USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 0 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: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 64 MET CE :methyl -117:sc= -11! (180deg=-12.8!) USER MOD Set 1.3: B 66 GLN : amide:sc= -0.0133 X(o=-11,f=-11) USER MOD Set 2.1: B 57 ASN : amide:sc= -12.6! C(o=-20!,f=-21!) USER MOD Set 2.2: B 69 THR OG1 : rot -9:sc= -7.61! USER MOD Set 3.1: B 32 GLN :FLIP amide:sc= 0.328 F(o=-1.8,f=0.7) USER MOD Set 3.2: B 35 LYS NZ :NH3+ 138:sc= 0.375 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -120:sc= -1.59 (180deg=-4.86!) USER MOD Single : A 3 GLN : amide:sc= -2.34 K(o=-2.3,f=-6!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.878 K(o=-0.88,f=-2.3!) USER MOD Single : A 10 GLN : amide:sc= -0.305 K(o=-0.31,f=-2.8!) USER MOD Single : A 11 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.613 K(o=-0.61,f=-1.4) USER MOD Single : A 14 HIS : no HE2:sc= -5.75 X(o=-5.8,f=-6.1) USER MOD Single : A 19 GLN : amide:sc= -0.419 K(o=-0.42,f=-2!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -3.4! C(o=-3.4!,f=-7.7!) USER MOD Single : A 25 GLN : amide:sc= -0.0919 X(o=-0.092,f=-0.022) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.4!) USER MOD Single : B 1 GLN N :NH3+ 157:sc= -0.888 (180deg=-2.05!) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN :FLIP amide:sc= -1.43 F(o=-1.9,f=-1.4) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 16 ASN :FLIP amide:sc=-0.00786 F(o=-0.78,f=-0.0079) USER MOD Single : B 20 GLN : amide:sc= -0.29 K(o=-0.29,f=-1.4!) USER MOD Single : B 23 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.8!) USER MOD Single : B 29 THR OG1 : rot -175:sc= 0.484 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -4.91! C(o=-4.9!,f=-7.1!) USER MOD Single : B 42 GLN :FLIP amide:sc= -0.41 F(o=-1.2,f=-0.41) USER MOD Single : B 43 HIS :FLIP no HD1:sc= -1.88! C(o=-4.1!,f=-1.9!) USER MOD Single : B 47 GLN : amide:sc= -0.0553 X(o=-0.055,f=0.3) USER MOD Single : B 48 SER OG : rot 88:sc= -0.678! USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 52 TYR OH : rot 180:sc= -0.494 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 LYS NZ :NH3+ -149:sc= -0.185 (180deg=-1.45!) USER MOD Single : B 60 ASN : amide:sc= -2.97! C(o=-3!,f=-3.4!) USER MOD Single : B 63 ASN : amide:sc= -2.83! C(o=-2.8!,f=-14!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 2.513 -4.556 16.848 1.00 0.00 N ATOM 2 CA GLN A 1 3.584 -4.003 16.036 1.00 0.00 C ATOM 3 C GLN A 1 4.498 -5.122 15.531 1.00 0.00 C ATOM 4 O GLN A 1 5.675 -5.175 15.887 1.00 0.00 O ATOM 5 CB GLN A 1 4.380 -2.956 16.817 1.00 0.00 C ATOM 6 CG GLN A 1 3.529 -1.715 17.093 1.00 0.00 C ATOM 7 CD GLN A 1 4.318 -0.675 17.891 1.00 0.00 C ATOM 8 OE1 GLN A 1 4.835 0.293 17.358 1.00 0.00 O ATOM 9 NE2 GLN A 1 4.382 -0.928 19.196 1.00 0.00 N ATOM 0 H1 GLN A 1 1.595 -4.319 16.420 1.00 0.00 H new ATOM 0 H2 GLN A 1 2.615 -5.590 16.899 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.562 -4.155 17.806 1.00 0.00 H new ATOM 0 HA GLN A 1 3.140 -3.505 15.174 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.723 -3.383 17.759 1.00 0.00 H new ATOM 0 HB3 GLN A 1 5.269 -2.674 16.253 1.00 0.00 H new ATOM 0 HG2 GLN A 1 3.197 -1.280 16.150 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.633 -1.999 17.645 1.00 0.00 H new ATOM 0 HE21 GLN A 1 3.926 -1.757 19.578 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.887 -0.293 19.814 1.00 0.00 H new ATOM 10 N PRO A 2 3.908 -6.010 14.687 1.00 0.00 N ATOM 11 CA PRO A 2 4.656 -7.124 14.130 1.00 0.00 C ATOM 12 C PRO A 2 5.601 -6.650 13.024 1.00 0.00 C ATOM 13 O PRO A 2 5.191 -5.925 12.120 1.00 0.00 O ATOM 14 CB PRO A 2 3.600 -8.098 13.633 1.00 0.00 C ATOM 15 CG PRO A 2 2.317 -7.292 13.507 1.00 0.00 C ATOM 16 CD PRO A 2 2.517 -5.979 14.245 1.00 0.00 C ATOM 0 HA PRO A 2 5.306 -7.603 14.862 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.887 -8.529 12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.474 -8.927 14.330 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.083 -7.109 12.458 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.477 -7.843 13.929 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.327 -5.126 13.594 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.835 -5.892 15.091 1.00 0.00 H new ATOM 17 N GLN A 3 6.850 -7.081 13.133 1.00 0.00 N ATOM 18 CA GLN A 3 7.857 -6.710 12.153 1.00 0.00 C ATOM 19 C GLN A 3 7.628 -7.468 10.843 1.00 0.00 C ATOM 20 O GLN A 3 7.894 -6.941 9.763 1.00 0.00 O ATOM 21 CB GLN A 3 9.266 -6.962 12.693 1.00 0.00 C ATOM 22 CG GLN A 3 10.158 -5.735 12.491 1.00 0.00 C ATOM 23 CD GLN A 3 10.767 -5.726 11.087 1.00 0.00 C ATOM 24 OE1 GLN A 3 10.179 -5.249 10.130 1.00 0.00 O ATOM 25 NE2 GLN A 3 11.974 -6.279 11.017 1.00 0.00 N ATOM 0 H GLN A 3 7.187 -7.683 13.884 1.00 0.00 H new ATOM 0 HA GLN A 3 7.765 -5.642 11.953 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.214 -7.208 13.754 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.705 -7.822 12.187 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.574 -4.827 12.644 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.953 -5.732 13.236 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.410 -6.660 11.857 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.464 -6.322 10.124 1.00 0.00 H new ATOM 26 N LYS A 4 7.138 -8.691 10.983 1.00 0.00 N ATOM 27 CA LYS A 4 6.871 -9.525 9.824 1.00 0.00 C ATOM 28 C LYS A 4 6.351 -8.652 8.680 1.00 0.00 C ATOM 29 O LYS A 4 6.871 -8.706 7.567 1.00 0.00 O ATOM 30 CB LYS A 4 5.930 -10.673 10.197 1.00 0.00 C ATOM 31 CG LYS A 4 6.719 -11.898 10.664 1.00 0.00 C ATOM 32 CD LYS A 4 5.807 -12.897 11.380 1.00 0.00 C ATOM 33 CE LYS A 4 5.634 -12.521 12.853 1.00 0.00 C ATOM 34 NZ LYS A 4 6.672 -13.175 13.681 1.00 0.00 N ATOM 0 H LYS A 4 6.919 -9.124 11.880 1.00 0.00 H new ATOM 0 HA LYS A 4 7.790 -9.995 9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.252 -10.350 10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.315 -10.938 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.190 -12.380 9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.520 -11.586 11.335 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.833 -12.922 10.890 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.228 -13.899 11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.697 -11.439 12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.644 -12.821 13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.540 -12.909 14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.593 -14.208 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.614 -12.869 13.363 1.00 0.00 H new ATOM 35 N CYS A 5 5.331 -7.866 8.994 1.00 0.00 N ATOM 36 CA CYS A 5 4.736 -6.983 8.006 1.00 0.00 C ATOM 37 C CYS A 5 5.792 -5.963 7.576 1.00 0.00 C ATOM 38 O CYS A 5 6.363 -6.074 6.493 1.00 0.00 O ATOM 39 CB CYS A 5 3.472 -6.306 8.542 1.00 0.00 C ATOM 40 SG CYS A 5 1.930 -6.762 7.670 1.00 0.00 S ATOM 0 H CYS A 5 4.902 -7.823 9.918 1.00 0.00 H new ATOM 0 HA CYS A 5 4.419 -7.563 7.139 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.363 -6.555 9.598 1.00 0.00 H new ATOM 0 HB3 CYS A 5 3.602 -5.225 8.481 1.00 0.00 H new ATOM 41 N GLN A 6 6.019 -4.991 8.447 1.00 0.00 N ATOM 42 CA GLN A 6 6.996 -3.951 8.171 1.00 0.00 C ATOM 43 C GLN A 6 8.199 -4.536 7.429 1.00 0.00 C ATOM 44 O GLN A 6 8.750 -3.899 6.533 1.00 0.00 O ATOM 45 CB GLN A 6 7.434 -3.254 9.461 1.00 0.00 C ATOM 46 CG GLN A 6 6.548 -3.670 10.637 1.00 0.00 C ATOM 47 CD GLN A 6 7.017 -3.011 11.937 1.00 0.00 C ATOM 48 OE1 GLN A 6 8.183 -3.048 12.294 1.00 0.00 O ATOM 49 NE2 GLN A 6 6.047 -2.410 12.619 1.00 0.00 N ATOM 0 H GLN A 6 5.543 -4.901 9.345 1.00 0.00 H new ATOM 0 HA GLN A 6 6.529 -3.202 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.473 -3.502 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.386 -2.173 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.514 -3.389 10.435 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.568 -4.754 10.747 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.092 -2.418 12.261 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.258 -1.941 13.500 1.00 0.00 H new ATOM 50 N ARG A 7 8.570 -5.744 7.828 1.00 0.00 N ATOM 51 CA ARG A 7 9.696 -6.423 7.212 1.00 0.00 C ATOM 52 C ARG A 7 9.282 -7.026 5.868 1.00 0.00 C ATOM 53 O ARG A 7 9.989 -6.875 4.872 1.00 0.00 O ATOM 54 CB ARG A 7 10.234 -7.534 8.117 1.00 0.00 C ATOM 55 CG ARG A 7 11.313 -8.349 7.404 1.00 0.00 C ATOM 56 CD ARG A 7 12.397 -8.802 8.386 1.00 0.00 C ATOM 57 NE ARG A 7 12.852 -10.167 8.041 1.00 0.00 N ATOM 58 CZ ARG A 7 12.278 -11.297 8.506 1.00 0.00 C ATOM 59 NH1 ARG A 7 11.219 -11.233 9.340 1.00 0.00 N ATOM 60 NH2 ARG A 7 12.769 -12.465 8.134 1.00 0.00 N ATOM 0 H ARG A 7 8.110 -6.270 8.571 1.00 0.00 H new ATOM 0 HA ARG A 7 10.482 -5.684 7.057 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.645 -7.099 9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.417 -8.190 8.418 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.861 -9.220 6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 7 11.762 -7.750 6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.239 -8.110 8.356 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.007 -8.786 9.404 1.00 0.00 H new ATOM 0 HE ARG A 7 13.650 -10.260 7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.847 -10.326 9.623 1.00 0.00 H new ATOM 0 HH12 ARG A 7 10.791 -12.091 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.570 -12.504 7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.347 -13.328 8.476 1.00 0.00 H new ATOM 61 N GLU A 8 8.141 -7.697 5.883 1.00 0.00 N ATOM 62 CA GLU A 8 7.624 -8.324 4.678 1.00 0.00 C ATOM 63 C GLU A 8 7.837 -7.407 3.471 1.00 0.00 C ATOM 64 O GLU A 8 8.186 -7.873 2.387 1.00 0.00 O ATOM 65 CB GLU A 8 6.146 -8.685 4.837 1.00 0.00 C ATOM 66 CG GLU A 8 5.956 -10.203 4.884 1.00 0.00 C ATOM 67 CD GLU A 8 5.770 -10.688 6.323 1.00 0.00 C ATOM 68 OE1 GLU A 8 4.694 -10.395 6.886 1.00 0.00 O ATOM 69 OE2 GLU A 8 6.709 -11.342 6.827 1.00 0.00 O ATOM 0 H GLU A 8 7.559 -7.821 6.711 1.00 0.00 H new ATOM 0 HA GLU A 8 8.173 -9.250 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.754 -8.237 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.575 -8.269 4.007 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.088 -10.483 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.821 -10.695 4.439 1.00 0.00 H new ATOM 70 N PHE A 9 7.618 -6.121 3.699 1.00 0.00 N ATOM 71 CA PHE A 9 7.780 -5.134 2.644 1.00 0.00 C ATOM 72 C PHE A 9 8.929 -5.517 1.709 1.00 0.00 C ATOM 73 O PHE A 9 8.703 -5.859 0.550 1.00 0.00 O ATOM 74 CB PHE A 9 8.112 -3.805 3.323 1.00 0.00 C ATOM 75 CG PHE A 9 8.019 -2.591 2.394 1.00 0.00 C ATOM 76 CD1 PHE A 9 8.844 -2.495 1.318 1.00 0.00 C ATOM 77 CD2 PHE A 9 7.111 -1.611 2.644 1.00 0.00 C ATOM 78 CE1 PHE A 9 8.758 -1.370 0.456 1.00 0.00 C ATOM 79 CE2 PHE A 9 7.025 -0.486 1.782 1.00 0.00 C ATOM 80 CZ PHE A 9 7.851 -0.390 0.706 1.00 0.00 C ATOM 0 H PHE A 9 7.329 -5.739 4.600 1.00 0.00 H new ATOM 0 HA PHE A 9 6.869 -5.070 2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.434 -3.659 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.121 -3.860 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.565 -3.274 1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.455 -1.688 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.414 -1.293 -0.399 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.304 0.293 1.981 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.786 0.466 0.050 1.00 0.00 H new ATOM 81 N GLN A 10 10.138 -5.446 2.249 1.00 0.00 N ATOM 82 CA GLN A 10 11.322 -5.781 1.477 1.00 0.00 C ATOM 83 C GLN A 10 11.577 -7.289 1.522 1.00 0.00 C ATOM 84 O GLN A 10 12.009 -7.879 0.533 1.00 0.00 O ATOM 85 CB GLN A 10 12.541 -5.004 1.979 1.00 0.00 C ATOM 86 CG GLN A 10 13.601 -4.880 0.882 1.00 0.00 C ATOM 87 CD GLN A 10 15.003 -5.123 1.446 1.00 0.00 C ATOM 88 OE1 GLN A 10 15.191 -5.390 2.621 1.00 0.00 O ATOM 89 NE2 GLN A 10 15.975 -5.017 0.543 1.00 0.00 N ATOM 0 H GLN A 10 10.322 -5.162 3.211 1.00 0.00 H new ATOM 0 HA GLN A 10 11.149 -5.493 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.234 -4.011 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.967 -5.509 2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.394 -5.598 0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.552 -3.887 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.749 -4.791 -0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.946 -5.162 0.819 1.00 0.00 H new ATOM 90 N GLN A 11 11.296 -7.871 2.679 1.00 0.00 N ATOM 91 CA GLN A 11 11.489 -9.298 2.865 1.00 0.00 C ATOM 92 C GLN A 11 11.073 -10.060 1.605 1.00 0.00 C ATOM 93 O GLN A 11 11.832 -10.880 1.093 1.00 0.00 O ATOM 94 CB GLN A 11 10.719 -9.800 4.088 1.00 0.00 C ATOM 95 CG GLN A 