USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=29 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 62 GLN : amide:sc= -0.322 K(o=0.48,f=-12!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0.798 (180deg=-0.263) USER MOD Set 2.1: A 29 ASN : amide:sc= -0.0236 K(o=1.3,f=0.26!) USER MOD Set 2.2: A 33 THR OG1 : rot 84:sc= 1.29 USER MOD Set 3.1: A 20 ASN : amide:sc= 0.738 K(o=0.68,f=-2) USER MOD Set 3.2: A 21 THR OG1 : rot -87:sc= -0.0605 USER MOD Single : A 1 MET CE :methyl 169:sc= -0.693 (180deg=-0.981) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -97:sc= 0.415 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 110:sc= -0.69 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0315 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.2) USER MOD Single : A 23 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 28 THR OG1 : rot 77:sc= -0.0118 USER MOD Single : A 30 THR OG1 : rot -83:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0497) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 43 SER OG : rot 180:sc= 0.124 USER MOD Single : A 45 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.9) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.111) USER MOD Single : A 53 MET CE :methyl -110:sc= -1.51 (180deg=-1.99) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.17) USER MOD Single : A 66 THR OG1 : rot -11:sc= 0.865 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 75:sc= 1.23 USER MOD Single : A 82 THR OG1 : rot 64:sc= 1.34 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -5.35! C(o=-5.4!,f=-13!) USER MOD Single : A 98 TYR OH : rot 81:sc= 0.0171 USER MOD Single : A 101 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.7!) USER MOD Single : A 102 HIS : no HD1:sc= 0.511 K(o=0.51,f=-3.9!) USER MOD Single : A 103 HIS : no HD1:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 104 HIS : no HE2:sc= -0.0746 K(o=-0.075,f=-0.66) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.221 1.943 4.321 1.00 0.00 N ATOM 2 CA MET A 1 -15.037 2.149 3.459 1.00 0.00 C ATOM 3 C MET A 1 -14.052 1.004 3.627 1.00 0.00 C ATOM 4 O MET A 1 -13.647 0.677 4.743 1.00 0.00 O ATOM 5 CB MET A 1 -14.336 3.471 3.793 1.00 0.00 C ATOM 6 CG MET A 1 -13.112 3.733 2.922 1.00 0.00 C ATOM 7 SD MET A 1 -13.538 4.043 1.196 1.00 0.00 S ATOM 8 CE MET A 1 -14.574 5.499 1.354 1.00 0.00 C ATOM 0 H1 MET A 1 -16.884 2.734 4.195 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.690 1.052 4.059 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.922 1.898 5.316 1.00 0.00 H new ATOM 0 HA MET A 1 -15.383 2.184 2.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.043 4.292 3.672 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.034 3.461 4.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.567 4.590 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.441 2.876 2.978 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.755 5.926 0.367 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.525 5.221 1.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.073 6.236 1.981 1.00 0.00 H new ATOM 20 N THR A 2 -13.668 0.398 2.518 1.00 0.00 N ATOM 21 CA THR A 2 -12.660 -0.644 2.534 1.00 0.00 C ATOM 22 C THR A 2 -11.336 -0.090 2.024 1.00 0.00 C ATOM 23 O THR A 2 -11.290 1.018 1.478 1.00 0.00 O ATOM 24 CB THR A 2 -13.081 -1.862 1.685 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.364 -1.457 0.340 1.00 0.00 O ATOM 26 CG2 THR A 2 -14.305 -2.545 2.279 1.00 0.00 C ATOM 0 H THR A 2 -14.041 0.611 1.593 1.00 0.00 H new ATOM 0 HA THR A 2 -12.546 -0.981 3.564 1.00 0.00 H new ATOM 0 HB THR A 2 -12.253 -2.570 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 2 -14.329 -1.324 0.235 1.00 0.00 H new ATOM 0 HG21 THR A 2 -14.580 -3.400 1.661 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.077 -2.886 3.289 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.135 -1.839 2.313 1.00 0.00 H new ATOM 34 N PHE A 3 -10.265 -0.848 2.211 1.00 0.00 N ATOM 35 CA PHE A 3 -8.943 -0.426 1.775 1.00 0.00 C ATOM 36 C PHE A 3 -8.915 -0.243 0.264 1.00 0.00 C ATOM 37 O PHE A 3 -8.354 0.728 -0.236 1.00 0.00 O ATOM 38 CB PHE A 3 -7.884 -1.444 2.213 1.00 0.00 C ATOM 39 CG PHE A 3 -6.478 -1.050 1.859 1.00 0.00 C ATOM 40 CD1 PHE A 3 -5.818 -0.070 2.582 1.00 0.00 C ATOM 41 CD2 PHE A 3 -5.815 -1.667 0.812 1.00 0.00 C ATOM 42 CE1 PHE A 3 -4.524 0.289 2.266 1.00 0.00 C ATOM 43 CE2 PHE A 3 -4.518 -1.310 0.491 1.00 0.00 C ATOM 44 CZ PHE A 3 -3.873 -0.332 1.220 1.00 0.00 C ATOM 0 H PHE A 3 -10.287 -1.762 2.664 1.00 0.00 H new ATOM 0 HA PHE A 3 -8.714 0.532 2.242 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.951 -1.582 3.292 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -8.108 -2.407 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -6.322 0.419 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -6.315 -2.435 0.240 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -4.021 1.055 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -4.011 -1.796 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.860 -0.053 0.972 1.00 0.00 H new ATOM 54 N SER A 4 -9.549 -1.165 -0.453 1.00 0.00 N ATOM 55 CA SER A 4 -9.613 -1.098 -1.907 1.00 0.00 C ATOM 56 C SER A 4 -10.301 0.187 -2.369 1.00 0.00 C ATOM 57 O SER A 4 -9.832 0.853 -3.289 1.00 0.00 O ATOM 58 CB SER A 4 -10.362 -2.313 -2.454 1.00 0.00 C ATOM 59 OG SER A 4 -9.835 -3.523 -1.930 1.00 0.00 O ATOM 0 H SER A 4 -10.027 -1.970 -0.048 1.00 0.00 H new ATOM 0 HA SER A 4 -8.593 -1.097 -2.292 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.419 -2.235 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.294 -2.325 -3.542 1.00 0.00 H new ATOM 0 HG SER A 4 -10.334 -4.283 -2.296 1.00 0.00 H new ATOM 65 N GLU A 5 -11.405 0.531 -1.713 1.00 0.00 N ATOM 66 CA GLU A 5 -12.172 1.718 -2.068 1.00 0.00 C ATOM 67 C GLU A 5 -11.376 2.990 -1.800 1.00 0.00 C ATOM 68 O GLU A 5 -11.329 3.893 -2.634 1.00 0.00 O ATOM 69 CB GLU A 5 -13.470 1.750 -1.271 1.00 0.00 C ATOM 70 CG GLU A 5 -14.431 0.635 -1.624 1.00 0.00 C ATOM 71 CD GLU A 5 -15.652 0.625 -0.733 1.00 0.00 C ATOM 72 OE1 GLU A 5 -16.614 1.364 -1.023 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.656 -0.129 0.262 1.00 0.00 O ATOM 0 H GLU A 5 -11.789 0.002 -0.930 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.394 1.672 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.235 1.691 -0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.963 2.708 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.743 0.743 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.918 -0.323 -1.543 1.00 0.00 H new ATOM 80 N CYS A 6 -10.751 3.049 -0.635 1.00 0.00 N ATOM 81 CA CYS A 6 -9.980 4.220 -0.239 1.00 0.00 C ATOM 82 C CYS A 6 -8.768 4.378 -1.145 1.00 0.00 C ATOM 83 O CYS A 6 -8.417 5.486 -1.556 1.00 0.00 O ATOM 84 CB CYS A 6 -9.540 4.093 1.217 1.00 0.00 C ATOM 85 SG CYS A 6 -8.979 5.643 1.959 1.00 0.00 S ATOM 0 H CYS A 6 -10.762 2.298 0.056 1.00 0.00 H new ATOM 0 HA CYS A 6 -10.608 5.105 -0.337 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -10.372 3.702 1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.735 3.361 1.279 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.847 6.041 2.841 1.00 0.00 H new ATOM 91 N ALA A 7 -8.138 3.256 -1.456 1.00 0.00 N ATOM 92 CA ALA A 7 -7.038 3.240 -2.412 1.00 0.00 C ATOM 93 C ALA A 7 -7.512 3.747 -3.770 1.00 0.00 C ATOM 94 O ALA A 7 -6.841 4.559 -4.408 1.00 0.00 O ATOM 95 CB ALA A 7 -6.458 1.837 -2.533 1.00 0.00 C ATOM 0 H ALA A 7 -8.368 2.344 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.252 3.903 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.638 1.843 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.087 1.511 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.233 1.151 -2.874 1.00 0.00 H new ATOM 101 N ALA A 8 -8.689 3.291 -4.186 1.00 0.00 N ATOM 102 CA ALA A 8 -9.278 3.708 -5.452 1.00 0.00 C ATOM 103 C ALA A 8 -9.534 5.212 -5.469 1.00 0.00 C ATOM 104 O ALA A 8 -9.416 5.851 -6.510 1.00 0.00 O ATOM 105 CB ALA A 8 -10.568 2.944 -5.715 1.00 0.00 C ATOM 0 H ALA A 8 -9.257 2.627 -3.659 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.569 3.478 -6.247 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.995 3.267 -6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.356 1.876 -5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.278 3.141 -4.912 1.00 0.00 H new ATOM 111 N LEU A 9 -9.883 5.772 -4.315 1.00 0.00 N ATOM 112 CA LEU A 9 -10.077 7.213 -4.201 1.00 0.00 C ATOM 113 C LEU A 9 -8.780 7.945 -4.529 1.00 0.00 C ATOM 114 O LEU A 9 -8.761 8.862 -5.346 1.00 0.00 O ATOM 115 CB LEU A 9 -10.542 7.588 -2.788 1.00 0.00 C ATOM 116 CG LEU A 9 -11.870 6.975 -2.344 1.00 0.00 C ATOM 117 CD1 LEU A 9 -12.165 7.350 -0.901 1.00 0.00 C ATOM 118 CD2 LEU A 9 -13.000 7.434 -3.251 1.00 0.00 C ATOM 0 H LEU A 9 -10.037 5.253 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.847 7.511 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.770 7.289 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.626 8.673 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.791 5.890 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.113 6.907 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.368 6.977 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.226 8.435 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.937 6.987 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.081 8.520 -3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.793 7.124 -4.275 1.00 0.00 H new ATOM 130 N TYR A 10 -7.694 7.505 -3.901 1.00 0.00 N ATOM 131 CA TYR A 10 -6.369 8.075 -4.129 1.00 0.00 C ATOM 132 C TYR A 10 -5.981 7.968 -5.600 1.00 0.00 C ATOM 133 O TYR A 10 -5.485 8.923 -6.204 1.00 0.00 O ATOM 134 CB TYR A 10 -5.343 7.337 -3.260 1.00 0.00 C ATOM 135 CG TYR A 10 -3.913 7.810 -3.433 1.00 0.00 C ATOM 136 CD1 TYR A 10 -3.507 9.050 -2.959 1.00 0.00 C ATOM 137 CD2 TYR A 10 -2.968 7.010 -4.068 1.00 0.00 C ATOM 138 CE1 TYR A 10 -2.203 9.480 -3.112 1.00 0.00 C ATOM 139 CE2 TYR A 10 -1.661 7.435 -4.224 1.00 0.00 C ATOM 140 CZ TYR A 10 -1.285 8.670 -3.746 1.00 0.00 C ATOM 141 OH TYR A 10 0.015 9.097 -3.898 1.00 0.00 O ATOM 0 H TYR A 10 -7.707 6.745 -3.221 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.387 9.131 -3.858 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.625 7.450 -2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.390 6.273 -3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.222 9.689 -2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.260 6.041 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.904 10.447 -2.736 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.939 6.801 -4.718 1.00 0.00 H new ATOM 0 HH TYR A 10 0.533 8.408 -4.364 1.00 0.00 H new ATOM 151 N ILE A 11 -6.229 6.798 -6.162 1.00 0.00 N ATOM 152 CA ILE A 11 -5.871 6.508 -7.541 1.00 0.00 C ATOM 153 C ILE A 11 -6.725 7.301 -8.533 1.00 0.00 C ATOM 154 O ILE A 11 -6.194 7.972 -9.417 1.00 0.00 O ATOM 155 CB ILE A 11 -6.008 4.996 -7.826 1.00 0.00 C ATOM 156 CG1 ILE A 11 -5.018 4.211 -6.960 1.00 0.00 C ATOM 157 CG2 ILE A 11 -5.781 4.698 -9.301 1.00 0.00 C ATOM 158 CD1 ILE A 11 -5.189 2.712 -7.041 1.00 0.00 C ATOM 0 H ILE A 11 -6.683 6.024 -5.678 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.833 6.812 -7.676 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.022 4.686 -7.574 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.003 4.468 -7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.130 4.524 -5.922 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.883 3.627 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.518 5.235 -9.898 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.779 5.019 -9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.452 2.227 -6.401 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.192 2.442 -6.710 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.046 2.385 -8.071 1.00 0.00 H new ATOM 170 N LYS A 12 -8.045 7.256 -8.363 1.00 0.00 N ATOM 171 CA LYS A 12 -8.960 7.899 -9.304 1.00 0.00 C ATOM 172 C LYS A 12 -8.859 9.416 -9.230 1.00 0.00 C ATOM 173 O LYS A 12 -8.984 10.100 -10.246 1.00 0.00 O ATOM 174 CB LYS A 12 -10.406 7.461 -9.053 1.00 0.00 C ATOM 175 CG LYS A 12 -10.691 6.025 -9.466 1.00 0.00 C ATOM 176 CD LYS A 12 -12.166 5.686 -9.318 1.00 0.00 C ATOM 177 CE LYS A 12 -12.597 5.672 -7.860 1.00 0.00 C ATOM 178 NZ LYS A 12 -14.061 5.467 -7.722 1.00 0.00 N ATOM 0 H LYS A 12 -8.504 6.782 -7.585 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.666 7.583 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.632 7.576 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.077 8.126 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.384 5.875 -10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.097 5.345 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.763 6.414 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.362 4.711 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.067 4.879 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.315 6.613 -7.