84 14.094 -0.906 3.155 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.140 2.232 2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.595 -1.214 4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 84 10.251 2.973 3.825 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.702 -0.479 6.288 1.00 0.00 H new ATOM 0 HH TYR A 84 8.537 1.905 5.338 1.00 0.00 H new ATOM 1321 N ASP A 85 15.888 0.463 4.659 1.00 0.00 N ATOM 1322 CA ASP A 85 16.435 0.697 5.990 1.00 0.00 C ATOM 1323 C ASP A 85 17.208 2.012 6.036 1.00 0.00 C ATOM 1324 O ASP A 85 16.979 2.848 6.911 1.00 0.00 O ATOM 1325 CB ASP A 85 17.348 -0.460 6.400 1.00 0.00 C ATOM 1326 CG ASP A 85 17.363 -0.681 7.900 1.00 0.00 C ATOM 1327 OD1 ASP A 85 16.298 -0.528 8.533 1.00 0.00 O ATOM 1328 OD2 ASP A 85 18.441 -1.007 8.441 1.00 0.00 O ATOM 0 H ASP A 85 15.996 -0.493 4.321 1.00 0.00 H new ATOM 0 HA ASP A 85 15.604 0.760 6.692 1.00 0.00 H new ATOM 0 HB2 ASP A 85 17.018 -1.373 5.904 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.362 -0.259 6.055 1.00 0.00 H new ATOM 1333 N LEU A 86 18.124 2.187 5.090 1.00 0.00 N ATOM 1334 CA LEU A 86 18.932 3.400 5.023 1.00 0.00 C ATOM 1335 C LEU A 86 18.049 4.635 4.872 1.00 0.00 C ATOM 1336 O LEU A 86 18.273 5.652 5.527 1.00 0.00 O ATOM 1337 CB LEU A 86 19.916 3.316 3.856 1.00 0.00 C ATOM 1338 CG LEU A 86 21.174 2.480 4.096 1.00 0.00 C ATOM 1339 CD1 LEU A 86 21.913 2.970 5.332 1.00 0.00 C ATOM 1340 CD2 LEU A 86 20.816 1.007 4.236 1.00 0.00 C ATOM 0 H LEU A 86 18.326 1.505 4.359 1.00 0.00 H new ATOM 0 HA LEU A 86 19.490 3.488 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.391 2.906 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 86 20.222 4.328 3.592 1.00 0.00 H new ATOM 0 HG LEU A 86 21.833 2.594 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 86 22.805 2.363 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.202 4.012 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.262 2.886 6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.723 0.427 4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.138 0.876 5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.331 0.662 3.323 1.00 0.00 H new ATOM 1352 N GLN A 87 17.046 4.536 4.006 1.00 0.00 N ATOM 1353 CA GLN A 87 16.129 5.645 3.770 1.00 0.00 C ATOM 1354 C GLN A 87 15.400 6.030 5.053 1.00 0.00 C ATOM 1355 O GLN A 87 15.480 7.172 5.505 1.00 0.00 O ATOM 1356 CB GLN A 87 15.116 5.275 2.685 1.00 0.00 C ATOM 1357 CG GLN A 87 15.649 5.445 1.272 1.00 0.00 C ATOM 1358 CD GLN A 87 15.601 6.884 0.800 1.00 0.00 C ATOM 1359 OE1 GLN A 87 16.431 7.706 1.190 1.00 0.00 O ATOM 1360 NE2 GLN A 87 14.627 7.198 -0.046 1.00 0.00 N ATOM 0 H GLN A 87 16.848 3.700 3.456 1.00 0.00 H new ATOM 0 HA GLN A 87 16.713 6.502 3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.807 4.239 2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.226 5.892 2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.678 5.087 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.067 4.824 0.591 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.960 6.486 -0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.545 8.152 -0.399 1.00 0.00 H new ATOM 1369 N ARG A 88 14.688 5.070 5.635 1.00 0.00 N ATOM 1370 CA ARG A 88 13.944 5.310 6.865 1.00 0.00 C ATOM 1371 C ARG A 88 14.872 5.784 7.979 1.00 0.00 C ATOM 1372 O ARG A 88 16.080 5.550 7.936 1.00 0.00 O ATOM 1373 CB ARG A 88 13.215 4.037 7.301 1.00 0.00 C ATOM 1374 CG ARG A 88 14.149 2.909 7.707 1.00 0.00 C ATOM 1375 CD ARG A 88 13.376 1.665 8.115 1.00 0.00 C ATOM 1376 NE ARG A 88 12.639 1.862 9.360 1.00 0.00 N ATOM 1377 CZ ARG A 88 11.428 2.404 9.420 1.00 0.00 C ATOM 1378 NH1 ARG A 88 10.820 2.801 8.310 1.00 0.00 N ATOM 1379 NH2 ARG A 88 10.822 2.550 10.591 1.00 0.00 N ATOM 0 H ARG A 88 14.611 4.119 5.274 1.00 0.00 H new ATOM 0 HA ARG A 88 13.211 6.093 6.670 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.559 4.273 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.579 3.695 6.484 1.00 0.00 H new ATOM 0 HG2 ARG A 88 14.814 2.670 