11 11.504 -10.889 4.823 1.00 0.00 C ATOM 96 CD GLN A 11 10.724 -12.204 4.850 1.00 0.00 C ATOM 97 OE1 GLN A 11 9.704 -12.338 5.506 1.00 0.00 O ATOM 98 NE2 GLN A 11 11.259 -13.166 4.102 1.00 0.00 N ATOM 0 H GLN A 11 10.936 -7.379 3.497 1.00 0.00 H new ATOM 0 HA GLN A 11 12.549 -9.481 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.523 -8.969 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.751 -10.192 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.466 -11.042 4.333 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.714 -10.566 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.115 -12.987 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 11 10.813 -14.082 4.053 1.00 0.00 H new ATOM 99 N GLU A 12 9.869 -9.759 1.142 1.00 0.00 N ATOM 100 CA GLU A 12 9.343 -10.405 -0.048 1.00 0.00 C ATOM 101 C GLU A 12 10.040 -9.863 -1.298 1.00 0.00 C ATOM 102 O GLU A 12 11.032 -10.429 -1.754 1.00 0.00 O ATOM 103 CB GLU A 12 7.826 -10.225 -0.145 1.00 0.00 C ATOM 104 CG GLU A 12 7.437 -8.756 0.022 1.00 0.00 C ATOM 105 CD GLU A 12 6.292 -8.603 1.027 1.00 0.00 C ATOM 106 OE1 GLU A 12 6.209 -9.466 1.927 1.00 0.00 O ATOM 107 OE2 GLU A 12 5.528 -7.625 0.872 1.00 0.00 O ATOM 0 H GLU A 12 9.243 -9.077 1.569 1.00 0.00 H new ATOM 0 HA GLU A 12 9.545 -11.474 0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.474 -10.591 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.335 -10.824 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.301 -8.183 0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.138 -8.343 -0.941 1.00 0.00 H new ATOM 108 N GLN A 13 9.493 -8.774 -1.816 1.00 0.00 N ATOM 109 CA GLN A 13 10.050 -8.148 -3.004 1.00 0.00 C ATOM 110 C GLN A 13 9.124 -7.038 -3.503 1.00 0.00 C ATOM 111 O GLN A 13 8.458 -7.191 -4.526 1.00 0.00 O ATOM 112 CB GLN A 13 10.303 -9.185 -4.100 1.00 0.00 C ATOM 113 CG GLN A 13 11.783 -9.568 -4.162 1.00 0.00 C ATOM 114 CD GLN A 13 11.953 -11.076 -4.346 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.080 -11.769 -4.843 1.00 0.00 O ATOM 116 NE2 GLN A 13 13.121 -11.547 -3.917 1.00 0.00 N ATOM 0 H GLN A 13 8.669 -8.308 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 13 11.009 -7.702 -2.741 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.701 -10.074 -3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.986 -8.786 -5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.264 -9.041 -4.986 1.00 0.00 H new ATOM 0 HG3 GLN A 13 12.283 -9.251 -3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.809 -10.913 -3.511 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.329 -12.543 -3.995 1.00 0.00 H new ATOM 117 N HIS A 14 9.112 -5.942 -2.757 1.00 0.00 N ATOM 118 CA HIS A 14 8.279 -4.805 -3.111 1.00 0.00 C ATOM 119 C HIS A 14 7.320 -5.201 -4.237 1.00 0.00 C ATOM 120 O HIS A 14 7.629 -5.015 -5.413 1.00 0.00 O ATOM 121 CB HIS A 14 9.139 -3.590 -3.465 1.00 0.00 C ATOM 122 CG HIS A 14 10.161 -3.234 -2.412 1.00 0.00 C ATOM 123 ND1 HIS A 14 11.074 -2.208 -2.571 1.00 0.00 N ATOM 124 CD2 HIS A 14 10.402 -3.777 -1.184 1.00 0.00 C ATOM 125 CE1 HIS A 14 11.828 -2.145 -1.483 1.00 0.00 C ATOM 126 NE2 HIS A 14 11.409 -3.120 -0.624 1.00 0.00 N ATOM 0 H HIS A 14 9.666 -5.818 -1.909 1.00 0.00 H new ATOM 0 HA HIS A 14 7.675 -4.512 -2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.654 -3.784 -4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.487 -2.732 -3.629 1.00 0.00 H new ATOM 0 HD1 HIS A 14 11.154 -1.602 -3.388 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.864 -4.603 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.632 -1.446 -1.307 1.00 0.00 H new ATOM 127 N LEU A 15 6.179 -5.741 -3.837 1.00 0.00 N ATOM 128 CA LEU A 15 5.175 -6.166 -4.797 1.00 0.00 C ATOM 129 C LEU A 15 5.309 -5.331 -6.072 1.00 0.00 C ATOM 130 O LEU A 15 5.705 -4.167 -6.017 1.00 0.00 O ATOM 131 CB LEU A 15 3.779 -6.113 -4.172 1.00 0.00 C ATOM 132 CG LEU A 15 3.591 -5.105 -3.037 1.00 0.00 C ATOM 133 CD1 LEU A 15 4.058 -5.687 -1.702 1.00 0.00 C ATOM 134 CD2 LEU A 15 4.286 -3.780 -3.359 1.00 0.00 C ATOM 0 H LEU A 15 5.927 -5.894 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 15 5.334 -7.207 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.059 -5.884 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.534 -7.106 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 15 2.526 -4.895 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.913 -4.949 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.479 -6.582 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.115 -5.945 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.137 -3.081 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.353 -3.953 -3.499 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.864 -3.360 -4.272 1.00 0.00 H new ATOM 135 N ARG A 16 4.971 -5.956 -7.189 1.00 0.00 N ATOM 136 CA ARG A 16 5.049 -5.285 -8.476 1.00 0.00 C ATOM 137 C ARG A 16 3.653 -4.870 -8.943 1.00 0.00 C ATOM 138 O ARG A 16 3.428 -3.711 -9.288 1.00 0.00 O ATOM 139 CB ARG A 16 5.684 -6.192 -9.533 1.00 0.00 C ATOM 140 CG ARG A 16 6.994 -6.795 -9.020 1.00 0.00 C ATOM 141 CD ARG A 16 7.458 -7.942 -9.921 1.00 0.00 C ATOM 142 NE ARG A 16 8.932 -8.063 -9.867 1.00 0.00 N ATOM 143 CZ ARG A 16 9.770 -7.401 -10.675 1.00 0.00 C ATOM 144 NH1 ARG A 16 9.285 -6.566 -11.605 1.00 0.00 N ATOM 145 NH2 ARG A 16 11.094 -7.573 -10.555 1.00 0.00 N ATOM 0 H ARG A 16 4.642 -6.921 -7.230 1.00 0.00 H new ATOM 0 HA ARG A 16 5.673 -4.400 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.990 -6.990 -9.797 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.873 -5.621 -10.442 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.763 -6.024 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.857 -7.160 -8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.996 -8.876 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.137 -7.762 -10.947 1.00 0.00 H new ATOM 0 HE ARG A 16 9.335 -8.690 -9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.278 -6.435 -11.697 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.923 -6.062 -12.220 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.464 -8.208 -9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.732 -7.068 -11.171 1.00 0.00 H new ATOM 146 N ALA A 17 2.749 -5.840 -8.940 1.00 0.00 N ATOM 147 CA ALA A 17 1.381 -5.590 -9.359 1.00 0.00 C ATOM 148 C ALA A 17 0.952 -4.201 -8.882 1.00 0.00 C ATOM 149 O ALA A 17 0.120 -3.553 -9.516 1.00 0.00 O ATOM 150 CB ALA A 17 0.472 -6.697 -8.823 1.00 0.00 C ATOM 0 H ALA A 17 2.938 -6.801 -8.654 1.00 0.00 H new ATOM 0 HA ALA A 17 1.304 -5.604 -10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.555 -6.509 -9.138 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.801 -7.660 -9.215 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.521 -6.712 -7.734 1.00 0.00 H new ATOM 151 N CYS A 18 1.539 -3.785 -7.769 1.00 0.00 N ATOM 152 CA CYS A 18 1.227 -2.484 -7.201 1.00 0.00 C ATOM 153 C CYS A 18 1.541 -1.414 -8.248 1.00 0.00 C ATOM 154 O CYS A 18 0.933 -0.345 -8.250 1.00 0.00 O ATOM 155 CB CYS A 18 1.986 -2.243 -5.894 1.00 0.00 C ATOM 156 SG CYS A 18 1.367 -3.196 -4.460 1.00 0.00 S ATOM 0 H CYS A 18 2.228 -4.325 -7.246 1.00 0.00 H new ATOM 0 HA CYS A 18 0.168 -2.440 -6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.036 -2.489 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.940 -1.181 -5.654 1.00 0.00 H new ATOM 157 N GLN A 19 2.490 -1.739 -9.115 1.00 0.00 N ATOM 158 CA GLN A 19 2.890 -0.819 -10.165 1.00 0.00 C ATOM 159 C GLN A 19 1.678 -0.038 -10.679 1.00 0.00 C ATOM 160 O GLN A 19 1.776 1.157 -10.953 1.00 0.00 O ATOM 161 CB GLN A 19 3.589 -1.560 -11.307 1.00 0.00 C ATOM 162 CG GLN A 19 5.037 -1.090 -11.461 1.00 0.00 C ATOM 163 CD GLN A 19 5.462 -1.099 -12.931 1.00 0.00 C ATOM 164 OE1 GLN A 19 4.653 -0.993 -13.838 1.00 0.00 O ATOM 165 NE2 GLN A 19 6.773 -1.232 -13.114 1.00 0.00 N ATOM 0 H GLN A 19 2.993 -2.627 -9.111 1.00 0.00 H new ATOM 0 HA GLN A 19 3.603 -0.109 -9.746 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.570 -2.633 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.048 -1.393 -12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.142 -0.084 -11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.697 -1.738 -10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.394 -1.316 -12.309 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.157 -1.250 -14.059 1.00 0.00 H new ATOM 166 N GLN A 20 0.564 -0.746 -10.794 1.00 0.00 N ATOM 167 CA GLN A 20 -0.665 -0.134 -11.269 1.00 0.00 C ATOM 168 C GLN A 20 -1.283 0.737 -10.173 1.00 0.00 C ATOM 169 O GLN A 20 -1.832 1.801 -10.457 1.00 0.00 O ATOM 170 CB GLN A 20 -1.656 -1.198 -11.749 1.00 0.00 C ATOM 171 CG GLN A 20 -1.889 -1.088 -13.256 1.00 0.00 C ATOM 172 CD GLN A 20 -1.901 -2.471 -13.911 1.00 0.00 C ATOM 173 OE1 GLN A 20 -0.871 -3.079 -14.155 1.00 0.00 O ATOM 174 NE2 GLN A 20 -3.118 -2.933 -14.180 1.00 0.00 N ATOM 0 H GLN A 20 0.487 -1.737 -10.566 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.426 0.504 -12.120 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.275 -2.190 -11.508 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.603 -1.083 -11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.837 -0.584 -13.445 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.107 -0.476 -13.705 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.939 -2.373 -13.950 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.231 -3.848 -14.617 1.00 0.00 H new ATOM 175 N TRP A 21 -1.174 0.253 -8.945 1.00 0.00 N ATOM 176 CA TRP A 21 -1.715 0.975 -7.805 1.00 0.00 C ATOM 177 C TRP A 21 -1.150 2.397 -7.835 1.00 0.00 C ATOM 178 O TRP A 21 -1.902 3.368 -7.764 1.00 0.00 O ATOM 179 CB TRP A 21 -1.414 0.239 -6.497 1.00 0.00 C ATOM 180 CG TRP A 21 -2.072 0.865 -5.266 1.00 0.00 C ATOM 181 CD1 TRP A 21 -2.676 0.241 -4.246 1.00 0.00 C ATOM 182 CD2 TRP A 21 -2.168 2.273 -4.966 1.00 0.00 C ATOM 183 NE1 TRP A 21 -3.152 1.140 -3.313 1.00 0.00 N ATOM 184 CE2 TRP A 21 -2.833 2.415 -3.765 1.00 0.00 C ATOM 185 CE3 TRP A 21 -1.707 3.391 -5.684 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -3.099 3.658 -3.177 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -1.981 4.626 -5.083 1.00 0.00 C ATOM 188 CH2 TRP A 21 -2.649 4.784 -3.875 1.00 0.00 C ATOM 0 H TRP A 21 -0.719 -0.630 -8.714 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.802 1.031 -7.864 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.747 -0.795 -6.589 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -0.335 0.214 -6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.778 -0.831 -4.164 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.647 0.911 -2.451 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -1.183 3.304 -6.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.623 3.743 -2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -1.650 5.518 -5.594 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.820 5.773 -3.476 1.00 0.00 H new ATOM 189 N ILE A 22 0.168 2.473 -7.940 1.00 0.00 N ATOM 190 CA ILE A 22 0.841 3.761 -7.980 1.00 0.00 C ATOM 191 C ILE A 22 0.650 4.389 -9.361 1.00 0.00 C ATOM 192 O ILE A 22 0.124 5.495 -9.477 1.00 0.00 O ATOM 193 CB ILE A 22 2.307 3.611 -7.569 1.00 0.00 C ATOM 194 CG1 ILE A 22 3.079 2.770 -8.589 1.00 0.00 C ATOM 195 CG2 ILE A 22 2.426 3.046 -6.153 1.00 0.00 C ATOM 196 CD1 ILE A 22 3.720 3.656 -9.658 1.00 0.00 C ATOM 0 H ILE A 22 0.788 1.665 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 22 0.399 4.445 -7.256 1.00 0.00 H new ATOM 0 HB ILE A 22 2.761 4.602 -7.558 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.851 2.193 -8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.405 2.055 -9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.479 2.950 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.934 3.719 -5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.950 2.066 -6.111 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.262 3.033 -10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.944 4.214 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.412 4.353 -9.186 1.00 0.00 H new ATOM 197 N ARG A 23 1.086 3.656 -10.374 1.00 0.00 N ATOM 198 CA ARG A 23 0.970 4.128 -11.744 1.00 0.00 C ATOM 199 C ARG A 23 -0.347 4.885 -11.935 1.00 0.00 C ATOM 200 O ARG A 23 -0.345 6.050 -12.329 1.00 0.00 O ATOM 201 CB ARG A 23 1.028 2.963 -12.735 1.00 0.00 C ATOM 202 CG ARG A 23 0.551 3.400 -14.121 1.00 0.00 C ATOM 203 CD ARG A 23 -0.798 2.763 -14.462 1.00 0.00 C ATOM 204 NE ARG A 23 -1.383 3.423 -15.652 1.00 0.00 N ATOM 205 CZ ARG A 23 -2.292 2.854 -16.455 1.00 0.00 C ATOM 206 NH1 ARG A 23 -2.725 1.612 -16.203 1.00 0.00 N ATOM 207 NH2 ARG A 23 -2.767 3.527 -17.512 1.00 0.00 N ATOM 0 H ARG A 23 1.520 2.738 -10.274 1.00 0.00 H new ATOM 0 HA ARG A 23 1.809 4.796 -11.936 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.049 