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.318 5.463 -6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.566 6.237 -8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.326 4.557 -8.150 1.00 0.00 H new ATOM 192 N ALA A 13 -8.616 9.943 -8.036 1.00 0.00 N ATOM 193 CA ALA A 13 -8.513 11.388 -7.850 1.00 0.00 C ATOM 194 C ALA A 13 -7.244 11.950 -8.490 1.00 0.00 C ATOM 195 O ALA A 13 -7.045 13.165 -8.534 1.00 0.00 O ATOM 196 CB ALA A 13 -8.552 11.740 -6.370 1.00 0.00 C ATOM 0 H ALA A 13 -8.487 9.396 -7.185 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.369 11.843 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.474 12.821 -6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.491 11.394 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.719 11.258 -5.859 1.00 0.00 H new ATOM 202 N HIS A 14 -6.381 11.065 -8.977 1.00 0.00 N ATOM 203 CA HIS A 14 -5.141 11.483 -9.619 1.00 0.00 C ATOM 204 C HIS A 14 -4.930 10.748 -10.937 1.00 0.00 C ATOM 205 O HIS A 14 -3.871 10.864 -11.543 1.00 0.00 O ATOM 206 CB HIS A 14 -3.939 11.219 -8.700 1.00 0.00 C ATOM 207 CG HIS A 14 -3.956 12.002 -7.429 1.00 0.00 C ATOM 208 ND1 HIS A 14 -4.343 11.464 -6.222 1.00 0.00 N ATOM 209 CD2 HIS A 14 -3.615 13.286 -7.177 1.00 0.00 C ATOM 210 CE1 HIS A 14 -4.241 12.384 -5.282 1.00 0.00 C ATOM 211 NE2 HIS A 14 -3.802 13.497 -5.836 1.00 0.00 N ATOM 0 H HIS A 14 -6.517 10.055 -8.939 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.221 12.552 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.907 10.157 -8.459 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.023 11.450 -9.244 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.659 10.505 -6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.262 14.009 -7.897 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.477 12.249 -4.237 1.00 0.00 H new ATOM 220 N ARG A 15 -5.944 10.015 -11.397 1.00 0.00 N ATOM 221 CA ARG A 15 -5.781 9.144 -12.562 1.00 0.00 C ATOM 222 C ARG A 15 -5.485 9.946 -13.828 1.00 0.00 C ATOM 223 O ARG A 15 -4.698 9.516 -14.672 1.00 0.00 O ATOM 224 CB ARG A 15 -7.012 8.248 -12.764 1.00 0.00 C ATOM 225 CG ARG A 15 -8.261 8.965 -13.257 1.00 0.00 C ATOM 226 CD ARG A 15 -9.386 7.972 -13.504 1.00 0.00 C ATOM 227 NE ARG A 15 -10.549 8.583 -14.155 1.00 0.00 N ATOM 228 CZ ARG A 15 -11.442 7.892 -14.869 1.00 0.00 C ATOM 229 NH1 ARG A 15 -11.269 6.588 -15.064 1.00 0.00 N ATOM 230 NH2 ARG A 15 -12.488 8.504 -15.408 1.00 0.00 N ATOM 0 H ARG A 15 -6.878 10.006 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.922 8.503 -12.366 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.758 7.463 -13.477 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.243 7.757 -11.819 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.577 9.705 -12.521 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.037 9.506 -14.177 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.015 7.156 -14.124 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.694 7.535 -12.554 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.683 9.589 -14.058 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.455 6.117 -14.669 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.950 6.059 -15.609 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.614 9.508 -15.278 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.166 7.971 -15.952 1.00 0.00 H new ATOM 244 N SER A 16 -6.097 11.117 -13.951 1.00 0.00 N ATOM 245 CA SER A 16 -5.866 11.984 -15.087 1.00 0.00 C ATOM 246 C SER A 16 -4.486 12.627 -14.999 1.00 0.00 C ATOM 247 O SER A 16 -3.886 12.985 -16.009 1.00 0.00 O ATOM 248 CB SER A 16 -6.952 13.051 -15.124 1.00 0.00 C ATOM 249 OG SER A 16 -8.238 12.452 -15.106 1.00 0.00 O ATOM 0 H SER A 16 -6.761 11.485 -13.270 1.00 0.00 H new ATOM 0 HA SER A 16 -5.902 11.397 -16.005 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.843 13.719 -14.269 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.841 13.661 -16.021 1.00 0.00 H new ATOM 0 HG SER A 16 -8.925 13.151 -15.128 1.00 0.00 H new ATOM 255 N SER A 17 -3.986 12.750 -13.781 1.00 0.00 N ATOM 256 CA SER A 17 -2.688 13.339 -13.538 1.00 0.00 C ATOM 257 C SER A 17 -1.585 12.287 -13.641 1.00 0.00 C ATOM 258 O SER A 17 -0.403 12.616 -13.716 1.00 0.00 O ATOM 259 CB SER A 17 -2.680 13.969 -12.150 1.00 0.00 C ATOM 260 OG SER A 17 -3.760 14.878 -11.996 1.00 0.00 O ATOM 0 H SER A 17 -4.470 12.444 -12.937 1.00 0.00 H new ATOM 0 HA SER A 17 -2.497 14.102 -14.293 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.747 13.188 -11.392 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.736 14.490 -11.989 1.00 0.00 H new ATOM 0 HG SER A 17 -3.734 15.268 -11.097 1.00 0.00 H new ATOM 266 N TRP A 18 -1.979 11.020 -13.658 1.00 0.00 N ATOM 267 CA TRP A 18 -1.024 9.922 -13.681 1.00 0.00 C ATOM 268 C TRP A 18 -0.716 9.463 -15.102 1.00 0.00 C ATOM 269 O TRP A 18 -0.418 8.294 -15.343 1.00 0.00 O ATOM 270 CB TRP A 18 -1.519 8.757 -12.822 1.00 0.00 C ATOM 271 CG TRP A 18 -1.272 8.972 -11.357 1.00 0.00 C ATOM 272 CD1 TRP A 18 -0.590 10.008 -10.787 1.00 0.00 C ATOM 273 CD2 TRP A 18 -1.686 8.127 -10.280 1.00 0.00 C ATOM 274 NE1 TRP A 18 -0.559 9.861 -9.422 1.00 0.00 N ATOM 275 CE2 TRP A 18 -1.224 8.713 -9.087 1.00 0.00 C ATOM 276 CE3 TRP A 18 -2.406 6.937 -10.209 1.00 0.00 C ATOM 277 CZ2 TRP A 18 -1.458 8.144 -7.838 1.00 0.00 C ATOM 278 CZ3 TRP A 18 -2.635 6.371 -8.970 1.00 0.00 C ATOM 279 CH2 TRP A 18 -2.163 6.975 -7.800 1.00 0.00 C ATOM 0 H TRP A 18 -2.956 10.728 -13.656 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.091 10.292 -13.256 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.587 8.615 -12.989 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -1.022 7.840 -13.139 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.140 10.825 -11.331 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.113 10.502 -8.766 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.778 6.465 -11.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.096 8.610 -6.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.188 5.446 -8.903 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.360 6.507 -6.847 1.00 0.00 H new ATOM 290 N LYS A 19 -0.772 10.402 -16.037 1.00 0.00 N ATOM 291 CA LYS A 19 -0.211 10.203 -17.351 1.00 0.00 C ATOM 292 C LYS A 19 1.275 10.259 -17.177 1.00 0.00 C ATOM 293 O LYS A 19 1.769 11.023 -16.342 1.00 0.00 O ATOM 294 CB LYS A 19 -0.703 11.281 -18.323 1.00 0.00 C ATOM 295 CG LYS A 19 -2.208 11.259 -18.547 1.00 0.00 C ATOM 296 CD LYS A 19 -2.669 12.401 -19.444 1.00 0.00 C ATOM 297 CE LYS A 19 -2.473 13.755 -18.778 1.00 0.00 C ATOM 298 NZ LYS A 19 -2.968 14.871 -19.627 1.00 0.00 N ATOM 0 H LYS A 19 -1.206 11.315 -15.900 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.518 9.248 -17.778 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.415 12.261 -17.942 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.200 11.151 -19.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.494 10.308 -18.996 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.718 11.324 -17.586 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.115 12.373 -20.382 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.722 12.267 -19.692 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.996 13.768 -17.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.415 13.904 -18.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.815 15.775 -19.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.452 14.876 -20.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.984 14.744 -19.810 1.00 0.00 H new ATOM 312 N ASN A 20 2.010 9.487 -17.933 1.00 0.00 N ATOM 313 CA ASN A 20 1.578 8.859 -19.164 1.00 0.00 C ATOM 314 C ASN A 20 1.115 7.425 -18.940 1.00 0.00 C ATOM 315 O ASN A 20 1.747 6.662 -18.213 1.00 0.00 O ATOM 316 CB ASN A 20 2.724 8.890 -20.185 1.00 0.00 C ATOM 317 CG ASN A 20 2.379 8.194 -21.488 1.00 0.00 C ATOM 318 OD1 ASN A 20 2.610 6.995 -21.644 1.00 0.00 O ATOM 319 ND2 ASN A 20 1.830 8.940 -22.434 1.00 0.00 N ATOM 0 H ASN A 20 2.977 9.265 -17.699 1.00 0.00 H new ATOM 0 HA ASN A 20 0.725 9.420 -19.546 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.989 9.927 -20.393 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.604 8.417 -19.749 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.582 8.524 -23.332 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.655 9.931 -22.265 1.00 0.00 H new ATOM 326 N THR A 21 -0.042 7.136 -19.510 1.00 0.00 N ATOM 327 CA THR A 21 -0.614 5.777 -19.623 1.00 0.00 C ATOM 328 C THR A 21 -1.016 5.162 -18.278 1.00 0.00 C ATOM 329 O THR A 21 -1.138 5.870 -17.282 1.00 0.00 O ATOM 330 CB THR A 21 0.292 4.800 -20.434 1.00 0.00 C ATOM 331 OG1 THR A 21 1.672 4.900 -20.069 1.00 0.00 O ATOM 332 CG2 THR A 21 0.141 5.054 -21.922 1.00 0.00 C ATOM 0 H THR A 21 -0.639 7.852 -19.924 1.00 0.00 H new ATOM 0 HA THR A 21 -1.534 5.919 -20.189 1.00 0.00 H new ATOM 0 HB THR A 21 -0.040 3.790 -20.193 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.102 5.600 -20.603 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.779 4.365 -22.475 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.898 4.900 -22.214 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.433 6.080 -22.148 1.00 0.00 H new ATOM 340 N LYS A 22 -1.231 3.837 -18.272 1.00 0.00 N ATOM 341 CA LYS A 22 -1.946 3.128 -17.203 1.00 0.00 C ATOM 342 C LYS A 22 -1.188 3.026 -15.884 1.00 0.00 C ATOM 343 O LYS A 22 -1.289 2.012 -15.193 1.00 0.00 O ATOM 344 CB LYS A 22 -2.292 1.714 -17.645 1.00 0.00 C ATOM 345 CG LYS A 22 -3.314 1.633 -18.761 1.00 0.00 C ATOM 346 CD LYS A 22 -4.070 0.314 -18.718 1.00 0.00 C ATOM 347 CE LYS A 22 -3.139 -0.882 -18.813 1.00 0.00 C ATOM 348 NZ LYS A 22 -3.826 -2.151 -18.456 1.00 0.00 N ATOM 0 H LYS A 22 -0.909 3.222 -19.019 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.835 3.732 -17.023 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.379 1.215 -17.970 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.669 1.161 -16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.017 2.461 -18.675 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.814 1.738 -19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.642 0.255 -17.792 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.787 0.281 -19.538 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.745 -0.955 -19.827 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.287 -0.732 -18.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.170 -2.948 -18.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.135 -2.111 -17.