USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 TYR OH : rot 30:sc= 0.99 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -133:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot -12:sc= 1.05 USER MOD Set 2.2: A 23 HIS : no HD1:sc= 0.769 K(o=1.8,f=-2.3!) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.2: A 76 SER OG : rot -130:sc= 1.22 USER MOD Set 4.1: A 1 MET CE :methyl 161:sc= -0.353 (180deg=-1.03) USER MOD Set 4.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.00455 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -110:sc= 1.11 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 120:sc= -2.2 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.003) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.05) USER MOD Single : A 26 GLN : amide:sc= -0.95 K(o=-0.95,f=-5.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 77:sc= 0.844 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 72:sc= 1.24 USER MOD Single : A 35 CYS SG : rot 150:sc= -0.741 USER MOD Single : A 43 SER OG : rot 180:sc= 0.00392 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 49 THR OG1 : rot -65:sc= 0.999 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -146:sc= 0 (180deg=-1.33!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1 K(o=-1,f=-5.7!) USER MOD Single : A 66 THR OG1 : rot 177:sc= -0.429 USER MOD Single : A 68 SER OG : rot 20:sc= 0.204 USER MOD Single : A 82 THR OG1 : rot 67:sc= 0.579 USER MOD Single : A 91 ASN : amide:sc= 0.259 K(o=0.26,f=-5!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.25) USER MOD Single : A 102 HIS : no HE2:sc= 0.764 K(o=0.76,f=-4.3!) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.14) USER MOD Single : A 105 HIS : no HE2:sc= 0.756 K(o=0.76,f=-2.6!) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.587 3.693 5.448 1.00 0.00 N ATOM 2 CA MET A 1 -13.873 3.620 4.154 1.00 0.00 C ATOM 3 C MET A 1 -12.961 2.403 4.137 1.00 0.00 C ATOM 4 O MET A 1 -12.233 2.165 5.097 1.00 0.00 O ATOM 5 CB MET A 1 -13.049 4.893 3.932 1.00 0.00 C ATOM 6 CG MET A 1 -12.342 4.929 2.588 1.00 0.00 C ATOM 7 SD MET A 1 -13.494 4.880 1.201 1.00 0.00 S ATOM 8 CE MET A 1 -14.445 6.373 1.481 1.00 0.00 C ATOM 0 H1 MET A 1 -14.546 4.666 5.813 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.580 3.415 5.313 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.137 3.049 6.130 1.00 0.00 H new ATOM 0 HA MET A 1 -14.605 3.531 3.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.705 5.760 4.012 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.308 4.980 4.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.738 5.834 2.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.658 4.083 2.518 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.951 6.661 0.559 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.186 6.192 2.260 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.778 7.176 1.794 1.00 0.00 H new ATOM 20 N THR A 2 -12.997 1.630 3.059 1.00 0.00 N ATOM 21 CA THR A 2 -12.156 0.446 2.961 1.00 0.00 C ATOM 22 C THR A 2 -10.834 0.797 2.295 1.00 0.00 C ATOM 23 O THR A 2 -10.700 1.867 1.697 1.00 0.00 O ATOM 24 CB THR A 2 -12.845 -0.687 2.176 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.124 -0.263 0.840 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.137 -1.106 2.858 1.00 0.00 C ATOM 0 H THR A 2 -13.593 1.799 2.249 1.00 0.00 H new ATOM 0 HA THR A 2 -11.976 0.090 3.975 1.00 0.00 H new ATOM 0 HB THR A 2 -12.169 -1.542 2.150 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.091 -0.148 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.607 -1.907 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 2 -13.919 -1.459 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 2 -14.814 -0.253 2.911 1.00 0.00 H new ATOM 34 N PHE A 3 -9.863 -0.096 2.409 1.00 0.00 N ATOM 35 CA PHE A 3 -8.548 0.126 1.830 1.00 0.00 C ATOM 36 C PHE A 3 -8.635 0.240 0.312 1.00 0.00 C ATOM 37 O PHE A 3 -8.016 1.120 -0.285 1.00 0.00 O ATOM 38 CB PHE A 3 -7.597 -1.005 2.225 1.00 0.00 C ATOM 39 CG PHE A 3 -6.201 -0.832 1.690 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.348 0.119 2.232 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.743 -1.620 0.645 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.066 0.279 1.744 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.461 -1.462 0.153 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.623 -0.512 0.702 1.00 0.00 C ATOM 0 H PHE A 3 -9.962 -0.985 2.899 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.157 1.066 2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.555 -1.070 3.312 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.001 -1.951 1.864 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -5.691 0.741 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.394 -2.364 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -3.411 1.021 2.176 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.115 -2.082 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.622 -0.387 0.317 1.00 0.00 H new ATOM 54 N SER A 4 -9.420 -0.637 -0.304 1.00 0.00 N ATOM 55 CA SER A 4 -9.569 -0.634 -1.753 1.00 0.00 C ATOM 56 C SER A 4 -10.236 0.651 -2.235 1.00 0.00 C ATOM 57 O SER A 4 -9.801 1.255 -3.217 1.00 0.00 O ATOM 58 CB SER A 4 -10.380 -1.850 -2.196 1.00 0.00 C ATOM 59 OG SER A 4 -9.754 -3.047 -1.772 1.00 0.00 O ATOM 0 H SER A 4 -9.961 -1.356 0.176 1.00 0.00 H new ATOM 0 HA SER A 4 -8.576 -0.684 -2.199 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.387 -1.793 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.481 -1.851 -3.281 1.00 0.00 H new ATOM 0 HG SER A 4 -10.288 -3.816 -2.063 1.00 0.00 H new ATOM 65 N GLU A 5 -11.276 1.075 -1.530 1.00 0.00 N ATOM 66 CA GLU A 5 -11.994 2.290 -1.880 1.00 0.00 C ATOM 67 C GLU A 5 -11.124 3.523 -1.667 1.00 0.00 C ATOM 68 O GLU A 5 -11.089 4.422 -2.506 1.00 0.00 O ATOM 69 CB GLU A 5 -13.271 2.385 -1.052 1.00 0.00 C ATOM 70 CG GLU A 5 -14.322 1.372 -1.456 1.00 0.00 C ATOM 71 CD GLU A 5 -15.549 1.422 -0.575 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.480 0.933 0.573 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.586 1.949 -1.023 1.00 0.00 O ATOM 0 H GLU A 5 -11.641 0.592 -0.709 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.254 2.249 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.025 2.243 0.000 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.686 3.388 -1.150 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.615 1.551 -2.490 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.891 0.372 -1.416 1.00 0.00 H new ATOM 80 N CYS A 6 -10.413 3.544 -0.551 1.00 0.00 N ATOM 81 CA CYS A 6 -9.509 4.643 -0.232 1.00 0.00 C ATOM 82 C CYS A 6 -8.407 4.743 -1.276 1.00 0.00 C ATOM 83 O CYS A 6 -8.049 5.834 -1.723 1.00 0.00 O ATOM 84 CB CYS A 6 -8.890 4.430 1.144 1.00 0.00 C ATOM 85 SG CYS A 6 -8.067 5.890 1.826 1.00 0.00 S ATOM 0 H CYS A 6 -10.444 2.808 0.155 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.081 5.571 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.671 4.112 1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.168 3.616 1.082 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.634 6.224 2.947 1.00 0.00 H new ATOM 91 N ALA A 7 -7.867 3.592 -1.644 1.00 0.00 N ATOM 92 CA ALA A 7 -6.858 3.516 -2.691 1.00 0.00 C ATOM 93 C ALA A 7 -7.404 4.084 -3.996 1.00 0.00 C ATOM 94 O ALA A 7 -6.730 4.852 -4.681 1.00 0.00 O ATOM 95 CB ALA A 7 -6.394 2.081 -2.885 1.00 0.00 C ATOM 0 H ALA A 7 -8.112 2.692 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.999 4.114 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.640 2.046 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.965 1.708 -1.955 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.243 1.459 -3.168 1.00 0.00 H new ATOM 101 N ALA A 8 -8.639 3.714 -4.317 1.00 0.00 N ATOM 102 CA ALA A 8 -9.302 4.207 -5.517 1.00 0.00 C ATOM 103 C ALA A 8 -9.440 5.726 -5.479 1.00 0.00 C ATOM 104 O ALA A 8 -9.267 6.394 -6.495 1.00 0.00 O ATOM 105 CB ALA A 8 -10.669 3.554 -5.676 1.00 0.00 C ATOM 0 H ALA A 8 -9.202 3.072 -3.760 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.686 3.943 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.151 3.933 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.549 2.474 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.287 3.787 -4.809 1.00 0.00 H new ATOM 111 N LEU A 9 -9.738 6.263 -4.301 1.00 0.00 N ATOM 112 CA LEU A 9 -9.847 7.705 -4.121 1.00 0.00 C ATOM 113 C LEU A 9 -8.523 8.384 -4.457 1.00 0.00 C ATOM 114 O LEU A 9 -8.491 9.388 -5.168 1.00 0.00 O ATOM 115 CB LEU A 9 -10.240 8.038 -2.678 1.00 0.00 C ATOM 116 CG LEU A 9 -11.592 7.492 -2.218 1.00 0.00 C ATOM 117 CD1 LEU A 9 -11.783 7.746 -0.735 1.00 0.00 C ATOM 118 CD2 LEU A 9 -12.723 8.130 -3.007 1.00 0.00 C ATOM 0 H LEU A 9 -9.909 5.719 -3.455 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.620 8.074 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.468 7.653 -2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.248 9.122 -2.564 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.608 6.417 -2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.749 7.353 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.990 7.250 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.747 8.818 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.677 7.728 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.708 9.209 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.596 7.910 -4.067 1.00 0.00 H new ATOM 130 N TYR A 10 -7.437 7.816 -3.947 1.00 0.00 N ATOM 131 CA TYR A 10 -6.098 8.332 -4.204 1.00 0.00 C ATOM 132 C TYR A 10 -5.780 8.305 -5.698 1.00 0.00 C ATOM 133 O TYR A 10 -5.314 9.294 -6.268 1.00 0.00 O ATOM 134 CB TYR A 10 -5.066 7.494 -3.442 1.00 0.00 C ATOM 135 CG TYR A 10 -3.629 7.892 -3.711 1.00 0.00 C ATOM 136 CD1 TYR A 10 -2.997 8.859 -2.937 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.907 7.305 -4.746 1.00 0.00 C ATOM 138 CE1 TYR A 10 -1.690 9.229 -3.189 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.604 7.673 -5.002 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.000 8.634 -4.223 1.00 0.00 C ATOM 141 OH TYR A 10 0.297 9.002 -4.483 1.00 0.00 O ATOM 0 H TYR A 10 -7.459 6.991 -3.348 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.057 9.366 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.262 7.579 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.197 6.445 -3.707 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -3.536 9.328 -2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.376 6.549 -5.358 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.211 9.981 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.059 7.209 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 10 0.637 8.486 -5.243 1.00 0.00 H new ATOM 151 N ILE A 11 -6.026 7.157 -6.312 1.00 0.00 N ATOM 152 CA ILE A 11 -5.744 6.957 -7.727 1.00 0.00 C ATOM 153 C ILE A 11 -6.559 7.917 -8.592 1.00 0.00 C ATOM 154 O ILE A 11 -6.014 8.572 -9.480 1.00 0.00 O ATOM 155 CB ILE A 11 -6.024 5.495 -8.139 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.097 4.558 -7.357 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.842 5.307 -9.639 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.413 3.090 -7.540 1.00 0.00 C ATOM 0 H ILE A 11 -6.425 6.341 -5.847 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.687 7.168 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.060 5.253 -7.901 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.068 4.739 -7.667 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.159 4.803 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.045 4.269 -9.903 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.532 5.959 -10.174 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.818 5.558 -9.916 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.714 2.492 -6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.430 2.892 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.323 2.827 -8.594 1.00 0.00 H new ATOM 170 N LYS A 12 -7.853 8.020 -8.309 1.00 0.00 N ATOM 171 CA LYS A 12 -8.729 8.919 -9.051 1.00 0.00 C ATOM 172 C LYS A 12 -8.315 10.376 -8.857 1.00 0.00 C ATOM 173 O LYS A 12 -8.451 11.193 -9.762 1.00 0.00 O ATOM 174 CB LYS A 12 -10.194 8.714 -8.649 1.00 0.00 C ATOM 175 CG LYS A 12 -10.747 7.356 -9.057 1.00 0.00 C ATOM 176 CD LYS A 12 -12.233 7.239 -8.759 1.00 0.00 C ATOM 177 CE LYS A 12 -12.768 5.877 -9.170 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.249 5.796 -9.073 1.00 0.00 N ATOM 0 H LYS A 12 -8.318 7.492 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.630 8.679 -10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.286 8.826 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.801 9.497 -9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.576 7.199 -10.122 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.207 6.570 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.407 7.395 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.776 8.022 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.462 5.664 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.323 5.109 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.565 4.849 -9.