2.586 -12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.407 2.143 -12.375 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.463 4.486 -14.154 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.291 3.117 -14.870 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.669 1.698 -14.653 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.477 2.854 -13.614 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.075 4.370 -15.874 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.363 1.099 -15.399 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.417 1.179 -16.815 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.436 4.472 -17.705 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.459 3.094 -18.123 1.00 0.00 H new ATOM 208 N GLN A 24 -1.438 4.192 -11.645 1.00 0.00 N ATOM 209 CA GLN A 24 -2.758 4.785 -11.780 1.00 0.00 C ATOM 210 C GLN A 24 -2.801 6.148 -11.087 1.00 0.00 C ATOM 211 O GLN A 24 -3.453 7.073 -11.568 1.00 0.00 O ATOM 212 CB GLN A 24 -3.836 3.852 -11.224 1.00 0.00 C ATOM 213 CG GLN A 24 -5.119 3.943 -12.052 1.00 0.00 C ATOM 214 CD GLN A 24 -5.670 2.549 -12.363 1.00 0.00 C ATOM 215 OE1 GLN A 24 -5.205 1.542 -11.855 1.00 0.00 O ATOM 216 NE2 GLN A 24 -6.683 2.548 -13.224 1.00 0.00 N ATOM 0 H GLN A 24 -1.435 3.226 -11.317 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.963 4.933 -12.840 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.470 2.825 -11.226 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.049 4.113 -10.187 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.867 4.521 -11.509 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.919 4.475 -12.982 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.023 3.428 -13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.120 1.667 -13.497 1.00 0.00 H new ATOM 217 N GLN A 25 -2.098 6.229 -9.966 1.00 0.00 N ATOM 218 CA GLN A 25 -2.048 7.463 -9.201 1.00 0.00 C ATOM 219 C GLN A 25 -1.704 8.641 -10.116 1.00 0.00 C ATOM 220 O GLN A 25 -2.530 9.525 -10.334 1.00 0.00 O ATOM 221 CB GLN A 25 -1.048 7.354 -8.048 1.00 0.00 C ATOM 222 CG GLN A 25 -1.426 8.298 -6.905 1.00 0.00 C ATOM 223 CD GLN A 25 -0.742 9.657 -7.067 1.00 0.00 C ATOM 224 OE1 GLN A 25 0.410 9.846 -6.714 1.00 0.00 O ATOM 225 NE2 GLN A 25 -1.514 10.589 -7.618 1.00 0.00 N ATOM 0 H GLN A 25 -1.558 5.460 -9.570 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.033 7.639 -8.768 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.019 6.328 -7.682 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.047 7.593 -8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.508 8.432 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.139 7.854 -5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.471 10.363 -7.891 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.150 11.530 -7.768 1.00 0.00 H new ATOM 226 N LEU A 26 -0.482 8.613 -10.628 1.00 0.00 N ATOM 227 CA LEU A 26 -0.018 9.666 -11.514 1.00 0.00 C ATOM 228 C LEU A 26 -1.064 9.909 -12.603 1.00 0.00 C ATOM 229 O LEU A 26 -1.436 11.050 -12.869 1.00 0.00 O ATOM 230 CB LEU A 26 1.373 9.334 -12.060 1.00 0.00 C ATOM 231 CG LEU A 26 2.423 8.934 -11.021 1.00 0.00 C ATOM 232 CD1 LEU A 26 3.833 9.268 -11.510 1.00 0.00 C ATOM 233 CD2 LEU A 26 2.121 9.570 -9.662 1.00 0.00 C ATOM 0 H LEU A 26 0.201 7.877 -10.446 1.00 0.00 H new ATOM 0 HA LEU A 26 0.095 10.601 -10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.275 8.521 -12.780 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.744 10.201 -12.607 1.00 0.00 H new ATOM 0 HG LEU A 26 2.376 7.853 -10.887 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.560 8.974 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.034 8.729 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.911 10.340 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.882 9.269 -8.942 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.123 10.656 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.142 9.239 -9.315 1.00 0.00 H new ATOM 234 N ALA A 27 -1.509 8.815 -13.204 1.00 0.00 N ATOM 235 CA ALA A 27 -2.506 8.894 -14.259 1.00 0.00 C ATOM 236 C ALA A 27 -3.561 9.935 -13.881 1.00 0.00 C ATOM 237 O ALA A 27 -3.701 10.285 -12.711 1.00 0.00 O ATOM 238 CB ALA A 27 -3.111 7.508 -14.494 1.00 0.00 C ATOM 0 H ALA A 27 -1.198 7.870 -12.981 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.050 9.213 -15.196 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.859 7.567 -15.285 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.325 6.813 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.581 7.156 -13.576 1.00 0.00 H new ATOM 239 N GLY A 28 -4.278 10.400 -14.895 1.00 0.00 N ATOM 240 CA GLY A 28 -5.316 11.393 -14.684 1.00 0.00 C ATOM 241 C GLY A 28 -6.394 11.299 -15.765 1.00 0.00 C ATOM 242 O GLY A 28 -7.464 10.740 -15.533 1.00 0.00 O ATOM 0 H GLY A 28 -4.159 10.106 -15.865 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.767 11.249 -13.702 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.876 12.390 -14.690 1.00 0.00 H new ATOM 243 N SER A 29 -6.073 11.855 -16.925 1.00 0.00 N ATOM 244 CA SER A 29 -7.000 11.841 -18.043 1.00 0.00 C ATOM 245 C SER A 29 -7.730 10.496 -18.100 1.00 0.00 C ATOM 246 O SER A 29 -7.185 9.510 -18.591 1.00 0.00 O ATOM 247 CB SER A 29 -6.275 12.106 -19.363 1.00 0.00 C ATOM 248 OG SER A 29 -6.524 13.421 -19.855 1.00 0.00 O ATOM 0 H SER A 29 -5.184 12.318 -17.114 1.00 0.00 H new ATOM 0 HA SER A 29 -7.728 12.638 -17.893 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.203 11.969 -19.222 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.595 11.375 -20.105 1.00 0.00 H new ATOM 0 HG SER A 29 -6.042 13.551 -20.698 1.00 0.00 H new ATOM 249 N PRO A 30 -8.986 10.503 -17.577 1.00 0.00 N ATOM 250 CA PRO A 30 -9.796 9.297 -17.564 1.00 0.00 C ATOM 251 C PRO A 30 -10.342 8.987 -18.959 1.00 0.00 C ATOM 252 O PRO A 30 -10.757 9.892 -19.682 1.00 0.00 O ATOM 253 CB PRO A 30 -10.891 9.569 -16.545 1.00 0.00 C ATOM 254 CG PRO A 30 -10.929 11.079 -16.368 1.00 0.00 C ATOM 255 CD PRO A 30 -9.665 11.652 -16.987 1.00 0.00 C ATOM 0 HA PRO A 30 -9.225 8.411 -17.289 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.852 9.192 -16.895 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.678 9.070 -15.600 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.813 11.498 -16.849 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.988 11.338 -15.311 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.899 12.403 -17.741 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.042 12.137 -16.236 1.00 0.00 H new ATOM 256 N PHE A 31 -10.324 7.706 -19.296 1.00 0.00 N ATOM 257 CA PHE A 31 -10.811 7.266 -20.592 1.00 0.00 C ATOM 258 C PHE A 31 -11.221 5.792 -20.553 1.00 0.00 C ATOM 259 O PHE A 31 -10.393 4.908 -20.764 1.00 0.00 O ATOM 260 CB PHE A 31 -9.659 7.435 -21.585 1.00 0.00 C ATOM 261 CG PHE A 31 -9.991 8.337 -22.775 1.00 0.00 C ATOM 262 CD1 PHE A 31 -11.031 8.025 -23.596 1.00 0.00 C ATOM 263 CD2 PHE A 31 -9.247 9.450 -23.013 1.00 0.00 C ATOM 264 CE1 PHE A 31 -11.339 8.862 -24.700 1.00 0.00 C ATOM 265 CE2 PHE A 31 -9.556 10.287 -24.118 1.00 0.00 C ATOM 266 CZ PHE A 31 -10.595 9.976 -24.939 1.00 0.00 C ATOM 0 H PHE A 31 -9.980 6.958 -18.694 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.685 7.852 -20.878 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.797 7.847 -21.059 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.366 6.453 -21.957 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.622 7.141 -23.407 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.421 9.697 -22.362 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.165 8.615 -25.351 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.965 11.171 -24.307 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.829 10.612 -25.780 1.00 0.00 H new TER 267 PHE A 31 ATOM 268 N GLN B 1 -25.803 -7.388 -4.417 1.00 0.00 N ATOM 269 CA GLN B 1 -25.164 -8.676 -4.210 1.00 0.00 C ATOM 270 C GLN B 1 -25.589 -9.660 -5.302 1.00 0.00 C ATOM 271 O GLN B 1 -25.382 -10.866 -5.172 1.00 0.00 O ATOM 272 CB GLN B 1 -25.484 -9.230 -2.819 1.00 0.00 C ATOM 273 CG GLN B 1 -26.985 -9.165 -2.535 1.00 0.00 C ATOM 274 CD GLN B 1 -27.251 -8.869 -1.058 1.00 0.00 C ATOM 275 OE1 GLN B 1 -26.345 -8.724 -0.254 1.00 0.00 O ATOM 276 NE2 GLN B 1 -28.542 -8.787 -0.746 1.00 0.00 N ATOM 0 H1 GLN B 1 -25.838 -6.869 -3.516 1.00 0.00 H new ATOM 0 H2 GLN B 1 -25.259 -6.838 -5.113 1.00 0.00 H new ATOM 0 H3 GLN B 1 -26.770 -7.533 -4.770 1.00 0.00 H new ATOM 0 HA GLN B 1 -24.084 -8.538 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN B 1 -25.141 -10.262 -2.747 1.00 0.00 H new ATOM 0 HB3 GLN B 1 -24.942 -8.661 -2.064 1.00 0.00 H new ATOM 0 HG2 GLN B 1 -27.442 -8.392 -3.153 1.00 0.00 H new ATOM 0 HG3 GLN B 1 -27.452 -10.111 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN B 1 -29.250 -8.919 -1.468 1.00 0.00 H new ATOM 0 HE22 GLN B 1 -28.823 -8.592 0.215 1.00 0.00 H new ATOM 277 N SER B 2 -26.173 -9.109 -6.356 1.00 0.00 N ATOM 278 CA SER B 2 -26.628 -9.922 -7.471 1.00 0.00 C ATOM 279 C SER B 2 -25.591 -11.001 -7.788 1.00 0.00 C ATOM 280 O SER B 2 -24.393 -10.790 -7.603 1.00 0.00 O ATOM 281 CB SER B 2 -26.895 -9.063 -8.707 1.00 0.00 C ATOM 282 OG SER B 2 -28.235 -8.579 -8.742 1.00 0.00 O ATOM 0 H SER B 2 -26.342 -8.109 -6.461 1.00 0.00 H new ATOM 0 HA SER B 2 -27.565 -10.400 -7.186 1.00 0.00 H new ATOM 0 HB2 SER B 2 -26.205 -8.220 -8.718 1.00 0.00 H new ATOM 0 HB3 SER B 2 -26.698 -9.649 -9.605 1.00 0.00 H new ATOM 0 HG SER B 2 -28.365 -8.033 -9.546 1.00 0.00 H new ATOM 283 N GLY B 3 -26.089 -12.135 -8.261 1.00 0.00 N ATOM 284 CA GLY B 3 -25.220 -13.247 -8.605 1.00 0.00 C ATOM 285 C GLY B 3 -23.918 -12.751 -9.238 1.00 0.00 C ATOM 286 O GLY B 3 -23.882 -12.433 -10.425 1.00 0.00 O ATOM 0 H GLY B 3 -27.083 -12.307 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY B 3 -24.995 -13.828 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY B 3 -25.734 -13.914 -9.297 1.00 0.00 H new ATOM 287 N PRO B 4 -22.852 -12.699 -8.394 1.00 0.00 N ATOM 288 CA PRO B 4 -21.552 -12.247 -8.858 1.00 0.00 C ATOM 289 C PRO B 4 -20.869 -13.320 -9.708 1.00 0.00 C ATOM 290 O PRO B 4 -21.177 -14.504 -9.583 1.00 0.00 O ATOM 291 CB PRO B 4 -20.778 -11.910 -7.593 1.00 0.00 C ATOM 292 CG PRO B 4 -21.501 -12.621 -6.461 1.00 0.00 C ATOM 293 CD PRO B 4 -22.858 -13.068 -6.981 1.00 0.00 C ATOM 0 HA PRO B 4 -21.618 -11.378 -9.512 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -19.743 -12.245 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -20.753 -10.833 -7.425 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -20.922 -13.479 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -21.620 -11.955 -5.607 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -22.998 -14.141 -6.852 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -23.669 -12.575 -6.446 1.00 0.00 H new ATOM 294 N GLN B 5 -19.956 -12.866 -10.554 1.00 0.00 N ATOM 295 CA GLN B 5 -19.228 -13.773 -11.426 1.00 0.00 C ATOM 296 C GLN B 5 -17.765 -13.867 -10.989 1.00 0.00 C ATOM 297 O GLN B 5 -17.323 -13.118 -10.119 1.00 0.00 O ATOM 298 CB GLN B 5 -19.336 -13.335 -12.888 1.00 0.00 C ATOM 299 CG GLN B 5 -19.365 -11.808 -13.001 1.00 0.00 C ATOM 300 CD GLN B 5 -18.120 -11.188 -12.364 1.00 0.00 C ATOM 301 OE1 GLN B 5 -18.387 -10.285 -11.424 1.00 0.00 O flip ATOM 302 NE2 GLN B 5 -16.992 -11.508 -12.702 1.00 0.00 N flip ATOM 0 H GLN B 5 -19.704 -11.883 -10.654 1.00 0.00 H new ATOM 0 HA GLN B 5 -19.677 -14.763 -11.344 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -18.491 -13.729 -13.453 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -20.240 -13.754 -13.331 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -19.424 -11.518 -14.050 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.259 -11.420 -12.513 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -16.857 -12.209 -13.431 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -16.184 -11.075 -12.256 1.00 0.00 H new ATOM 303 N GLN B 6 -17.052 -14.793 -11.613 1.00 0.00 N ATOM 304 CA GLN B 6 -15.648 -14.995 -11.300 1.00 0.00 C ATOM 305 C GLN B 6 -14.770 -14.171 -12.245 1.00 0.00 C ATOM 306 O GLN B 6 -15.233 -13.714 -13.289 1.00 0.00 O ATOM 307 CB GLN B 6 -15.280 -16.479 -11.364 1.00 0.00 C ATOM 308 CG GLN B 6 -14.734 -16.966 -10.020 1.00 0.00 C ATOM 309 CD GLN B 6 -14.688 -18.495 -9.970 1.00 0.00 C ATOM 310 OE1 GLN B 6 -13.742 -19.127 -10.412 1.00 0.00 O ATOM 311 NE2 GLN B 6 -15.757 -19.051 -9.408 1.00 0.00 N ATOM 0 H GLN B 6 -17.421 -15.412 -12.335 1.00 0.00 H new ATOM 0 HA GLN B 6 -15.470 -14.654 -10.280 1.00 0.00 H new ATOM 0 HB2 GLN B 6 -16.158 -17.064 -11.637 1.00 0.00 H new ATOM 0 HB3 GLN B 6 -14.535 -16.640 -12.143 1.00 0.00 H new ATOM 0 HG2 GLN B 6 -13.734 -16.563 -9.862 1.00 0.00 H new ATOM 0 HG3 GLN B 6 -15.361 -16.591 -9.211 1.00 0.00 H new ATOM 0 HE21 GLN B 6 -16.514 -18.463 -9.059 1.00 0.00 H new ATOM 0 HE22 GLN B 6 -15.821 -20.066 -9.326 1.00 0.00 H new ATOM 312 N GLY B 7 -13.517 -14.007 -11.844 1.00 0.00 N ATOM 313 CA GLY B 7 -12.571 -13.246 -12.642 1.00 0.00 C ATOM 314 C GLY B 7 -11.229 -13.112 -11.920 1.00 0.00 C ATOM 315 O GLY B 7 -11.080 -13.571 -10.789 1.00 0.00 O ATOM 0 H GLY B 7 -13.136 -14.388 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY B 7 -12.423 -13.737 -13.604 1.00 0.00 H new ATOM 0 HA3 GLY B 7 -12.977 -12.256 -12.849 1.00 0.00 H new ATOM 316 N PRO B 8 -10.261 -12.463 -12.620 1.00 0.00 N ATOM 317 CA PRO B 8 -8.936 -12.261 -12.058 1.00 0.00 C ATOM 318 C PRO B 8 -8.953 -11.161 -10.995 1.00 0.00 C ATOM 319 O PRO B 8 -9.759 -10.235 -11.067 1.00 0.00 O ATOM 320 CB PRO B 8 -8.050 -11.926 -13.247 1.00 0.00 C ATOM 321 CG PRO B 8 -8.992 -11.494 -14.360 1.00 0.00 C ATOM 322 CD PRO B 8 -10.402 -11.904 -13.962 1.00 0.00 C ATOM 0 HA PRO B 8 -8.562 -13.142 -11.536 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -7.348 -11.130 -12.999 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.459 -12.790 -13.549 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -8.936 -10.416 -14.511 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -8.710 -11.963 -15.303 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -11.079 -11.050 -13.966 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -10.812 -12.638 -14.656 1.00 0.00 H new ATOM 323 N TRP B 9 -8.054 -11.299 -10.032 1.00 0.00 N ATOM 324 CA TRP B 9 -7.955 -10.329 -8.955 1.00 0.00 C ATOM 325 C TRP B 9 -6.477 -10.169 -8.597 1.00 0.00 C ATOM 326 O TRP B 9 -6.091 -10.344 -7.442 1.00 0.00 O ATOM 327 CB TRP B 9 -8.817 -10.744 -7.761 1.00 0.00 C ATOM 328 CG TRP B 9 -10.168 -11.350 -8.149 1.00 0.00 C ATOM 329 CD1 TRP B 9 -11.181 -10.760 -8.797 1.00 0.00 C ATOM 330 CD2 TRP B 9 -10.613 -12.698 -7.886 1.00 0.00 C ATOM 331 NE1 TRP B 9 -12.243 -11.624 -8.970 1.00 0.00 N ATOM 332 CE2 TRP B 9 -11.887 -12.839 -8.399 1.00 0.00 C ATOM 333 CE3 TRP B 9 -9.961 -13.761 -7.237 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -12.618 -14.031 -8.315 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -10.706 -14.944 -7.162 1.00 0.00 C ATOM 336 CH2 TRP B 9 -11.989 -15.103 -7.673 1.00 0.00 C ATOM 0 H TRP B 9 -7.387 -12.069 -9.975 1.00 0.00 H new ATOM 0 HA TRP B 9 -8.344 -9.361 -9.272 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -8.265 -11.467 -7.161 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -8.989 -9.872 -7.130 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -11.168 -9.736 -9.141 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -13.127 -11.410 -9.432 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -8.965 -13.672 -6.829 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -13.614 -14.118 -8.724 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -10.252 -15.793 -6.673 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -12.498 -16.050 -7.575 1.00 0.00 H new ATOM 337 N LEU B 10 -5.689 -9.837 -9.609 1.00 0.00 N ATOM 338 CA LEU B 10 -4.261 -9.651 -9.416 1.00 0.00 C ATOM 339 C LEU B 10 -4.016 -8.319 -8.702 1.00 0.00 C ATOM 340 O LEU B 10 -3.167 -8.233 -7.817 1.00 0.00 O ATOM 341 CB LEU B 10 -3.518 -9.779 -10.748 1.00 0.00 C ATOM 342 CG LEU B 10 -3.598 -11.146 -11.431 1.00 0.00 C ATOM 343 CD1 LEU B 10 -3.940 -12.244 -10.422 1.00 0.00 C ATOM 344 CD2 LEU B 10 -4.582 -11.116 -12.602 1.00 0.00 C ATOM 0 H LEU B 10 -6.013 -9.692 -10.565 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.859 -10.436 -8.776 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.911 -9.028 -11.434 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.468 -9.539 -10.580 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.616 -11.381 -11.841 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.991 -13.205 -10.933 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.170 -12.283 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.904 -12.027 -9.961 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.620 -12.100 -13.070 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -5.574 -10.849 -12.237 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.254 -10.378 -13.334 1.00 0.00 H new ATOM 345 N ARG B 11 -4.776 -7.315 -9.114 1.00 0.00 N ATOM 346 CA ARG B 11 -4.653 -5.993 -8.525 1.00 0.00 C ATOM 347 C ARG B 11 -5.018 -6.037 -7.040 1.00 0.00 C ATOM 348 O ARG B 11 -4.228 -5.628 -6.190 1.00 0.00 O ATOM 349 CB ARG B 11 -5.559 -4.986 -9.236 1.00 0.00 C ATOM 350 CG ARG B 11 -5.323 -5.008 -10.748 1.00 0.00 C ATOM 351 CD ARG B 11 -6.626 -5.279 -11.503 1.00 0.00 C ATOM 352 NE ARG B 11 -6.595 -6.635 -12.095 1.00 0.00 N ATOM 353 CZ ARG B 11 -7.511 -7.098 -12.972 1.00 0.00 C ATOM 354 NH1 ARG B 11 -8.538 -6.316 -13.367 1.00 0.00 N ATOM 355 NH2 ARG B 11 -7.386 -8.327 -13.438 1.00 0.00 N ATOM 0 H ARG B 11 -5.479 -7.391 -9.849 1.00 0.00 H new ATOM 0 HA ARG B 11 -3.617 -5.675 -8.639 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -6.603 -5.217 -9.024 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.370 -3.985 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.905 -4.054 -11.068 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.590 -5.776 -10.994 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -7.475 -5.189 -10.825 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.764 -4.534 -12.287 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.835 -7.258 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.626 -5.367 -13.003 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.226 -6.674 -14.030 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.606 -8.911 -13.135 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.069 -8.693 -14.101 1.00 0.00 H new ATOM 356 N GLU B 12 -6.215 -6.537 -6.773 1.00 0.00 N ATOM 357 CA GLU B 12 -6.695 -6.641 -5.405 1.00 0.00 C ATOM 358 C GLU B 12 -5.638 -7.304 -4.521 1.00 0.00 C ATOM 359 O GLU B 12 -5.420 -6.883 -3.385 1.00 0.00 O ATOM 360 CB GLU B 12 -8.020 -7.405 -5.345 1.00 0.00 C ATOM 361 CG GLU B 12 -9.191 -6.506 -5.746 1.00 0.00 C ATOM 362 CD GLU B 12 -10.529 -7.175 -5.429 1.00 0.00 C ATOM 363 OE1 GLU B 12 -10.532 -8.038 -4.525 1.00 0.00 O ATOM 364 OE2 GLU B 12 -11.519 -6.808 -6.097 1.00 0.00 O ATOM 0 H GLU B 12 -6.867 -6.875 -7.481 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.877 -5.635 -5.027 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -7.976 -8.268 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.179 -7.786 -4.336 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.122 -5.555 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.135 -6.283 -6.812 1.00 0.00 H new ATOM 365 N GLN B 13 -5.009 -8.331 -5.073 1.00 0.00 N ATOM 366 CA GLN B 13 -3.980 -9.057 -4.349 1.00 0.00 C ATOM 367 C GLN B 13 -2.993 -8.080 -3.707 1.00 0.00 C ATOM 368 O GLN B 13 -2.745 -8.144 -2.504 1.00 0.00 O ATOM 369 CB GLN B 13 -3.256 -10.044 -5.266 1.00 0.00 C ATOM 370 CG GLN B 13 -3.227 -11.444 -4.652 1.00 0.00 C ATOM 371 CD GLN B 13 -4.334 -12.323 -5.238 1.00 0.00 C ATOM 372 OE1 GLN B 13 -5.512 -12.136 -4.982 1.00 0.00 O ATOM 373 NE2 GLN B 13 -3.891 -13.290 -6.036 1.00 0.00 N ATOM 0 H GLN B 13 -5.193 -8.678 -6.014 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.459 -9.633 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -3.755 -10.078 -6.235 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -2.237 -9.700 -5.444 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -2.256 -11.905 -4.835 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -3.348 -11.373 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -2.891 -13.391 -6.208 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -4.551 -13.931 -6.476 1.00 0.00 H new ATOM 374 N CYS B 14 -2.459 -7.197 -4.537 1.00 0.00 N ATOM 375 CA CYS B 14 -1.504 -6.209 -4.066 1.00 0.00 C ATOM 376 C CYS B 14 -2.121 -5.475 -2.874 1.00 0.00 C ATOM 377 O CYS B 14 -1.429 -5.162 -1.906 1.00 0.00 O ATOM 378 CB CYS B 14 -1.095 -5.242 -5.180 1.00 0.00 C ATOM 379 SG CYS B 14 0.711 -5.034 -5.389 1.00 0.00 S ATOM 0 H CYS B 14 -2.670 -7.145 -5.534 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.587 -6.707 -3.751 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -1.518 -5.594 -6.121 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.538 -4.267 -4.977 1.00 0.00 H new ATOM 380 N CYS B 15 -3.418 -5.225 -2.981 1.00 0.00 N ATOM 381 CA CYS B 15 -4.137 -4.535 -1.922 1.00 0.00 C ATOM 382 C CYS B 15 -4.290 -5.495 -0.741 1.00 0.00 C ATOM 383 O CYS B 15 -4.143 -5.092 0.413 1.00 0.00 O ATOM 384 CB CYS B 15 -5.488 -4.007 -2.408 1.00 0.00 C ATOM 385 SG CYS B 15 -6.384 -2.965 -1.200 1.00 0.00 S ATOM 0 H CYS B 15 -3.990 -5.488 -3.784 1.00 0.00 H new ATOM 0 HA CYS B 15 -3.571 -3.659 -1.605 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -5.330 -3.429 -3.319 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -6.119 -4.855 -2.674 1.00 0.00 H new ATOM 386 N ASN B 16 -4.581 -6.745 -1.069 1.00 0.00 N ATOM 387 CA ASN B 16 -4.755 -7.765 -0.049 1.00 0.00 C ATOM 388 C ASN B 16 -3.501 -7.824 0.826 1.00 0.00 C ATOM 389 O ASN B 16 -3.591 -8.048 2.032 1.00 0.00 O ATOM 390 CB ASN B 16 -4.958 -9.144 -0.679 1.00 0.00 C ATOM 391 CG ASN B 16 -6.446 -9.474 -0.808 1.00 0.00 C ATOM 392 OD1 ASN B 16 -7.207 -8.430 -1.122 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -6.875 -10.604 -0.633 1.00 0.00 N flip ATOM 0 H ASN B 16 -4.701 -7.075 -2.027 1.00 0.00 H new ATOM 0 HA ASN B 16 -5.634 -7.506 0.542 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -4.489 -9.171 -1.663 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -4.465 -9.902 -0.070 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -6.235 -11.361 -0.394 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -7.873 -10.791 -0.726 1.00 0.00 H new ATOM 394 N GLU B 17 -2.360 -7.621 0.184 1.00 0.00 N ATOM 395 CA GLU B 17 -1.089 -7.649 0.888 1.00 0.00 C ATOM 396 C GLU B 17 -1.161 -6.781 2.145 1.00 0.00 C ATOM 397 O GLU B 17 -0.746 -7.206 3.222 1.00 0.00 O ATOM 398 CB GLU B 17 0.054 -7.201 -0.025 1.00 0.00 C ATOM 399 CG GLU B 17 0.360 -8.263 -1.083 1.00 0.00 C ATOM 400 CD GLU B 17 0.476 -9.651 -0.449 1.00 0.00 C ATOM 401 OE1 GLU B 17 1.477 -9.866 0.267 1.00 0.00 O ATOM 402 OE2 GLU B 17 -0.441 -10.465 -0.695 1.00 0.00 O ATOM 0 H GLU B 17 -2.289 -7.436 -0.817 1.00 0.00 H new ATOM 0 HA GLU B 17 -0.885 -8.676 1.191 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.212 -6.263 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU B 17 0.946 -7.009 0.571 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -0.427 -8.268 -1.837 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.290 -8.014 -1.595 1.00 0.00 H new ATOM 403 N LEU B 18 -1.688 -5.579 1.966 1.00 0.00 N ATOM 404 CA LEU B 18 -1.819 -4.647 3.073 1.00 0.00 C ATOM 405 C LEU B 18 -2.925 -5.130 4.013 1.00 0.00 C ATOM 406 O LEU B 18 -2.772 -5.084 5.233 1.00 0.00 O ATOM 407 CB LEU B 18 -2.033 -3.224 2.552 1.00 0.00 C ATOM 408 CG LEU B 18 -3.484 -2.748 2.476 1.00 0.00 C ATOM 409 CD1 LEU B 18 -4.123 -2.706 3.866 1.00 0.00 C ATOM 410 CD2 LEU B 18 -3.583 -1.400 1.759 1.00 0.00 C ATOM 0 H LEU B 18 -2.029 -5.229 1.071 1.00 0.00 H new ATOM 0 HA LEU B 18 -0.898 -4.614 3.655 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.479 -2.537 3.192 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -1.596 -3.154 1.556 1.00 0.00 H new ATOM 0 HG LEU B 18 -4.048 -3.469 1.885 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -5.155 -2.364 3.782 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.106 -3.704 4.305 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.564 -2.020 4.503 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.626 -1.085 1.719 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.000 -0.656 2.301 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -3.194 -1.498 0.745 1.00 0.00 H new ATOM 411 N TYR B 19 -4.015 -5.580 3.411 1.00 0.00 N ATOM 412 CA TYR B 19 -5.147 -6.071 4.179 1.00 0.00 C ATOM 413 C TYR B 19 -4.806 -7.390 4.875 1.00 0.00 C ATOM 414 O TYR B 19 -5.265 -7.646 5.988 1.00 0.00 O ATOM 415 CB TYR B 19 -6.268 -6.317 3.168 1.00 0.00 C ATOM 416 CG TYR B 19 -7.573 -5.590 3.496 1.00 0.00 C ATOM 417 CD1 TYR B 19 -7.713 -4.252 3.191 1.00 0.00 C ATOM 418 CD2 TYR B 19 -8.612 -6.273 4.098 1.00 0.00 C ATOM 419 CE1 TYR B 19 -8.941 -3.567 3.499 1.00 0.00 C ATOM 420 CE2 TYR B 19 -9.840 -5.588 4.406 1.00 0.00 C ATOM 421 CZ TYR B 19 -9.943 -4.268 4.092 1.00 0.00 C ATOM 422 OH TYR B 19 -11.104 -3.621 4.384 1.00 0.00 O ATOM 0 H TYR B 19 -4.139 -5.615 2.399 1.00 0.00 H new ATOM 0 HA TYR B 19 -5.429 -5.353 4.949 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -5.928 -6.004 2.181 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -6.465 -7.388 3.113 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -6.901 -3.718 