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.654 -2.283 -19.072 1.00 0.00 H new ATOM 362 N HIS A 23 -0.455 4.052 -15.527 1.00 0.00 N ATOM 363 CA HIS A 23 0.196 4.101 -14.220 1.00 0.00 C ATOM 364 C HIS A 23 -0.829 3.909 -13.097 1.00 0.00 C ATOM 365 O HIS A 23 -0.539 3.272 -12.086 1.00 0.00 O ATOM 366 CB HIS A 23 0.957 5.418 -14.037 1.00 0.00 C ATOM 367 CG HIS A 23 2.239 5.478 -14.808 1.00 0.00 C ATOM 368 ND1 HIS A 23 3.298 6.284 -14.453 1.00 0.00 N ATOM 369 CD2 HIS A 23 2.631 4.819 -15.922 1.00 0.00 C ATOM 370 CE1 HIS A 23 4.283 6.116 -15.315 1.00 0.00 C ATOM 371 NE2 HIS A 23 3.902 5.231 -16.218 1.00 0.00 N ATOM 0 H HIS A 23 -0.288 4.869 -16.115 1.00 0.00 H new ATOM 0 HA HIS A 23 0.916 3.284 -14.171 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.317 6.244 -14.346 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.172 5.560 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.048 4.099 -16.477 1.00 0.00 H new ATOM 0 HE1 HIS A 23 5.239 6.618 -15.287 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.463 4.908 -17.006 1.00 0.00 H new ATOM 380 N ALA A 24 -2.036 4.432 -13.298 1.00 0.00 N ATOM 381 CA ALA A 24 -3.118 4.270 -12.330 1.00 0.00 C ATOM 382 C ALA A 24 -3.600 2.819 -12.280 1.00 0.00 C ATOM 383 O ALA A 24 -3.888 2.282 -11.206 1.00 0.00 O ATOM 384 CB ALA A 24 -4.274 5.203 -12.665 1.00 0.00 C ATOM 0 H ALA A 24 -2.290 4.973 -14.125 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.731 4.531 -11.345 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.072 5.070 -11.935 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.927 6.236 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.652 4.972 -13.661 1.00 0.00 H new ATOM 390 N ASP A 25 -3.673 2.182 -13.447 1.00 0.00 N ATOM 391 CA ASP A 25 -4.101 0.785 -13.537 1.00 0.00 C ATOM 392 C ASP A 25 -3.083 -0.110 -12.861 1.00 0.00 C ATOM 393 O ASP A 25 -3.436 -1.054 -12.163 1.00 0.00 O ATOM 394 CB ASP A 25 -4.278 0.367 -14.999 1.00 0.00 C ATOM 395 CG ASP A 25 -4.784 -1.058 -15.158 1.00 0.00 C ATOM 396 OD1 ASP A 25 -5.885 -1.367 -14.654 1.00 0.00 O ATOM 397 OD2 ASP A 25 -4.090 -1.870 -15.808 1.00 0.00 O ATOM 0 H ASP A 25 -3.442 2.610 -14.344 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.061 0.683 -13.031 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.976 1.050 -15.483 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.324 0.467 -15.517 1.00 0.00 H new ATOM 402 N GLN A 26 -1.815 0.226 -13.048 1.00 0.00 N ATOM 403 CA GLN A 26 -0.722 -0.485 -12.407 1.00 0.00 C ATOM 404 C GLN A 26 -0.872 -0.443 -10.888 1.00 0.00 C ATOM 405 O GLN A 26 -0.722 -1.461 -10.211 1.00 0.00 O ATOM 406 CB GLN A 26 0.612 0.138 -12.821 1.00 0.00 C ATOM 407 CG GLN A 26 0.952 -0.036 -14.293 1.00 0.00 C ATOM 408 CD GLN A 26 2.260 0.629 -14.666 1.00 0.00 C ATOM 409 OE1 GLN A 26 3.170 0.743 -13.845 1.00 0.00 O ATOM 410 NE2 GLN A 26 2.363 1.071 -15.908 1.00 0.00 N ATOM 0 H GLN A 26 -1.517 0.996 -13.646 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.747 -1.527 -12.726 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.591 1.203 -12.588 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.408 -0.304 -12.221 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.008 -1.099 -14.527 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.149 0.382 -14.900 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.584 0.956 -16.556 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.221 1.527 -16.218 1.00 0.00 H new ATOM 419 N TRP A 27 -1.180 0.736 -10.359 1.00 0.00 N ATOM 420 CA TRP A 27 -1.410 0.897 -8.926 1.00 0.00 C ATOM 421 C TRP A 27 -2.606 0.064 -8.467 1.00 0.00 C ATOM 422 O TRP A 27 -2.505 -0.711 -7.516 1.00 0.00 O ATOM 423 CB TRP A 27 -1.649 2.368 -8.588 1.00 0.00 C ATOM 424 CG TRP A 27 -0.393 3.157 -8.368 1.00 0.00 C ATOM 425 CD1 TRP A 27 0.537 3.516 -9.304 1.00 0.00 C ATOM 426 CD2 TRP A 27 0.060 3.703 -7.125 1.00 0.00 C ATOM 427 NE1 TRP A 27 1.548 4.236 -8.712 1.00 0.00 N ATOM 428 CE2 TRP A 27 1.273 4.369 -7.377 1.00 0.00 C ATOM 429 CE3 TRP A 27 -0.444 3.691 -5.822 1.00 0.00 C ATOM 430 CZ2 TRP A 27 1.990 5.014 -6.375 1.00 0.00 C ATOM 431 CZ3 TRP A 27 0.267 4.334 -4.829 1.00 0.00 C ATOM 432 CH2 TRP A 27 1.473 4.987 -5.111 1.00 0.00 C ATOM 0 H TRP A 27 -1.276 1.595 -10.900 1.00 0.00 H new ATOM 0 HA TRP A 27 -0.520 0.547 -8.403 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.217 2.828 -9.396 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.265 2.428 -7.691 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.485 3.270 -10.354 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.368 4.610 -9.189 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.373 3.188 -5.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.921 5.518 -6.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.113 4.333 -3.818 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.006 5.480 -4.312 1.00 0.00 H new ATOM 443 N THR A 28 -3.723 0.222 -9.164 1.00 0.00 N ATOM 444 CA THR A 28 -4.960 -0.470 -8.814 1.00 0.00 C ATOM 445 C THR A 28 -4.781 -1.987 -8.875 1.00 0.00 C ATOM 446 O THR A 28 -5.119 -2.705 -7.934 1.00 0.00 O ATOM 447 CB THR A 28 -6.106 -0.060 -9.765 1.00 0.00 C ATOM 448 OG1 THR A 28 -6.171 1.369 -9.868 1.00 0.00 O ATOM 449 CG2 THR A 28 -7.441 -0.595 -9.267 1.00 0.00 C ATOM 0 H THR A 28 -3.800 0.827 -9.981 1.00 0.00 H new ATOM 0 HA THR A 28 -5.213 -0.182 -7.794 1.00 0.00 H new ATOM 0 HB THR A 28 -5.903 -0.488 -10.747 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.454 1.688 -10.455 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.233 -0.293 -9.953 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.401 -1.683 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.647 -0.192 -8.275 1.00 0.00 H new ATOM 457 N ASN A 29 -4.215 -2.450 -9.977 1.00 0.00 N ATOM 458 CA ASN A 29 -4.099 -3.873 -10.263 1.00 0.00 C ATOM 459 C ASN A 29 -3.218 -4.582 -9.235 1.00 0.00 C ATOM 460 O ASN A 29 -3.600 -5.622 -8.690 1.00 0.00 O ATOM 461 CB ASN A 29 -3.527 -4.055 -11.675 1.00 0.00 C ATOM 462 CG ASN A 29 -3.796 -5.424 -12.271 1.00 0.00 C ATOM 463 OD1 ASN A 29 -3.823 -6.441 -11.577 1.00 0.00 O ATOM 464 ND2 ASN A 29 -4.016 -5.451 -13.577 1.00 0.00 N ATOM 0 H ASN A 29 -3.822 -1.849 -10.701 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.090 -4.323 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.951 -3.294 -12.330 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.450 -3.887 -11.646 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.217 -6.336 -14.042 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.985 -4.586 -14.117 1.00 0.00 H new ATOM 471 N THR A 30 -2.052 -4.015 -8.956 1.00 0.00 N ATOM 472 CA THR A 30 -1.106 -4.640 -8.040 1.00 0.00 C ATOM 473 C THR A 30 -1.663 -4.714 -6.618 1.00 0.00 C ATOM 474 O THR A 30 -1.676 -5.785 -6.001 1.00 0.00 O ATOM 475 CB THR A 30 0.243 -3.892 -8.030 1.00 0.00 C ATOM 476 OG1 THR A 30 0.025 -2.485 -7.861 1.00 0.00 O ATOM 477 CG2 THR A 30 1.015 -4.144 -9.318 1.00 0.00 C ATOM 0 H THR A 30 -1.739 -3.127 -9.349 1.00 0.00 H new ATOM 0 HA THR A 30 -0.943 -5.655 -8.401 1.00 0.00 H new ATOM 0 HB THR A 30 0.834 -4.268 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.187 -2.080 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.962 -3.606 -9.286 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.208 -5.212 -9.424 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.428 -3.796 -10.168 1.00 0.00 H new ATOM 485 N ILE A 31 -2.141 -3.584 -6.112 1.00 0.00 N ATOM 486 CA ILE A 31 -2.671 -3.517 -4.756 1.00 0.00 C ATOM 487 C ILE A 31 -3.874 -4.444 -4.590 1.00 0.00 C ATOM 488 O ILE A 31 -3.978 -5.173 -3.602 1.00 0.00 O ATOM 489 CB ILE A 31 -3.069 -2.071 -4.379 1.00 0.00 C ATOM 490 CG1 ILE A 31 -1.841 -1.152 -4.425 1.00 0.00 C ATOM 491 CG2 ILE A 31 -3.713 -2.033 -2.999 1.00 0.00 C ATOM 492 CD1 ILE A 31 -2.154 0.304 -4.142 1.00 0.00 C ATOM 0 H ILE A 31 -2.173 -2.701 -6.621 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.879 -3.845 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.799 -1.713 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.108 -1.504 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.378 -1.230 -5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.986 -1.007 -2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.607 -2.656 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.008 -2.409 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.236 0.890 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.862 0.675 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.589 0.396 -3.147 1.00 0.00 H new ATOM 504 N LYS A 32 -4.756 -4.440 -5.579 1.00 0.00 N ATOM 505 CA LYS A 32 -5.968 -5.250 -5.528 1.00 0.00 C ATOM 506 C LYS A 32 -5.628 -6.737 -5.513 1.00 0.00 C ATOM 507 O LYS A 32 -6.364 -7.546 -4.951 1.00 0.00 O ATOM 508 CB LYS A 32 -6.860 -4.938 -6.731 1.00 0.00 C ATOM 509 CG LYS A 32 -8.306 -5.374 -6.556 1.00 0.00 C ATOM 510 CD LYS A 32 -9.145 -5.005 -7.770 1.00 0.00 C ATOM 511 CE LYS A 32 -8.747 -5.803 -9.005 1.00 0.00 C ATOM 512 NZ LYS A 32 -9.149 -7.232 -8.900 1.00 0.00 N ATOM 0 H LYS A 32 -4.656 -3.884 -6.429 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.501 -5.006 -4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.835 -3.865 -6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.448 -5.427 -7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.347 -6.452 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.724 -4.905 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.198 -5.180 -7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.035 -3.940 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.210 -5.360 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.668 -5.739 -9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.967 -7.711 -9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.599 -7.693 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.162 -7.292 -8.674 1.00 0.00 H new ATOM 526 N THR A 33 -4.508 -7.091 -6.128 1.00 0.00 N ATOM 527 CA THR A 33 -4.106 -8.485 -6.223 1.00 0.00 C ATOM 528 C THR A 33 -3.420 -8.965 -4.945 1.00 0.00 C ATOM 529 O THR A 33 -3.793 -9.989 -4.370 1.00 0.00 O ATOM 530 CB THR A 33 -3.162 -8.701 -7.424 1.00 0.00 C ATOM 531 OG1 THR A 33 -3.828 -8.329 -8.639 1.00 0.00 O ATOM 532 CG2 THR A 33 -2.709 -10.150 -7.515 1.00 0.00 C ATOM 0 H THR A 33 -3.864 -6.433 -6.567 1.00 0.00 H new ATOM 0 HA THR A 33 -5.015 -9.070 -6.366 1.00 0.00 H new ATOM 0 HB THR A 33 -2.282 -8.075 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.743 -7.362 -8.776 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.045 -10.271 -8.371 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.178 -10.423 -6.603 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.578 -10.796 -7.636 1.00 0.00 H new ATOM 540 N TYR A 34 -2.415 -8.226 -4.503 1.00 0.00 N ATOM 541 CA TYR A 34 -1.625 -8.633 -3.351 1.00 0.00 C ATOM 542 C TYR A 34 -2.321 -8.314 -2.029 1.00 0.00 C ATOM 543 O TYR A 34 -2.439 -9.178 -1.162 1.00 0.00 O ATOM 544 CB TYR A 34 -0.239 -7.993 -3.408 1.00 0.00 C ATOM 545 CG TYR A 34 0.595 -8.499 -4.566 1.00 0.00 C ATOM 546 CD1 TYR A 34 1.226 -9.736 -4.503 1.00 0.00 C ATOM 547 CD2 TYR A 34 0.737 -7.749 -5.728 1.00 0.00 C ATOM 548 CE1 TYR A 34 1.976 -10.211 -5.563 1.00 0.00 C ATOM 549 CE2 TYR A 34 1.488 -8.217 -6.792 1.00 0.00 C ATOM 550 CZ TYR A 34 2.103 -9.448 -6.707 1.00 0.00 C ATOM 551 OH TYR A 34 2.846 -9.919 -7.765 1.00 0.00 O ATOM 0 H TYR A 34 -2.127 -7.342 -4.923 1.00 0.00 H new ATOM 0 HA TYR A 34 -1.516 -9.717 -3.394 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.347 -6.911 -3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.286 -8.192 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.129 -10.336 -3.611 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.254 -6.786 -5.801 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.460 -11.174 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.592 -7.620 -7.686 1.00 0.00 H new ATOM 0 HH TYR A 34 2.834 -9.262 -8.492 1.00 0.00 H new ATOM 561 N CYS A 35 -2.795 -7.085 -1.884 1.00 0.00 N ATOM 562 CA CYS A 35 -3.395 -6.645 -0.629 1.00 0.00 C ATOM 563 C CYS A 35 -4.887 -6.963 -0.592 1.00 0.00 C ATOM 564 O CYS A 35 -5.476 -7.071 0.485 1.00 0.00 O ATOM 565 CB CYS A 35 -3.183 -5.139 -0.452 1.00 0.00 C ATOM 566 SG CYS A 35 -1.465 -4.610 -0.646 1.00 0.00 S ATOM 0 H CYS A 35 -2.777 -6.375 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.910 -7.181 0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.800 -4.608 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.533 -4.847 0.538 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.386 -3.323 -0.481 1.00 0.00 H new ATOM 572 N GLY A 36 -5.478 -7.126 -1.774 1.00 0.00 N ATOM 573 CA GLY A 36 -6.916 -7.343 -1.896 1.00 0.00 C ATOM 574 C GLY A 36 -7.446 -8.470 -1.024 1.00 0.00 C ATOM 575 O GLY A 36 -8.182 -8.215 -0.076 1.00 0.00 O ATOM 0 H GLY A 36 -4.980 -7.112 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.436 -6.421 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.154 -7.560 -2.937 1.00 0.00 H new ATOM 579 N PRO A 37 -7.080 -9.731 -1.310 1.00 0.00 N ATOM 580 CA PRO A 37 -7.574 -10.899 -0.557 1.00 0.00 C ATOM 581 C PRO A 37 -7.207 -10.884 0.930 1.00 0.00 C ATOM 582 O PRO A 37 -7.640 -11.756 1.685 1.00 0.00 O ATOM 583 CB PRO A 37 -6.896 -12.089 -1.248 1.00 0.00 C ATOM 584 CG PRO A 37 -6.517 -11.585 -2.596 1.00 0.00 C ATOM 585 CD PRO A 37 -6.192 -10.133 -2.411 1.00 0.00 C ATOM 0 HA PRO A 37 -8.664 -10.927 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.021 -12.423 -0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.572 -12.941 -1.321 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.660 -12.131 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.333 -11.716 -3.306 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.142 -9.984 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.386 -9.558 -3.316 1.00 0.00 H new ATOM 593 N VAL A 38 -6.416 -9.905 1.355 1.00 0.00 N ATOM 594 CA VAL A 38 -5.996 -9.829 2.747 1.00 0.00 C ATOM 595 C VAL A 38 -6.705 -8.685 3.472 1.00 0.00 C ATOM 596 O VAL A 38 -7.524 -8.914 4.361 1.00 0.00 O ATOM 597 CB VAL A 38 -4.469 -9.643 2.877 1.00 0.00 C ATOM 598 CG1 VAL A 38 -4.042 -9.747 4.332 1.00 0.00 C ATOM 599 CG2 VAL A 38 -3.727 -10.659 2.022 1.00 0.00 C ATOM 0 H VAL A 38 -6.056 -9.159 0.760 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.271 -10.777 3.209 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.213 -8.647 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.963 -9.613 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.543 -8.974 4.914 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.313 -10.728 4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.653 -10.509 2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.987 -11.667 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.009 -10.530 0.977 1.00 0.00 H new ATOM 609 N ILE A 39 -6.404 -7.454 3.070 1.00 0.00 N ATOM 610 CA ILE A 39 -6.935 -6.278 3.758 1.00 0.00 C ATOM 611 C ILE A 39 -7.834 -5.452 2.846 1.00 0.00 C ATOM 612 O ILE A 39 -8.340 -4.408 3.249 1.00 0.00 O ATOM 613 CB ILE A 39 -5.807 -5.371 4.295 1.00 0.00 C ATOM 614 CG1 ILE A 39 -4.873 -4.946 3.157 1.00 0.00 C ATOM 615 CG2 ILE A 39 -5.030 -6.084 5.387 1.00 0.00 C ATOM 616 CD1 ILE A 39 -3.784 -3.980 3.584 1.00 0.00 C ATOM 0 H ILE A 39 -5.799 -7.243 2.276 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.521 -6.656 4.596 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.256 -4.474 4.722 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.409 -5.835 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.465 -4.484 2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.238 -5.432 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.703 -6.337 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.590 -6.996 4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.165 -3.727 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.238 -3.073 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.166 -4.445 4.352 1.00 0.00 H new ATOM 628 N GLY A 40 -8.032 -5.937 1.627 1.00 0.00 N ATOM 629 CA GLY A 40 -8.860 -5.239 0.651 1.00 0.00 C ATOM 630 C GLY A 40 -10.257 -4.922 1.163 1.00 0.00 C ATOM 631 O GLY A 40 -10.630 -3.751 1.266 1.00 0.00 O ATOM 0 H GLY A 40 -7.630 -6.812 1.290 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.366 -4.310 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.940 -5.849 -0.249 1.00 0.00 H new ATOM 635 N PRO A 41 -11.069 -5.954 1.466 1.00 0.00 N ATOM 636 CA PRO A 41 -12.430 -5.776 1.983 1.00 0.00 C ATOM 637 C PRO A 41 -12.461 -5.338 3.450 1.00 0.00 C ATOM 638 O PRO A 41 -13.530 -5.264 4.059 1.00 0.00 O ATOM 639 CB PRO A 41 -13.069 -7.170 1.832 1.00 0.00 C ATOM 640 CG PRO A 41 -12.088 -7.987 1.057 1.00 0.00 C ATOM 641 CD PRO A 41 -10.746 -7.375 1.313 1.00 0.00 C ATOM 0 HA PRO A 41 -12.955 -4.988 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.266 -7.617 2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.024 -7.108 1.310 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.109 -9.029 1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.325 -7.976 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -10.278 -7.783 2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.057 -7.548 0.486 1.00 0.00 H new ATOM 649 N LEU A 42 -11.296 -5.062 4.016 1.00 0.00 N ATOM 650 CA LEU A 42 -11.211 -4.588 5.388 1.00 0.00 C ATOM 651 C LEU A 42 -11.166 -3.068 5.415 1.00 0.00 C ATOM 652 O LEU A 42 -10.986 -2.427 4.377 1.00 0.00 O ATOM 653 CB LEU A 42 -9.976 -5.164 6.084 1.00 0.00 C ATOM 654 CG LEU A 42 -9.994 -6.677 6.295 1.00 0.00 C ATOM 655 CD1 LEU A 42 -8.719 -7.130 6.984 1.00 0.00 C ATOM 656 CD2 LEU A 42 -11.214 -7.085 7.108 1.00 0.00 C ATOM 0 H LEU A 42 -10.396 -5.158 3.546 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.097 -4.926 5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.095 -4.906 5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.866 -4.679 7.054 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.051 -7.163 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.747 -8.210 7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.859 -6.868 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.634 -6.638 7.953 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.212 -8.166 7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.185 -6.592 8.080 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.120 -6.790 6.578 1.00 0.00 H new ATOM 668 N SER A 43 -11.334 -2.495 6.597 1.00 0.00 N ATOM 669 CA SER A 43 -11.302 -1.052 6.757 1.00 0.00 C ATOM 670 C SER A 43 -9.898 -0.511 6.522 1.00 0.00 C ATOM 671 O SER A 43 -8.914 -1.102 6.968 1.00 0.00 O ATOM 672 CB SER A 43 -11.768 -0.665 8.161 1.00 0.00 C ATOM 673 OG SER A 43 -11.749 0.743 8.339 1.00 0.00 O ATOM 0 H SER A 43 -11.494 -3.011 7.462 1.00 0.00 H new ATOM 0 HA SER A 43 -11.975 -0.616 6.018 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.777 -1.042 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 43 -11.124 -1.137 8.903 1.00 0.00 H new ATOM 0 HG SER A 43 -12.053 0.962 9.244 1.00 0.00 H new ATOM 679 N VAL A 44 -9.818 0.624 5.839 1.00 0.00 N ATOM 680 CA VAL A 44 -8.546 1.297 5.614 1.00 0.00 C ATOM 681 C VAL A 44 -8.037 1.893 6.932 1.00 0.00 C ATOM 682 O VAL A 44 -6.849 2.162 7.099 1.00 0.00 O ATOM 683 CB VAL A 44 -8.677 2.401 4.535 1.00 0.00 C ATOM 684 CG1 VAL A 44 -9.639 3.496 4.984 1.00 0.00 C ATOM 685 CG2 VAL A 44 -7.315 2.980 4.179 1.00 0.00 C ATOM 0 H VAL A 44 -10.623 1.099 5.430 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.827 0.563 5.249 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.091 1.943 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.712 4.257 4.207 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.624 3.064 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.270 3.950 5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.435 3.753 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.860 3.414 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.673 2.188 3.793 1.00 0.00 H new ATOM 695 N GLN A 45 -8.955 2.070 7.876 1.00 0.00 N ATOM 696 CA GLN A 45 -8.613 2.575 9.196 1.00 0.00 C ATOM 697 C GLN A 45 -7.980 1.456 10.013 1.00 0.00 C ATOM 698 O GLN A 45 -7.029 1.673 10.762 1.00 0.00 O ATOM 699 CB GLN A 45 -9.881 3.103 9.884 1.00 0.00 C ATOM 700 CG GLN A 45 -9.637 3.891 11.167 1.00 0.00 C ATOM 701 CD GLN A 45 -9.329 3.022 12.371 1.00 0.00 C ATOM 702 OE1 GLN A 45 -9.797 1.884 12.474 1.00 0.00 O ATOM 703 NE2 GLN A 45 -8.546 3.552 13.293 1.00 0.00 N ATOM 0 H GLN A 45 -9.947 1.869 7.748 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.898 3.393 9.111 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.419 3.739 9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.531 2.258 10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.808 4.580 11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.517 4.496 11.383 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.180 4.496 13.170 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.307 3.017 14.128 1.00 0.00 H new ATOM 712 N ASP A 46 -8.503 0.251 9.830 1.00 0.00 N ATOM 713 CA ASP A 46 -8.077 -0.905 10.608 1.00 0.00 C ATOM 714 C ASP A 46 -6.709 -1.405 10.147 1.00 0.00 C ATOM 715 O ASP A 46 -6.022 -2.122 10.877 1.00 0.00 O ATOM 716 CB ASP A 46 -9.120 -2.018 10.489 1.00 0.00 C ATOM 717 CG ASP A 46 -8.932 -3.116 11.516 1.00 0.00 C ATOM 718 OD1 ASP A 46 -9.377 -2.936 12.672 1.00 0.00 O ATOM 719 OD2 ASP A 46 -8.361 -4.170 11.175 1.00 0.00 O ATOM 0 H ASP A 46 -9.229 0.048 9.143 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.987 -0.606 11.652 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.116 -1.589 10.602 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.070 -2.450 9.490 1.00 0.00 H new ATOM 724 N VAL A 47 -6.316 -1.014 8.936 1.00 0.00 N ATOM 725 CA VAL A 47 -5.017 -1.395 8.392 1.00 0.00 C ATOM 726 C VAL A 47 -3.893 -0.880 9.285 1.00 0.00 C ATOM 727 O VAL A 47 -3.703 0.327 9.434 1.00 0.00 O ATOM 728 CB VAL A 47 -4.814 -0.867 6.952 1.00 0.00 C ATOM 729 CG1 VAL A 47 -3.425 -1.220 6.433 1.00 0.00 C ATOM 730 CG2 VAL A 47 -5.891 -1.417 6.027 1.00 0.00 C ATOM 0 H VAL A 47 -6.879 -0.434 8.314 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.991 -2.484 8.360 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.899 0.220 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.307 -0.838 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.670 -0.772 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.303 -2.303 6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.733 -1.036 5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.840 -2.506 6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.872 -1.104 6.384 1.00 0.00 H new ATOM 740 N ASP A 48 -3.168 -1.808 9.895 1.00 0.00 N ATOM 741 CA ASP A 48 -2.083 -1.456 10.800 1.00 0.00 C ATOM 742 C ASP A 48 -0.848 -2.294 10.488 1.00 0.00 C ATOM 743 O ASP A 48 -0.835 -3.057 9.519 1.00 0.00 O ATOM 744 CB ASP A 48 -2.519 -1.675 12.256 1.00 0.00 C ATOM 745 CG ASP A 48 -1.745 -0.824 13.244 1.00 0.00 C ATOM 746 OD1 ASP A 48 -0.638 -1.230 13.652 1.00 0.00 O ATOM 747 OD2 ASP A 48 -2.248 0.251 13.628 1.00 0.00 O ATOM 0 H ASP A 48 -3.312 -2.811 9.779 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.836 -0.403 10.662 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.582 -1.452 12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.391 -2.726 12.513 1.00 0.00 H new ATOM 752 N THR A 49 0.165 -2.171 11.329 1.00 0.00 N ATOM 753 CA THR A 49 1.452 -2.817 11.113 1.00 0.00 C ATOM 754 C THR A 49 1.308 -4.337 11.006 1.00 0.00 C ATOM 755 O THR A 49 1.905 -4.969 10.130 1.00 0.00 O ATOM 756 CB THR A 49 2.418 -2.475 12.264 1.00 0.00 C ATOM 757 OG1 THR A 49 2.421 -1.058 12.489 1.00 0.00 O ATOM 758 CG2 THR A 49 3.831 -2.936 11.952 1.00 0.00 C ATOM 0 H THR A 49 0.119 -1.618 12.185 1.00 0.00 H new ATOM 0 HA THR A 49 1.853 -2.443 10.171 1.00 0.00 H new ATOM 0 HB THR A 49 2.074 -2.995 13.158 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.035 -0.845 13.222 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.489 -2.680 12.783 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.837 -4.016 11.803 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.183 -2.443 11.046 1.00 0.00 H new ATOM 766 N LYS A 50 0.494 -4.902 11.893 1.00 0.00 N ATOM 767 CA LYS A 50 0.264 -6.345 11.943 1.00 0.00 C ATOM 768 C LYS A 50 -0.269 -6.859 10.614 1.00 0.00 C ATOM 769 O LYS A 50 0.185 -7.877 10.093 1.00 0.00 O ATOM 770 CB LYS A 50 -0.739 -6.659 13.052 1.00 0.00 C ATOM 771 CG LYS A 50 -1.025 -8.140 13.240 1.00 0.00 C ATOM 772 CD LYS A 50 -1.999 -8.361 14.387 1.00 0.00 C ATOM 773 CE LYS A 50 -2.369 -9.825 14.547 1.00 0.00 C ATOM 774 NZ LYS A 50 -1.184 -10.687 14.795 1.00 0.00 N ATOM 0 H LYS A 50 -0.024 -4.375 12.596 1.00 0.00 H new ATOM 0 HA LYS A 50 1.213 -6.841 12.146 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.363 -6.252 13.991 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.675 -6.145 12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.439 -8.555 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.095 -8.672 13.439 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.556 -7.996 15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.902 -7.776 14.213 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.071 -9.931 15.374 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.882 -10.167 13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.499 -11.646 15.