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.543 5.973 -8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.677 6.510 -9.696 1.00 0.00 H new ATOM 192 N ALA A 13 -7.802 10.695 -7.679 1.00 0.00 N ATOM 193 CA ALA A 13 -7.333 12.047 -7.398 1.00 0.00 C ATOM 194 C ALA A 13 -6.090 12.395 -8.220 1.00 0.00 C ATOM 195 O ALA A 13 -5.710 13.562 -8.319 1.00 0.00 O ATOM 196 CB ALA A 13 -7.042 12.205 -5.915 1.00 0.00 C ATOM 0 H ALA A 13 -7.699 10.041 -6.903 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.125 12.739 -7.684 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.693 13.219 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -7.951 12.018 -5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.273 11.492 -5.617 1.00 0.00 H new ATOM 202 N HIS A 14 -5.457 11.383 -8.807 1.00 0.00 N ATOM 203 CA HIS A 14 -4.245 11.596 -9.592 1.00 0.00 C ATOM 204 C HIS A 14 -4.393 11.085 -11.023 1.00 0.00 C ATOM 205 O HIS A 14 -3.418 11.049 -11.767 1.00 0.00 O ATOM 206 CB HIS A 14 -3.040 10.917 -8.934 1.00 0.00 C ATOM 207 CG HIS A 14 -2.458 11.680 -7.787 1.00 0.00 C ATOM 208 ND1 HIS A 14 -1.828 11.075 -6.719 1.00 0.00 N ATOM 209 CD2 HIS A 14 -2.388 13.013 -7.554 1.00 0.00 C ATOM 210 CE1 HIS A 14 -1.399 12.002 -5.882 1.00 0.00 C ATOM 211 NE2 HIS A 14 -1.726 13.185 -6.365 1.00 0.00 N ATOM 0 H HIS A 14 -5.762 10.411 -8.754 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.081 12.673 -9.627 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.340 9.929 -8.584 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.266 10.767 -9.686 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.781 13.795 -8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.870 11.822 -4.958 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.520 14.082 -5.926 1.00 0.00 H new ATOM 220 N ARG A 15 -5.604 10.708 -11.422 1.00 0.00 N ATOM 221 CA ARG A 15 -5.826 10.213 -12.781 1.00 0.00 C ATOM 222 C ARG A 15 -5.639 11.335 -13.798 1.00 0.00 C ATOM 223 O ARG A 15 -5.297 11.092 -14.954 1.00 0.00 O ATOM 224 CB ARG A 15 -7.220 9.596 -12.926 1.00 0.00 C ATOM 225 CG ARG A 15 -8.352 10.562 -12.628 1.00 0.00 C ATOM 226 CD ARG A 15 -9.708 9.904 -12.807 1.00 0.00 C ATOM 227 NE ARG A 15 -10.768 10.654 -12.136 1.00 0.00 N ATOM 228 CZ ARG A 15 -12.043 10.658 -12.525 1.00 0.00 C ATOM 229 NH1 ARG A 15 -12.416 10.012 -13.623 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.939 11.323 -11.813 1.00 0.00 N ATOM 0 H ARG A 15 -6.438 10.734 -10.835 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.088 9.435 -12.975 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.336 9.218 -13.942 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.300 8.740 -12.256 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.258 10.931 -11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.276 11.427 -13.287 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.936 9.824 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.675 8.889 -12.411 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.516 11.209 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.725 9.507 -14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.394 10.021 -13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.652 11.827 -10.974 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.917 11.331 -12.103 1.00 0.00 H new ATOM 244 N SER A 16 -5.860 12.566 -13.352 1.00 0.00 N ATOM 245 CA SER A 16 -5.635 13.733 -14.173 1.00 0.00 C ATOM 246 C SER A 16 -4.138 13.970 -14.359 1.00 0.00 C ATOM 247 O SER A 16 -3.704 14.550 -15.353 1.00 0.00 O ATOM 248 CB SER A 16 -6.285 14.943 -13.509 1.00 0.00 C ATOM 249 OG SER A 16 -7.682 14.754 -13.349 1.00 0.00 O ATOM 0 H SER A 16 -6.199 12.775 -12.413 1.00 0.00 H new ATOM 0 HA SER A 16 -6.079 13.576 -15.156 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.826 15.117 -12.536 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.103 15.833 -14.112 1.00 0.00 H new ATOM 0 HG SER A 16 -8.072 15.544 -12.920 1.00 0.00 H new ATOM 255 N SER A 17 -3.356 13.509 -13.396 1.00 0.00 N ATOM 256 CA SER A 17 -1.914 13.645 -13.443 1.00 0.00 C ATOM 257 C SER A 17 -1.306 12.508 -14.262 1.00 0.00 C ATOM 258 O SER A 17 -0.290 12.677 -14.938 1.00 0.00 O ATOM 259 CB SER A 17 -1.364 13.612 -12.018 1.00 0.00 C ATOM 260 OG SER A 17 -2.317 14.131 -11.101 1.00 0.00 O ATOM 0 H SER A 17 -3.704 13.032 -12.564 1.00 0.00 H new ATOM 0 HA SER A 17 -1.653 14.592 -13.915 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.109 12.588 -11.745 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.445 14.195 -11.964 1.00 0.00 H new ATOM 0 HG SER A 17 -1.948 14.100 -10.194 1.00 0.00 H new ATOM 266 N TRP A 18 -1.955 11.354 -14.201 1.00 0.00 N ATOM 267 CA TRP A 18 -1.463 10.152 -14.856 1.00 0.00 C ATOM 268 C TRP A 18 -2.118 9.943 -16.222 1.00 0.00 C ATOM 269 O TRP A 18 -2.464 8.819 -16.596 1.00 0.00 O ATOM 270 CB TRP A 18 -1.715 8.936 -13.966 1.00 0.00 C ATOM 271 CG TRP A 18 -0.986 8.984 -12.654 1.00 0.00 C ATOM 272 CD1 TRP A 18 0.153 9.685 -12.366 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.336 8.280 -11.457 1.00 0.00 C ATOM 274 NE1 TRP A 18 0.522 9.466 -11.062 1.00 0.00 N ATOM 275 CE2 TRP A 18 -0.375 8.606 -10.482 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.372 7.411 -11.112 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -0.419 8.090 -9.189 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.416 6.899 -9.830 1.00 0.00 C ATOM 279 CH2 TRP A 18 -1.445 7.239 -8.882 1.00 0.00 C ATOM 0 H TRP A 18 -2.833 11.225 -13.698 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.392 10.274 -15.017 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.785 8.853 -13.774 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.417 8.036 -14.504 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.684 10.318 -13.062 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.333 9.877 -10.599 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.127 7.143 -11.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 0.329 8.352 -8.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.214 6.225 -9.555 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.507 6.821 -7.888 1.00 0.00 H new ATOM 290 N LYS A 19 -2.246 11.013 -16.982 1.00 0.00 N ATOM 291 CA LYS A 19 -2.764 10.930 -18.326 1.00 0.00 C ATOM 292 C LYS A 19 -1.720 11.458 -19.257 1.00 0.00 C ATOM 293 O LYS A 19 -1.164 12.537 -19.045 1.00 0.00 O ATOM 294 CB LYS A 19 -4.094 11.683 -18.480 1.00 0.00 C ATOM 295 CG LYS A 19 -4.027 13.167 -18.152 1.00 0.00 C ATOM 296 CD LYS A 19 -5.379 13.835 -18.347 1.00 0.00 C ATOM 297 CE LYS A 19 -5.340 15.307 -17.972 1.00 0.00 C ATOM 298 NZ LYS A 19 -6.675 15.942 -18.107 1.00 0.00 N ATOM 0 H LYS A 19 -1.995 11.956 -16.685 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.985 9.890 -18.567 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.445 11.567 -19.506 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.837 11.215 -17.834 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.698 13.300 -17.121 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.285 13.650 -18.788 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.688 13.733 -19.387 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.127 13.325 -17.740 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.989 15.412 -16.945 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.624 15.826 -18.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.610 16.946 -17.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.999 15.863 -19.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.353 15.462 -17.481 1.00 0.00 H new ATOM 312 N ASN A 20 -1.409 10.682 -20.261 1.00 0.00 N ATOM 313 CA ASN A 20 -2.139 9.464 -20.582 1.00 0.00 C ATOM 314 C ASN A 20 -1.271 8.242 -20.311 1.00 0.00 C ATOM 315 O ASN A 20 -0.414 7.877 -21.118 1.00 0.00 O ATOM 316 CB ASN A 20 -2.594 9.499 -22.051 1.00 0.00 C ATOM 317 CG ASN A 20 -3.154 8.175 -22.545 1.00 0.00 C ATOM 318 OD1 ASN A 20 -4.320 7.856 -22.320 1.00 0.00 O ATOM 319 ND2 ASN A 20 -2.338 7.411 -23.254 1.00 0.00 N ATOM 0 H ASN A 20 -0.632 10.873 -20.894 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.023 9.399 -19.948 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.353 10.272 -22.169 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.749 9.783 -22.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.671 6.525 -23.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.377 7.708 -23.420 1.00 0.00 H new ATOM 326 N THR A 21 -1.460 7.657 -19.140 1.00 0.00 N ATOM 327 CA THR A 21 -0.732 6.456 -18.758 1.00 0.00 C ATOM 328 C THR A 21 -1.674 5.396 -18.187 1.00 0.00 C ATOM 329 O THR A 21 -2.628 5.717 -17.476 1.00 0.00 O ATOM 330 CB THR A 21 0.361 6.761 -17.714 1.00 0.00 C ATOM 331 OG1 THR A 21 -0.223 7.361 -16.553 1.00 0.00 O ATOM 332 CG2 THR A 21 1.428 7.686 -18.279 1.00 0.00 C ATOM 0 H THR A 21 -2.114 7.995 -18.434 1.00 0.00 H new ATOM 0 HA THR A 21 -0.263 6.076 -19.666 1.00 0.00 H new ATOM 0 HB THR A 21 0.834 5.817 -17.444 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.147 7.622 -16.749 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.182 7.880 -17.516 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.898 7.215 -19.143 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.970 8.627 -18.583 1.00 0.00 H new ATOM 340 N LYS A 22 -1.401 4.132 -18.496 1.00 0.00 N ATOM 341 CA LYS A 22 -2.187 3.029 -17.963 1.00 0.00 C ATOM 342 C LYS A 22 -1.664 2.551 -16.614 1.00 0.00 C ATOM 343 O LYS A 22 -2.245 1.647 -16.015 1.00 0.00 O ATOM 344 CB LYS A 22 -2.215 1.844 -18.928 1.00 0.00 C ATOM 345 CG LYS A 22 -3.361 1.890 -19.921 1.00 0.00 C ATOM 346 CD LYS A 22 -3.650 0.508 -20.495 1.00 0.00 C ATOM 347 CE LYS A 22 -3.935 -0.514 -19.395 1.00 0.00 C ATOM 348 NZ LYS A 22 -5.213 -0.248 -18.675 1.00 0.00 N ATOM 0 H LYS A 22 -0.640 3.848 -19.113 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.198 3.416 -17.832 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.273 1.811 -19.476 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.282 0.921 -18.353 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.254 2.277 -19.431 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.117 2.579 -20.730 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.505 0.565 -21.168 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.799 0.175 -21.089 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.971 -1.512 -19.833 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.113 -0.510 -18.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.298 -0.897 -17.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.221 0.734 -18.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.013 -0.395 -19.322 1.00 0.00 H new ATOM 362 N HIS A 23 -0.570 3.138 -16.132 1.00 0.00 N ATOM 363 CA HIS A 23 -0.016 2.731 -14.846 1.00 0.00 C ATOM 364 C HIS A 23 -1.014 2.983 -13.718 1.00 0.00 C ATOM 365 O HIS A 23 -0.997 2.285 -12.716 1.00 0.00 O ATOM 366 CB HIS A 23 1.374 3.348 -14.559 1.00 0.00 C ATOM 367 CG HIS A 23 1.448 4.842 -14.406 1.00 0.00 C ATOM 368 ND1 HIS A 23 2.315 5.626 -15.140 1.00 0.00 N ATOM 369 CD2 HIS A 23 0.834 5.683 -13.541 1.00 0.00 C ATOM 370 CE1 HIS A 23 2.231 6.877 -14.730 1.00 0.00 C ATOM 371 NE2 HIS A 23 1.340 6.940 -13.760 1.00 0.00 N ATOM 0 H HIS A 23 -0.059 3.884 -16.604 1.00 0.00 H new ATOM 0 HA HIS A 23 0.157 1.656 -14.900 1.00 0.00 H new ATOM 0 HB2 HIS A 23 1.761 2.896 -13.646 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.045 3.058 -15.368 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.084 5.414 -12.812 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.797 7.709 -15.123 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.071 7.784 -13.255 1.00 0.00 H new ATOM 380 N ALA A 24 -1.890 3.972 -13.896 1.00 0.00 N ATOM 381 CA ALA A 24 -2.968 4.226 -12.938 1.00 0.00 C ATOM 382 C ALA A 24 -3.834 2.977 -12.749 1.00 0.00 C ATOM 383 O ALA A 24 -4.206 2.622 -11.631 1.00 0.00 O ATOM 384 CB ALA A 24 -3.822 5.388 -13.417 1.00 0.00 C ATOM 0 H ALA A 24 -1.875 4.609 -14.692 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.523 4.481 -11.976 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.622 5.572 -12.700 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.204 6.281 -13.507 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.254 5.146 -14.388 1.00 0.00 H new ATOM 390 N ASP A 25 -4.137 2.316 -13.860 1.00 0.00 N ATOM 391 CA ASP A 25 -4.911 1.072 -13.853 1.00 0.00 C ATOM 392 C ASP A 25 -4.120 -0.031 -13.169 1.00 0.00 C ATOM 393 O ASP A 25 -4.651 -0.793 -12.362 1.00 0.00 O ATOM 394 CB ASP A 25 -5.242 0.673 -15.294 1.00 0.00 C ATOM 395 CG ASP A 25 -5.940 -0.667 -15.420 1.00 0.00 C ATOM 396 OD1 ASP A 25 -7.008 -0.863 -14.799 1.00 0.00 O ATOM 397 OD2 ASP A 25 -5.443 -1.513 -16.192 1.00 0.00 O ATOM 0 H ASP A 25 -3.856 2.623 -14.791 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.838 1.225 -13.301 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.874 1.443 -15.737 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.319 0.646 -15.873 1.00 0.00 H new ATOM 402 N GLN A 26 -2.835 -0.087 -13.491 1.00 0.00 N ATOM 403 CA GLN A 26 -1.921 -1.045 -12.885 1.00 0.00 C ATOM 404 C GLN A 26 -1.834 -0.853 -11.371 1.00 0.00 C ATOM 405 O GLN A 26 -1.665 -1.819 -10.627 1.00 0.00 O ATOM 406 CB GLN A 26 -0.535 -0.913 -13.514 1.00 0.00 C ATOM 407 CG GLN A 26 -0.462 -1.404 -14.952 1.00 0.00 C ATOM 408 CD GLN A 26 -0.555 -2.917 -15.071 1.00 0.00 C ATOM 409 OE1 GLN A 26 -1.179 -3.588 -14.246 1.00 0.00 O ATOM 410 NE2 GLN A 26 0.071 -3.462 -16.102 1.00 0.00 N ATOM 0 H GLN A 26 -2.398 0.528 -14.177 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.308 -2.047 -13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.230 0.133 -13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.181 -1.473 -12.912 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.270 -0.950 -15.526 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.474 -1.067 -15.