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.778 3.236 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 88 12.680 1.394 7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.068 0.831 8.231 1.00 0.00 H new ATOM 0 HE ARG A 88 13.079 1.567 10.232 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.283 2.690 7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.890 3.217 8.359 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.286 2.246 11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.892 2.966 10.636 1.00 0.00 H new ATOM 1393 N SER A 89 14.299 6.452 8.975 1.00 0.00 N ATOM 1394 CA SER A 89 15.076 6.964 10.098 1.00 0.00 C ATOM 1395 C SER A 89 15.304 5.875 11.142 1.00 0.00 C ATOM 1396 O SER A 89 14.560 4.897 11.208 1.00 0.00 O ATOM 1397 CB SER A 89 14.363 8.157 10.737 1.00 0.00 C ATOM 1398 OG SER A 89 14.684 9.363 10.065 1.00 0.00 O ATOM 0 H SER A 89 13.300 6.651 9.027 1.00 0.00 H new ATOM 0 HA SER A 89 16.045 7.289 9.719 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.285 7.998 10.710 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.647 8.235 11.786 1.00 0.00 H new ATOM 0 HG SER A 89 14.214 10.110 10.491 1.00 0.00 H new ATOM 1404 N GLY A 90 16.339 6.052 11.958 1.00 0.00 N ATOM 1405 CA GLY A 90 16.648 5.077 12.987 1.00 0.00 C ATOM 1406 C GLY A 90 16.955 5.723 14.324 1.00 0.00 C ATOM 1407 O GLY A 90 17.487 6.831 14.394 1.00 0.00 O ATOM 0 H GLY A 90 16.969 6.854 11.924 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.806 4.395 13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.503 4.478 12.671 1.00 0.00 H new ATOM 1411 N PRO A 91 16.614 5.023 15.416 1.00 0.00 N ATOM 1412 CA PRO A 91 16.846 5.517 16.777 1.00 0.00 C ATOM 1413 C PRO A 91 18.328 5.546 17.138 1.00 0.00 C ATOM 1414 O PRO A 91 18.698 5.931 18.247 1.00 0.00 O ATOM 1415 CB PRO A 91 16.102 4.506 17.653 1.00 0.00 C ATOM 1416 CG PRO A 91 16.067 3.256 16.842 1.00 0.00 C ATOM 1417 CD PRO A 91 15.976 3.696 15.407 1.00 0.00 C ATOM 0 HA PRO A 91 16.503 6.544 16.902 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.617 4.349 18.601 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.096 4.852 17.890 1.00 0.00 H new ATOM 0 HG2 PRO A 91 16.962 2.656 17.010 1.00 0.00 H new ATOM 0 HG3 PRO A 91 15.212 2.637 17.115 1.00 0.00 H new ATOM 0 HD2 PRO A 91 16.494 3.006 14.741 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.941 3.750 15.068 1.00 0.00 H new ATOM 1425 N SER A 92 19.170 5.138 16.195 1.00 0.00 N ATOM 1426 CA SER A 92 20.611 5.114 16.415 1.00 0.00 C ATOM 1427 C SER A 92 21.201 6.517 16.304 1.00 0.00 C ATOM 1428 O SER A 92 21.384 7.040 15.205 1.00 0.00 O ATOM 1429 CB SER A 92 21.288 4.184 15.407 1.00 0.00 C ATOM 1430 OG SER A 92 20.933 4.526 14.078 1.00 0.00 O ATOM 0 H SER A 92 18.879 4.819 15.271 1.00 0.00 H new ATOM 0 HA SER A 92 20.793 4.740 17.423 1.00 0.00 H new ATOM 0 HB2 SER A 92 22.370 4.242 15.524 1.00 0.00 H new ATOM 0 HB3 SER A 92 21.000 3.152 15.609 1.00 0.00 H new ATOM 0 HG SER A 92 21.046 5.491 13.947 1.00 0.00 H new ATOM 1436 N SER A 93 21.496 7.121 17.451 1.00 0.00 N ATOM 1437 CA SER A 93 22.061 8.465 17.484 1.00 0.00 C ATOM 1438 C SER A 93 22.666 8.766 18.852 1.00 0.00 C ATOM 1439 O SER A 93 22.425 8.047 19.822 1.00 0.00 O ATOM 1440 CB SER A 93 20.986 9.501 17.150 1.00 0.00 C ATOM 1441 OG SER A 93 21.564 10.685 16.628 1.00 0.00 O ATOM 0 H SER A 93 21.353 6.701 18.369 1.00 0.00 H new ATOM 0 HA SER A 93 22.852 8.519 16.736 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.287 9.084 16.425 1.00 0.00 H new ATOM 0 HB3 SER A 93 20.413 9.737 18.047 1.00 0.00 H new ATOM 0 HG SER A 93 20.856 11.331 16.421 1.00 0.00 H new ATOM 1447 N GLY A 94 23.454 9.834 18.922 1.00 0.00 N ATOM 1448 CA GLY A 94 24.082 10.213 20.174 1.00 0.00 C ATOM 1449 C GLY A 94 25.518 10.663 19.990 1.00 0.00 C ATOM 1450 O GLY A 94 25.878 11.778 20.366 1.00 0.00 O ATOM 0 H GLY A 94 23.669 10.444 18.133 1.00 0.00 H new ATOM 0 HA2 GLY A 94 23.509 11.017 20.635 1.00 0.00 H new ATOM 0 HA3 GLY A 94 24.055 9.367 20.861 1.00 0.00 H new TER 1454 GLY A 94