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.600 -10.730 13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.623 -10.290 15.576 1.00 0.00 H new ATOM 788 N LEU A 51 -1.230 -6.138 10.070 1.00 0.00 N ATOM 789 CA LEU A 51 -1.847 -6.515 8.815 1.00 0.00 C ATOM 790 C LEU A 51 -0.866 -6.383 7.652 1.00 0.00 C ATOM 791 O LEU A 51 -0.741 -7.296 6.837 1.00 0.00 O ATOM 792 CB LEU A 51 -3.091 -5.666 8.560 1.00 0.00 C ATOM 793 CG LEU A 51 -4.245 -5.895 9.537 1.00 0.00 C ATOM 794 CD1 LEU A 51 -5.428 -5.014 9.182 1.00 0.00 C ATOM 795 CD2 LEU A 51 -4.658 -7.360 9.548 1.00 0.00 C ATOM 0 H LEU A 51 -1.602 -5.282 10.482 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.142 -7.562 8.887 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.808 -4.614 8.597 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.447 -5.865 7.549 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.903 -5.627 10.537 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.239 -5.191 9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.129 -3.967 9.229 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.768 -5.250 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.480 -7.501 10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.979 -7.655 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.811 -7.974 9.853 1.00 0.00 H new ATOM 807 N ILE A 52 -0.151 -5.263 7.596 1.00 0.00 N ATOM 808 CA ILE A 52 0.767 -4.991 6.490 1.00 0.00 C ATOM 809 C ILE A 52 1.873 -6.046 6.405 1.00 0.00 C ATOM 810 O ILE A 52 2.184 -6.541 5.321 1.00 0.00 O ATOM 811 CB ILE A 52 1.402 -3.587 6.607 1.00 0.00 C ATOM 812 CG1 ILE A 52 0.310 -2.516 6.669 1.00 0.00 C ATOM 813 CG2 ILE A 52 2.334 -3.324 5.430 1.00 0.00 C ATOM 814 CD1 ILE A 52 0.843 -1.115 6.877 1.00 0.00 C ATOM 0 H ILE A 52 -0.188 -4.528 8.302 1.00 0.00 H new ATOM 0 HA ILE A 52 0.172 -5.030 5.577 1.00 0.00 H new ATOM 0 HB ILE A 52 1.986 -3.546 7.526 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.266 -2.543 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.378 -2.758 7.479 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.773 -2.331 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.127 -4.072 5.420 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.770 -3.381 4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.012 -0.411 6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.394 -1.071 7.817 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.508 -0.853 6.054 1.00 0.00 H new ATOM 826 N MET A 53 2.449 -6.406 7.550 1.00 0.00 N ATOM 827 CA MET A 53 3.511 -7.410 7.576 1.00 0.00 C ATOM 828 C MET A 53 2.978 -8.768 7.123 1.00 0.00 C ATOM 829 O MET A 53 3.686 -9.541 6.483 1.00 0.00 O ATOM 830 CB MET A 53 4.147 -7.524 8.972 1.00 0.00 C ATOM 831 CG MET A 53 3.203 -8.038 10.049 1.00 0.00 C ATOM 832 SD MET A 53 4.005 -8.255 11.650 1.00 0.00 S ATOM 833 CE MET A 53 4.522 -6.578 12.009 1.00 0.00 C ATOM 0 H MET A 53 2.202 -6.023 8.462 1.00 0.00 H new ATOM 0 HA MET A 53 4.286 -7.087 6.881 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.009 -8.189 8.913 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.520 -6.544 9.270 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.372 -7.341 10.157 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.781 -8.991 9.729 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.608 -6.510 11.942 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.070 -5.896 11.289 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.203 -6.306 13.015 1.00 0.00 H new ATOM 843 N LYS A 54 1.724 -9.050 7.457 1.00 0.00 N ATOM 844 CA LYS A 54 1.079 -10.285 7.030 1.00 0.00 C ATOM 845 C LYS A 54 0.817 -10.280 5.530 1.00 0.00 C ATOM 846 O LYS A 54 0.942 -11.310 4.877 1.00 0.00 O ATOM 847 CB LYS A 54 -0.220 -10.520 7.808 1.00 0.00 C ATOM 848 CG LYS A 54 -0.019 -11.233 9.140 1.00 0.00 C ATOM 849 CD LYS A 54 0.061 -12.753 8.978 1.00 0.00 C ATOM 850 CE LYS A 54 1.351 -13.212 8.304 1.00 0.00 C ATOM 851 NZ LYS A 54 2.550 -13.001 9.165 1.00 0.00 N ATOM 0 H LYS A 54 1.134 -8.440 8.022 1.00 0.00 H new ATOM 0 HA LYS A 54 1.760 -11.108 7.247 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.702 -9.560 7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.901 -11.107 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.896 -10.871 9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.841 -10.984 9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.017 -13.222 9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.791 -13.096 8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.270 -14.269 8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.480 -12.670 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.381 -13.435 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.715 -11.981 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.391 -13.440 10.094 1.00 0.00 H new ATOM 865 N VAL A 55 0.449 -9.123 4.990 1.00 0.00 N ATOM 866 CA VAL A 55 0.243 -8.986 3.550 1.00 0.00 C ATOM 867 C VAL A 55 1.535 -9.282 2.794 1.00 0.00 C ATOM 868 O VAL A 55 1.538 -10.026 1.816 1.00 0.00 O ATOM 869 CB VAL A 55 -0.245 -7.569 3.175 1.00 0.00 C ATOM 870 CG1 VAL A 55 -0.410 -7.433 1.669 1.00 0.00 C ATOM 871 CG2 VAL A 55 -1.551 -7.240 3.876 1.00 0.00 C ATOM 0 H VAL A 55 0.287 -8.269 5.524 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.525 -9.706 3.267 1.00 0.00 H new ATOM 0 HB VAL A 55 0.513 -6.859 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.754 -6.427 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.547 -7.615 1.180 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.141 -8.160 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.872 -6.237 3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.314 -7.961 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.406 -7.285 4.955 1.00 0.00 H new ATOM 881 N LEU A 56 2.632 -8.709 3.273 1.00 0.00 N ATOM 882 CA LEU A 56 3.929 -8.857 2.622 1.00 0.00 C ATOM 883 C LEU A 56 4.495 -10.263 2.812 1.00 0.00 C ATOM 884 O LEU A 56 5.302 -10.721 2.004 1.00 0.00 O ATOM 885 CB LEU A 56 4.916 -7.827 3.178 1.00 0.00 C ATOM 886 CG LEU A 56 4.538 -6.362 2.947 1.00 0.00 C ATOM 887 CD1 LEU A 56 5.553 -5.444 3.610 1.00 0.00 C ATOM 888 CD2 LEU A 56 4.439 -6.062 1.457 1.00 0.00 C ATOM 0 H LEU A 56 2.650 -8.134 4.115 1.00 0.00 H new ATOM 0 HA LEU A 56 3.785 -8.690 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.021 -7.992 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.893 -8.007 2.730 1.00 0.00 H new ATOM 0 HG LEU A 56 3.562 -6.182 3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.271 -4.405 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.576 -5.641 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.541 -5.627 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.169 -5.016 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.400 -6.257 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.676 -6.698 1.008 1.00 0.00 H new ATOM 900 N ASP A 57 4.055 -10.931 3.876 1.00 0.00 N ATOM 901 CA ASP A 57 4.590 -12.239 4.277 1.00 0.00 C ATOM 902 C ASP A 57 4.678 -13.227 3.098 1.00 0.00 C ATOM 903 O ASP A 57 5.765 -13.723 2.791 1.00 0.00 O ATOM 904 CB ASP A 57 3.739 -12.827 5.411 1.00 0.00 C ATOM 905 CG ASP A 57 4.501 -13.799 6.289 1.00 0.00 C ATOM 906 OD1 ASP A 57 4.973 -14.837 5.778 1.00 0.00 O ATOM 907 OD2 ASP A 57 4.606 -13.540 7.508 1.00 0.00 O ATOM 0 H ASP A 57 3.317 -10.584 4.488 1.00 0.00 H new ATOM 0 HA ASP A 57 5.609 -12.081 4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.356 -12.014 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.876 -13.335 4.982 1.00 0.00 H new ATOM 912 N PRO A 58 3.559 -13.521 2.395 1.00 0.00 N ATOM 913 CA PRO A 58 3.582 -14.451 1.262 1.00 0.00 C ATOM 914 C PRO A 58 4.179 -13.826 0.001 1.00 0.00 C ATOM 915 O PRO A 58 4.526 -14.531 -0.948 1.00 0.00 O ATOM 916 CB PRO A 58 2.105 -14.777 1.045 1.00 0.00 C ATOM 917 CG PRO A 58 1.382 -13.560 1.507 1.00 0.00 C ATOM 918 CD PRO A 58 2.197 -12.995 2.639 1.00 0.00 C ATOM 0 HA PRO A 58 4.204 -15.323 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.895 -14.989 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.805 -15.657 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.283 -12.835 0.699 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.374 -13.808 1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 58 2.183 -11.905 2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.812 -13.316 3.607 1.00 0.00 H new ATOM 926 N ILE A 59 4.306 -12.504 -0.002 1.00 0.00 N ATOM 927 CA ILE A 59 4.824 -11.792 -1.161 1.00 0.00 C ATOM 928 C ILE A 59 6.338 -11.947 -1.252 1.00 0.00 C ATOM 929 O ILE A 59 6.888 -12.032 -2.345 1.00 0.00 O ATOM 930 CB ILE A 59 4.448 -10.295 -1.132 1.00 0.00 C ATOM 931 CG1 ILE A 59 2.930 -10.139 -1.031 1.00 0.00 C ATOM 932 CG2 ILE A 59 4.971 -9.587 -2.375 1.00 0.00 C ATOM 933 CD1 ILE A 59 2.473 -8.698 -0.948 1.00 0.00 C ATOM 0 H ILE A 59 4.057 -11.905 0.785 1.00 0.00 H new ATOM 0 HA ILE A 59 4.364 -12.235 -2.044 1.00 0.00 H new ATOM 0 HB ILE A 59 4.909 -9.837 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.466 -10.609 -1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.576 -10.675 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.696 -8.533 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.056 -9.678 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.535 -10.043 -3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.386 -8.665 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.908 -8.229 -0.065 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.796 -8.162 -1.840 1.00 0.00 H new ATOM 945 N TRP A 60 7.003 -12.006 -0.100 1.00 0.00 N ATOM 946 CA TRP A 60 8.449 -12.228 -0.063 1.00 0.00 C ATOM 947 C TRP A 60 8.806 -13.571 -0.694 1.00 0.00 C ATOM 948 O TRP A 60 9.906 -13.756 -1.210 1.00 0.00 O ATOM 949 CB TRP A 60 8.980 -12.176 1.376 1.00 0.00 C ATOM 950 CG TRP A 60 9.025 -10.794 1.959 1.00 0.00 C ATOM 951 CD1 TRP A 60 8.180 -10.265 2.890 1.00 0.00 C ATOM 952 CD2 TRP A 60 9.977 -9.769 1.657 1.00 0.00 C ATOM 953 NE1 TRP A 60 8.546 -8.973 3.181 1.00 0.00 N ATOM 954 CE2 TRP A 60 9.646 -8.647 2.435 1.00 0.00 C ATOM 955 CE3 TRP A 60 11.080 -9.697 0.801 1.00 0.00 C ATOM 956 CZ2 TRP A 60 10.376 -7.463 2.384 1.00 0.00 C ATOM 957 CZ3 TRP A 60 11.804 -8.520 0.750 1.00 0.00 C ATOM 958 CH2 TRP A 60 11.451 -7.419 1.537 1.00 0.00 C ATOM 0 H TRP A 60 6.567 -11.904 0.817 1.00 0.00 H new ATOM 0 HA TRP A 60 8.919 -11.429 -0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 60 8.353 -12.805 2.007 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.983 -12.602 1.398 1.00 0.00 H new ATOM 0 HD1 TRP A 60 7.345 -10.786 3.334 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.075 -8.358 3.844 1.00 0.00 H new ATOM 0 HE3 TRP A 60 11.361 -10.543 0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.105 -6.611 2.