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.576 -2.871 -16.762 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.048 -4.473 -16.236 1.00 0.00 H new ATOM 419 N TRP A 27 -1.948 0.394 -10.919 1.00 0.00 N ATOM 420 CA TRP A 27 -1.997 0.686 -9.490 1.00 0.00 C ATOM 421 C TRP A 27 -3.108 -0.115 -8.826 1.00 0.00 C ATOM 422 O TRP A 27 -2.873 -0.822 -7.845 1.00 0.00 O ATOM 423 CB TRP A 27 -2.223 2.182 -9.247 1.00 0.00 C ATOM 424 CG TRP A 27 -0.965 2.994 -9.160 1.00 0.00 C ATOM 425 CD1 TRP A 27 -0.076 3.263 -10.161 1.00 0.00 C ATOM 426 CD2 TRP A 27 -0.468 3.662 -7.997 1.00 0.00 C ATOM 427 NE1 TRP A 27 0.943 4.053 -9.689 1.00 0.00 N ATOM 428 CE2 TRP A 27 0.725 4.311 -8.364 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.918 3.773 -6.678 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.474 5.061 -7.460 1.00 0.00 C ATOM 431 CZ3 TRP A 27 -0.174 4.518 -5.783 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.010 5.153 -6.178 1.00 0.00 C ATOM 0 H TRP A 27 -2.008 1.216 -11.520 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.039 0.402 -9.054 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.842 2.579 -10.052 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.786 2.306 -8.322 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.162 2.906 -11.177 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.734 4.392 -10.237 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.830 3.286 -6.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.388 5.552 -7.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.511 4.612 -4.761 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.568 5.728 -5.454 1.00 0.00 H new ATOM 443 N THR A 28 -4.305 -0.030 -9.390 1.00 0.00 N ATOM 444 CA THR A 28 -5.453 -0.754 -8.865 1.00 0.00 C ATOM 445 C THR A 28 -5.291 -2.256 -9.096 1.00 0.00 C ATOM 446 O THR A 28 -5.541 -3.070 -8.207 1.00 0.00 O ATOM 447 CB THR A 28 -6.752 -0.281 -9.545 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.792 1.153 -9.583 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.975 -0.803 -8.806 1.00 0.00 C ATOM 0 H THR A 28 -4.506 0.536 -10.215 1.00 0.00 H new ATOM 0 HA THR A 28 -5.511 -0.554 -7.795 1.00 0.00 H new ATOM 0 HB THR A 28 -6.765 -0.675 -10.561 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.620 1.446 -10.018 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.879 -0.455 -9.306 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.960 -1.893 -8.802 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.964 -0.436 -7.780 1.00 0.00 H new ATOM 457 N ASN A 29 -4.837 -2.598 -10.295 1.00 0.00 N ATOM 458 CA ASN A 29 -4.726 -3.985 -10.736 1.00 0.00 C ATOM 459 C ASN A 29 -3.821 -4.799 -9.807 1.00 0.00 C ATOM 460 O ASN A 29 -4.191 -5.886 -9.357 1.00 0.00 O ATOM 461 CB ASN A 29 -4.169 -4.012 -12.164 1.00 0.00 C ATOM 462 CG ASN A 29 -4.555 -5.261 -12.933 1.00 0.00 C ATOM 463 OD1 ASN A 29 -3.882 -6.291 -12.856 1.00 0.00 O ATOM 464 ND2 ASN A 29 -5.628 -5.164 -13.706 1.00 0.00 N ATOM 0 H ASN A 29 -4.534 -1.919 -10.993 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.717 -4.438 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.528 -3.136 -12.704 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.082 -3.939 -12.124 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.926 -5.962 -14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.156 -4.292 -13.739 1.00 0.00 H new ATOM 471 N THR A 30 -2.643 -4.262 -9.511 1.00 0.00 N ATOM 472 CA THR A 30 -1.680 -4.950 -8.663 1.00 0.00 C ATOM 473 C THR A 30 -2.189 -5.066 -7.223 1.00 0.00 C ATOM 474 O THR A 30 -2.128 -6.140 -6.618 1.00 0.00 O ATOM 475 CB THR A 30 -0.320 -4.224 -8.669 1.00 0.00 C ATOM 476 OG1 THR A 30 0.094 -3.976 -10.019 1.00 0.00 O ATOM 477 CG2 THR A 30 0.743 -5.045 -7.956 1.00 0.00 C ATOM 0 H THR A 30 -2.332 -3.350 -9.847 1.00 0.00 H new ATOM 0 HA THR A 30 -1.551 -5.952 -9.072 1.00 0.00 H new ATOM 0 HB THR A 30 -0.439 -3.279 -8.140 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.409 -3.217 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.691 -4.508 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.442 -5.211 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.859 -6.005 -8.459 1.00 0.00 H new ATOM 485 N ILE A 31 -2.716 -3.966 -6.688 1.00 0.00 N ATOM 486 CA ILE A 31 -3.211 -3.946 -5.314 1.00 0.00 C ATOM 487 C ILE A 31 -4.374 -4.917 -5.144 1.00 0.00 C ATOM 488 O ILE A 31 -4.442 -5.649 -4.158 1.00 0.00 O ATOM 489 CB ILE A 31 -3.649 -2.525 -4.881 1.00 0.00 C ATOM 490 CG1 ILE A 31 -2.441 -1.584 -4.854 1.00 0.00 C ATOM 491 CG2 ILE A 31 -4.328 -2.559 -3.516 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.792 -0.151 -4.507 1.00 0.00 C ATOM 0 H ILE A 31 -2.811 -3.080 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.386 -4.257 -4.673 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.369 -2.151 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.717 -1.957 -4.129 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.955 -1.604 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.627 -1.550 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.209 -3.198 -3.564 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.634 -2.953 -2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.886 0.456 -4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.492 0.241 -5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.251 -0.118 -3.519 1.00 0.00 H new ATOM 504 N LYS A 32 -5.269 -4.942 -6.122 1.00 0.00 N ATOM 505 CA LYS A 32 -6.437 -5.809 -6.070 1.00 0.00 C ATOM 506 C LYS A 32 -6.022 -7.275 -6.037 1.00 0.00 C ATOM 507 O LYS A 32 -6.700 -8.112 -5.439 1.00 0.00 O ATOM 508 CB LYS A 32 -7.339 -5.563 -7.278 1.00 0.00 C ATOM 509 CG LYS A 32 -8.705 -6.212 -7.146 1.00 0.00 C ATOM 510 CD LYS A 32 -9.569 -5.969 -8.369 1.00 0.00 C ATOM 511 CE LYS A 32 -10.937 -6.607 -8.201 1.00 0.00 C ATOM 512 NZ LYS A 32 -11.797 -6.413 -9.395 1.00 0.00 N ATOM 0 H LYS A 32 -5.208 -4.369 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.986 -5.576 -5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.466 -4.489 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.848 -5.944 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.584 -7.285 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.209 -5.820 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.681 -4.897 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.079 -6.377 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.818 -7.674 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.430 -6.181 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.720 -6.865 -9.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.934 -5.396 -9.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.341 -6.842 -10.225 1.00 0.00 H new ATOM 526 N THR A 33 -4.903 -7.579 -6.671 1.00 0.00 N ATOM 527 CA THR A 33 -4.424 -8.949 -6.738 1.00 0.00 C ATOM 528 C THR A 33 -3.763 -9.371 -5.422 1.00 0.00 C ATOM 529 O THR A 33 -4.125 -10.390 -4.834 1.00 0.00 O ATOM 530 CB THR A 33 -3.413 -9.124 -7.890 1.00 0.00 C ATOM 531 OG1 THR A 33 -3.969 -8.617 -9.111 1.00 0.00 O ATOM 532 CG2 THR A 33 -3.034 -10.587 -8.076 1.00 0.00 C ATOM 0 H THR A 33 -4.310 -6.898 -7.146 1.00 0.00 H new ATOM 0 HA THR A 33 -5.291 -9.584 -6.919 1.00 0.00 H new ATOM 0 HB THR A 33 -2.513 -8.565 -7.633 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.997 -7.638 -9.076 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.320 -10.677 -8.895 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.583 -10.965 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.927 -11.168 -8.308 1.00 0.00 H new ATOM 540 N TYR A 34 -2.801 -8.582 -4.961 1.00 0.00 N ATOM 541 CA TYR A 34 -2.040 -8.930 -3.762 1.00 0.00 C ATOM 542 C TYR A 34 -2.785 -8.597 -2.467 1.00 0.00 C ATOM 543 O TYR A 34 -2.914 -9.443 -1.583 1.00 0.00 O ATOM 544 CB TYR A 34 -0.675 -8.240 -3.786 1.00 0.00 C ATOM 545 CG TYR A 34 0.279 -8.844 -4.791 1.00 0.00 C ATOM 546 CD1 TYR A 34 0.278 -8.431 -6.117 1.00 0.00 C ATOM 547 CD2 TYR A 34 1.174 -9.835 -4.415 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.141 -8.991 -7.038 1.00 0.00 C ATOM 549 CE2 TYR A 34 2.042 -10.398 -5.329 1.00 0.00 C ATOM 550 CZ TYR A 34 2.021 -9.974 -6.638 1.00 0.00 C ATOM 551 OH TYR A 34 2.879 -10.538 -7.552 1.00 0.00 O ATOM 0 H TYR A 34 -2.528 -7.700 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.903 -10.011 -3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.813 -7.183 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.229 -8.295 -2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.409 -7.660 -6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 34 1.192 -10.172 -3.389 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.127 -8.661 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.734 -11.167 -5.018 1.00 0.00 H new ATOM 0 HH TYR A 34 3.096 -9.881 -8.246 1.00 0.00 H new ATOM 561 N CYS A 35 -3.284 -7.374 -2.366 1.00 0.00 N ATOM 562 CA CYS A 35 -3.876 -6.892 -1.123 1.00 0.00 C ATOM 563 C CYS A 35 -5.381 -7.124 -1.098 1.00 0.00 C ATOM 564 O CYS A 35 -5.972 -7.265 -0.029 1.00 0.00 O ATOM 565 CB CYS A 35 -3.580 -5.400 -0.958 1.00 0.00 C ATOM 566 SG CYS A 35 -1.834 -4.973 -1.164 1.00 0.00 S ATOM 0 H CYS A 35 -3.292 -6.696 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.435 -7.451 -0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.169 -4.840 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.908 -5.082 0.032 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.735 -3.766 -1.637 1.00 0.00 H new ATOM 572 N GLY A 36 -5.978 -7.183 -2.287 1.00 0.00 N ATOM 573 CA GLY A 36 -7.424 -7.295 -2.428 1.00 0.00 C ATOM 574 C GLY A 36 -8.067 -8.350 -1.538 1.00 0.00 C ATOM 575 O GLY A 36 -8.841 -8.008 -0.649 1.00 0.00 O ATOM 0 H GLY A 36 -5.474 -7.155 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.874 -6.327 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.658 -7.524 -3.468 1.00 0.00 H new ATOM 579 N PRO A 37 -7.761 -9.644 -1.744 1.00 0.00 N ATOM 580 CA PRO A 37 -8.395 -10.739 -0.995 1.00 0.00 C ATOM 581 C PRO A 37 -8.030 -10.749 0.491 1.00 0.00 C ATOM 582 O PRO A 37 -8.616 -11.499 1.274 1.00 0.00 O ATOM 583 CB PRO A 37 -7.859 -12.011 -1.672 1.00 0.00 C ATOM 584 CG PRO A 37 -7.251 -11.557 -2.956 1.00 0.00 C ATOM 585 CD PRO A 37 -6.787 -10.151 -2.722 1.00 0.00 C ATOM 0 HA PRO A 37 -9.481 -10.644 -1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -7.121 -12.508 -1.043 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.661 -12.728 -1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.418 -12.200 -3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.978 -11.598 -3.767 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.770 -10.121 -2.332 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.794 -9.565 -3.641 1.00 0.00 H new ATOM 593 N VAL A 38 -7.068 -9.923 0.880 1.00 0.00 N ATOM 594 CA VAL A 38 -6.595 -9.915 2.259 1.00 0.00 C ATOM 595 C VAL A 38 -7.092 -8.681 3.013 1.00 0.00 C ATOM 596 O VAL A 38 -8.002 -8.773 3.835 1.00 0.00 O ATOM 597 CB VAL A 38 -5.053 -9.973 2.333 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.585 -10.123 3.774 1.00 0.00 C ATOM 599 CG2 VAL A 38 -4.515 -11.105 1.472 1.00 0.00 C ATOM 0 H VAL A 38 -6.603 -9.254 0.266 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.003 -10.808 2.732 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.660 -9.033 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.496 -10.162 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.932 -9.272 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.991 -11.043 4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.427 -11.128 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.920 -12.054 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.812 -10.946 0.435 1.00 0.00 H new ATOM 609 N ILE A 39 -6.508 -7.528 2.710 1.00 0.00 N ATOM 610 CA ILE A 39 -6.795 -6.301 3.448 1.00 0.00 C ATOM 611 C ILE A 39 -7.608 -5.320 2.610 1.00 0.00 C ATOM 612 O ILE A 39 -7.850 -4.191 3.028 1.00 0.00 O ATOM 613 CB ILE A 39 -5.496 -5.609 3.916 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.591 -5.301 2.717 1.00 0.00 C ATOM 615 CG2 ILE A 39 -4.767 -6.479 4.935 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.337 -4.536 3.080 1.00 0.00 C ATOM 0 H ILE A 39 -5.830 -7.416 1.956 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.380 -6.592 4.320 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.758 -4.666 4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.308 -6.238 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.157 -4.726 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.854 -5.977 5.255 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.411 -6.645 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.514 -7.437 4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.748 -4.355 2.181 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.610 -3.583 