2.721 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -8.503 -7.320 4.337 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.063 -2.520 3.264 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -10.661 -6.110 4.876 1.00 0.00 H new ATOM 0 HH TYR B 19 -11.730 -4.247 4.804 1.00 0.00 H new ATOM 423 N GLN B 20 -4.003 -8.193 4.192 1.00 0.00 N ATOM 424 CA GLN B 20 -3.595 -9.479 4.732 1.00 0.00 C ATOM 425 C GLN B 20 -3.369 -9.374 6.242 1.00 0.00 C ATOM 426 O GLN B 20 -3.748 -10.271 6.993 1.00 0.00 O ATOM 427 CB GLN B 20 -2.341 -9.997 4.024 1.00 0.00 C ATOM 428 CG GLN B 20 -2.709 -10.821 2.789 1.00 0.00 C ATOM 429 CD GLN B 20 -2.116 -12.228 2.872 1.00 0.00 C ATOM 430 OE1 GLN B 20 -1.117 -12.471 3.530 1.00 0.00 O ATOM 431 NE2 GLN B 20 -2.784 -13.140 2.169 1.00 0.00 N ATOM 0 H GLN B 20 -3.624 -7.978 3.270 1.00 0.00 H new ATOM 0 HA GLN B 20 -4.396 -10.197 4.554 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -1.712 -9.157 3.731 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -1.757 -10.608 4.712 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -3.793 -10.884 2.700 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -2.344 -10.321 1.892 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -3.613 -12.869 1.640 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -2.467 -14.109 2.160 1.00 0.00 H new ATOM 432 N GLU B 21 -2.754 -8.271 6.640 1.00 0.00 N ATOM 433 CA GLU B 21 -2.474 -8.036 8.046 1.00 0.00 C ATOM 434 C GLU B 21 -3.489 -7.053 8.634 1.00 0.00 C ATOM 435 O GLU B 21 -4.650 -7.040 8.230 1.00 0.00 O ATOM 436 CB GLU B 21 -1.043 -7.531 8.244 1.00 0.00 C ATOM 437 CG GLU B 21 -0.389 -8.195 9.457 1.00 0.00 C ATOM 438 CD GLU B 21 -0.387 -9.719 9.313 1.00 0.00 C ATOM 439 OE1 GLU B 21 0.132 -10.246 8.318 1.00 0.00 O ATOM 440 OE2 GLU B 21 -0.950 -10.359 10.281 1.00 0.00 O ATOM 0 H GLU B 21 -2.441 -7.530 6.013 1.00 0.00 H new ATOM 0 HA GLU B 21 -2.566 -8.983 8.577 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -0.454 -7.738 7.350 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.051 -6.449 8.378 1.00 0.00 H new ATOM 0 HG2 GLU B 21 0.634 -7.835 9.566 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -0.924 -7.912 10.363 1.00 0.00 H new ATOM 441 N ASP B 22 -3.012 -6.254 9.578 1.00 0.00 N ATOM 442 CA ASP B 22 -3.864 -5.270 10.225 1.00 0.00 C ATOM 443 C ASP B 22 -3.216 -3.888 10.110 1.00 0.00 C ATOM 444 O ASP B 22 -2.439 -3.638 9.190 1.00 0.00 O ATOM 445 CB ASP B 22 -4.041 -5.588 11.710 1.00 0.00 C ATOM 446 CG ASP B 22 -5.484 -5.523 12.218 1.00 0.00 C ATOM 447 OD1 ASP B 22 -6.376 -6.207 11.694 1.00 0.00 O ATOM 448 OD2 ASP B 22 -5.678 -4.718 13.207 1.00 0.00 O ATOM 0 H ASP B 22 -2.048 -6.268 9.910 1.00 0.00 H new ATOM 0 HA ASP B 22 -4.837 -5.289 9.734 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -3.649 -6.587 11.902 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -3.436 -4.891 12.290 1.00 0.00 H new ATOM 449 N GLN B 23 -3.561 -3.029 11.058 1.00 0.00 N ATOM 450 CA GLN B 23 -3.023 -1.679 11.075 1.00 0.00 C ATOM 451 C GLN B 23 -1.504 -1.710 10.893 1.00 0.00 C ATOM 452 O GLN B 23 -0.906 -0.724 10.466 1.00 0.00 O ATOM 453 CB GLN B 23 -3.406 -0.953 12.366 1.00 0.00 C ATOM 454 CG GLN B 23 -3.341 -1.898 13.566 1.00 0.00 C ATOM 455 CD GLN B 23 -3.110 -1.121 14.864 1.00 0.00 C ATOM 456 OE1 GLN B 23 -2.546 -0.038 14.878 1.00 0.00 O ATOM 457 NE2 GLN B 23 -3.576 -1.730 15.951 1.00 0.00 N ATOM 0 H GLN B 23 -4.206 -3.241 11.819 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.457 -1.125 10.243 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -2.734 -0.110 12.526 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -4.413 -0.546 12.273 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -4.269 -2.465 13.638 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -2.537 -2.620 13.422 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -4.038 -2.636 15.870 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -3.471 -1.291 16.866 1.00 0.00 H new ATOM 458 N VAL B 24 -0.924 -2.854 11.226 1.00 0.00 N ATOM 459 CA VAL B 24 0.514 -3.027 11.105 1.00 0.00 C ATOM 460 C VAL B 24 0.969 -2.528 9.733 1.00 0.00 C ATOM 461 O VAL B 24 1.863 -1.688 9.639 1.00 0.00 O ATOM 462 CB VAL B 24 0.889 -4.487 11.365 1.00 0.00 C ATOM 463 CG1 VAL B 24 -0.045 -5.117 12.401 1.00 0.00 C ATOM 464 CG2 VAL B 24 0.890 -5.293 10.065 1.00 0.00 C ATOM 0 H VAL B 24 -1.424 -3.670 11.579 1.00 0.00 H new ATOM 0 HA VAL B 24 1.035 -2.433 11.856 1.00 0.00 H new ATOM 0 HB VAL B 24 1.900 -4.506 11.771 1.00 0.00 H new ATOM 0 HG11 VAL B 24 0.243 -6.155 12.567 1.00 0.00 H new ATOM 0 HG12 VAL B 24 0.027 -4.566 13.339 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -1.071 -5.080 12.036 1.00 0.00 H new ATOM 0 HG21 VAL B 24 1.160 -6.327 10.278 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.103 -5.262 9.617 1.00 0.00 H new ATOM 0 HG23 VAL B 24 1.614 -4.865 9.372 1.00 0.00 H new ATOM 465 N CYS B 25 0.334 -3.067 8.702 1.00 0.00 N ATOM 466 CA CYS B 25 0.662 -2.686 7.339 1.00 0.00 C ATOM 467 C CYS B 25 -0.629 -2.271 6.631 1.00 0.00 C ATOM 468 O CYS B 25 -0.828 -2.588 5.460 1.00 0.00 O ATOM 469 CB CYS B 25 1.383 -3.813 6.596 1.00 0.00 C ATOM 470 SG CYS B 25 0.791 -5.497 6.995 1.00 0.00 S ATOM 0 H CYS B 25 -0.406 -3.764 8.784 1.00 0.00 H new ATOM 0 HA CYS B 25 1.355 -1.844 7.351 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.275 -3.650 5.524 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.448 -3.755 6.821 1.00 0.00 H new ATOM 471 N VAL B 26 -1.473 -1.567 7.373 1.00 0.00 N ATOM 472 CA VAL B 26 -2.738 -1.106 6.830 1.00 0.00 C ATOM 473 C VAL B 26 -2.471 -0.121 5.690 1.00 0.00 C ATOM 474 O VAL B 26 -2.587 -0.477 4.518 1.00 0.00 O ATOM 475 CB VAL B 26 -3.598 -0.508 7.947 1.00 0.00 C ATOM 476 CG1 VAL B 26 -4.223 0.818 7.507 1.00 0.00 C ATOM 477 CG2 VAL B 26 -4.673 -1.497 8.400 1.00 0.00 C ATOM 0 H VAL B 26 -1.305 -1.306 8.344 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.302 -1.940 6.413 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.948 -0.306 8.799 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -4.829 1.222 8.318 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -3.434 1.527 7.256 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.852 0.651 6.633 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.270 -1.048 9.194 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.318 -1.745 7.557 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -4.198 -2.405 8.773 1.00 0.00 H new ATOM 478 N CYS B 27 -2.120 1.098 6.072 1.00 0.00 N ATOM 479 CA CYS B 27 -1.836 2.136 5.096 1.00 0.00 C ATOM 480 C CYS B 27 -0.397 2.612 5.307 1.00 0.00 C ATOM 481 O CYS B 27 0.072 3.509 4.608 1.00 0.00 O ATOM 482 CB CYS B 27 -2.838 3.288 5.188 1.00 0.00 C ATOM 483 SG CYS B 27 -3.233 4.089 3.590 1.00 0.00 S ATOM 0 H CYS B 27 -2.026 1.390 7.045 1.00 0.00 H new ATOM 0 HA CYS B 27 -1.940 1.731 4.089 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -3.762 2.914 5.629 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -2.442 4.042 5.869 1.00 0.00 H new ATOM 484 N PRO B 28 0.280 1.974 6.298 1.00 0.00 N ATOM 485 CA PRO B 28 1.656 2.324 6.610 1.00 0.00 C ATOM 486 C PRO B 28 2.614 1.772 5.554 1.00 0.00 C ATOM 487 O PRO B 28 3.781 2.160 5.505 1.00 0.00 O ATOM 488 CB PRO B 28 1.903 1.749 7.996 1.00 0.00 C ATOM 489 CG PRO B 28 0.820 0.705 8.213 1.00 0.00 C ATOM 490 CD PRO B 28 -0.244 0.907 7.147 1.00 0.00 C ATOM 0 HA PRO B 28 1.829 3.400 6.603 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.895 1.302 8.062 1.00 0.00 H new ATOM 0 HB3 PRO B 28 1.853 2.528 8.757 1.00 0.00 H new ATOM 0 HG2 PRO B 28 1.239 -0.299 8.148 1.00 0.00 H new ATOM 0 HG3 PRO B 28 0.387 0.806 9.208 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -0.412 -0.007 6.577 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -1.200 1.186 7.590 1.00 0.00 H new ATOM 491 N THR B 29 2.087 0.875 4.733 1.00 0.00 N ATOM 492 CA THR B 29 2.882 0.266 3.681 1.00 0.00 C ATOM 493 C THR B 29 2.965 1.196 2.469 1.00 0.00 C ATOM 494 O THR B 29 4.008 1.792 2.209 1.00 0.00 O ATOM 495 CB THR B 29 2.272 -1.100 3.358 1.00 0.00 C ATOM 496 OG1 THR B 29 1.147 -1.192 4.229 1.00 0.00 O ATOM 497 CG2 THR B 29 3.172 -2.260 3.788 1.00 0.00 C ATOM 0 H THR B 29 1.119 0.556 4.775 1.00 0.00 H new ATOM 0 HA THR B 29 3.912 0.111 4.003 1.00 0.00 H new ATOM 0 HB THR B 29 2.080 -1.168 2.287 1.00 0.00 H new ATOM 0 HG1 THR B 29 0.741 -2.080 4.147 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.692 -3.206 3.536 1.00 0.00 H new ATOM 0 HG22 THR B 29 4.129 -2.189 3.271 1.00 0.00 H new ATOM 0 HG23 THR B 29 3.337 -2.213 4.864 1.00 0.00 H new ATOM 498 N LEU B 30 1.850 1.291 1.759 1.00 0.00 N ATOM 499 CA LEU B 30 1.783 2.138 0.580 1.00 0.00 C ATOM 500 C LEU B 30 2.523 3.448 0.857 1.00 0.00 C ATOM 501 O LEU B 30 3.201 3.980 -0.021 1.00 0.00 O ATOM 502 CB LEU B 30 0.330 2.333 0.143 1.00 0.00 C ATOM 503 CG LEU B 30 -0.706 1.454 0.845 1.00 0.00 C ATOM 504 CD1 LEU B 30 -0.447 -0.028 0.567 1.00 0.00 C ATOM 505 CD2 LEU B 30 -0.755 1.757 2.344 1.00 0.00 C ATOM 0 H LEU B 30 0.986 0.795 1.978 1.00 0.00 H new ATOM 0 HA LEU B 30 2.284 1.660 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.060 3.377 0.304 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.266 2.149 -0.929 1.00 0.00 H new ATOM 0 HG LEU B 30 -1.688 1.690 0.436 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -1.198 -0.631 1.078 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -0.503 -0.212 -0.506 1.00 0.00 H new ATOM 0 HD13 LEU B 30 0.544 -0.299 0.931 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -1.499 1.119 2.820 1.00 0.00 H new ATOM 0 HD22 LEU B 30 0.223 1.566 2.786 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -1.023 2.803 2.495 1.00 0.00 H new ATOM 506 N LYS B 31 2.369 3.930 2.081 1.00 0.00 N ATOM 507 CA LYS B 31 3.014 5.169 2.484 1.00 0.00 C ATOM 508 C LYS B 31 4.420 5.226 1.881 1.00 0.00 C ATOM 509 O LYS B 31 4.693 6.052 1.012 1.00 0.00 O ATOM 510 CB LYS B 31 2.992 5.312 4.007 1.00 0.00 C ATOM 511 CG LYS B 31 1.762 6.096 4.466 1.00 0.00 C ATOM 512 CD LYS B 31 1.644 6.089 5.992 1.00 0.00 C ATOM 513 CE LYS B 31 3.019 6.225 6.648 1.00 0.00 C ATOM 514 NZ LYS B 31 2.903 6.133 8.120 1.00 0.00 N ATOM 0 H LYS B 31 1.807 3.486 2.807 1.00 0.00 H new ATOM 0 HA LYS B 31 2.466 6.028 2.098 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.991 4.325 4.469 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.897 5.820 4.341 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.827 7.123 4.108 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.864 5.661 4.026 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.001 6.908 6.314 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.171 5.163 6.320 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.683 5.443 6.280 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.467 7.179 6.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.846 6.227 8.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.286 6.895 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.495 5.212 8.379 1.00 0.00 H new ATOM 515 N GLN B 32 5.274 4.336 2.366 1.00 0.00 N ATOM 516 CA GLN B 32 6.644 4.276 1.886 1.00 0.00 C ATOM 517 C GLN B 32 6.687 3.670 0.482 1.00 0.00 C ATOM 518 O GLN B 32 7.356 4.198 -0.405 1.00 0.00 O ATOM 519 CB GLN B 32 7.529 3.485 2.852 1.00 0.00 C ATOM 520 CG GLN B 32 8.433 2.511 2.094 1.00 0.00 C ATOM 521 CD GLN B 32 9.893 2.969 2.140 1.00 0.00 C ATOM 522 OE1 GLN B 32 10.411 3.245 0.947 1.00 0.00 O flip ATOM 523 NE2 GLN B 32 10.507 3.066 3.190 1.00 0.00 N flip ATOM 0 H GLN B 32 5.044 3.651 3.086 1.00 0.00 H new ATOM 0 HA GLN B 32 7.036 5.292 1.835 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.139 4.172 3.438 1.00 0.00 H new ATOM 0 HB3 GLN B 32 6.904 2.935 3.556 1.00 0.00 H new ATOM 0 HG2 GLN B 32 8.347 1.515 2.529 1.00 0.00 H new ATOM 0 HG3 GLN B 32 8.104 2.436 1.058 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.048 2.838 4.072 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.479 3.375 3.186 1.00 0.00 H new ATOM 524 N ALA B 33 5.967 2.570 0.324 1.00 0.00 N ATOM 525 CA ALA B 33 5.914 1.886 -0.958 1.00 0.00 C ATOM 526 C ALA B 33 5.858 2.923 -2.082 1.00 0.00 C ATOM 527 O ALA B 33 6.558 2.795 -3.084 1.00 0.00 O ATOM 528 CB ALA B 33 4.716 0.936 -0.981 1.00 0.00 C ATOM 0 H ALA B 33 5.415 2.134 1.063 1.00 0.00 H new ATOM 0 HA ALA B 33 6.810 1.284 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.677 0.423 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.819 0.202 -0.182 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.798 1.505 -0.835 1.00 0.00 H new ATOM 529 N ALA B 34 5.019 3.927 -1.876 1.00 0.00 N ATOM 530 CA ALA B 34 4.862 4.985 -2.860 1.00 0.00 C ATOM 531 C ALA B 34 6.108 5.873 -2.850 1.00 0.00 C ATOM 532 O ALA B 34 6.540 6.354 -3.896 1.00 0.00 O ATOM 533 CB ALA B 34 3.583 5.772 -2.565 1.00 0.00 C ATOM 0 H ALA B 34 4.441 4.031 -1.042 1.00 0.00 H new ATOM 0 HA ALA B 34 4.763 4.566 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA B 34 3.466 6.565 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA B 34 2.724 5.102 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA B 34 3.647 6.210 -1.569 1.00 0.00 H new ATOM 534 N LYS B 35 6.650 6.064 -1.656 1.00 0.00 N ATOM 535 CA LYS B 35 7.838 6.886 -1.496 1.00 0.00 C ATOM 536 C LYS B 35 8.729 6.730 -2.729 1.00 0.00 C ATOM 537 O LYS B 35 8.677 7.551 -3.645 1.00 0.00 O ATOM 538 CB LYS B 35 8.545 6.556 -0.180 1.00 0.00 C ATOM 539 CG LYS B 35 9.632 7.586 0.132 1.00 0.00 C ATOM 540 CD LYS B 35 10.983 7.147 -0.437 1.00 0.00 C ATOM 541 CE LYS B 35 12.035 7.040 0.669 1.00 0.00 C ATOM 542 NZ LYS B 35 11.856 5.786 1.435 1.00 0.00 N ATOM 0 H LYS B 35 6.288 5.664 -0.790 1.00 0.00 H new ATOM 0 HA LYS B 35 7.567 7.940 -1.429 1.00 0.00 H new ATOM 0 HB2 LYS B 35 7.818 6.532 0.632 1.00 0.00 H new ATOM 0 HB3 LYS B 35 8.988 5.562 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS B 35 9.353 8.553 -0.288 1.00 0.00 H new ATOM 0 HG3 LYS B 35 9.713 7.719 1.211 1.00 0.00 H new ATOM 0 HD2 LYS B 35 10.876 6.184 -0.936 1.00 0.00 H new ATOM 0 HD3 LYS B 35 11.314 7.862 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.034 7.067 0.233 1.00 0.00 H new ATOM 0 HE3 LYS B 35 11.956 7.897 1.