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 12.657 -8.450 0.091 1.00 0.00 H new ATOM 0 HH2 TRP A 60 12.039 -6.515 1.475 1.00 0.00 H new ATOM 969 N GLU A 61 7.861 -14.500 -0.648 1.00 0.00 N ATOM 970 CA GLU A 61 8.036 -15.806 -1.234 1.00 0.00 C ATOM 971 C GLU A 61 7.903 -15.738 -2.749 1.00 0.00 C ATOM 972 O GLU A 61 8.731 -16.281 -3.484 1.00 0.00 O ATOM 973 CB GLU A 61 6.986 -16.743 -0.659 1.00 0.00 C ATOM 974 CG GLU A 61 7.162 -17.022 0.822 1.00 0.00 C ATOM 975 CD GLU A 61 8.457 -17.743 1.124 1.00 0.00 C ATOM 976 OE1 GLU A 61 8.581 -18.924 0.736 1.00 0.00 O ATOM 977 OE2 GLU A 61 9.359 -17.133 1.741 1.00 0.00 O ATOM 0 H GLU A 61 6.954 -14.362 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 61 9.034 -16.177 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.998 -16.312 -0.824 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.017 -17.687 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.137 -16.081 1.372 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.324 -17.622 1.178 1.00 0.00 H new ATOM 984 N GLN A 62 6.853 -15.073 -3.204 1.00 0.00 N ATOM 985 CA GLN A 62 6.577 -14.939 -4.625 1.00 0.00 C ATOM 986 C GLN A 62 7.538 -13.943 -5.277 1.00 0.00 C ATOM 987 O GLN A 62 8.361 -14.311 -6.114 1.00 0.00 O ATOM 988 CB GLN A 62 5.131 -14.471 -4.816 1.00 0.00 C ATOM 989 CG GLN A 62 4.334 -15.270 -5.840 1.00 0.00 C ATOM 990 CD GLN A 62 4.698 -14.949 -7.283 1.00 0.00 C ATOM 991 OE1 GLN A 62 5.834 -14.602 -7.596 1.00 0.00 O ATOM 992 NE2 GLN A 62 3.727 -15.060 -8.176 1.00 0.00 N ATOM 0 H GLN A 62 6.171 -14.613 -2.601 1.00 0.00 H new ATOM 0 HA GLN A 62 6.718 -15.908 -5.103 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.617 -14.521 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.139 -13.424 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.493 -16.334 -5.662 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.271 -15.078 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.795 -15.351 -7.882 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.911 -14.855 -9.158 1.00 0.00 H new ATOM 1001 N LYS A 63 7.434 -12.685 -4.875 1.00 0.00 N ATOM 1002 CA LYS A 63 8.195 -11.607 -5.492 1.00 0.00 C ATOM 1003 C LYS A 63 8.851 -10.735 -4.423 1.00 0.00 C ATOM 1004 O LYS A 63 8.288 -9.716 -4.017 1.00 0.00 O ATOM 1005 CB LYS A 63 7.279 -10.740 -6.364 1.00 0.00 C ATOM 1006 CG LYS A 63 6.695 -11.437 -7.590 1.00 0.00 C ATOM 1007 CD LYS A 63 7.650 -11.410 -8.776 1.00 0.00 C ATOM 1008 CE LYS A 63 8.739 -12.467 -8.671 1.00 0.00 C ATOM 1009 NZ LYS A 63 8.200 -13.840 -8.858 1.00 0.00 N ATOM 0 H LYS A 63 6.823 -12.383 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 63 8.971 -12.052 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.457 -10.375 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.841 -9.867 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.458 -12.471 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.758 -10.954 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.086 -11.564 -9.696 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.110 -10.424 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.506 -12.273 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.221 -12.396 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.974 -14.530 -8.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.486 -14.035 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.763 -13.916 -9.799 1.00 0.00 H new ATOM 1023 N PRO A 64 10.046 -11.123 -3.944 1.00 0.00 N ATOM 1024 CA PRO A 64 10.764 -10.372 -2.903 1.00 0.00 C ATOM 1025 C PRO A 64 11.123 -8.957 -3.348 1.00 0.00 C ATOM 1026 O PRO A 64 11.271 -8.049 -2.527 1.00 0.00 O ATOM 1027 CB PRO A 64 12.035 -11.198 -2.668 1.00 0.00 C ATOM 1028 CG PRO A 64 12.182 -12.045 -3.887 1.00 0.00 C ATOM 1029 CD PRO A 64 10.788 -12.324 -4.366 1.00 0.00 C ATOM 0 HA PRO A 64 10.155 -10.243 -2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.903 -10.554 -2.529 1.00 0.00 H new ATOM 0 HB3 PRO A 64 11.946 -11.811 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.762 -11.530 -4.653 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.709 -12.971 -3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.753 -12.461 -5.447 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.380 -13.229 -3.916 1.00 0.00 H new ATOM 1037 N GLU A 65 11.263 -8.781 -4.653 1.00 0.00 N ATOM 1038 CA GLU A 65 11.525 -7.476 -5.238 1.00 0.00 C ATOM 1039 C GLU A 65 10.279 -6.599 -5.140 1.00 0.00 C ATOM 1040 O GLU A 65 10.342 -5.434 -4.742 1.00 0.00 O ATOM 1041 CB GLU A 65 11.964 -7.661 -6.699 1.00 0.00 C ATOM 1042 CG GLU A 65 12.092 -6.374 -7.508 1.00 0.00 C ATOM 1043 CD GLU A 65 10.793 -5.963 -8.182 1.00 0.00 C ATOM 1044 OE1 GLU A 65 9.872 -6.805 -8.283 1.00 0.00 O ATOM 1045 OE2 GLU A 65 10.688 -4.799 -8.619 1.00 0.00 O ATOM 0 H GLU A 65 11.198 -9.537 -5.335 1.00 0.00 H new ATOM 0 HA GLU A 65 12.326 -6.976 -4.693 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.925 -8.175 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.247 -8.314 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.424 -5.570 -6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.863 -6.504 -8.267 1.00 0.00 H new ATOM 1052 N THR A 66 9.146 -7.190 -5.476 1.00 0.00 N ATOM 1053 CA THR A 66 7.884 -6.477 -5.523 1.00 0.00 C ATOM 1054 C THR A 66 7.388 -6.140 -4.118 1.00 0.00 C ATOM 1055 O THR A 66 6.726 -5.123 -3.915 1.00 0.00 O ATOM 1056 CB THR A 66 6.837 -7.305 -6.288 1.00 0.00 C ATOM 1057 OG1 THR A 66 7.382 -7.686 -7.562 1.00 0.00 O ATOM 1058 CG2 THR A 66 5.550 -6.520 -6.497 1.00 0.00 C ATOM 0 H THR A 66 9.076 -8.177 -5.724 1.00 0.00 H new ATOM 0 HA THR A 66 8.041 -5.537 -6.052 1.00 0.00 H new ATOM 0 HB THR A 66 6.597 -8.189 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.212 -7.191 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.833 -7.135 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.131 -6.244 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.763 -5.618 -7.071 1.00 0.00 H new ATOM 1066 N ALA A 67 7.717 -6.993 -3.154 1.00 0.00 N ATOM 1067 CA ALA A 67 7.326 -6.770 -1.764 1.00 0.00 C ATOM 1068 C ALA A 67 7.827 -5.416 -1.261 1.00 0.00 C ATOM 1069 O ALA A 67 7.110 -4.694 -0.566 1.00 0.00 O ATOM 1070 CB ALA A 67 7.856 -7.892 -0.884 1.00 0.00 C ATOM 0 H ALA A 67 8.254 -7.846 -3.308 1.00 0.00 H new ATOM 0 HA ALA A 67 6.237 -6.765 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.559 -7.715 0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.446 -8.844 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.944 -7.922 -0.948 1.00 0.00 H new ATOM 1076 N SER A 68 9.054 -5.073 -1.629 1.00 0.00 N ATOM 1077 CA SER A 68 9.638 -3.796 -1.249 1.00 0.00 C ATOM 1078 C SER A 68 8.956 -2.649 -1.993 1.00 0.00 C ATOM 1079 O SER A 68 8.688 -1.593 -1.419 1.00 0.00 O ATOM 1080 CB SER A 68 11.138 -3.801 -1.550 1.00 0.00 C ATOM 1081 OG SER A 68 11.776 -4.907 -0.938 1.00 0.00 O ATOM 0 H SER A 68 9.665 -5.664 -2.192 1.00 0.00 H new ATOM 0 HA SER A 68 9.488 -3.648 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.296 -3.837 -2.628 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.587 -2.874 -1.193 1.00 0.00 H new ATOM 0 HG SER A 68 12.733 -4.889 -1.146 1.00 0.00 H new ATOM 1087 N ARG A 69 8.660 -2.876 -3.268 1.00 0.00 N ATOM 1088 CA ARG A 69 8.049 -1.864 -4.111 1.00 0.00 C ATOM 1089 C ARG A 69 6.615 -1.569 -3.671 1.00 0.00 C ATOM 1090 O ARG A 69 6.164 -0.422 -3.706 1.00 0.00 O ATOM 1091 CB ARG A 69 8.063 -2.334 -5.560 1.00 0.00 C ATOM 1092 CG ARG A 69 9.452 -2.590 -6.099 1.00 0.00 C ATOM 1093 CD ARG A 69 9.737 -1.732 -7.312 1.00 0.00 C ATOM 1094 NE ARG A 69 9.849 -0.315 -6.961 1.00 0.00 N ATOM 1095 CZ ARG A 69 9.262 0.672 -7.637 1.00 0.00 C ATOM 1096 NH1 ARG A 69 8.524 0.404 -8.706 1.00 0.00 N ATOM 1097 NH2 ARG A 69 9.421 1.931 -7.249 1.00 0.00 N ATOM 0 H ARG A 69 8.837 -3.762 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 69 8.625 -0.943 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.476 -3.249 -5.642 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.574 -1.584 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 69 10.189 -2.383 -5.323 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.554 -3.643 -6.363 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.662 -2.064 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.941 -1.863 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 69 10.412 -0.068 -6.147 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.404 -0.561 -9.014 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.077 1.163 -9.220 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.993 2.145 -6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.971 2.685 -7.768 1.00 0.00 H new ATOM 1111 N LEU A 70 5.909 -2.615 -3.255 1.00 0.00 N ATOM 1112 CA LEU A 70 4.519 -2.499 -2.825 1.00 0.00 C ATOM 1113 C LEU A 70 4.396 -1.598 -1.602 1.00 0.00 C ATOM 1114 O LEU A 70 3.407 -0.875 -1.456 1.00 0.00 O ATOM 1115 CB LEU A 70 3.930 -3.878 -2.516 1.00 0.00 C ATOM 1116 CG LEU A 70 2.442 -3.885 -2.162 1.00 0.00 C ATOM 1117 CD1 LEU A 70 1.608 -3.405 -3.341 1.00 0.00 C ATOM 1118 CD2 LEU A 70 2.012 -5.276 -1.730 1.00 0.00 C ATOM 0 H LEU A 70 6.281 -3.563 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 70 3.957 -2.050 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.085 -4.524 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.487 -4.316 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 70 2.279 -3.199 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.553 -3.417 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.903 -2.390 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.771 -4.064 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.951 -5.268 -1.481 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.188 -5.980 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.588 -5.580 -0.856 1.00 0.00 H new ATOM 1130 N ARG A 71 5.410 -1.637 -0.736 1.00 0.00 N ATOM 1131 CA ARG A 71 5.422 -0.828 0.482 1.00 0.00 C ATOM 1132 C ARG A 71 5.217 0.649 0.143 1.00 0.00 C ATOM 1133 O ARG A 71 4.523 1.369 0.858 1.00 0.00 O ATOM 1134 CB ARG A 71 6.748 -1.008 1.238 1.00 0.00 C ATOM 1135 CG ARG A 71 6.729 -0.421 2.643 1.00 0.00 C ATOM 1136 CD ARG A 71 8.129 -0.290 3.233 1.00 0.00 C ATOM 1137 NE ARG A 71 8.841 -1.568 3.311 1.00 0.00 N ATOM 1138 CZ ARG A 71 9.849 -1.806 4.162 1.00 0.00 C ATOM 1139 NH1 ARG A 71 10.196 -0.888 5.061 1.00 0.00 N ATOM 1140 NH2 ARG A 71 10.498 -2.968 4.126 1.00 0.00 N ATOM 0 H ARG A 71 6.236 -2.223 -0.857 1.00 0.00 H new ATOM 0 HA ARG A 71 4.605 -1.163 1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.981 -2.071 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.549 -0.539 0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.254 0.560 2.618 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.122 -1.053 3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.709 0.406 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.057 0.141 4.232 1.00 0.00 H new ATOM 0 HE ARG A 71 8.554 -2.318 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.695 -0.001 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.963 -1.072 5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.229 -3.682 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.264 -3.144 4.776 1.00 0.00 H new ATOM 1154 N GLY A 72 5.801 1.078 -0.974 1.00 0.00 N ATOM 1155 CA GLY A 72 5.681 2.460 -1.404 1.00 0.00 C ATOM 1156 C GLY A 72 4.263 2.827 -1.798 1.00 0.00 C ATOM 1157 O GLY A 72 3.808 3.946 -1.548 1.00 0.00 O ATOM 0 H GLY A 72 6.358 0.488 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.012 3.117 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.346 2.632 -2.251 1.00 0.00 H new ATOM 1161 N ARG A 73 3.556 1.884 -2.410 1.00 0.00 N ATOM 1162 CA ARG A 73 2.173 2.114 -2.804 1.00 0.00 C ATOM 1163 C ARG A 73 1.278 2.157 -1.577 1.00 0.00 C ATOM 1164 O ARG A 73 0.437 3.046 -1.444 1.00 0.00 O ATOM 1165 CB ARG A 73 1.687 1.039 -3.776 1.00 0.00 C ATOM 1166 CG ARG A 73 2.324 1.136 -5.151 1.00 0.00 C ATOM 1167 CD ARG A 73 