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.748 -5.118 3.789 1.00 0.00 H new ATOM 628 N GLY A 40 -8.030 -5.766 1.435 1.00 0.00 N ATOM 629 CA GLY A 40 -8.778 -4.914 0.526 1.00 0.00 C ATOM 630 C GLY A 40 -10.072 -4.375 1.123 1.00 0.00 C ATOM 631 O GLY A 40 -10.214 -3.161 1.297 1.00 0.00 O ATOM 0 H GLY A 40 -7.867 -6.712 1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.149 -4.076 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.011 -5.477 -0.378 1.00 0.00 H new ATOM 635 N PRO A 41 -11.041 -5.254 1.441 1.00 0.00 N ATOM 636 CA PRO A 41 -12.344 -4.841 1.976 1.00 0.00 C ATOM 637 C PRO A 41 -12.287 -4.414 3.446 1.00 0.00 C ATOM 638 O PRO A 41 -13.322 -4.136 4.056 1.00 0.00 O ATOM 639 CB PRO A 41 -13.203 -6.095 1.819 1.00 0.00 C ATOM 640 CG PRO A 41 -12.237 -7.224 1.890 1.00 0.00 C ATOM 641 CD PRO A 41 -10.956 -6.720 1.285 1.00 0.00 C ATOM 0 HA PRO A 41 -12.730 -3.966 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.952 -6.164 2.608 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.739 -6.092 0.870 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.082 -7.539 2.922 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.610 -8.091 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.085 -7.126 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.870 -7.006 0.237 1.00 0.00 H new ATOM 649 N LEU A 42 -11.089 -4.368 4.011 1.00 0.00 N ATOM 650 CA LEU A 42 -10.920 -3.927 5.387 1.00 0.00 C ATOM 651 C LEU A 42 -10.938 -2.410 5.448 1.00 0.00 C ATOM 652 O LEU A 42 -10.496 -1.742 4.510 1.00 0.00 O ATOM 653 CB LEU A 42 -9.613 -4.465 5.975 1.00 0.00 C ATOM 654 CG LEU A 42 -9.541 -5.985 6.128 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.200 -6.395 6.716 1.00 0.00 C ATOM 656 CD2 LEU A 42 -10.678 -6.484 7.005 1.00 0.00 C ATOM 0 H LEU A 42 -10.223 -4.630 3.540 1.00 0.00 H new ATOM 0 HA LEU A 42 -11.746 -4.319 5.981 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.788 -4.141 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.460 -4.010 6.954 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.640 -6.437 5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.164 -7.480 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.397 -6.066 6.056 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.076 -5.933 7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.613 -7.568 7.104 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.606 -6.025 7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.632 -6.218 6.550 1.00 0.00 H new ATOM 668 N SER A 43 -11.474 -1.868 6.531 1.00 0.00 N ATOM 669 CA SER A 43 -11.522 -0.447 6.731 1.00 0.00 C ATOM 670 C SER A 43 -10.112 0.144 6.740 1.00 0.00 C ATOM 671 O SER A 43 -9.193 -0.430 7.322 1.00 0.00 O ATOM 672 CB SER A 43 -12.237 -0.185 8.045 1.00 0.00 C ATOM 673 OG SER A 43 -13.454 -0.918 8.113 1.00 0.00 O ATOM 0 H SER A 43 -11.885 -2.411 7.290 1.00 0.00 H new ATOM 0 HA SER A 43 -12.063 0.033 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.592 -0.465 8.877 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.443 0.881 8.146 1.00 0.00 H new ATOM 0 HG SER A 43 -13.898 -0.736 8.968 1.00 0.00 H new ATOM 679 N VAL A 44 -9.952 1.295 6.099 1.00 0.00 N ATOM 680 CA VAL A 44 -8.642 1.912 5.917 1.00 0.00 C ATOM 681 C VAL A 44 -8.095 2.447 7.248 1.00 0.00 C ATOM 682 O VAL A 44 -6.918 2.801 7.361 1.00 0.00 O ATOM 683 CB VAL A 44 -8.710 3.040 4.859 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.382 4.283 5.418 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.329 3.352 4.313 1.00 0.00 C ATOM 0 H VAL A 44 -10.722 1.826 5.692 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.956 1.145 5.556 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.323 2.687 4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.414 5.056 4.650 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.398 4.039 5.729 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.817 4.647 6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.402 4.147 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.680 3.674 5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.912 2.459 3.847 1.00 0.00 H new ATOM 695 N GLN A 45 -8.961 2.504 8.250 1.00 0.00 N ATOM 696 CA GLN A 45 -8.554 2.854 9.604 1.00 0.00 C ATOM 697 C GLN A 45 -8.107 1.596 10.346 1.00 0.00 C ATOM 698 O GLN A 45 -7.274 1.645 11.251 1.00 0.00 O ATOM 699 CB GLN A 45 -9.719 3.501 10.344 1.00 0.00 C ATOM 700 CG GLN A 45 -9.358 3.988 11.735 1.00 0.00 C ATOM 701 CD GLN A 45 -10.559 4.509 12.490 1.00 0.00 C ATOM 702 OE1 GLN A 45 -11.682 4.038 12.299 1.00 0.00 O ATOM 703 NE2 GLN A 45 -10.336 5.488 13.346 1.00 0.00 N ATOM 0 H GLN A 45 -9.957 2.311 8.149 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.725 3.560 9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.089 4.342 9.758 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.535 2.782 10.420 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.904 3.172 12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.610 4.777 11.659 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.390 5.848 13.473 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.109 5.884 13.880 1.00 0.00 H new ATOM 712 N ASP A 46 -8.654 0.465 9.923 1.00 0.00 N ATOM 713 CA ASP A 46 -8.418 -0.807 10.590 1.00 0.00 C ATOM 714 C ASP A 46 -7.204 -1.524 10.019 1.00 0.00 C ATOM 715 O ASP A 46 -6.690 -2.460 10.631 1.00 0.00 O ATOM 716 CB ASP A 46 -9.654 -1.697 10.474 1.00 0.00 C ATOM 717 CG ASP A 46 -10.729 -1.329 11.475 1.00 0.00 C ATOM 718 OD1 ASP A 46 -11.439 -0.322 11.260 1.00 0.00 O ATOM 719 OD2 ASP A 46 -10.870 -2.054 12.484 1.00 0.00 O ATOM 0 H ASP A 46 -9.270 0.403 9.113 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.218 -0.599 11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.060 -1.620 9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.364 -2.737 10.623 1.00 0.00 H new ATOM 724 N VAL A 47 -6.752 -1.085 8.848 1.00 0.00 N ATOM 725 CA VAL A 47 -5.542 -1.635 8.246 1.00 0.00 C ATOM 726 C VAL A 47 -4.366 -1.458 9.202 1.00 0.00 C ATOM 727 O VAL A 47 -3.888 -0.346 9.421 1.00 0.00 O ATOM 728 CB VAL A 47 -5.214 -0.971 6.890 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.941 -1.562 6.294 1.00 0.00 C ATOM 730 CG2 VAL A 47 -6.379 -1.130 5.922 1.00 0.00 C ATOM 0 H VAL A 47 -7.203 -0.353 8.299 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.719 -2.695 8.061 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.050 0.093 7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.728 -1.080 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.108 -1.396 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.075 -2.632 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.130 -0.656 4.972 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.574 -2.190 5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.267 -0.658 6.341 1.00 0.00 H new ATOM 740 N ASP A 48 -3.933 -2.562 9.791 1.00 0.00 N ATOM 741 CA ASP A 48 -2.887 -2.532 10.802 1.00 0.00 C ATOM 742 C ASP A 48 -1.598 -3.125 10.260 1.00 0.00 C ATOM 743 O ASP A 48 -1.597 -3.828 9.249 1.00 0.00 O ATOM 744 CB ASP A 48 -3.347 -3.295 12.051 1.00 0.00 C ATOM 745 CG ASP A 48 -2.307 -3.349 13.149 1.00 0.00 C ATOM 746 OD1 ASP A 48 -2.224 -2.394 13.939 1.00 0.00 O ATOM 747 OD2 ASP A 48 -1.570 -4.353 13.228 1.00 0.00 O ATOM 0 H ASP A 48 -4.292 -3.494 9.585 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.693 -1.494 11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.250 -2.825 12.441 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.615 -4.312 11.766 1.00 0.00 H new ATOM 752 N THR A 49 -0.511 -2.854 10.958 1.00 0.00 N ATOM 753 CA THR A 49 0.812 -3.294 10.542 1.00 0.00 C ATOM 754 C THR A 49 0.920 -4.821 10.568 1.00 0.00 C ATOM 755 O THR A 49 1.593 -5.413 9.727 1.00 0.00 O ATOM 756 CB THR A 49 1.900 -2.664 11.435 1.00 0.00 C ATOM 757 OG1 THR A 49 1.783 -1.235 11.395 1.00 0.00 O ATOM 758 CG2 THR A 49 3.297 -3.066 10.984 1.00 0.00 C ATOM 0 H THR A 49 -0.518 -2.323 11.829 1.00 0.00 H new ATOM 0 HA THR A 49 0.967 -2.961 9.516 1.00 0.00 H new ATOM 0 HB THR A 49 1.753 -3.028 12.452 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.972 -0.917 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.037 -2.603 11.637 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.397 -4.150 11.033 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.458 -2.733 9.959 1.00 0.00 H new ATOM 766 N LYS A 50 0.234 -5.458 11.514 1.00 0.00 N ATOM 767 CA LYS A 50 0.234 -6.916 11.599 1.00 0.00 C ATOM 768 C LYS A 50 -0.478 -7.499 10.382 1.00 0.00 C ATOM 769 O LYS A 50 -0.052 -8.508 9.818 1.00 0.00 O ATOM 770 CB LYS A 50 -0.452 -7.371 12.894 1.00 0.00 C ATOM 771 CG LYS A 50 0.067 -8.689 13.456 1.00 0.00 C ATOM 772 CD LYS A 50 -0.277 -9.878 12.569 1.00 0.00 C ATOM 773 CE LYS A 50 0.314 -11.170 13.114 1.00 0.00 C ATOM 774 NZ LYS A 50 0.033 -12.334 12.229 1.00 0.00 N ATOM 0 H LYS A 50 -0.325 -4.991 12.228 1.00 0.00 H new ATOM 0 HA LYS A 50 1.263 -7.276 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.326 -6.595 13.649 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.522 -7.466 12.709 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.149 -8.629 13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.353 -8.847 14.449 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.360 -9.976 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.098 -9.702 11.561 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.392 -11.055 13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.093 -11.364 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.454 -13.192 12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.995 -12.462 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.444 -12.163 11.289 1.00 0.00 H new ATOM 788 N LEU A 51 -1.549 -6.836 9.966 1.00 0.00 N ATOM 789 CA LEU A 51 -2.307 -7.258 8.801 1.00 0.00 C ATOM 790 C LEU A 51 -1.469 -7.096 7.537 1.00 0.00 C ATOM 791 O LEU A 51 -1.525 -7.927 6.631 1.00 0.00 O ATOM 792 CB LEU A 51 -3.597 -6.447 8.697 1.00 0.00 C ATOM 793 CG LEU A 51 -4.533 -6.560 9.900 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.805 -5.760 9.670 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.866 -8.017 10.187 1.00 0.00 C ATOM 0 H LEU A 51 -1.912 -5.999 10.423 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.564 -8.312 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.338 -5.398 8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.137 -6.765 7.805 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.020 -6.146 10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.456 -5.855 10.539 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.552 -4.711 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.319 -6.140 8.788 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.533 -8.075 11.047 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.355 -8.456 9.318 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.948 -8.564 10.402 1.00 0.00 H new ATOM 807 N ILE A 52 -0.693 -6.018 7.485 1.00 0.00 N ATOM 808 CA ILE A 52 0.226 -5.784 6.374 1.00 0.00 C ATOM 809 C ILE A 52 1.342 -6.829 6.382 1.00 0.00 C ATOM 810 O ILE A 52 1.760 -7.318 5.330 1.00 0.00 O ATOM 811 CB ILE A 52 0.842 -4.366 6.427 1.00 0.00 C ATOM 812 CG1 ILE A 52 -0.266 -3.311 6.391 1.00 0.00 C ATOM 813 CG2 ILE A 52 1.810 -4.154 5.268 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.241 -1.891 6.515 1.00 0.00 C ATOM 0 H ILE A 52 -0.682 -5.291 8.200 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.349 -5.868 5.452 1.00 0.00 H new ATOM 0 HB ILE A 52 1.398 -4.265 7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.819 -3.410 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.969 -3.508 7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.231 -3.150 5.325 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.613 -4.889 5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.278 -4.271 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.601 -1.200 6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.769 -1.774 7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.921 -1.674 5.691 1.00 0.00 H new ATOM 826 N MET A 53 1.808 -7.177 7.578 1.00 0.00 N ATOM 827 CA MET A 53 2.809 -8.226 7.742 1.00 0.00 C ATOM 828 C MET A 53 2.322 -9.539 7.145 1.00 0.00 C ATOM 829 O MET A 53 3.105 -10.293 6.576 1.00 0.00 O ATOM 830 CB MET A 53 3.140 -8.437 9.219 1.00 0.00 C ATOM 831 CG MET A 53 4.147 -7.448 9.781 1.00 0.00 C ATOM 832 SD MET A 53 5.778 -7.612 9.032 1.00 0.00 S ATOM 833 CE MET A 53 6.741 -6.504 10.059 1.00 0.00 C ATOM 0 H MET A 53 1.507 -6.745 8.452 1.00 0.00 H new ATOM 0 HA MET A 53 3.708 -7.905 7.216 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.220 -8.370 9.799 1.00 0.00 H new ATOM 0 HB3 MET A 53 3.527 -9.447 9.352 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.780 -6.434 9.624 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.230 -7.593 10.858 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.513 -6.026 9.455 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.088 -5.741 10.483 1.00 0.00 H new ATOM 0 HE3 MET A 53 7.209 -7.069 10.865 1.00 0.00 H new ATOM 843 N LYS A 54 1.028 -9.807 7.280 1.00 0.00 N ATOM 844 CA LYS A 54 0.433 -11.011 6.706 1.00 0.00 C ATOM 845 C LYS A 54 0.616 -11.035 5.194 1.00 0.00 C ATOM 846 O LYS A 54 0.942 -12.070 4.613 1.00 0.00 O ATOM 847 CB LYS A 54 -1.061 -11.094 7.033 1.00 0.00 C ATOM 848 CG LYS A 54 -1.368 -11.215 8.515 1.00 0.00 C ATOM 849 CD LYS A 54 -2.856 -11.419 8.758 1.00 0.00 C ATOM 850 CE LYS A 54 -3.362 -12.670 8.057 1.00 0.00 C ATOM 851 NZ LYS A 54 -4.832 -12.843 8.203 1.00 0.00 N ATOM 0 H LYS A 54 0.371 -9.209 7.781 1.00 0.00 H new ATOM 0 HA LYS A 54 0.942 -11.869 7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.557 -10.206 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.488 -11.952 6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.811 -12.052 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.033 -10.316 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.045 -11.498 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.408 -10.550 8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.108 -12.619 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.853 -13.543 8.