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 12.785 5.358 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 11.383 5.995 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 11.274 5.123 0.884 1.00 0.00 H new ATOM 543 N SER B 36 9.529 5.674 -2.713 1.00 0.00 N ATOM 544 CA SER B 36 10.431 5.401 -3.819 1.00 0.00 C ATOM 545 C SER B 36 9.634 5.221 -5.113 1.00 0.00 C ATOM 546 O SER B 36 10.068 5.655 -6.179 1.00 0.00 O ATOM 547 CB SER B 36 11.281 4.159 -3.543 1.00 0.00 C ATOM 548 OG SER B 36 12.292 4.410 -2.571 1.00 0.00 O ATOM 0 H SER B 36 9.571 4.997 -1.951 1.00 0.00 H new ATOM 0 HA SER B 36 11.103 6.252 -3.929 1.00 0.00 H new ATOM 0 HB2 SER B 36 10.638 3.349 -3.197 1.00 0.00 H new ATOM 0 HB3 SER B 36 11.745 3.824 -4.471 1.00 0.00 H new ATOM 0 HG SER B 36 12.812 3.593 -2.421 1.00 0.00 H new ATOM 549 N VAL B 37 8.482 4.581 -4.976 1.00 0.00 N ATOM 550 CA VAL B 37 7.620 4.339 -6.121 1.00 0.00 C ATOM 551 C VAL B 37 7.691 5.536 -7.070 1.00 0.00 C ATOM 552 O VAL B 37 8.239 5.432 -8.167 1.00 0.00 O ATOM 553 CB VAL B 37 6.197 4.034 -5.649 1.00 0.00 C ATOM 554 CG1 VAL B 37 5.226 5.133 -6.088 1.00 0.00 C ATOM 555 CG2 VAL B 37 5.735 2.663 -6.148 1.00 0.00 C ATOM 0 H VAL B 37 8.125 4.223 -4.090 1.00 0.00 H new ATOM 0 HA VAL B 37 7.959 3.464 -6.676 1.00 0.00 H new ATOM 0 HB VAL B 37 6.204 4.009 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL B 37 4.222 4.892 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL B 37 5.539 6.086 -5.662 1.00 0.00 H new ATOM 0 HG13 VAL B 37 5.225 5.205 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL B 37 4.721 2.471 -5.798 1.00 0.00 H new ATOM 0 HG22 VAL B 37 5.752 2.648 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL B 37 6.403 1.892 -5.764 1.00 0.00 H new ATOM 556 N ARG B 38 7.130 6.647 -6.615 1.00 0.00 N ATOM 557 CA ARG B 38 7.123 7.863 -7.410 1.00 0.00 C ATOM 558 C ARG B 38 8.294 8.764 -7.011 1.00 0.00 C ATOM 559 O ARG B 38 9.436 8.508 -7.392 1.00 0.00 O ATOM 560 CB ARG B 38 5.812 8.632 -7.229 1.00 0.00 C ATOM 561 CG ARG B 38 4.665 7.939 -7.964 1.00 0.00 C ATOM 562 CD ARG B 38 5.048 7.631 -9.414 1.00 0.00 C ATOM 563 NE ARG B 38 5.745 6.329 -9.487 1.00 0.00 N ATOM 564 CZ ARG B 38 6.425 5.894 -10.571 1.00 0.00 C ATOM 565 NH1 ARG B 38 6.503 6.658 -11.682 1.00 0.00 N ATOM 566 NH2 ARG B 38 7.011 4.713 -10.527 1.00 0.00 N ATOM 0 H ARG B 38 6.677 6.730 -5.705 1.00 0.00 H new ATOM 0 HA ARG B 38 7.221 7.576 -8.457 1.00 0.00 H new ATOM 0 HB2 ARG B 38 5.575 8.709 -6.168 1.00 0.00 H new ATOM 0 HB3 ARG B 38 5.928 9.649 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG B 38 4.404 7.014 -7.449 1.00 0.00 H new ATOM 0 HG3 ARG B 38 3.780 8.575 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG B 38 4.155 7.610 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG B 38 5.691 8.420 -9.804 1.00 0.00 H new ATOM 0 HE ARG B 38 5.710 5.721 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG B 38 6.047 7.570 -11.707 1.00 0.00 H new ATOM 0 HH12 ARG B 38 7.018 6.323 -12.496 1.00 0.00 H new ATOM 0 HH21 ARG B 38 6.947 4.143 -9.684 1.00 0.00 H new ATOM 0 HH22 ARG B 38 7.528 4.370 -11.336 1.00 0.00 H new ATOM 567 N VAL B 39 7.971 9.799 -6.250 1.00 0.00 N ATOM 568 CA VAL B 39 8.982 10.739 -5.797 1.00 0.00 C ATOM 569 C VAL B 39 10.280 10.497 -6.568 1.00 0.00 C ATOM 570 O VAL B 39 11.344 10.347 -5.969 1.00 0.00 O ATOM 571 CB VAL B 39 9.157 10.628 -4.281 1.00 0.00 C ATOM 572 CG1 VAL B 39 7.826 10.311 -3.597 1.00 0.00 C ATOM 573 CG2 VAL B 39 10.218 9.584 -3.927 1.00 0.00 C ATOM 0 H VAL B 39 7.023 10.007 -5.936 1.00 0.00 H new ATOM 0 HA VAL B 39 8.670 11.763 -6.001 1.00 0.00 H new ATOM 0 HB VAL B 39 9.501 11.594 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL B 39 7.979 10.238 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL B 39 7.110 11.105 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL B 39 7.440 9.364 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL B 39 10.323 9.525 -2.844 1.00 0.00 H new ATOM 0 HG22 VAL B 39 9.916 8.612 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.172 9.871 -4.369 1.00 0.00 H new ATOM 574 N GLN B 40 10.151 10.464 -7.886 1.00 0.00 N ATOM 575 CA GLN B 40 11.301 10.243 -8.746 1.00 0.00 C ATOM 576 C GLN B 40 10.860 10.145 -10.208 1.00 0.00 C ATOM 577 O GLN B 40 9.707 9.827 -10.493 1.00 0.00 O ATOM 578 CB GLN B 40 12.070 8.989 -8.321 1.00 0.00 C ATOM 579 CG GLN B 40 13.224 8.702 -9.283 1.00 0.00 C ATOM 580 CD GLN B 40 12.728 7.975 -10.534 1.00 0.00 C ATOM 581 OE1 GLN B 40 11.643 7.416 -10.570 1.00 0.00 O ATOM 582 NE2 GLN B 40 13.578 8.013 -11.555 1.00 0.00 N ATOM 0 H GLN B 40 9.267 10.587 -8.380 1.00 0.00 H new ATOM 0 HA GLN B 40 11.974 11.095 -8.646 1.00 0.00 H new ATOM 0 HB2 GLN B 40 12.458 9.121 -7.311 1.00 0.00 H new ATOM 0 HB3 GLN B 40 11.393 8.135 -8.294 1.00 0.00 H new ATOM 0 HG2 GLN B 40 13.705 9.637 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN B 40 13.978 8.096 -8.781 1.00 0.00 H new ATOM 0 HE21 GLN B 40 14.470 8.498 -11.458 1.00 0.00 H new ATOM 0 HE22 GLN B 40 13.338 7.557 -12.435 1.00 0.00 H new ATOM 583 N GLY B 41 11.802 10.427 -11.097 1.00 0.00 N ATOM 584 CA GLY B 41 11.526 10.376 -12.522 1.00 0.00 C ATOM 585 C GLY B 41 10.495 11.435 -12.919 1.00 0.00 C ATOM 586 O GLY B 41 10.532 12.559 -12.422 1.00 0.00 O ATOM 0 H GLY B 41 12.757 10.692 -10.857 1.00 0.00 H new ATOM 0 HA2 GLY B 41 12.449 10.534 -13.081 1.00 0.00 H new ATOM 0 HA3 GLY B 41 11.157 9.386 -12.789 1.00 0.00 H new ATOM 587 N GLN B 42 9.600 11.038 -13.812 1.00 0.00 N ATOM 588 CA GLN B 42 8.561 11.940 -14.281 1.00 0.00 C ATOM 589 C GLN B 42 7.798 12.533 -13.096 1.00 0.00 C ATOM 590 O GLN B 42 6.971 13.427 -13.270 1.00 0.00 O ATOM 591 CB GLN B 42 7.610 11.226 -15.243 1.00 0.00 C ATOM 592 CG GLN B 42 7.697 11.828 -16.648 1.00 0.00 C ATOM 593 CD GLN B 42 9.154 11.963 -17.096 1.00 0.00 C ATOM 594 OE1 GLN B 42 9.914 10.916 -16.788 1.00 0.00 O flip ATOM 595 NE2 GLN B 42 9.559 12.952 -17.684 1.00 0.00 N flip ATOM 0 H GLN B 42 9.573 10.105 -14.223 1.00 0.00 H new ATOM 0 HA GLN B 42 9.034 12.756 -14.828 1.00 0.00 H new ATOM 0 HB2 GLN B 42 7.856 10.165 -15.282 1.00 0.00 H new ATOM 0 HB3 GLN B 42 6.588 11.303 -14.873 1.00 0.00 H new ATOM 0 HG2 GLN B 42 7.153 11.198 -17.352 1.00 0.00 H new ATOM 0 HG3 GLN B 42 7.217 12.807 -16.659 1.00 0.00 H new ATOM 0 HE21 GLN B 42 8.921 13.721 -17.889 1.00 0.00 H new ATOM 0 HE22 GLN B 42 10.536 13.010 -17.971 1.00 0.00 H new ATOM 596 N HIS B 43 8.104 12.013 -11.916 1.00 0.00 N ATOM 597 CA HIS B 43 7.457 12.481 -10.702 1.00 0.00 C ATOM 598 C HIS B 43 8.512 12.738 -9.624 1.00 0.00 C ATOM 599 O HIS B 43 8.550 12.045 -8.609 1.00 0.00 O ATOM 600 CB HIS B 43 6.375 11.498 -10.250 1.00 0.00 C ATOM 601 CG HIS B 43 5.577 11.970 -9.058 1.00 0.00 C ATOM 602 ND1 HIS B 43 5.855 11.926 -7.724 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 4.333 12.568 -9.177 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 4.839 12.468 -7.064 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 3.894 12.866 -7.964 1.00 0.00 N flip ATOM 0 H HIS B 43 8.791 11.272 -11.775 1.00 0.00 H new ATOM 0 HA HIS B 43 6.950 13.426 -10.897 1.00 0.00 H new ATOM 0 HB2 HIS B 43 5.694 11.315 -11.081 1.00 0.00 H new ATOM 0 HB3 HIS B 43 6.843 10.544 -10.006 1.00 0.00 H new ATOM 0 HD2 HIS B 43 3.810 12.759 -10.102 1.00 0.00 H new ATOM 0 HE1 HIS B 43 4.771 12.576 -5.992 1.00 0.00 H new ATOM 0 HE2 HIS B 43 3.005 13.314 -7.741 1.00 0.00 H new ATOM 606 N GLY B 44 9.344 13.736 -9.883 1.00 0.00 N ATOM 607 CA GLY B 44 10.397 14.094 -8.947 1.00 0.00 C ATOM 608 C GLY B 44 9.857 14.986 -7.828 1.00 0.00 C ATOM 609 O GLY B 44 10.549 15.241 -6.843 1.00 0.00 O ATOM 0 H GLY B 44 9.311 14.308 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY B 44 10.831 13.190 -8.519 1.00 0.00 H new ATOM 0 HA3 GLY B 44 11.197 14.612 -9.475 1.00 0.00 H new ATOM 610 N PRO B 45 8.592 15.447 -8.020 1.00 0.00 N ATOM 611 CA PRO B 45 7.951 16.306 -7.037 1.00 0.00 C ATOM 612 C PRO B 45 7.509 15.502 -5.813 1.00 0.00 C ATOM 613 O PRO B 45 6.846 14.475 -5.947 1.00 0.00 O ATOM 614 CB PRO B 45 6.790 16.950 -7.777 1.00 0.00 C ATOM 615 CG PRO B 45 6.543 16.083 -9.001 1.00 0.00 C ATOM 616 CD PRO B 45 7.743 15.167 -9.173 1.00 0.00 C ATOM 0 HA PRO B 45 8.623 17.066 -6.639 1.00 0.00 H new ATOM 0 HB2 PRO B 45 5.902 16.997 -7.146 1.00 0.00 H new ATOM 0 HB3 PRO B 45 7.030 17.973 -8.065 1.00 0.00 H new ATOM 0 HG2 PRO B 45 5.631 15.499 -8.877 1.00 0.00 H new ATOM 0 HG3 PRO B 45 6.406 16.703 -9.887 1.00 0.00 H new ATOM 0 HD2 PRO B 45 7.441 14.120 -9.197 1.00 0.00 H new ATOM 0 HD3 PRO B 45 8.265 15.370 -10.108 1.00 0.00 H new ATOM 617 N PHE B 46 7.894 16.000 -4.648 1.00 0.00 N ATOM 618 CA PHE B 46 7.544 15.341 -3.401 1.00 0.00 C ATOM 619 C PHE B 46 6.268 15.937 -2.804 1.00 0.00 C ATOM 620 O PHE B 46 5.938 17.093 -3.063 1.00 0.00 O ATOM 621 CB PHE B 46 8.704 15.577 -2.430 1.00 0.00 C ATOM 622 CG PHE B 46 10.088 15.389 -3.057 1.00 0.00 C ATOM 623 CD1 PHE B 46 10.553 14.138 -3.316 1.00 0.00 C ATOM 624 CD2 PHE B 46 10.851 16.475 -3.356 1.00 0.00 C ATOM 625 CE1 PHE B 46 11.837 13.964 -3.898 1.00 0.00 C ATOM 626 CE2 PHE B 46 12.135 16.301 -3.937 1.00 0.00 C ATOM 627 CZ PHE B 46 12.601 15.050 -4.195 1.00 0.00 C ATOM 0 H PHE B 46 8.445 16.852 -4.541 1.00 0.00 H new ATOM 0 HA PHE B 46 7.369 14.280 -3.578 1.00 0.00 H new ATOM 0 HB2 PHE B 46 8.631 16.589 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE B 46 8.603 14.894 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE B 46 9.946 13.277 -3.079 1.00 0.00 H new ATOM 0 HD2 PHE B 46 10.480 17.469 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE B 46 12.207 12.970 -4.105 1.00 0.00 H new ATOM 0 HE2 PHE B 46 12.742 17.163 -4.174 1.00 0.00 H new ATOM 0 HZ PHE B 46 13.578 14.918 -4.636 1.00 0.00 H new ATOM 628 N GLN B 47 5.584 15.120 -2.017 1.00 0.00 N ATOM 629 CA GLN B 47 4.350 15.551 -1.382 1.00 0.00 C ATOM 630 C GLN B 47 3.743 14.407 -0.567 1.00 0.00 C ATOM 631 O GLN B 47 2.972 14.642 0.361 1.00 0.00 O ATOM 632 CB GLN B 47 3.354 16.075 -2.418 1.00 0.00 C ATOM 633 CG GLN B 47 3.065 17.562 -2.199 1.00 0.00 C ATOM 634 CD GLN B 47 3.050 18.320 -3.528 1.00 0.00 C ATOM 635 OE1 GLN B 47 4.055 18.836 -3.990 1.00 0.00 O ATOM 636 NE2 GLN B 47 1.858 18.357 -4.116 1.00 0.00 N ATOM 0 H GLN B 47 5.861 14.162 -1.804 1.00 0.00 H new ATOM 0 HA GLN B 47 4.582 16.371 -0.702 1.00 0.00 H new ATOM 0 HB2 GLN B 47 3.753 15.922 -3.421 1.00 0.00 H new ATOM 0 HB3 GLN B 47 2.426 15.507 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN B 47 2.104 17.679 -1.699 1.00 0.00 H new ATOM 0 HG3 GLN B 47 3.821 17.990 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN B 47 1.057 17.904 -3.675 1.00 0.00 H new ATOM 0 HE22 GLN B 47 1.744 18.838 -5.008 1.00 0.00 H new ATOM 637 N SER B 48 4.114 13.193 -0.946 1.00 0.00 N ATOM 638 CA SER B 48 3.617 12.011 -0.262 1.00 0.00 C ATOM 639 C SER B 48 3.539 12.271 1.243 1.00 0.00 C ATOM 640 O SER B 48 2.628 11.789 1.914 1.00 0.00 O ATOM 641 CB SER B 48 4.502 10.796 -0.547 1.00 0.00 C ATOM 642 OG SER B 48 5.496 10.613 0.458 1.00 0.00 O ATOM 0 H SER B 48 4.753 13.002 -1.718 1.00 0.00 H new ATOM 0 HA SER B 48 2.617 11.793 -0.638 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.881 9.902 -0.610 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.985 10.918 -1.517 1.00 0.00 H new ATOM 0 HG SER B 48 5.132 10.061 1.181 1.00 0.00 H new ATOM 643 N THR B 49 4.508 13.033 1.730 1.00 0.00 N ATOM 644 CA THR B 49 4.560 13.362 3.144 1.00 