1.707 0.145 -6.125 1.00 0.00 C ATOM 1168 NE ARG A 73 2.282 0.265 -7.464 1.00 0.00 N ATOM 1169 CZ ARG A 73 3.111 -0.632 -8.001 1.00 0.00 C ATOM 1170 NH1 ARG A 73 3.463 -1.710 -7.309 1.00 0.00 N ATOM 1171 NH2 ARG A 73 3.579 -0.451 -9.231 1.00 0.00 N ATOM 0 H ARG A 73 3.916 0.958 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 73 2.124 3.076 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.898 0.056 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.605 1.116 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.205 2.148 -5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.395 0.949 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.858 -0.869 -5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.631 0.309 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 73 2.035 1.083 -8.021 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.099 -1.852 -6.367 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.097 -2.395 -7.720 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.305 0.374 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.213 -1.137 -9.642 1.00 0.00 H new ATOM 1185 N ILE A 74 1.480 1.203 -0.675 1.00 0.00 N ATOM 1186 CA ILE A 74 0.725 1.155 0.567 1.00 0.00 C ATOM 1187 C ILE A 74 0.960 2.431 1.375 1.00 0.00 C ATOM 1188 O ILE A 74 0.025 3.009 1.933 1.00 0.00 O ATOM 1189 CB ILE A 74 1.108 -0.080 1.415 1.00 0.00 C ATOM 1190 CG1 ILE A 74 0.913 -1.364 0.601 1.00 0.00 C ATOM 1191 CG2 ILE A 74 0.283 -0.131 2.697 1.00 0.00 C ATOM 1192 CD1 ILE A 74 1.355 -2.615 1.327 1.00 0.00 C ATOM 0 H ILE A 74 2.162 0.452 -0.783 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.332 1.076 0.311 1.00 0.00 H new ATOM 0 HB ILE A 74 2.160 0.003 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.140 -1.460 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.469 -1.280 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.568 -1.008 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.466 0.769 3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.776 -0.191 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.187 -3.484 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.416 -2.541 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.781 -2.724 2.247 1.00 0.00 H new ATOM 1204 N GLU A 75 2.212 2.878 1.403 1.00 0.00 N ATOM 1205 CA GLU A 75 2.579 4.090 2.116 1.00 0.00 C ATOM 1206 C GLU A 75 1.826 5.294 1.578 1.00 0.00 C ATOM 1207 O GLU A 75 1.231 6.057 2.336 1.00 0.00 O ATOM 1208 CB GLU A 75 4.080 4.344 1.982 1.00 0.00 C ATOM 1209 CG GLU A 75 4.533 5.649 2.616 1.00 0.00 C ATOM 1210 CD GLU A 75 5.988 5.959 2.351 1.00 0.00 C ATOM 1211 OE1 GLU A 75 6.316 6.366 1.216 1.00 0.00 O ATOM 1212 OE2 GLU A 75 6.807 5.812 3.279 1.00 0.00 O ATOM 0 H GLU A 75 2.991 2.414 0.936 1.00 0.00 H new ATOM 0 HA GLU A 75 2.316 3.949 3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.623 3.518 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.346 4.351 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.918 6.464 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.367 5.601 3.692 1.00 0.00 H new ATOM 1219 N SER A 76 1.840 5.439 0.264 1.00 0.00 N ATOM 1220 CA SER A 76 1.216 6.577 -0.389 1.00 0.00 C ATOM 1221 C SER A 76 -0.283 6.627 -0.104 1.00 0.00 C ATOM 1222 O SER A 76 -0.846 7.700 0.117 1.00 0.00 O ATOM 1223 CB SER A 76 1.483 6.519 -1.890 1.00 0.00 C ATOM 1224 OG SER A 76 2.878 6.428 -2.153 1.00 0.00 O ATOM 0 H SER A 76 2.280 4.778 -0.376 1.00 0.00 H new ATOM 0 HA SER A 76 1.653 7.491 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.970 5.659 -2.322 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.075 7.408 -2.371 1.00 0.00 H new ATOM 0 HG SER A 76 3.189 5.519 -1.958 1.00 0.00 H new ATOM 1230 N VAL A 77 -0.920 5.461 -0.091 1.00 0.00 N ATOM 1231 CA VAL A 77 -2.347 5.376 0.181 1.00 0.00 C ATOM 1232 C VAL A 77 -2.644 5.680 1.649 1.00 0.00 C ATOM 1233 O VAL A 77 -3.534 6.473 1.959 1.00 0.00 O ATOM 1234 CB VAL A 77 -2.912 3.985 -0.185 1.00 0.00 C ATOM 1235 CG1 VAL A 77 -4.395 3.891 0.157 1.00 0.00 C ATOM 1236 CG2 VAL A 77 -2.688 3.688 -1.662 1.00 0.00 C ATOM 0 H VAL A 77 -0.469 4.563 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.836 6.124 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.379 3.239 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.768 2.902 -0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.533 4.054 1.226 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.946 4.649 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.092 2.704 -1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.191 4.443 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.620 3.703 -1.878 1.00 0.00 H new ATOM 1246 N LEU A 78 -1.886 5.062 2.550 1.00 0.00 N ATOM 1247 CA LEU A 78 -2.115 5.238 3.978 1.00 0.00 C ATOM 1248 C LEU A 78 -1.786 6.660 4.421 1.00 0.00 C ATOM 1249 O LEU A 78 -2.478 7.224 5.266 1.00 0.00 O ATOM 1250 CB LEU A 78 -1.308 4.220 4.789 1.00 0.00 C ATOM 1251 CG LEU A 78 -1.777 2.769 4.650 1.00 0.00 C ATOM 1252 CD1 LEU A 78 -0.935 1.850 5.517 1.00 0.00 C ATOM 1253 CD2 LEU A 78 -3.249 2.651 5.021 1.00 0.00 C ATOM 0 H LEU A 78 -1.113 4.439 2.317 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.175 5.065 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.263 4.280 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.349 4.501 5.841 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.655 2.465 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.284 0.823 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.109 1.915 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.025 2.151 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.568 1.614 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.391 2.973 6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.843 3.281 4.359 1.00 0.00 H new ATOM 1265 N ASP A 79 -0.740 7.239 3.842 1.00 0.00 N ATOM 1266 CA ASP A 79 -0.380 8.629 4.115 1.00 0.00 C ATOM 1267 C ASP A 79 -1.537 9.549 3.738 1.00 0.00 C ATOM 1268 O ASP A 79 -1.948 10.405 4.522 1.00 0.00 O ATOM 1269 CB ASP A 79 0.878 9.007 3.322 1.00 0.00 C ATOM 1270 CG ASP A 79 1.304 10.448 3.529 1.00 0.00 C ATOM 1271 OD1 ASP A 79 2.094 10.713 4.458 1.00 0.00 O ATOM 1272 OD2 ASP A 79 0.868 11.319 2.746 1.00 0.00 O ATOM 0 H ASP A 79 -0.124 6.768 3.179 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.173 8.743 5.179 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.695 8.348 3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.695 8.838 2.261 1.00 0.00 H new ATOM 1277 N TRP A 80 -2.083 9.324 2.551 1.00 0.00 N ATOM 1278 CA TRP A 80 -3.211 10.096 2.049 1.00 0.00 C ATOM 1279 C TRP A 80 -4.432 9.914 2.949 1.00 0.00 C ATOM 1280 O TRP A 80 -5.054 10.888 3.377 1.00 0.00 O ATOM 1281 CB TRP A 80 -3.530 9.651 0.618 1.00 0.00 C ATOM 1282 CG TRP A 80 -4.587 10.459 -0.072 1.00 0.00 C ATOM 1283 CD1 TRP A 80 -4.432 11.678 -0.666 1.00 0.00 C ATOM 1284 CD2 TRP A 80 -5.958 10.091 -0.265 1.00 0.00 C ATOM 1285 NE1 TRP A 80 -5.620 12.091 -1.217 1.00 0.00 N ATOM 1286 CE2 TRP A 80 -6.574 11.135 -0.982 1.00 0.00 C ATOM 1287 CE3 TRP A 80 -6.725 8.981 0.102 1.00 0.00 C ATOM 1288 CZ2 TRP A 80 -7.920 11.098 -1.342 1.00 0.00 C ATOM 1289 CZ3 TRP A 80 -8.060 8.948 -0.255 1.00 0.00 C ATOM 1290 CH2 TRP A 80 -8.644 10.001 -0.968 1.00 0.00 C ATOM 0 H TRP A 80 -1.757 8.602 1.909 1.00 0.00 H new ATOM 0 HA TRP A 80 -2.949 11.154 2.049 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.615 9.695 0.027 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.846 8.608 0.639 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -3.508 12.237 -0.698 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.768 12.966 -1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.283 8.165 0.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.374 11.906 -1.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.662 8.095 0.021 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.691 9.945 -1.229 1.00 0.00 H new ATOM 1301 N ALA A 81 -4.754 8.659 3.250 1.00 0.00 N ATOM 1302 CA ALA A 81 -5.921 8.330 4.062 1.00 0.00 C ATOM 1303 C ALA A 81 -5.821 8.927 5.464 1.00 0.00 C ATOM 1304 O ALA A 81 -6.820 9.380 6.024 1.00 0.00 O ATOM 1305 CB ALA A 81 -6.096 6.823 4.139 1.00 0.00 C ATOM 0 H ALA A 81 -4.218 7.848 2.941 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.796 8.768 3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.970 6.589 4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.234 6.421 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.210 6.376 4.590 1.00 0.00 H new ATOM 1311 N THR A 82 -4.615 8.933 6.022 1.00 0.00 N ATOM 1312 CA THR A 82 -4.397 9.472 7.359 1.00 0.00 C ATOM 1313 C THR A 82 -4.666 10.975 7.390 1.00 0.00 C ATOM 1314 O THR A 82 -5.343 11.475 8.292 1.00 0.00 O ATOM 1315 CB THR A 82 -2.965 9.175 7.853 1.00 0.00 C ATOM 1316 OG1 THR A 82 -2.720 7.761 7.800 1.00 0.00 O ATOM 1317 CG2 THR A 82 -2.757 9.670 9.278 1.00 0.00 C ATOM 0 H THR A 82 -3.775 8.571 5.570 1.00 0.00 H new ATOM 0 HA THR A 82 -5.099 8.980 8.032 1.00 0.00 H new ATOM 0 HB THR A 82 -2.267 9.701 7.202 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.761 7.456 6.869 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.739 9.446 9.596 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.920 10.747 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.463 9.172 9.943 1.00 0.00 H new ATOM 1325 N VAL A 83 -4.172 11.685 6.383 1.00 0.00 N ATOM 1326 CA VAL A 83 -4.387 13.124 6.284 1.00 0.00 C ATOM 1327 C VAL A 83 -5.865 13.434 6.024 1.00 0.00 C ATOM 1328 O VAL A 83 -6.396 14.441 6.495 1.00 0.00 O ATOM 1329 CB VAL A 83 -3.519 13.743 5.163 1.00 0.00 C ATOM 1330 CG1 VAL A 83 -3.776 15.241 5.038 1.00 0.00 C ATOM 1331 CG2 VAL A 83 -2.042 13.472 5.424 1.00 0.00 C ATOM 0 H VAL A 83 -3.620 11.288 5.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.092 13.566 7.236 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.797 13.274 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.154 15.652 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.826 15.411 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.532 15.732 5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.445 13.914 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.755 13.912 6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.869 12.396 5.453 1.00 0.00 H new ATOM 1341 N ARG A 84 -6.531 12.547 5.290 1.00 0.00 N ATOM 1342 CA ARG A 84 -7.935 12.740 4.936 1.00 0.00 C ATOM 1343 C ARG A 84 -8.866 12.415 6.104 1.00 0.00 C ATOM 1344 O ARG A 84 -10.080 12.584 6.002 1.00 0.00 O ATOM 1345 CB ARG A 84 -8.300 11.893 3.715 1.00 0.00 C ATOM 1346 CG ARG A 84 -7.640 12.365 2.431 1.00 0.00 C ATOM 1347 CD ARG A 84 -8.079 13.775 2.067 1.00 0.00 C ATOM 1348 NE ARG A 84 -9.514 13.845 1.782 1.00 0.00 N ATOM 1349 CZ ARG A 84 -10.275 14.915 2.011 1.00 0.00 C ATOM 1350 NH1 ARG A 84 -9.757 15.997 2.581 1.00 0.00 N ATOM 1351 NH2 ARG A 84 -11.565 14.887 1.684 1.00 0.00 N ATOM 0 H ARG A 84 -6.121 11.686 4.928 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.068 13.794 4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.014 10.858 3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.382 11.906 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.556 12.338 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.892 11.683 1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -7.838 14.453 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.519 14.116 1.196 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.961 13.020 1.382 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.772 16.012 2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.344 16.813 2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.966 14.050 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.153 15.703 1.857 1.00 0.00 H new ATOM 1365 N GLY A 85 -8.296 11.938 7.204 1.00 0.00 N ATOM 1366 CA GLY A 85 -9.080 11.707 8.405 1.00 0.00 C ATOM 1367 C GLY A 85 -9.747 10.346 8.435 1.00 0.00 C ATOM 1368 O GLY A 85 -10.627 