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.130 -13.708 7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.074 -12.919 9.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.321 -12.023 7.790 1.00 0.00 H new ATOM 865 N VAL A 55 0.418 -9.885 4.567 1.00 0.00 N ATOM 866 CA VAL A 55 0.502 -9.774 3.118 1.00 0.00 C ATOM 867 C VAL A 55 1.952 -9.830 2.646 1.00 0.00 C ATOM 868 O VAL A 55 2.284 -10.571 1.723 1.00 0.00 O ATOM 869 CB VAL A 55 -0.134 -8.458 2.617 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.137 -8.399 1.098 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.543 -8.300 3.157 1.00 0.00 C ATOM 0 H VAL A 55 0.197 -9.010 5.042 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.048 -10.619 2.704 1.00 0.00 H new ATOM 0 HB VAL A 55 0.471 -7.631 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.590 -7.463 0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.887 -8.455 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.711 -9.237 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.970 -7.366 2.791 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.157 -9.136 2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.515 -8.284 4.247 1.00 0.00 H new ATOM 881 N LEU A 56 2.811 -9.061 3.304 1.00 0.00 N ATOM 882 CA LEU A 56 4.187 -8.884 2.852 1.00 0.00 C ATOM 883 C LEU A 56 5.092 -10.059 3.218 1.00 0.00 C ATOM 884 O LEU A 56 6.030 -10.358 2.482 1.00 0.00 O ATOM 885 CB LEU A 56 4.768 -7.589 3.422 1.00 0.00 C ATOM 886 CG LEU A 56 4.159 -6.301 2.867 1.00 0.00 C ATOM 887 CD1 LEU A 56 4.821 -5.090 3.501 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.303 -6.249 1.353 1.00 0.00 C ATOM 0 H LEU A 56 2.579 -8.548 4.155 1.00 0.00 H new ATOM 0 HA LEU A 56 4.152 -8.832 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.637 -7.597 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.841 -7.576 3.231 1.00 0.00 H new ATOM 0 HG LEU A 56 3.097 -6.289 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.378 -4.180 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.672 -5.118 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.889 -5.102 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.864 -5.325 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.359 -6.283 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.789 -7.102 0.909 1.00 0.00 H new ATOM 900 N ASP A 57 4.808 -10.722 4.340 1.00 0.00 N ATOM 901 CA ASP A 57 5.681 -11.789 4.866 1.00 0.00 C ATOM 902 C ASP A 57 6.100 -12.789 3.783 1.00 0.00 C ATOM 903 O ASP A 57 7.294 -13.002 3.570 1.00 0.00 O ATOM 904 CB ASP A 57 4.997 -12.539 6.015 1.00 0.00 C ATOM 905 CG ASP A 57 5.949 -13.444 6.773 1.00 0.00 C ATOM 906 OD1 ASP A 57 7.098 -13.031 7.038 1.00 0.00 O ATOM 907 OD2 ASP A 57 5.551 -14.582 7.105 1.00 0.00 O ATOM 0 H ASP A 57 3.980 -10.543 4.908 1.00 0.00 H new ATOM 0 HA ASP A 57 6.580 -11.296 5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.561 -11.817 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.176 -13.135 5.616 1.00 0.00 H new ATOM 912 N PRO A 58 5.140 -13.421 3.082 1.00 0.00 N ATOM 913 CA PRO A 58 5.467 -14.377 2.026 1.00 0.00 C ATOM 914 C PRO A 58 6.100 -13.699 0.811 1.00 0.00 C ATOM 915 O PRO A 58 6.979 -14.266 0.159 1.00 0.00 O ATOM 916 CB PRO A 58 4.117 -14.998 1.659 1.00 0.00 C ATOM 917 CG PRO A 58 3.097 -14.003 2.089 1.00 0.00 C ATOM 918 CD PRO A 58 3.683 -13.275 3.265 1.00 0.00 C ATOM 0 HA PRO A 58 6.201 -15.111 2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.051 -15.191 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.973 -15.953 2.165 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.865 -13.310 1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.165 -14.497 2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.385 -12.227 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.353 -13.709 4.209 1.00 0.00 H new ATOM 926 N ILE A 59 5.676 -12.473 0.536 1.00 0.00 N ATOM 927 CA ILE A 59 6.142 -11.748 -0.636 1.00 0.00 C ATOM 928 C ILE A 59 7.617 -11.369 -0.498 1.00 0.00 C ATOM 929 O ILE A 59 8.332 -11.307 -1.492 1.00 0.00 O ATOM 930 CB ILE A 59 5.300 -10.480 -0.880 1.00 0.00 C ATOM 931 CG1 ILE A 59 3.813 -10.824 -0.894 1.00 0.00 C ATOM 932 CG2 ILE A 59 5.694 -9.811 -2.190 1.00 0.00 C ATOM 933 CD1 ILE A 59 3.407 -11.750 -2.022 1.00 0.00 C ATOM 0 H ILE A 59 5.008 -11.959 1.111 1.00 0.00 H new ATOM 0 HA ILE A 59 6.028 -12.412 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 59 5.494 -9.783 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.549 -11.288 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.238 -9.901 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.086 -8.919 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.747 -9.531 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.531 -10.504 -3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.337 -11.947 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.638 -11.281 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.954 -12.689 -1.937 1.00 0.00 H new ATOM 945 N TRP A 60 8.072 -11.135 0.734 1.00 0.00 N ATOM 946 CA TRP A 60 9.484 -10.833 0.984 1.00 0.00 C ATOM 947 C TRP A 60 10.385 -11.924 0.407 1.00 0.00 C ATOM 948 O TRP A 60 11.469 -11.644 -0.110 1.00 0.00 O ATOM 949 CB TRP A 60 9.771 -10.687 2.484 1.00 0.00 C ATOM 950 CG TRP A 60 9.163 -9.469 3.122 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.359 -9.441 4.226 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.313 -8.104 2.705 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.005 -8.146 4.522 1.00 0.00 N ATOM 954 CE2 TRP A 60 8.576 -7.310 3.604 1.00 0.00 C ATOM 955 CE3 TRP A 60 9.999 -7.478 1.661 1.00 0.00 C ATOM 956 CZ2 TRP A 60 8.506 -5.924 3.490 1.00 0.00 C ATOM 957 CZ3 TRP A 60 9.927 -6.101 1.550 1.00 0.00 C ATOM 958 CH2 TRP A 60 9.187 -5.338 2.460 1.00 0.00 C ATOM 0 H TRP A 60 7.488 -11.148 1.570 1.00 0.00 H new ATOM 0 HA TRP A 60 9.699 -9.885 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.401 -11.574 2.999 1.00 0.00 H new ATOM 0 HB3 TRP A 60 10.850 -10.658 2.633 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.047 -10.310 4.785 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.413 -7.856 5.300 1.00 0.00 H new ATOM 0 HE3 TRP A 60 10.574 -8.058 0.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.934 -5.333 4.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 10.452 -5.606 0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 60 9.153 -4.265 2.346 1.00 0.00 H new ATOM 969 N GLU A 61 9.933 -13.168 0.504 1.00 0.00 N ATOM 970 CA GLU A 61 10.677 -14.292 -0.010 1.00 0.00 C ATOM 971 C GLU A 61 10.378 -14.527 -1.487 1.00 0.00 C ATOM 972 O GLU A 61 11.285 -14.792 -2.274 1.00 0.00 O ATOM 973 CB GLU A 61 10.334 -15.541 0.787 1.00 0.00 C ATOM 974 CG GLU A 61 10.879 -15.535 2.202 1.00 0.00 C ATOM 975 CD GLU A 61 10.752 -16.888 2.865 1.00 0.00 C ATOM 976 OE1 GLU A 61 9.703 -17.156 3.483 1.00 0.00 O ATOM 977 OE2 GLU A 61 11.698 -17.695 2.759 1.00 0.00 O ATOM 0 H GLU A 61 9.045 -13.417 0.940 1.00 0.00 H new ATOM 0 HA GLU A 61 11.739 -14.070 0.090 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.250 -15.649 0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.723 -16.414 0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 61 11.927 -15.237 2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 61 10.345 -14.791 2.793 1.00 0.00 H new ATOM 984 N GLN A 62 9.103 -14.431 -1.850 1.00 0.00 N ATOM 985 CA GLN A 62 8.675 -14.687 -3.219 1.00 0.00 C ATOM 986 C GLN A 62 9.221 -13.634 -4.178 1.00 0.00 C ATOM 987 O GLN A 62 9.950 -13.949 -5.120 1.00 0.00 O ATOM 988 CB GLN A 62 7.147 -14.705 -3.305 1.00 0.00 C ATOM 989 CG GLN A 62 6.481 -15.812 -2.495 1.00 0.00 C ATOM 990 CD GLN A 62 6.734 -17.205 -3.049 1.00 0.00 C ATOM 991 OE1 GLN A 62 7.784 -17.483 -3.631 1.00 0.00 O ATOM 992 NE2 GLN A 62 5.765 -18.090 -2.875 1.00 0.00 N ATOM 0 H GLN A 62 8.348 -14.177 -1.213 1.00 0.00 H new ATOM 0 HA GLN A 62 9.070 -15.661 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.765 -13.743 -2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.856 -14.811 -4.350 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.842 -15.767 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.406 -15.632 -2.463 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.910 -17.821 -2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.873 -19.041 -3.228 1.00 0.00 H new ATOM 1001 N LYS A 63 8.871 -12.383 -3.923 1.00 0.00 N ATOM 1002 CA LYS A 63 9.201 -11.285 -4.819 1.00 0.00 C ATOM 1003 C LYS A 63 9.644 -10.066 -4.009 1.00 0.00 C ATOM 1004 O LYS A 63 8.846 -9.170 -3.730 1.00 0.00 O ATOM 1005 CB LYS A 63 7.986 -10.935 -5.687 1.00 0.00 C ATOM 1006 CG LYS A 63 7.485 -12.096 -6.533 1.00 0.00 C ATOM 1007 CD LYS A 63 6.142 -11.792 -7.176 1.00 0.00 C ATOM 1008 CE LYS A 63 5.682 -12.942 -8.058 1.00 0.00 C ATOM 1009 NZ LYS A 63 4.343 -12.695 -8.658 1.00 0.00 N ATOM 0 H LYS A 63 8.352 -12.100 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 63 10.020 -11.589 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.177 -10.591 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.246 -10.104 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.216 -12.321 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.396 -12.987 -5.911 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.399 -11.605 -6.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.218 -10.882 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.410 -13.100 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.650 -13.858 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.748 -13.540 -8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.894 -11.886 -8.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.450 -12.486 -9.671 1.00 0.00 H new ATOM 1023 N PRO A 64 10.924 -10.038 -3.605 1.00 0.00 N ATOM 1024 CA PRO A 64 11.468 -8.994 -2.724 1.00 0.00 C ATOM 1025 C PRO A 64 11.270 -7.584 -3.267 1.00 0.00 C ATOM 1026 O PRO A 64 10.840 -6.685 -2.543 1.00 0.00 O ATOM 1027 CB PRO A 64 12.960 -9.325 -2.651 1.00 0.00 C ATOM 1028 CG PRO A 64 13.046 -10.773 -2.984 1.00 0.00 C ATOM 1029 CD PRO A 64 11.946 -11.033 -3.972 1.00 0.00 C ATOM 0 HA PRO A 64 10.962 -8.993 -1.758 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.534 -8.723 -3.355 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.362 -9.123 -1.658 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.019 -11.019 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.923 -11.387 -2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.287 -10.900 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.565 -12.051 -3.892 1.00 0.00 H new ATOM 1037 N GLU A 65 11.574 -7.400 -4.544 1.00 0.00 N ATOM 1038 CA GLU A 65 11.472 -6.106 -5.176 1.00 0.00 C ATOM 1039 C GLU A 65 10.013 -5.686 -5.314 1.00 0.00 C ATOM 1040 O GLU A 65 9.681 -4.509 -5.219 1.00 0.00 O ATOM 1041 CB GLU A 65 12.142 -6.167 -6.540 1.00 0.00 C ATOM 1042 CG GLU A 65 13.610 -6.549 -6.474 1.00 0.00 C ATOM 1043 CD GLU A 65 14.203 -6.802 -7.840 1.00 0.00 C ATOM 1044 OE1 GLU A 65 13.824 -7.809 -8.478 1.00 0.00 O ATOM 1045 OE2 GLU A 65 15.059 -6.007 -8.281 1.00 0.00 O ATOM 0 H GLU A 65 11.896 -8.144 -5.163 1.00 0.00 H new ATOM 0 HA GLU A 65 11.974 -5.362 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.614 -6.888 -7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 65 12.048 -5.196 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.168 -5.753 -5.981 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.722 -7.443 -5.861 1.00 0.00 H new ATOM 1052 N THR A 66 9.145 -6.663 -5.527 1.00 0.00 N ATOM 1053 CA THR A 66 7.724 -6.399 -5.676 1.00 0.00 C ATOM 1054 C THR A 66 7.101 -6.009 -4.336 1.00 0.00 C ATOM 1055 O THR A 66 6.231 -5.143 -4.277 1.00 0.00 O ATOM 1056 CB THR A 66 7.003 -7.631 -6.252 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.704 -8.086 -7.417 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.561 -7.308 -6.620 1.00 0.00 C ATOM 0 H THR A 66 9.401 -7.648 -5.601 1.00 0.00 H new ATOM 0 HA THR A 66 7.607 -5.566 -6.369 1.00 0.00 H new ATOM 0 HB THR A 66 6.991 -8.410 -5.490 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.277 -8.900 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.080 -8.199 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.024 -6.977 -5.731 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.545 -6.516 -7.369 1.00 0.00 H new ATOM 1066 N ALA A 67 7.571 -6.640 -3.268 1.00 0.00 N ATOM 1067 CA ALA A 67 7.070 -6.360 -1.926 1.00 0.00 C ATOM 1068 C ALA A 67 7.316 -4.906 -1.543 1.00 0.00 C ATOM 1069 O ALA A 67 6.428 -4.231 -1.021 1.00 0.00 O ATOM 1070 CB ALA A 67 7.721 -7.290 -0.913 1.00 0.00 C ATOM 0 H ALA A 67 8.301 -7.352 -3.304 1.00 0.00 H new ATOM 0 HA ALA A 67 5.994 -6.534 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.337 -7.069 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.492 -8.324 -1.169 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.801 -7.144 -0.926 1.00 0.00 H new ATOM 1076 N SER A 68 8.519 -4.421 -1.815 1.00 0.00 N ATOM 1077 CA SER A 68 8.875 -3.049 -1.492 1.00 0.00 C ATOM 1078 C SER A 68 8.149 -2.056 -2.405 1.00 0.00 C ATOM 1079 O SER A 68 7.694 -1.004 -1.951 1.00 0.00 O ATOM 1080 CB SER A 68 10.389 -2.872 -1.587 1.00 0.00 C ATOM 1081 OG SER A 68 10.895 -3.478 -2.763 1.00 0.00 O ATOM 0 H SER A 68 9.264 -4.958 -2.259 1.00 0.00 H new ATOM 0 HA SER A 68 8.559 -2.840 -0.470 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.636 -1.810 -1.585 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.866 -3.312 -0.712 1.00 0.00 H new ATOM 0 HG SER A 68 10.167 -3.601 -3.407 1.00 0.00 H new ATOM 1087 N ARG A 69 8.031 -2.404 -3.684 1.00 0.00 N ATOM 1088 CA ARG A 69 7.332 -1.567 -4.651 1.00 0.00 C ATOM 1089 C ARG A 69 5.838 -1.496 -4.339 1.00 0.00 C ATOM 1090 O ARG A 69 5.205 -0.448 -4.493 1.00 0.00 O ATOM 1091 CB ARG A 69 7.559 -2.104 -6.062 1.00 0.00 C ATOM 1092 CG ARG A 69 8.957 -1.848 -6.597 1.00 0.00 C ATOM 1093 CD ARG A 69 9.135 -2.433 -7.989 1.00 0.00 C ATOM 1094 NE ARG A 69 10.500 -2.265 -8.492 1.00 0.00 N ATOM 1095 CZ ARG A 69 10.950 -2.820 -9.618 1.00 0.00 C ATOM 1096 NH1 ARG A 69 10.130 -3.531 -10.386 1.00 0.00 N ATOM 1097 NH2 ARG A 69 12.213 -2.652 -9.989 1.00 0.00 N ATOM 0 H ARG A 69 8.413 -3.265 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 69 7.734 -0.556 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.369 -3.177 -6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.833 -1.648 -6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.147 -0.775 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.692 -2.284 -5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.885 -3.494 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.436 -1.954 -8.674 1.00 0.00 H new ATOM 0 HE ARG A 69 11.144 -1.690 -7.949 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.154 -3.653 -10.114 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.477 -3.955 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.844 -2.096 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.552 -3.079 -10.851 1.00 0.00 H new ATOM 1111 N LEU A 70 5.282 -2.615 -3.895 1.00 0.00 N ATOM 1112 CA LEU A 70 3.888 -2.662 -3.481 1.00 0.00 C ATOM 1113 C LEU A 70 3.701 -1.840 -2.213 1.00 0.00 C ATOM 1114 O LEU A 70 2.741 -1.086 -2.086 1.00 0.00 O ATOM 1115 CB LEU A 70 3.450 -4.111 -3.241 1.00 0.00 C ATOM 1116 CG LEU A 70 1.984 -4.300 -2.840 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.057 -3.883 -3.973 1.00 0.00 C ATOM 1118 CD2 LEU A 70 1.728 -5.743 -2.435 1.00 0.00 C ATOM 0 H LEU A 70 5.777 -3.503 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 70 3.270 -2.242 -4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.636 -4.684 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.080 -4.538 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 70 1.776 -3.660 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.021 -4.026 -3.666 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.224 -2.833 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.262 -4.492 -4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.682 -5.862 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.955 -6.402 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.364 -6.002 -1.588 1.00 0.00 H new ATOM 1130 N ARG A 71 4.645 -1.970 -1.290 1.00 0.00 N ATOM 1131 CA ARG A 71 4.592 -1.224 -0.041 1.00 0.00 C ATOM 1132 C ARG A 71 4.673 0.274 -0.316 1.00 0.00 C ATOM 1133 O ARG A 71 4.023 1.073 0.355 1.00 0.00 O ATOM 1134 CB ARG A 71 5.739 -1.630 0.886 1.00 0.00 C ATOM 1135 CG ARG A 71 5.559 -1.145 2.314 1.00 0.00 C ATOM 1136 CD ARG A 71 6.892 -0.905 2.997 1.00 0.00 C ATOM 1137 NE ARG A 71 7.563 0.284 2.472 1.00 0.00 N ATOM 1138 CZ ARG A 71 7.919 1.326 3.225 1.00 0.00 C ATOM 1139 NH1 ARG A 71 7.690 1.319 4.527 1.00 0.00 N ATOM 1140 NH2 ARG A 71 8.485 2.384 2.674 1.00 0.00 N ATOM 0 H ARG A 71 5.454 -2.584 -1.383 1.00 0.00 H new ATOM 0 HA ARG A 71 3.645 -1.455 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.828 -2.716 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.674 -1.234 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.978 -0.222 2.315 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.988 -1.881 2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.736 -0.791 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.533 -1.775 2.859 1.00 0.00 H new ATOM 0 HE ARG A 71 7.770 0.318 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.239 0.514 4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.965 2.119 5.097 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.652 2.407 1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.755 3.178 3.254 1.00 0.00 H new ATOM 1154 N GLY A 72 5.473 0.639 -1.313 1.00 0.00 N ATOM 1155 CA GLY A 72 5.663 2.037 -1.657 1.00 0.00 C ATOM 1156 C GLY A 72 4.377 2.720 -2.082 1.00 0.00 C ATOM 1157 O GLY A 72 4.105 3.851 -1.675 1.00 0.00 O ATOM 0 H GLY A 72 5.998 -0.015 -1.894 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.082 2.563 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.392 2.112 -2.464 1.00 0.00 H new ATOM 1161 N ARG A 73 3.579 2.040 -2.898 1.00 0.00 N ATOM 1162 CA ARG A 73 2.316 2.609 -3.348 1.00 0.00 C ATOM 1163 C ARG A 73 1.305 2.638 -2.203 1.00 0.00 C ATOM 1164 O ARG A 73 0.506 3.568 -2.095 1.00 0.00 O ATOM 1165 CB ARG A 73 1.766 1.852 -4.567 1.00 0.00 C ATOM 1166 CG ARG A 73 1.444 0.390 -4.318 1.00 0.00 C ATOM 1167 CD ARG A 73 1.023 -0.311 -5.602 1.00 0.00 C ATOM 1168 NE ARG A 73 2.097 -0.323 -6.601 1.00 0.00 N ATOM 1169 CZ ARG A 73 1.937 -0.701 -7.872 1.00 0.00 C ATOM 1170 NH1 ARG A 73 0.741 -1.080 -8.313 1.00 0.00 N ATOM 1171 NH2 ARG A 73 2.976 -0.691 -8.703 1.00 0.00 N ATOM 0 H ARG A 73 3.781 1.107 -3.257 1.00 0.00 H new ATOM 0 HA ARG A 73 2.497 3.637 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.862 2.355 -4.911 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.494 1.916 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.317 -0.110 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.646 0.312 -3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.728 -1.335 -5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.148 0.189 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 73 3.026 -0.023 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.059 -1.083 -7.680 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.623 -1.368 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.893 -0.395 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.855 -0.979 -9.674 1.00 0.00 H new ATOM 1185 N ILE A 74 1.366 1.634 -1.332 1.00 0.00 N ATOM 1186 CA ILE A 74 0.495 1.582 -0.164 1.00 0.00 C ATOM 1187 C ILE A 74 0.855 2.709 0.800 1.00 0.00 C ATOM 1188 O ILE A 74 -0.022 3.350 1.383 1.00 0.00 O ATOM 1189 CB ILE A 74 0.602 0.218 0.557 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.146 -0.912 -0.371 1.00 0.00 C ATOM 1191 CG2 ILE A 74 -0.222 0.216 1.839 1.00 0.00 C ATOM 1192 CD1 ILE A 74 0.319 -2.294 0.222 1.00 0.00 C ATOM 0 H ILE A 74 2.009 0.847 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.534 1.705 -0.502 1.00 0.00 H new ATOM 0 HB ILE A 74 1.646 0.054 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.904 -0.763 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.708 -0.853 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.131 -0.754 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.143 0.996 2.508 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.268 0.405 1.599 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.025 -3.042 -0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.372 -2.464 0.447 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.265 -2.372 1.139 1.00 0.00 H new ATOM 1204 N GLU A 75 2.154 2.951 0.942 1.00 0.00 N ATOM 1205 CA GLU A 75 2.667 4.025 1.784 1.00 0.00 C ATOM 1206 C GLU A 75 2.035 5.357 1.403 1.00 0.00 C ATOM 1207 O GLU A 75 1.537 6.089 2.259 1.00 0.00 O ATOM 1208 CB GLU A 75 4.184 4.124 1.617 1.00 0.00 C ATOM 1209 CG GLU A 75 4.827 5.234 2.433 1.00 0.00 C ATOM 1210 CD GLU A 75 6.222 5.578 1.951 1.00 0.00 C ATOM 1211 OE1 GLU A 75 7.178 4.864 2.309 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.365 6.566 1.203 1.00 0.00 O ATOM 0 H GLU A 75 2.881 2.408 0.476 1.00 0.00 H new ATOM 0 HA GLU A 75 2.418 3.801 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.633 3.172 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.413 4.283 0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.200 6.125 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.872 4.931 3.479 1.00 0.00 H new ATOM 1219 N SER A 76 2.034 5.639 0.110 1.00 0.00 N ATOM 1220 CA SER A 76 1.540 6.907 -0.399 1.00 0.00 C ATOM 1221 C SER A 76 0.036 7.039 -0.166 1.00 0.00 C ATOM 1222 O SER A 76 -0.442 8.098 0.246 1.00 0.00 O ATOM 1223 CB SER A 76 1.867 7.037 -1.885 1.00 0.00 C ATOM 1224 OG SER A 76 1.790 8.388 -2.314 1.00 0.00 O ATOM 0 H SER A 76 2.373 5.001 -0.610 1.00 0.00 H new ATOM 0 HA SER A 76 2.035 7.714 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.868 6.650 -2.074 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.174 6.429 -2.467 1.00 0.00 H new ATOM 0 HG SER A 76 1.243 8.443 -3.125 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.703 5.957 -0.413 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.150 5.956 -0.207 1.00 0.00 C ATOM 1232 C VAL A 77 -2.484 6.132 1.272 1.00 0.00 C ATOM 1233 O VAL A 77 -3.342 6.937 1.636 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.800 4.651 -0.721 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.300 4.646 -0.453 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.528 4.465 -2.205 1.00 0.00 C ATOM 0 H VAL A 77 -0.324 5.074 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.553 6.793 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.354 3.818 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.733 3.717 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.478 4.726 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.763 5.491 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.994 3.541 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.942 5.307 -2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.452 4.413 -2.374 1.00 0.00 H new ATOM 1246 N LEU A 78 -1.795 5.379 2.122 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.010 5.464 3.561 1.00 0.00 C ATOM 1248 C LEU A 78 -1.686 6.859 4.075 1.00 0.00 C ATOM 1249 O LEU A 78 -2.469 7.441 4.820 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.165 4.425 4.301 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.627 2.974 4.145 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -0.654 2.031 4.828 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.025 2.793 4.717 1.00 0.00 C ATOM 0 H LEU A 78 -1.084 4.704 1.840 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.063 5.257 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.136 4.501 3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.159 4.675 5.362 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.655 2.736 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.998 1.004 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.333 2.139 4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.598 2.272 5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.336 1.755 4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.021 3.050 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.721 3.444 4.188 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.545 7.392 3.660 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.115 8.721 4.089 1.00 0.00 C ATOM 1267 C ASP A 79 -1.126 9.784 3.669 1.00 0.00 C ATOM 1268 O ASP A 79 -1.429 10.706 4.430 1.00 0.00 O ATOM 1269 CB ASP A 79 1.261 9.042 3.508 1.00 0.00 C ATOM 1270 CG ASP A 79 1.773 10.400 3.939 1.00 0.00 C ATOM 1271 OD1 ASP A 79 1.962 10.610 5.158 1.00 0.00 O ATOM 1272 OD2 ASP A 79 1.988 11.265 3.060 1.00 0.00 O ATOM 0 H ASP A 79 0.103 6.925 3.025 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.051 8.724 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.970 8.275 3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 79 1.209 9.006 2.420 1.00 0.00 H new ATOM 1277 N TRP A 80 -1.654 9.634 2.459 1.00 0.00 N ATOM 1278 CA TRP A 80 -2.678 10.536 1.941 1.00 0.00 C ATOM 1279 C TRP A 80 -3.929 10.492 2.817 1.00 0.00 C ATOM 1280 O TRP A 80 -4.492 11.531 3.176 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.020 10.147 0.497 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.158 10.925 -0.097 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.109 12.187 -0.616 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.512 10.484 -0.242 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.352 12.558 -1.066 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.229 11.530 -0.848 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.190 9.305 0.087 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.587 11.433 -1.135 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -7.537 9.211 -0.198 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.223 10.268 -0.804 1.00 0.00 C ATOM 0 H TRP A 80 -1.387 8.890 1.814 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.293 11.556 1.956 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.135 10.287 -0.124 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.266 9.085 0.467 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.223 12.803 -0.665 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.584 13.454 -1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -5.669 8.483 0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.120 12.248 -1.