0.00 C ATOM 645 C THR B 49 3.153 13.617 3.686 1.00 0.00 C ATOM 646 O THR B 49 2.742 13.003 4.670 1.00 0.00 O ATOM 647 CB THR B 49 5.503 14.556 3.317 1.00 0.00 C ATOM 648 OG1 THR B 49 6.736 13.968 3.725 1.00 0.00 O ATOM 649 CG2 THR B 49 5.107 15.448 4.494 1.00 0.00 C ATOM 0 H THR B 49 5.262 13.431 1.171 1.00 0.00 H new ATOM 0 HA THR B 49 4.953 12.530 3.729 1.00 0.00 H new ATOM 0 HB THR B 49 5.513 15.147 2.401 1.00 0.00 H new ATOM 0 HG1 THR B 49 7.405 14.671 3.858 1.00 0.00 H new ATOM 0 HG21 THR B 49 5.808 16.279 4.572 1.00 0.00 H new ATOM 0 HG22 THR B 49 4.101 15.835 4.334 1.00 0.00 H new ATOM 0 HG23 THR B 49 5.130 14.866 5.415 1.00 0.00 H new ATOM 650 N ARG B 50 2.452 14.522 3.019 1.00 0.00 N ATOM 651 CA ARG B 50 1.098 14.866 3.421 1.00 0.00 C ATOM 652 C ARG B 50 0.102 13.856 2.846 1.00 0.00 C ATOM 653 O ARG B 50 -0.574 13.151 3.594 1.00 0.00 O ATOM 654 CB ARG B 50 0.722 16.270 2.946 1.00 0.00 C ATOM 655 CG ARG B 50 -0.035 17.033 4.035 1.00 0.00 C ATOM 656 CD ARG B 50 -0.958 18.090 3.424 1.00 0.00 C ATOM 657 NE ARG B 50 -0.313 19.420 3.487 1.00 0.00 N ATOM 658 CZ ARG B 50 -0.983 20.581 3.463 1.00 0.00 C ATOM 659 NH1 ARG B 50 -2.321 20.581 3.380 1.00 0.00 N ATOM 660 NH2 ARG B 50 -0.316 21.741 3.525 1.00 0.00 N ATOM 0 H ARG B 50 2.796 15.028 2.203 1.00 0.00 H new ATOM 0 HA ARG B 50 1.059 14.841 4.510 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.623 16.819 2.672 1.00 0.00 H new ATOM 0 HB3 ARG B 50 0.106 16.202 2.050 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.621 16.335 4.632 1.00 0.00 H new ATOM 0 HG3 ARG B 50 0.675 17.511 4.709 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -1.183 17.834 2.389 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -1.907 18.111 3.960 1.00 0.00 H new ATOM 0 HE ARG B 50 0.704 19.456 3.553 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.829 19.698 3.335 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.831 21.464 3.362 1.00 0.00 H new ATOM 0 HH21 ARG B 50 0.702 21.741 3.590 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -0.826 22.624 3.507 1.00 0.00 H new ATOM 661 N ILE B 51 0.043 13.820 1.524 1.00 0.00 N ATOM 662 CA ILE B 51 -0.860 12.909 0.839 1.00 0.00 C ATOM 663 C ILE B 51 -0.839 11.552 1.546 1.00 0.00 C ATOM 664 O ILE B 51 -1.865 10.879 1.635 1.00 0.00 O ATOM 665 CB ILE B 51 -0.518 12.833 -0.649 1.00 0.00 C ATOM 666 CG1 ILE B 51 -0.424 11.380 -1.117 1.00 0.00 C ATOM 667 CG2 ILE B 51 0.758 13.619 -0.959 1.00 0.00 C ATOM 668 CD1 ILE B 51 -0.692 11.268 -2.619 1.00 0.00 C ATOM 0 H ILE B 51 0.605 14.407 0.908 1.00 0.00 H new ATOM 0 HA ILE B 51 -1.884 13.279 0.887 1.00 0.00 H new ATOM 0 HB ILE B 51 -1.328 13.299 -1.210 1.00 0.00 H new ATOM 0 HG12 ILE B 51 0.566 10.985 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE B 51 -1.143 10.771 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE B 51 0.979 13.549 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE B 51 0.617 14.665 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE B 51 1.589 13.204 -0.388 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -0.619 10.224 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -1.692 11.641 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE B 51 0.044 11.859 -3.165 1.00 0.00 H new ATOM 669 N TYR B 52 0.341 11.190 2.028 1.00 0.00 N ATOM 670 CA TYR B 52 0.509 9.925 2.723 1.00 0.00 C ATOM 671 C TYR B 52 -0.761 9.547 3.489 1.00 0.00 C ATOM 672 O TYR B 52 -1.216 8.406 3.418 1.00 0.00 O ATOM 673 CB TYR B 52 1.647 10.140 3.722 1.00 0.00 C ATOM 674 CG TYR B 52 2.969 9.489 3.310 1.00 0.00 C ATOM 675 CD1 TYR B 52 3.239 9.261 1.977 1.00 0.00 C ATOM 676 CD2 TYR B 52 3.890 9.129 4.273 1.00 0.00 C ATOM 677 CE1 TYR B 52 4.483 8.648 1.589 1.00 0.00 C ATOM 678 CE2 TYR B 52 5.134 8.516 3.885 1.00 0.00 C ATOM 679 CZ TYR B 52 5.369 8.305 2.563 1.00 0.00 C ATOM 680 OH TYR B 52 6.544 7.726 2.196 1.00 0.00 O ATOM 0 H TYR B 52 1.190 11.750 1.951 1.00 0.00 H new ATOM 0 HA TYR B 52 0.720 9.124 2.015 1.00 0.00 H new ATOM 0 HB2 TYR B 52 1.806 11.211 3.851 1.00 0.00 H new ATOM 0 HB3 TYR B 52 1.345 9.743 4.691 1.00 0.00 H new ATOM 0 HD1 TYR B 52 2.518 9.542 1.224 1.00 0.00 H new ATOM 0 HD2 TYR B 52 3.678 9.307 5.317 1.00 0.00 H new ATOM 0 HE1 TYR B 52 4.708 8.465 0.549 1.00 0.00 H new ATOM 0 HE2 TYR B 52 5.864 8.230 4.628 1.00 0.00 H new ATOM 0 HH TYR B 52 7.079 7.536 2.995 1.00 0.00 H new ATOM 681 N GLN B 53 -1.297 10.526 4.202 1.00 0.00 N ATOM 682 CA GLN B 53 -2.506 10.311 4.980 1.00 0.00 C ATOM 683 C GLN B 53 -3.739 10.405 4.080 1.00 0.00 C ATOM 684 O GLN B 53 -4.684 9.632 4.234 1.00 0.00 O ATOM 685 CB GLN B 53 -2.596 11.304 6.140 1.00 0.00 C ATOM 686 CG GLN B 53 -4.032 11.419 6.654 1.00 0.00 C ATOM 687 CD GLN B 53 -4.062 11.981 8.076 1.00 0.00 C ATOM 688 OE1 GLN B 53 -3.854 11.280 9.053 1.00 0.00 O ATOM 689 NE2 GLN B 53 -4.331 13.283 8.137 1.00 0.00 N ATOM 0 H GLN B 53 -0.917 11.471 4.258 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.467 9.309 5.406 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -1.941 10.983 6.950 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -2.243 12.282 5.814 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.608 12.065 5.992 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -4.508 10.439 6.637 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -4.495 13.811 7.280 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.373 13.753 9.041 1.00 0.00 H new ATOM 690 N ILE B 54 -3.692 11.358 3.162 1.00 0.00 N ATOM 691 CA ILE B 54 -4.794 11.563 2.238 1.00 0.00 C ATOM 692 C ILE B 54 -4.740 10.497 1.142 1.00 0.00 C ATOM 693 O ILE B 54 -5.762 9.904 0.799 1.00 0.00 O ATOM 694 CB ILE B 54 -4.784 12.997 1.702 1.00 0.00 C ATOM 695 CG1 ILE B 54 -4.384 13.989 2.796 1.00 0.00 C ATOM 696 CG2 ILE B 54 -6.130 13.354 1.068 1.00 0.00 C ATOM 697 CD1 ILE B 54 -5.496 14.135 3.837 1.00 0.00 C ATOM 0 H ILE B 54 -2.907 11.998 3.038 1.00 0.00 H new ATOM 0 HA ILE B 54 -5.748 11.445 2.751 1.00 0.00 H new ATOM 0 HB ILE B 54 -4.031 13.063 0.917 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -3.469 13.651 3.282 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -4.168 14.960 2.350 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -6.096 14.378 0.695 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -6.335 12.673 0.242 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -6.919 13.266 1.815 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -5.186 14.846 4.603 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -6.403 14.496 3.352 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -5.692 13.167 4.298 1.00 0.00 H new ATOM 698 N ALA B 55 -3.539 10.286 0.625 1.00 0.00 N ATOM 699 CA ALA B 55 -3.339 9.300 -0.424 1.00 0.00 C ATOM 700 C ALA B 55 -4.700 8.858 -0.968 1.00 0.00 C ATOM 701 O ALA B 55 -5.679 9.596 -0.875 1.00 0.00 O ATOM 702 CB ALA B 55 -2.521 8.130 0.123 1.00 0.00 C ATOM 0 H ALA B 55 -2.694 10.781 0.912 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.776 9.730 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -2.371 7.391 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -1.553 8.493 0.469 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -3.054 7.671 0.955 1.00 0.00 H new ATOM 703 N LYS B 56 -4.716 7.655 -1.524 1.00 0.00 N ATOM 704 CA LYS B 56 -5.940 7.105 -2.082 1.00 0.00 C ATOM 705 C LYS B 56 -5.607 5.851 -2.891 1.00 0.00 C ATOM 706 O LYS B 56 -4.855 5.916 -3.862 1.00 0.00 O ATOM 707 CB LYS B 56 -6.691 8.171 -2.881 1.00 0.00 C ATOM 708 CG LYS B 56 -5.716 9.101 -3.607 1.00 0.00 C ATOM 709 CD LYS B 56 -5.880 8.990 -5.125 1.00 0.00 C ATOM 710 CE LYS B 56 -6.505 10.261 -5.702 1.00 0.00 C ATOM 711 NZ LYS B 56 -7.659 10.690 -4.883 1.00 0.00 N ATOM 0 H LYS B 56 -3.901 7.046 -1.600 1.00 0.00 H new ATOM 0 HA LYS B 56 -6.619 6.800 -1.285 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -7.349 7.691 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -7.324 8.753 -2.212 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -5.888 10.131 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -4.693 8.850 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -4.909 8.815 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -6.506 8.131 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -5.760 11.056 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -6.827 10.082 -6.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -8.358 11.164 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -8.096 9.859 -4.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -7.336 11.349 -4.146 1.00 0.00 H new ATOM 712 N ASN B 57 -6.185 4.738 -2.463 1.00 0.00 N ATOM 713 CA ASN B 57 -5.959 3.470 -3.136 1.00 0.00 C ATOM 714 C ASN B 57 -5.576 3.733 -4.594 1.00 0.00 C ATOM 715 O ASN B 57 -4.631 3.137 -5.109 1.00 0.00 O ATOM 716 CB ASN B 57 -7.223 2.609 -3.126 1.00 0.00 C ATOM 717 CG ASN B 57 -7.004 1.321 -2.330 1.00 0.00 C ATOM 718 OD1 ASN B 57 -5.966 0.683 -2.404 1.00 0.00 O ATOM 719 ND2 ASN B 57 -8.036 0.975 -1.566 1.00 0.00 N ATOM 0 H ASN B 57 -6.810 4.688 -1.658 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.162 2.945 -2.610 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -8.048 3.173 -2.691 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -7.508 2.364 -4.149 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -7.988 0.131 -0.996 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -8.876 1.554 -1.550 1.00 0.00 H new ATOM 720 N LEU B 58 -6.330 4.625 -5.218 1.00 0.00 N ATOM 721 CA LEU B 58 -6.082 4.974 -6.607 1.00 0.00 C ATOM 722 C LEU B 58 -6.692 6.346 -6.900 1.00 0.00 C ATOM 723 O LEU B 58 -6.000 7.249 -7.370 1.00 0.00 O ATOM 724 CB LEU B 58 -6.585 3.867 -7.536 1.00 0.00 C ATOM 725 CG LEU B 58 -5.578 2.765 -7.872 1.00 0.00 C ATOM 726 CD1 LEU B 58 -5.792 2.241 -9.293 1.00 0.00 C ATOM 727 CD2 LEU B 58 -4.143 3.246 -7.648 1.00 0.00 C ATOM 0 H LEU B 58 -7.113 5.117 -4.788 1.00 0.00 H new ATOM 0 HA LEU B 58 -5.011 5.054 -6.794 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -7.460 3.405 -7.078 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -6.917 4.325 -8.468 1.00 0.00 H new ATOM 0 HG LEU B 58 -5.747 1.930 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -5.063 1.459 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -6.799 1.833 -9.383 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -5.667 3.057 -10.004 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -3.448 2.444 -7.894 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -3.944 4.107 -8.286 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -4.013 3.531 -6.604 1.00 0.00 H new ATOM 728 N PRO B 59 -8.013 6.464 -6.604 1.00 0.00 N ATOM 729 CA PRO B 59 -8.759 5.346 -6.050 1.00 0.00 C ATOM 730 C PRO B 59 -9.058 4.299 -7.126 1.00 0.00 C ATOM 731 O PRO B 59 -9.008 4.599 -8.319 1.00 0.00 O ATOM 732 CB PRO B 59 -10.015 5.964 -5.458 1.00 0.00 C ATOM 733 CG PRO B 59 -10.151 7.332 -6.106 1.00 0.00 C ATOM 734 CD PRO B 59 -8.832 7.659 -6.786 1.00 0.00 C ATOM 0 HA PRO B 59 -8.200 4.805 -5.286 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.889 5.346 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.934 6.051 -4.375 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.965 7.332 -6.831 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -10.392 8.087 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -8.976 7.882 -7.843 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -8.361 8.533 -6.337 1.00 0.00 H new ATOM 735 N ASN B 60 -9.362 3.095 -6.667 1.00 0.00 N ATOM 736 CA ASN B 60 -9.669 2.003 -7.574 1.00 0.00 C ATOM 737 C ASN B 60 -9.291 0.675 -6.915 1.00 0.00 C ATOM 738 O ASN B 60 -10.143 -0.192 -6.724 1.00 0.00 O ATOM 739 CB ASN B 60 -8.872 2.127 -8.875 1.00 0.00 C ATOM 740 CG ASN B 60 -9.720 2.765 -9.978 1.00 0.00 C ATOM 741 OD1 ASN B 60 -9.339 3.743 -10.602 1.00 0.00 O ATOM 742 ND2 ASN B 60 -10.885 2.159 -10.183 1.00 0.00 N ATOM 0 H ASN B 60 -9.402 2.851 -5.677 1.00 0.00 H new ATOM 0 HA ASN B 60 -10.735 2.041 -7.798 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -7.980 2.729 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -8.535 1.141 -9.195 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -11.523 2.508 -10.899 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -11.141 1.345 -9.625 1.00 0.00 H new ATOM 743 N VAL B 61 -8.014 0.557 -6.584 1.00 0.00 N ATOM 744 CA VAL B 61 -7.514 -0.651 -5.949 1.00 0.00 C ATOM 745 C VAL B 61 -8.672 -1.381 -5.268 1.00 0.00 C ATOM 746 O VAL B 61 -9.288 -2.265 -5.862 1.00 0.00 O ATOM 747 CB VAL B 61 -6.378 -0.303 -4.986 1.00 0.00 C ATOM 748 CG1 VAL B 61 -6.230 -1.374 -3.902 1.00 0.00 C ATOM 749 CG2 VAL B 61 -5.061 -0.101 -5.739 1.00 0.00 C ATOM 0 H VAL B 61 -7.310 1.278 -6.743 1.00 0.00 H new ATOM 0 HA VAL B 61 -7.096 -1.329 -6.693 1.00 0.00 H new ATOM 0 HB VAL B 61 -6.632 0.637 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -5.415 -1.102 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -7.158 -1.448 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -6.011 -2.335 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -4.271 0.145 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -4.801 -1.017 -6.269 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -5.173 0.713 -6.455 1.00 0.00 H new ATOM 750 N CYS B 62 -8.935 -0.985 -4.031 1.00 0.00 N ATOM 751 CA CYS B 62 -10.009 -1.591 -3.264 1.00 0.00 C ATOM 752 C CYS B 62 -11.070 -0.524 -2.996 1.00 0.00 C ATOM 753 O CYS B 62 -12.259 -0.829 -2.926 1.00 0.00 O ATOM 754 CB CYS B 62 -9.492 -2.219 -1.967 1.00 0.00 C ATOM 755 SG CYS B 62 -8.230 -3.525 -2.196 1.00 0.00 S ATOM 0 H CYS B 62 -8.422 -0.252 -3.541 1.00 0.00 H new ATOM 0 HA CYS B 62 -10.452 -2.407 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -9.071 -1.432 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -10.337 -2.641 -1.422 1.00 0.00 H new ATOM 756 N ASN B 63 -10.603 0.709 -2.856 1.00 0.00 N ATOM 757 CA ASN B 63 -11.498 1.824 -2.599 1.00 0.00 C ATOM 758 C ASN B 63 -12.162 1.636 -1.233 1.00 0.00 C ATOM 759 O ASN B 63 -13.294 2.067 -1.025 1.00 0.00 O ATOM 760 CB ASN B 63 -12.603 1.899 -3.655 1.00 0.00 C ATOM 761 CG ASN B 63 -12.157 2.736 -4.855 1.00 0.00 C ATOM 762 OD1 ASN B 63 -11.090 3.327 -4.871 1.00 0.00 O ATOM 763 ND2 ASN B 63 -13.032 2.752 -5.857 1.00 0.00 N ATOM 0 H ASN B 63 -9.616 0.960 -2.916 1.00 0.00 H new ATOM 0 HA ASN B 63 -10.910 2.741 -2.627 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -12.865 0.894 -3.985 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -13.501 2.334 -3.217 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -12.827 3.282 -6.704 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -13.907 2.235 -5.778 1.00 0.00 H new ATOM 764 N MET B 64 -11.427 0.990 -0.338 1.00 0.00 N ATOM 765 CA MET B 64 -11.931 0.739 1.002 1.00 0.00 C ATOM 766 C MET B 64 -11.109 1.496 2.046 1.00 0.00 C ATOM 767 O MET B 64 -10.080 1.005 2.509 1.00 0.00 O ATOM 768 CB MET B 64 -11.873 -0.761 1.296 1.00 0.00 C ATOM 769 CG MET B 64 -12.540 -1.565 0.178 1.00 0.00 C ATOM 770 SD MET B 64 -12.346 -3.313 0.483 1.00 0.00 S ATOM 771 CE MET B 64 -10.583 -3.385 0.759 1.00 0.00 C ATOM 0 H MET B 64 -10.488 0.634 -0.515 1.00 0.00 H new ATOM 0 HA MET B 64 -12.962 1.089 1.055 1.00 0.00 H new ATOM 0 HB2 MET B 64 -10.835 -1.074 1.404 1.00 0.00 H new ATOM 0 HB3 MET B 64 -12.369 -0.969 2.244 1.00 0.00 H new ATOM 0 HG2 MET B 64 -13.599 -1.313 0.120 1.00 0.00 H new ATOM 0 HG3 MET B 64 -12.097 -1.304 -0.783 1.00 0.00 H new ATOM 0 HE1 MET B 64 -10.119 -4.001 -0.011 1.00 0.00 H new ATOM 0 HE2 MET B 64 -10.167 -2.378 0.718 1.00 0.00 H new ATOM 0 HE3 MET B 64 -10.386 -3.819 1.739 1.00 0.00 H new ATOM 772 N LYS B 65 -11.594 2.681 2.390 1.00 0.00 N ATOM 773 CA LYS B 65 -10.917 3.512 3.371 1.00 0.00 C ATOM 774 C LYS B 65 -11.288 3.035 4.777 1.00 0.00 C ATOM 775 O LYS B 65 -10.893 3.649 5.768 1.00 0.00 O ATOM 776 CB LYS B 65 -11.220 4.990 3.123 1.00 0.00 C ATOM 777 CG LYS B 65 -11.375 5.274 1.627 1.00 0.00 C ATOM 778 CD LYS B 65 -11.057 6.737 1.312 1.00 0.00 C ATOM 779 CE LYS B 65 -9.649 7.107 1.784 1.00 0.00 C ATOM 780 NZ LYS B 65 -9.713 8.147 2.835 1.00 0.00 N ATOM 0 H LYS B 65 -12.448 3.085 2.006 1.00 0.00 H new ATOM 0 HA LYS B 65 -9.836 3.413 3.274 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -12.134 5.271 3.647 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.417 5.603 3.532 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -10.711 4.623 1.059 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -12.393 5.043 1.313 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.141 6.908 0.239 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.788 7.384 1.796 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.144 6.222 2.170 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.060 7.468 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -8.750 8.387 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -10.176 8.997 2.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -10.258 7.789 3.645 1.00 0.00 H new ATOM 781 N GLN B 66 -12.042 1.947 4.820 1.00 0.00 N ATOM 782 CA GLN B 66 -12.471 1.382 6.087 1.00 0.00 C ATOM 783 C GLN B 66 -11.259 0.913 6.897 1.00 0.00 C ATOM 784 O GLN B 66 -11.313 0.854 8.123 1.00 0.00 O ATOM 785 CB GLN B 66 -13.461 0.236 5.871 1.00 0.00 C ATOM 786 CG GLN B 66 -12.743 -1.114 5.850 1.00 0.00 C ATOM 787 CD GLN B 66 -13.693 -2.234 5.422 1.00 0.00 C ATOM 788 OE1 GLN B 66 -14.393 -2.143 4.428 1.00 0.00 O ATOM 789 NE2 GLN B 66 -13.679 -3.292 6.228 1.00 0.00 N ATOM 0 H GLN B 66 -12.367 1.441 3.996 1.00 0.00 H new ATOM 0 HA GLN B 66 -12.984 2.160 6.653 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -14.208 0.242 6.665 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -13.993 0.383 4.931 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -11.896 -1.069 5.165 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -12.341 -1.332 6.840 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -13.068 -3.303 7.045 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -14.279 -4.092 6.029 1.00 0.00 H new ATOM 790 N ILE B 67 -10.195 0.592 6.175 1.00 0.00 N ATOM 791 CA ILE B 67 -8.972 0.132 6.811 1.00 0.00 C ATOM 792 C ILE B 67 -7.847 1.129 6.526 1.00 0.00 C ATOM 793 O ILE B 67 -7.272 1.702 7.450 1.00 0.00 O ATOM 794 CB ILE B 67 -8.650 -1.299 6.376 1.00 0.00 C ATOM 795 CG1 ILE B 67 -8.538 -2.228 7.587 1.00 0.00 C ATOM 796 CG2 ILE B 67 -7.392 -1.339 5.506 1.00 0.00 C ATOM 797 CD1 ILE B 67 -9.899 -2.414 8.263 1.00 0.00 C ATOM 0 H ILE B 67 -10.155 0.641 5.157 1.00 0.00 H new ATOM 0 HA ILE B 67 -9.096 0.093 7.893 1.00 0.00 H new ATOM 0 HB ILE B 67 -9.476 -1.663 5.765 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -8.149 -3.196 7.272 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -7.826 -1.815 8.302 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -7.186 -2.368 5.211 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -7.546 -0.730 4.615 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -6.546 -0.948 6.071 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -9.792 -3.078 9.120 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -10.274 -1.447 8.598 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -10.602 -2.849 7.553 1.00 0.00 H new ATOM 798 N GLY B 68 -7.566 1.305 5.243 1.00 0.00 N ATOM 799 CA GLY B 68 -6.520 2.223 4.826 1.00 0.00 C ATOM 800 C GLY B 68 -6.316 2.169 3.311 1.00 0.00 C ATOM 801 O GLY B 68 -6.520 1.127 2.690 1.00 0.00 O ATOM 0 H GLY B 68 -8.044 0.828 4.479 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -6.781 3.238 5.126 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -5.588 1.971 5.331 1.00 0.00 H new ATOM 802 N THR B 69 -5.915 3.305 2.759 1.00 0.00 N ATOM 803 CA THR B 69 -5.681 3.400 1.327 1.00 0.00 C ATOM 804 C THR B 69 -4.487 4.312 1.043 1.00 0.00 C ATOM 805 O THR B 69 -4.473 5.471 1.457 1.00 0.00 O ATOM 806 CB THR B 69 -6.979 3.872 0.668 1.00 0.00 C ATOM 807 OG1 THR B 69 -6.889 3.376 -0.666 1.00 0.00 O ATOM 808 CG2 THR B 69 -7.029 5.392 0.497 1.00 0.00 C ATOM 0 H THR B 69 -5.746 4.167 3.277 1.00 0.00 H new ATOM 0 HA THR B 69 -5.418 2.431 0.902 1.00 0.00 H new ATOM 0 HB THR B 69 -7.830 3.546 1.265 1.00 0.00 H new ATOM 0 HG1 THR B 69 -5.991 3.017 -0.822 1.00 0.00 H new ATOM 0 HG21 THR B 69 -7.970 5.674 0.025 1.00 0.00 H new ATOM 0 HG22 THR B 69 -6.955 5.871 1.473 1.00 0.00 H new ATOM 0 HG23 THR B 69 -6.198 5.715 -0.129 1.00 0.00 H new ATOM 809 N CYS B 70 -3.514 3.757 0.336 1.00 0.00 N ATOM 810 CA CYS B 70 -2.318 4.505 -0.010 1.00 0.00 C ATOM 811 C CYS B 70 -1.632 3.801 -1.182 1.00 0.00 C ATOM 812 O CYS B 70 -1.922 2.641 -1.469 1.00 0.00 O ATOM 813 CB CYS B 70 -1.380 4.660 1.190 1.00 0.00 C ATOM 814 SG CYS B 70 -2.140 5.438 2.662 1.00 0.00 S ATOM 0 H CYS B 70 -3.530 2.797 -0.007 1.00 0.00 H new ATOM 0 HA CYS B 70 -2.593 5.517 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -1.005 3.676 1.470 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -0.519 5.255 0.886 1.00 0.00 H new ATOM 815 N PRO B 71 -0.712 4.553 -1.845 1.00 0.00 N ATOM 816 CA PRO B 71 0.017 4.012 -2.980 1.00 0.00 C ATOM 817 C PRO B 71 1.098 3.032 -2.521 1.00 0.00 C ATOM 818 O PRO B 71 1.880 3.339 -1.623 1.00 0.00 O ATOM 819 CB PRO B 71 0.584 5.227 -3.697 1.00 0.00 C ATOM 820 CG PRO B 71 0.545 6.363 -2.689 1.00 0.00 C ATOM 821 CD PRO B 71 -0.343 5.930 -1.533 1.00 0.00 C ATOM 0 HA PRO B 71 -0.617 3.430 -3.649 1.00 0.00 H new ATOM 0 HB2 PRO B 71 1.603 5.040 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO B 71 -0.006 5.469 -4.581 1.00 0.00 H new ATOM 0 HG2 PRO B 71 1.549 6.593 -2.334 1.00 0.00 H new ATOM 0 HG3 PRO B 71 0.155 7.270 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO B 71 0.186 5.992 -0.582 1.00 0.00 H new ATOM 0 HD3 PRO B 71 -1.224 6.567 -1.450 1.00 0.00 H new ATOM 822 N PHE B 72 1.107 1.870 -3.158 1.00 0.00 N ATOM 823 CA PHE B 72 2.079 0.842 -2.826 1.00 0.00 C ATOM 824 C PHE B 72 3.448 1.166 -3.430 1.00 0.00 C ATOM 825 O PHE B 72 3.772 2.332 -3.651 1.00 0.00 O ATOM 826 CB PHE B 72 1.567 -0.468 -3.427 1.00 0.00 C ATOM 827 CG PHE B 72 0.537 -1.191 -2.558 1.00 0.00 C ATOM 828 CD1 PHE B 72 -0.783 -0.879 -2.666 1.00 0.00 C ATOM 829 CD2 PHE B 72 0.939 -2.145 -1.677 1.00 0.00 C ATOM 830 CE1 PHE B 72 -1.740 -1.549 -1.859 1.00 0.00 C ATOM 831 CE2 PHE B 72 -0.017 -2.815 -0.870 1.00 0.00 C ATOM 832 CZ PHE B 72 -1.336 -2.504 -0.977 1.00 0.00 C ATOM 0 H PHE B 72 0.457 1.618 -3.902 1.00 0.00 H new ATOM 0 HA PHE B 72 2.196 0.775 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE B 72 1.124 -0.260 -4.401 1.00 0.00 H new ATOM 0 HB3 PHE B 72 2.414 -1.133 -3.598 1.00 0.00 H new ATOM 0 HD1 PHE B 72 -1.103 -0.121 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE B 72 1.987 -2.393 -1.591 1.00 0.00 H new ATOM 0 HE1 PHE B 72 -2.788 -1.301 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE B 72 0.304 -3.573 -0.170 1.00 0.00 H new ATOM 0 HZ PHE B 72 -2.063 -3.014 -0.363 1.00 0.00 H new ATOM 833 N ILE B 73 4.213 0.113 -3.680 1.00 0.00 N ATOM 834 CA ILE B 73 5.537 0.271 -4.254 1.00 0.00 C ATOM 835 C ILE B 73 5.571 -0.381 -5.638 1.00 0.00 C ATOM 836 O ILE B 73 4.596 -1.001 -6.059 1.00 0.00 O ATOM 837 CB ILE B 73 6.603 -0.265 -3.296 1.00 0.00 C ATOM 838 CG1 ILE B 73 8.010 0.020 -3.826 1.00 0.00 C ATOM 839 CG2 ILE B 73 6.387 -1.753 -3.013 1.00 0.00 C ATOM 840 CD1 ILE B 73 9.015 0.139 -2.679 1.00 0.00 C ATOM 0 H ILE B 73 3.940 -0.852 -3.495 1.00 0.00 H new ATOM 0 HA ILE B 73 5.767 1.327 -4.394 1.00 0.00 H new ATOM 0 HB ILE B 73 6.505 0.261 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE B 73 8.317 -0.779 -4.501 1.00 0.00 H new ATOM 0 HG13 ILE B 73 8.004 0.943 -4.406 1.00 0.00 H new ATOM 0 HG21 ILE B 73 7.158 -2.109 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE B 73 5.406 -1.899 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE B 73 6.443 -2.313 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE B 73 10.007 0.342 -3.084 1.00 0.00 H new ATOM 0 HD12 ILE B 73 8.719 0.954 -2.019 1.00 0.00 H new ATOM 0 HD13 ILE B 73 9.037 -0.794 -2.116 1.00 0.00 H new ATOM 841 N ALA B 74 6.703 -0.218 -6.307 1.00 0.00 N ATOM 842 CA ALA B 74 6.876 -0.784 -7.633 1.00 0.00 C ATOM 843 C ALA B 74 7.766 -2.024 -7.543 1.00 0.00 C ATOM 844 O ALA B 74 7.877 -2.637 -6.482 1.00 0.00 O ATOM 845 CB ALA B 74 7.451 0.279 -8.570 1.00 0.00 C ATOM 0 H ALA B 74 7.509 0.298 -5.955 1.00 0.00 H new ATOM 0 HA ALA B 74 5.916 -1.097 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA B 74 7.581 -0.145 -9.566 1.00 0.00 H new ATOM 0 HB2 ALA B 74 6.767 1.126 -8.623 1.00 0.00 H new ATOM 0 HB3 ALA B 74 8.416 0.615 -8.190 1.00 0.00 H new ATOM 846 N ILE B 75 8.379 -2.357 -8.669 1.00 0.00 N ATOM 847 CA ILE B 75 9.257 -3.513 -8.731 1.00 0.00 C ATOM 848 C ILE B 75 10.617 -3.149 -8.129 1.00 0.00 C ATOM 849 O ILE B 75 10.686 -2.584 -7.039 1.00 0.00 O ATOM 850 CB ILE B 75 9.341 -4.048 -10.162 1.00 0.00 C ATOM 851 CG1 ILE B 75 10.520 -3.421 -10.913 1.00 0.00 C ATOM 852 CG2 ILE B 75 8.018 -3.843 -10.902 1.00 0.00 C ATOM 853 CD1 ILE B 75 10.420 -1.895 -10.913 1.00 0.00 C ATOM 0 H ILE B 75 8.285 -1.846 -9.547 1.00 0.00 H new ATOM 0 HA ILE B 75 8.852 -4.330 -8.134 1.00 0.00 H new ATOM 0 HB ILE B 75 9.522 -5.122 -10.115 1.00 0.00 H new ATOM 0 HG12 ILE B 75 11.457 -3.728 -10.448 1.00 0.00 H new ATOM 0 HG13 ILE B 75 10.539 -3.788 -11.939 1.00 0.00 H new ATOM 0 HG21 ILE B 75 8.105 -4.232 -11.917 1.00 0.00 H new ATOM 0 HG22 ILE B 75 7.222 -4.372 -10.377 1.00 0.00 H new ATOM 0 HG23 ILE B 75 7.783 -2.779 -10.940 1.00 0.00 H new ATOM 0 HD11 ILE B 75 11.269 -1.475 -11.452 1.00 0.00 H new ATOM 0 HD12 ILE B 75 9.494 -1.591 -11.401 1.00 0.00 H new ATOM 0 HD13 ILE B 75 10.426 -1.530 -9.886 1.00 0.00 H new TER 854 ILE B 75