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.070 8.306 0.051 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.277 10.162 -1.015 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.349 9.281 3.168 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.544 9.081 3.978 1.00 0.00 C ATOM 1303 C ALA A 81 -5.394 9.703 5.364 1.00 0.00 C ATOM 1304 O ALA A 81 -6.374 10.159 5.955 1.00 0.00 O ATOM 1305 CB ALA A 81 -5.857 7.597 4.096 1.00 0.00 C ATOM 0 H ALA A 81 -3.875 8.418 2.902 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.373 9.582 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.752 7.461 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.026 7.181 3.103 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.018 7.084 4.566 1.00 0.00 H new ATOM 1311 N THR A 82 -4.171 9.723 5.880 1.00 0.00 N ATOM 1312 CA THR A 82 -3.910 10.299 7.191 1.00 0.00 C ATOM 1313 C THR A 82 -4.202 11.798 7.192 1.00 0.00 C ATOM 1314 O THR A 82 -4.915 12.301 8.060 1.00 0.00 O ATOM 1315 CB THR A 82 -2.448 10.065 7.625 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.115 8.675 7.502 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.224 10.514 9.063 1.00 0.00 C ATOM 0 H THR A 82 -3.347 9.348 5.411 1.00 0.00 H new ATOM 0 HA THR A 82 -4.571 9.801 7.900 1.00 0.00 H new ATOM 0 HB THR A 82 -1.805 10.656 6.972 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.118 8.420 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.185 10.337 9.342 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.448 11.577 9.151 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.879 9.949 9.727 1.00 0.00 H new ATOM 1325 N VAL A 83 -3.676 12.499 6.194 1.00 0.00 N ATOM 1326 CA VAL A 83 -3.849 13.946 6.102 1.00 0.00 C ATOM 1327 C VAL A 83 -5.296 14.296 5.758 1.00 0.00 C ATOM 1328 O VAL A 83 -5.838 15.291 6.245 1.00 0.00 O ATOM 1329 CB VAL A 83 -2.905 14.563 5.051 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.004 16.081 5.063 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -1.469 14.119 5.289 1.00 0.00 C ATOM 0 H VAL A 83 -3.127 12.091 5.438 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.599 14.364 7.077 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.214 14.208 4.068 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.330 16.496 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.027 16.381 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.726 16.456 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.820 14.566 4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.149 14.439 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.408 13.033 5.222 1.00 0.00 H new ATOM 1341 N ARG A 84 -5.916 13.468 4.920 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.311 13.620 4.563 1.00 0.00 C ATOM 1343 C ARG A 84 -8.239 13.377 5.753 1.00 0.00 C ATOM 1344 O ARG A 84 -9.421 13.719 5.708 1.00 0.00 O ATOM 1345 CB ARG A 84 -7.633 12.651 3.439 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.970 13.344 2.141 1.00 0.00 C ATOM 1347 CD ARG A 84 -6.864 14.276 1.669 1.00 0.00 C ATOM 1348 NE ARG A 84 -7.298 15.069 0.521 1.00 0.00 N ATOM 1349 CZ ARG A 84 -6.553 15.980 -0.098 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -5.302 16.204 0.276 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -7.069 16.667 -1.104 1.00 0.00 N ATOM 0 H ARG A 84 -5.458 12.674 4.473 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.475 14.648 4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.781 11.990 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.472 12.023 3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.161 12.595 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.891 13.914 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -6.571 14.939 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.983 13.693 1.400 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.242 14.912 0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.898 15.674 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -4.743 16.906 -0.208 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.030 16.496 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.505 17.368 -1.585 1.00 0.00 H new ATOM 1365 N GLY A 85 -7.708 12.774 6.807 1.00 0.00 N ATOM 1366 CA GLY A 85 -8.482 12.583 8.018 1.00 0.00 C ATOM 1367 C GLY A 85 -9.297 11.304 8.009 1.00 0.00 C ATOM 1368 O GLY A 85 -10.397 11.262 8.559 1.00 0.00 O ATOM 0 H GLY A 85 -6.755 12.413 6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.808 12.571 8.875 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.152 13.432 8.151 1.00 0.00 H new ATOM 1372 N TYR A 86 -8.769 10.261 7.385 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.429 8.958 7.400 1.00 0.00 C ATOM 1374 C TYR A 86 -8.943 8.124 8.579 1.00 0.00 C ATOM 1375 O TYR A 86 -9.437 7.023 8.824 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.208 8.211 6.082 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.096 8.700 4.960 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.414 8.268 4.861 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.628 9.596 4.008 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.236 8.712 3.845 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.447 10.044 2.986 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.750 9.599 2.911 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.573 10.040 1.900 1.00 0.00 O ATOM 0 H TYR A 86 -7.892 10.288 6.865 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.500 9.126 7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.165 8.317 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.388 7.148 6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.801 7.573 5.592 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.609 9.949 4.066 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.257 8.365 3.783 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.067 10.738 2.251 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.080 10.662 1.325 1.00 0.00 H new ATOM 1393 N ARG A 87 -7.968 8.665 9.300 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.473 8.055 10.527 1.00 0.00 C ATOM 1395 C ARG A 87 -6.625 9.070 11.282 1.00 0.00 C ATOM 1396 O ARG A 87 -6.322 10.143 10.758 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.637 6.801 10.240 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.199 7.099 9.841 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.424 5.828 9.536 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.961 5.141 8.367 1.00 0.00 N ATOM 1401 CZ ARG A 87 -4.631 5.450 7.121 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -3.776 6.438 6.885 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -5.162 4.774 6.114 1.00 0.00 N ATOM 0 H ARG A 87 -7.500 9.536 9.051 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.331 7.753 11.128 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.634 6.167 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.115 6.232 9.443 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.192 7.748 8.966 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.704 7.643 10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.375 6.072 9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.460 5.163 10.399 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.626 4.382 8.516 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.372 6.960 7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.523 6.675 5.926 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.822 4.019 6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.911 5.008 5.154 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.250 8.727 12.500 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.377 9.566 13.302 1.00 0.00 C ATOM 1419 C GLU A 88 -4.076 8.824 13.582 1.00 0.00 C ATOM 1420 O GLU A 88 -4.003 7.608 13.398 1.00 0.00 O ATOM 1421 CB GLU A 88 -6.082 9.946 14.603 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.410 10.647 14.374 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.251 10.720 15.622 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.975 9.749 15.910 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -8.196 11.750 16.327 1.00 0.00 O ATOM 0 H GLU A 88 -6.540 7.864 12.960 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.143 10.482 12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.249 9.047 15.196 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.430 10.596 15.187 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.225 11.656 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.965 10.121 13.597 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.056 9.547 14.019 1.00 0.00 N ATOM 1433 CA GLY A 89 -1.760 8.938 14.252 1.00 0.00 C ATOM 1434 C GLY A 89 -0.915 8.927 12.994 1.00 0.00 C ATOM 1435 O GLY A 89 -0.890 9.910 12.253 1.00 0.00 O ATOM 0 H GLY A 89 -3.101 10.547 14.217 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.237 9.483 15.038 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.896 7.917 14.609 1.00 0.00 H new ATOM 1439 N ASP A 90 -0.227 7.823 12.751 1.00 0.00 N ATOM 1440 CA ASP A 90 0.590 7.676 11.558 1.00 0.00 C ATOM 1441 C ASP A 90 0.073 6.530 10.702 1.00 0.00 C ATOM 1442 O ASP A 90 -0.893 5.859 11.070 1.00 0.00 O ATOM 1443 CB ASP A 90 2.050 7.426 11.933 1.00 0.00 C ATOM 1444 CG ASP A 90 2.778 8.688 12.352 1.00 0.00 C ATOM 1445 OD1 ASP A 90 3.187 9.466 11.464 1.00 0.00 O ATOM 1446 OD2 ASP A 90 2.963 8.896 13.568 1.00 0.00 O ATOM 0 H ASP A 90 -0.219 7.011 13.368 1.00 0.00 H new ATOM 0 HA ASP A 90 0.529 8.602 10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.092 6.702 12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.567 6.980 11.083 1.00 0.00 H new ATOM 1451 N ASN A 91 0.713 6.305 9.565 1.00 0.00 N ATOM 1452 CA ASN A 91 0.333 5.230 8.678 1.00 0.00 C ATOM 1453 C ASN A 91 0.961 3.915 9.136 1.00 0.00 C ATOM 1454 O ASN A 91 2.087 3.892 9.630 1.00 0.00 O ATOM 1455 CB ASN A 91 0.746 5.574 7.241 1.00 0.00 C ATOM 1456 CG ASN A 91 2.241 5.793 7.060 1.00 0.00 C ATOM 1457 OD1 ASN A 91 2.948 6.195 7.984 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.728 5.549 5.852 1.00 0.00 N ATOM 0 H ASN A 91 1.503 6.861 9.238 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.750 5.107 8.704 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.425 4.769 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.217 6.474 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.720 5.694 5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.111 5.217 5.111 1.00 0.00 H new ATOM 1465 N PRO A 92 0.239 2.794 8.979 1.00 0.00 N ATOM 1466 CA PRO A 92 0.706 1.476 9.434 1.00 0.00 C ATOM 1467 C PRO A 92 1.813 0.893 8.557 1.00 0.00 C ATOM 1468 O PRO A 92 2.305 -0.205 8.817 1.00 0.00 O ATOM 1469 CB PRO A 92 -0.551 0.611 9.348 1.00 0.00 C ATOM 1470 CG PRO A 92 -1.376 1.247 8.284 1.00 0.00 C ATOM 1471 CD PRO A 92 -1.106 2.723 8.376 1.00 0.00 C ATOM 0 HA PRO A 92 1.146 1.530 10.430 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.305 -0.420 9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.082 0.588 10.300 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.108 0.862 7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.435 1.034 8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.131 3.197 7.395 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.849 3.229 8.993 1.00 0.00 H new ATOM 1479 N ALA A 93 2.204 1.634 7.528 1.00 0.00 N ATOM 1480 CA ALA A 93 3.252 1.190 6.615 1.00 0.00 C ATOM 1481 C ALA A 93 4.576 1.877 6.936 1.00 0.00 C ATOM 1482 O ALA A 93 5.489 1.897 6.115 1.00 0.00 O ATOM 1483 CB ALA A 93 2.850 1.460 5.166 1.00 0.00 C ATOM 0 H ALA A 93 1.810 2.548 7.304 1.00 0.00 H new ATOM 0 HA ALA A 93 3.383 0.116 6.745 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.644 1.122 4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.930 0.922 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.689 2.529 5.026 1.00 0.00 H new ATOM 1489 N ARG A 94 4.675 2.429 8.137 1.00 0.00 N ATOM 1490 CA ARG A 94 5.881 3.130 8.562 1.00 0.00 C ATOM 1491 C ARG A 94 7.034 2.167 8.829 1.00 0.00 C ATOM 1492 O ARG A 94 6.982 1.342 9.743 1.00 0.00 O ATOM 1493 CB ARG A 94 5.600 3.970 9.805 1.00 0.00 C ATOM 1494 CG ARG A 94 4.856 3.221 10.900 1.00 0.00 C ATOM 1495 CD ARG A 94 4.664 4.084 12.134 1.00 0.00 C ATOM 1496 NE ARG A 94 5.933 4.412 12.778 1.00 0.00 N ATOM 1497 CZ ARG A 94 6.194 5.578 13.364 1.00 0.00 C ATOM 1498 NH1 ARG A 94 5.279 6.540 13.381 1.00 0.00 N ATOM 1499 NH2 ARG A 94 7.372 5.778 13.937 1.00 0.00 N ATOM 0 H ARG A 94 3.933 2.405 8.837 1.00 0.00 H new ATOM 0 HA ARG A 94 6.180 3.787 7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.545 4.335 10.206 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.017 4.845 9.516 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.884 2.898 10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.410 2.321 11.167 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.151 5.004 11.856 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.022 3.563 12.844 1.00 0.00 H new ATOM 0 HE ARG A 94 6.666 3.702 12.779 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.370 6.387 12.943 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.485 7.432 13.832 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.075 5.039 13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.575 6.671 14.387 1.00 0.00 H new ATOM 1513 N TRP A 95 8.071 2.290 8.023 1.00 0.00 N ATOM 1514 CA TRP A 95 9.264 1.467 8.163 1.00 0.00 C ATOM 1515 C TRP A 95 10.514 2.266 7.835 1.00 0.00 C ATOM 1516 O TRP A 95 10.807 2.520 6.666 1.00 0.00 O ATOM 1517 CB TRP A 95 9.189 0.236 7.257 1.00 0.00 C ATOM 1518 CG TRP A 95 8.511 -0.933 7.892 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.972 -1.656 8.949 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.267 -1.529 7.507 1.00 0.00 C ATOM 1521 NE1 TRP A 95 8.093 -2.665 9.252 1.00 0.00 N ATOM 1522 CE2 TRP A 95 7.033 -2.608 8.382 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.325 -1.253 6.511 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 5.896 -3.410 8.285 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.200 -2.050 6.418 1.00 0.00 C ATOM 1526 CH2 TRP A 95 4.992 -3.115 7.301 1.00 0.00 C ATOM 0 H TRP A 95 8.114 2.959 7.255 1.00 0.00 H new ATOM 0 HA TRP A 95 9.316 1.138 9.201 1.00 0.00 H new ATOM 0 HB2 TRP A 95 8.658 0.500 6.342 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.199 -0.054 6.967 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.896 -1.463 9.473 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.209 -3.347 10.002 1.00 0.00 H new ATOM 0 HE3 TRP A 95 6.474 -0.431 5.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.735 -4.235 8.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.468 -1.847 5.650 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.100 -3.716 7.204 1.00 0.00 H new ATOM 1537 N ARG A 96 11.250 2.661 8.867 1.00 0.00 N ATOM 1538 CA ARG A 96 12.495 3.393 8.677 1.00 0.00 C ATOM 1539 C ARG A 96 13.603 2.454 8.210 1.00 0.00 C ATOM 1540 O ARG A 96 14.629 2.893 7.689 1.00 0.00 O ATOM 1541 CB ARG A 96 12.918 4.093 9.974 1.00 0.00 C ATOM 1542 CG ARG A 96 13.125 3.148 11.148 1.00 0.00 C ATOM 1543 CD ARG A 96 13.849 3.834 12.298 1.00 0.00 C ATOM 1544 NE ARG A 96 13.144 5.019 12.782 1.00 0.00 N ATOM 1545 CZ ARG A 96 13.459 5.659 13.908 1.00 0.00 C ATOM 1546 NH1 ARG A 96 14.448 5.218 14.673 1.00 0.00 N ATOM 1547 NH2 ARG A 96 12.781 6.740 14.271 1.00 0.00 N ATOM 0 H ARG A 96 11.006 2.487 9.842 1.00 0.00 H new ATOM 0 HA ARG A 96 12.326 4.149 7.911 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.843 4.641 9.794 1.00 0.00 H new ATOM 0 HB3 ARG A 96 12.159 4.828 10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.159 2.779 11.494 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.699 2.281 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.969 3.127 13.119 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.850 4.119 11.973 1.00 0.00 H new ATOM 0 HE ARG A 96 12.367 5.377 12.227 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.971 4.386 14.401 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.686 5.711 15.534 1.00 0.00 H new ATOM 0 HH21 ARG A 96 12.017 7.083 13.688 1.00 0.00 H new ATOM 0 HH22 ARG A 96 13.023 7.228 15.133 1.00 0.00 H new ATOM 1561 N GLY A 97 13.384 1.156 8.398 1.00 0.00 N ATOM 1562 CA GLY A 97 14.367 0.169 8.004 1.00 0.00 C ATOM 1563 C GLY A 97 13.756 -1.202 7.820 1.00 0.00 C ATOM 1564 O GLY A 97 14.009 -2.110 8.610 1.00 0.00 O ATOM 0 H GLY A 97 12.538 0.771 8.819 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.841 0.482 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.151 0.117 8.760 1.00 0.00 H new ATOM 1568 N TYR A 98 12.936 -1.346 6.789 1.00 0.00 N ATOM 1569 CA TYR A 98 12.327 -2.631 6.479 1.00 0.00 C ATOM 1570 C TYR A 98 13.375 -3.609 5.944 1.00 0.00 C ATOM 1571 O TYR A 98 13.675 -4.615 6.586 1.00 0.00 O ATOM 1572 CB TYR A 98 11.144 -2.469 5.503 1.00 0.00 C ATOM 1573 CG TYR A 98 11.372 -1.505 4.348 1.00 0.00 C ATOM 1574 CD1 TYR A 98 11.361 -0.129 4.550 1.00 0.00 C ATOM 1575 CD2 TYR A 98 11.578 -1.970 3.055 1.00 0.00 C ATOM 1576 CE1 TYR A 98 11.555 0.750 3.503 1.00 0.00 C ATOM 1577 CE2 TYR A 98 11.772 -1.094 2.004 1.00 0.00 C ATOM 1578 CZ TYR A 98 11.760 0.263 2.233 1.00 0.00 C ATOM 1579 OH TYR A 98 11.952 1.140 1.187 1.00 0.00 O ATOM 0 H TYR A 98 12.678 -0.591 6.154 1.00 0.00 H new ATOM 0 HA TYR A 98 11.924 -3.049 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.898 -3.448 5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.274 -2.133 6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.198 0.259 5.544 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.587 -3.034 2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.546 1.815 3.680 1.00 0.00 H new ATOM 0 HE2 TYR A 98 11.933 -1.473 1.006 1.00 0.00 H new ATOM 0 HH TYR A 98 12.084 0.636 0.357 1.00 0.00 H new ATOM 1589 N LEU A 99 13.937 -3.309 4.779 1.00 0.00 N ATOM 1590 CA LEU A 99 15.015 -4.110 4.230 1.00 0.00 C ATOM 1591 C LEU A 99 16.233 -3.243 3.944 1.00 0.00 C ATOM 1592 O LEU A 99 17.209 -3.259 4.690 1.00 0.00 O ATOM 1593 CB LEU A 99 14.579 -4.811 2.943 1.00 0.00 C ATOM 1594 CG LEU A 99 13.560 -5.943 3.101 1.00 0.00 C ATOM 1595 CD1 LEU A 99 13.328 -6.621 1.760 1.00 0.00 C ATOM 1596 CD2 LEU A 99 14.033 -6.955 4.137 1.00 0.00 C ATOM 0 H LEU A 99 13.661 -2.516 4.199 1.00 0.00 H new ATOM 0 HA LEU A 99 15.275 -4.865 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 99 14.158 -4.063 2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 99 15.466 -5.215 2.455 1.00 0.00 H new ATOM 0 HG LEU A 99 12.618 -5.519 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 99 12.602 -7.425 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 99 12.947 -5.892 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 99 14.268 -7.033 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 99 13.294 -7.750 4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 99 14.985 -7.381 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 99 14.159 -6.459 5.099 1.00 0.00 H new ATOM 1608 N GLU A 100 16.161 -2.473 2.870 1.00 0.00 N ATOM 1609 CA GLU A 100 17.275 -1.646 2.446 1.00 0.00 C ATOM 1610 C GLU A 100 16.804 -0.204 2.271 1.00 0.00 C ATOM 1611 O GLU A 100 15.850 0.060 1.538 1.00 0.00 O ATOM 1612 CB GLU A 100 17.837 -2.203 1.131 1.00 0.00 C ATOM 1613 CG GLU A 100 19.290 -1.844 0.855 1.00 0.00 C ATOM 1614 CD GLU A 100 19.505 -0.370 0.611 1.00 0.00 C ATOM 1615 OE1 GLU A 100 19.141 0.120 -0.477 1.00 0.00 O ATOM 1616 OE2 GLU A 100 20.044 0.300 1.508 1.00 0.00 O ATOM 0 H GLU A 100 15.336 -2.405 2.274 1.00 0.00 H new ATOM 0 HA GLU A 100 18.063 -1.659 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 100 17.742 -3.289 1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.224 -1.838 0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 100 19.902 -2.158 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 100 19.636 -2.403 -0.014 1.00 0.00 H new ATOM 1623 N HIS A 101 17.460 0.723 2.956 1.00 0.00 N ATOM 1624 CA HIS A 101 17.083 2.127 2.885 1.00 0.00 C ATOM 1625 C HIS A 101 18.322 3.023 2.843 1.00 0.00 C ATOM 1626 O HIS A 101 18.585 3.785 3.772 1.00 0.00 O ATOM 1627 CB HIS A 101 16.190 2.497 4.080 1.00 0.00 C ATOM 1628 CG HIS A 101 15.585 3.867 3.993 1.00 0.00 C ATOM 1629 ND1 HIS A 101 16.038 4.937 4.733 1.00 0.00 N ATOM 1630 CD2 HIS A 101 14.552 4.334 3.255 1.00 0.00 C ATOM 1631 CE1 HIS A 101 15.310 6.001 4.455 1.00 0.00 C ATOM 1632 NE2 HIS A 101 14.400 5.663 3.564 1.00 0.00 N ATOM 0 H HIS A 101 18.254 0.528 3.566 1.00 0.00 H new ATOM 0 HA HIS A 101 16.521 2.286 1.965 1.00 0.00 H new ATOM 0 HB2 HIS A 101 15.389 1.763 4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 101 16.779 2.429 4.995 1.00 0.00 H new ATOM 0 HD2 HIS A 101 13.958 3.767 2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 101 15.438 6.983 4.885 1.00 0.00 H new ATOM 0 HE2 HIS A 101 13.697 6.287 3.168 1.00 0.00 H new ATOM 1641 N HIS A 102 19.112 2.890 1.787 1.00 0.00 N ATOM 1642 CA HIS A 102 20.217 3.811 1.547 1.00 0.00 C ATOM 1643 C HIS A 102 19.783 4.901 0.585 1.00 0.00 C ATOM 1644 O HIS A 102 19.402 5.987 1.015 1.00 0.00 O ATOM 1645 CB HIS A 102 21.454 3.090 0.997 1.00 0.00 C ATOM 1646 CG HIS A 102 22.326 2.501 2.055 1.00 0.00 C ATOM 1647 ND1 HIS A 102 22.343 1.162 2.350 1.00 0.00 N ATOM 1648 CD2 HIS A 102 23.223 3.079 2.885 1.00 0.00 C ATOM 1649 CE1 HIS A 102 23.212 0.936 3.315 1.00 0.00 C ATOM 1650 NE2 HIS A 102 23.762 2.084 3.660 1.00 0.00 N ATOM 0 H HIS A 102 19.010 2.157 1.085 1.00 0.00 H new ATOM 0 HA HIS A 102 20.491 4.254 2.504 1.00 0.00 H new ATOM 0 HB2 HIS A 102 21.131 2.297 0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 102 22.040 3.793 0.406 1.00 0.00 H new ATOM 0 HD1 HIS A 102 21.772 0.451 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 102 23.469 4.130 2.930 1.00 0.00 H new ATOM 0 HE1 HIS A 102 23.436 -0.027 3.750 1.00 0.00 H new ATOM 1659 N HIS A 103 19.810 4.583 -0.711 1.00 0.00 N ATOM 1660 CA HIS A 103 19.421 5.524 -1.762 1.00 0.00 C ATOM 1661 C HIS A 103 20.260 6.798 -1.673 1.00 0.00 C ATOM 1662 O HIS A 103 19.914 7.719 -0.931 1.00 0.00 O ATOM 1663 CB HIS A 103 17.923 5.859 -1.655 1.00 0.00 C ATOM 1664 CG HIS A 103 17.361 6.572 -2.850 1.00 0.00 C ATOM 1665 ND1 HIS A 103 16.663 5.922 -3.843 1.00 0.00 N ATOM 1666 CD2 HIS A 103 17.379 7.882 -3.203 1.00 0.00 C ATOM 1667 CE1 HIS A 103 16.277 6.797 -4.753 1.00 0.00 C ATOM 1668 NE2 HIS A 103 16.697 7.994 -4.390 1.00 0.00 N ATOM 0 H HIS A 103 20.101 3.670 -1.060 1.00 0.00 H new ATOM 0 HA HIS A 103 19.602 5.057 -2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 103 17.366 4.934 -1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 103 17.763 6.476 -0.771 1.00 0.00 H new ATOM 0 HD2 HIS A 103 17.843 8.687 -2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 103 15.712 6.571 -5.645 1.00 0.00 H new ATOM 0 HE2 HIS A 103 16.541 8.860 -4.906 1.00 0.00 H new ATOM 1677 N HIS A 104 21.365 6.847 -2.417 1.00 0.00 N ATOM 1678 CA HIS A 104 22.265 7.996 -2.344 1.00 0.00 C ATOM 1679 C HIS A 104 21.494 9.273 -2.667 1.00 0.00 C ATOM 1680 O HIS A 104 20.825 9.366 -3.697 1.00 0.00 O ATOM 1681 CB HIS A 104 23.489 7.827 -3.269 1.00 0.00 C ATOM 1682 CG HIS A 104 23.239 8.084 -4.729 1.00 0.00 C ATOM 1683 ND1 HIS A 104 22.759 7.127 -5.596 1.00 0.00 N ATOM 1684 CD2 HIS A 104 23.420 9.203 -5.473 1.00 0.00 C ATOM 1685 CE1 HIS A 104 22.657 7.644 -6.806 1.00 0.00 C ATOM 1686 NE2 HIS A 104 23.050 8.900 -6.758 1.00 0.00 N ATOM 0 H HIS A 104 21.655 6.117 -3.067 1.00 0.00 H new ATOM 0 HA HIS A 104 22.652 8.066 -1.328 1.00 0.00 H new ATOM 0 HB2 HIS A 104 24.275 8.501 -2.929 1.00 0.00 H new ATOM 0 HB3 HIS A 104 23.869 6.812 -3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 104 23.787 10.155 -5.119 1.00 0.00 H new ATOM 0 HE1 HIS A 104 22.310 7.125 -7.687 1.00 0.00 H new ATOM 0 HE2 HIS A 104 23.075 9.543 -7.549 1.00 0.00 H new ATOM 1695 N HIS A 105 21.564 10.236 -1.768 1.00 0.00 N ATOM 1696 CA HIS A 105 20.770 11.448 -1.898 1.00 0.00 C ATOM 1697 C HIS A 105 21.651 12.642 -2.223 1.00 0.00 C ATOM 1698 O HIS A 105 22.875 12.521 -2.313 1.00 0.00 O ATOM 1699 CB HIS A 105 19.980 11.714 -0.604 1.00 0.00 C ATOM 1700 CG HIS A 105 20.833 12.062 0.584 1.00 0.00 C ATOM 1701 ND1 HIS A 105 21.238 13.349 0.881 1.00 0.00 N ATOM 1702 CD2 HIS A 105 21.358 11.277 1.554 1.00 0.00 C ATOM 1703 CE1 HIS A 105 21.973 13.335 1.977 1.00 0.00 C ATOM 1704 NE2 HIS A 105 22.062 12.090 2.405 1.00 0.00 N ATOM 0 H HIS A 105 22.160 10.205 -0.941 1.00 0.00 H new ATOM 0 HA HIS A 105 20.068 11.304 -2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 105 19.278 12.528 -0.782 1.00 0.00 H new ATOM 0 HB3 HIS A 105 19.389 10.830 -0.365 1.00 0.00 H new ATOM 0 HD1 HIS A 105 21.005 14.180 0.338 1.00 0.00 H new ATOM 0 HD2 HIS A 105 21.243 10.207 1.642 1.00 0.00 H new ATOM 0 HE1 HIS A 105 22.425 14.197 2.445 1.00 0.00 H new ATOM 1713 N HIS A 106 21.024 13.793 -2.390 1.00 0.00 N ATOM 1714 CA HIS A 106 21.750 15.029 -2.593 1.00 0.00 C ATOM 1715 C HIS A 106 21.269 16.057 -1.578 1.00 0.00 C ATOM 1716 O HIS A 106 20.566 17.012 -1.965 1.00 0.00 O ATOM 1717 CB HIS A 106 21.558 15.540 -4.025 1.00 0.00 C ATOM 1718 CG HIS A 106 22.498 16.647 -4.393 1.00 0.00 C ATOM 1719 ND1 HIS A 106 23.847 16.450 -4.575 1.00 0.00 N ATOM 1720 CD2 HIS A 106 22.281 17.965 -4.605 1.00 0.00 C ATOM 1721 CE1 HIS A 106 24.419 17.597 -4.881 1.00 0.00 C ATOM 1722 NE2 HIS A 106 23.492 18.535 -4.906 1.00 0.00 N ATOM 1723 OXT HIS A 106 21.561 15.871 -0.380 1.00 0.00 O ATOM 0 H HIS A 106 20.009 13.895 -2.389 1.00 0.00 H new ATOM 0 HA HIS A 106 22.816 14.854 -2.449 1.00 0.00 H new ATOM 0 HB2 HIS A 106 21.695 14.711 -4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 106 20.532 15.890 -4.144 1.00 0.00 H new ATOM 0 HD2 HIS A 106 21.330 18.474 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 106 25.471 17.744 -5.078 1.00 0.00 H new ATOM 0 HE2 HIS A 106 23.649 19.521 -5.115 1.00 0.00 H new TER 1732 HIS A 106