10.098 9.262 1.00 0.00 O ATOM 0 H GLY A 85 -7.306 11.707 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.433 11.806 9.277 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.844 12.480 8.486 1.00 0.00 H new ATOM 1372 N TYR A 86 -9.333 9.456 7.542 1.00 0.00 N ATOM 1373 CA TYR A 86 -9.880 8.104 7.519 1.00 0.00 C ATOM 1374 C TYR A 86 -9.234 7.261 8.609 1.00 0.00 C ATOM 1375 O TYR A 86 -9.772 6.236 9.021 1.00 0.00 O ATOM 1376 CB TYR A 86 -9.688 7.455 6.144 1.00 0.00 C ATOM 1377 CG TYR A 86 -10.488 8.129 5.055 1.00 0.00 C ATOM 1378 CD1 TYR A 86 -11.874 8.156 5.108 1.00 0.00 C ATOM 1379 CD2 TYR A 86 -9.859 8.747 3.983 1.00 0.00 C ATOM 1380 CE1 TYR A 86 -12.614 8.778 4.122 1.00 0.00 C ATOM 1381 CE2 TYR A 86 -10.591 9.371 2.990 1.00 0.00 C ATOM 1382 CZ TYR A 86 -11.969 9.388 3.067 1.00 0.00 C ATOM 1383 OH TYR A 86 -12.704 10.018 2.086 1.00 0.00 O ATOM 0 H TYR A 86 -8.627 9.642 6.830 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.951 8.163 7.710 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.631 7.482 5.880 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.975 6.405 6.201 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.383 7.682 5.935 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.781 8.740 3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.693 8.787 4.177 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -10.088 9.842 2.159 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.098 10.398 1.416 1.00 0.00 H new ATOM 1393 N ARG A 87 -8.080 7.716 9.074 1.00 0.00 N ATOM 1394 CA ARG A 87 -7.391 7.105 10.196 1.00 0.00 C ATOM 1395 C ARG A 87 -6.430 8.124 10.784 1.00 0.00 C ATOM 1396 O ARG A 87 -5.949 9.002 10.067 1.00 0.00 O ATOM 1397 CB ARG A 87 -6.642 5.837 9.769 1.00 0.00 C ATOM 1398 CG ARG A 87 -5.544 6.082 8.748 1.00 0.00 C ATOM 1399 CD ARG A 87 -4.818 4.795 8.384 1.00 0.00 C ATOM 1400 NE ARG A 87 -4.313 4.094 9.565 1.00 0.00 N ATOM 1401 CZ ARG A 87 -3.148 4.367 10.159 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -2.395 5.377 9.731 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -2.753 3.644 11.199 1.00 0.00 N ATOM 0 H ARG A 87 -7.595 8.523 8.681 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.122 6.806 10.947 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.205 5.371 10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.358 5.127 9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.974 6.524 7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.830 6.803 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.495 4.140 7.836 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.987 5.024 7.717 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.887 3.349 9.960 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.706 5.948 8.945 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.506 5.580 10.189 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.338 2.883 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.864 3.850 11.655 1.00 0.00 H new ATOM 1417 N GLU A 88 -6.168 8.032 12.077 1.00 0.00 N ATOM 1418 CA GLU A 88 -5.314 9.005 12.737 1.00 0.00 C ATOM 1419 C GLU A 88 -3.985 8.385 13.134 1.00 0.00 C ATOM 1420 O GLU A 88 -3.830 7.161 13.135 1.00 0.00 O ATOM 1421 CB GLU A 88 -5.993 9.596 13.975 1.00 0.00 C ATOM 1422 CG GLU A 88 -7.300 10.316 13.682 1.00 0.00 C ATOM 1423 CD GLU A 88 -8.508 9.410 13.805 1.00 0.00 C ATOM 1424 OE1 GLU A 88 -8.873 8.747 12.815 1.00 0.00 O ATOM 1425 OE2 GLU A 88 -9.104 9.363 14.900 1.00 0.00 O ATOM 0 H GLU A 88 -6.531 7.299 12.687 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.132 9.808 12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.184 8.795 14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.306 10.293 14.455 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.409 11.155 14.369 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.263 10.731 12.675 1.00 0.00 H new ATOM 1432 N GLY A 89 -3.038 9.239 13.481 1.00 0.00 N ATOM 1433 CA GLY A 89 -1.721 8.784 13.854 1.00 0.00 C ATOM 1434 C GLY A 89 -0.731 8.986 12.737 1.00 0.00 C ATOM 1435 O GLY A 89 -0.790 9.985 12.016 1.00 0.00 O ATOM 0 H GLY A 89 -3.162 10.251 13.511 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.386 9.323 14.740 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.761 7.728 14.119 1.00 0.00 H new ATOM 1439 N ASP A 90 0.180 8.049 12.595 1.00 0.00 N ATOM 1440 CA ASP A 90 1.133 8.071 11.511 1.00 0.00 C ATOM 1441 C ASP A 90 0.916 6.843 10.641 1.00 0.00 C ATOM 1442 O ASP A 90 -0.024 6.080 10.871 1.00 0.00 O ATOM 1443 CB ASP A 90 2.556 8.102 12.067 1.00 0.00 C ATOM 1444 CG ASP A 90 2.912 9.441 12.690 1.00 0.00 C ATOM 1445 OD1 ASP A 90 2.618 9.648 13.890 1.00 0.00 O ATOM 1446 OD2 ASP A 90 3.493 10.296 11.986 1.00 0.00 O ATOM 0 H ASP A 90 0.280 7.254 13.226 1.00 0.00 H new ATOM 0 HA ASP A 90 0.990 8.966 10.906 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.667 7.317 12.815 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.260 7.880 11.265 1.00 0.00 H new ATOM 1451 N ASN A 91 1.763 6.638 9.651 1.00 0.00 N ATOM 1452 CA ASN A 91 1.599 5.493 8.765 1.00 0.00 C ATOM 1453 C ASN A 91 2.461 4.326 9.260 1.00 0.00 C ATOM 1454 O ASN A 91 3.626 4.517 9.613 1.00 0.00 O ATOM 1455 CB ASN A 91 1.988 5.929 7.340 1.00 0.00 C ATOM 1456 CG ASN A 91 2.127 4.791 6.339 1.00 0.00 C ATOM 1457 OD1 ASN A 91 1.516 3.740 6.466 1.00 0.00 O ATOM 1458 ND2 ASN A 91 2.912 5.017 5.308 1.00 0.00 N ATOM 0 H ASN A 91 2.561 7.237 9.438 1.00 0.00 H new ATOM 0 HA ASN A 91 0.564 5.150 8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.237 6.628 6.972 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.933 6.471 7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.024 4.305 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.409 5.904 5.230 1.00 0.00 H new ATOM 1465 N PRO A 92 1.910 3.096 9.270 1.00 0.00 N ATOM 1466 CA PRO A 92 2.637 1.901 9.706 1.00 0.00 C ATOM 1467 C PRO A 92 3.587 1.346 8.647 1.00 0.00 C ATOM 1468 O PRO A 92 4.522 0.617 8.972 1.00 0.00 O ATOM 1469 CB PRO A 92 1.528 0.877 9.998 1.00 0.00 C ATOM 1470 CG PRO A 92 0.234 1.605 9.834 1.00 0.00 C ATOM 1471 CD PRO A 92 0.513 2.778 8.948 1.00 0.00 C ATOM 0 HA PRO A 92 3.273 2.129 10.561 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.589 0.032 9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.624 0.476 11.007 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.522 0.956 9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.152 1.932 10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.386 2.530 7.894 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.153 3.614 9.161 1.00 0.00 H new ATOM 1479 N ALA A 93 3.353 1.699 7.386 1.00 0.00 N ATOM 1480 CA ALA A 93 4.139 1.158 6.276 1.00 0.00 C ATOM 1481 C ALA A 93 5.489 1.861 6.140 1.00 0.00 C ATOM 1482 O ALA A 93 6.267 1.557 5.238 1.00 0.00 O ATOM 1483 CB ALA A 93 3.353 1.266 4.977 1.00 0.00 C ATOM 0 H ALA A 93 2.626 2.357 7.105 1.00 0.00 H new ATOM 0 HA ALA A 93 4.337 0.108 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.947 0.861 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.424 0.702 5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.124 2.313 4.776 1.00 0.00 H new ATOM 1489 N ARG A 94 5.758 2.794 7.042 1.00 0.00 N ATOM 1490 CA ARG A 94 7.010 3.540 7.024 1.00 0.00 C ATOM 1491 C ARG A 94 8.151 2.659 7.540 1.00 0.00 C ATOM 1492 O ARG A 94 9.073 2.324 6.793 1.00 0.00 O ATOM 1493 CB ARG A 94 6.869 4.789 7.897 1.00 0.00 C ATOM 1494 CG ARG A 94 7.923 5.855 7.643 1.00 0.00 C ATOM 1495 CD ARG A 94 7.802 6.440 6.245 1.00 0.00 C ATOM 1496 NE ARG A 94 8.432 7.754 6.155 1.00 0.00 N ATOM 1497 CZ ARG A 94 8.285 8.584 5.125 1.00 0.00 C ATOM 1498 NH1 ARG A 94 7.637 8.201 4.032 1.00 0.00 N ATOM 1499 NH2 ARG A 94 8.823 9.795 5.173 1.00 0.00 N ATOM 0 H ARG A 94 5.124 3.054 7.798 1.00 0.00 H new ATOM 0 HA ARG A 94 7.239 3.841 6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 94 5.883 5.224 7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.915 4.492 8.945 1.00 0.00 H new ATOM 0 HG2 ARG A 94 7.822 6.651 8.381 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.916 5.424 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.265 5.764 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.749 6.521 5.974 1.00 0.00 H new ATOM 0 HE ARG A 94 9.022 8.055 6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.245 7.261 3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.531 8.847 3.249 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.347 10.088 5.997 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.712 10.434 4.386 1.00 0.00 H new ATOM 1513 N TRP A 95 8.053 2.284 8.820 1.00 0.00 N ATOM 1514 CA TRP A 95 9.014 1.394 9.483 1.00 0.00 C ATOM 1515 C TRP A 95 10.380 2.034 9.711 1.00 0.00 C ATOM 1516 O TRP A 95 11.032 2.517 8.784 1.00 0.00 O ATOM 1517 CB TRP A 95 9.179 0.080 8.719 1.00 0.00 C ATOM 1518 CG TRP A 95 8.241 -0.985 9.182 1.00 0.00 C ATOM 1519 CD1 TRP A 95 8.169 -1.509 10.440 1.00 0.00 C ATOM 1520 CD2 TRP A 95 7.248 -1.665 8.404 1.00 0.00 C ATOM 1521 NE1 TRP A 95 7.198 -2.475 10.494 1.00 0.00 N ATOM 1522 CE2 TRP A 95 6.614 -2.589 9.257 1.00 0.00 C ATOM 1523 CE3 TRP A 95 6.832 -1.584 7.075 1.00 0.00 C ATOM 1524 CZ2 TRP A 95 5.589 -3.425 8.820 1.00 0.00 C ATOM 1525 CZ3 TRP A 95 5.814 -2.413 6.644 1.00 0.00 C ATOM 1526 CH2 TRP A 95 5.204 -3.324 7.514 1.00 0.00 C ATOM 0 H TRP A 95 7.297 2.593 9.431 1.00 0.00 H new ATOM 0 HA TRP A 95 8.587 1.190 10.465 1.00 0.00 H new ATOM 0 HB2 TRP A 95 9.018 0.261 7.656 1.00 0.00 H new ATOM 0 HB3 TRP A 95 10.204 -0.273 8.831 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.787 -1.206 11.272 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.950 -3.021 11.319 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.297 -0.886 6.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.116 -4.128 9.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.483 -2.357 5.617 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.413 -3.960 7.145 1.00 0.00 H new ATOM 1537 N ARG A 96 10.809 2.016 10.966 1.00 0.00 N ATOM 1538 CA ARG A 96 12.146 2.453 11.333 1.00 0.00 C ATOM 1539 C ARG A 96 13.166 1.403 10.907 1.00 0.00 C ATOM 1540 O ARG A 96 14.316 1.715 10.595 1.00 0.00 O ATOM 1541 CB ARG A 96 12.232 2.681 12.844 1.00 0.00 C ATOM 1542 CG ARG A 96 11.414 3.864 13.342 1.00 0.00 C ATOM 1543 CD ARG A 96 11.986 5.185 12.854 1.00 0.00 C ATOM 1544 NE ARG A 96 11.189 6.321 13.307 1.00 0.00 N ATOM 1545 CZ ARG A 96 11.701 7.436 13.826 1.00 0.00 C ATOM 1546 NH1 ARG A 96 13.015 7.576 13.968 1.00 0.00 N ATOM 1547 NH2 ARG A 96 10.891 8.414 14.209 1.00 0.00 N ATOM 0 H ARG A 96 10.242 1.700 11.753 1.00 0.00 H new ATOM 0 HA ARG A 96 12.363 3.392 10.824 1.00 0.00 H new ATOM 0 HB2 ARG A 96 11.896 1.779 13.356 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.276 2.833 13.119 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.384 3.764 13.000 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.390 3.858 14.432 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.009 5.293 13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.029 5.182 11.765 1.00 0.00 H new ATOM 0 HE ARG A 96 10.175 6.257 13.221 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.642 6.825 13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.396 8.434 14.367 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.882 8.310 14.106 1.00 0.00 H new ATOM 0 HH22 ARG A 96 11.278 9.270 14.607 1.00 0.00 H new ATOM 1561 N GLY A 97 12.730 0.155 10.907 1.00 0.00 N ATOM 1562 CA GLY A 97 13.578 -0.934 10.472 1.00 0.00 C ATOM 1563 C GLY A 97 13.088 -2.271 10.981 1.00 0.00 C ATOM 1564 O GLY A 97 13.632 -2.813 11.944 1.00 0.00 O ATOM 0 H GLY A 97 11.795 -0.126 11.203 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.615 -0.952 9.383 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.596 -0.763 10.823 1.00 0.00 H new ATOM 1568 N TYR A 98 12.044 -2.798 10.351 1.00 0.00 N ATOM 1569 CA TYR A 98 11.483 -4.081 10.754 1.00 0.00 C ATOM 1570 C TYR A 98 12.431 -5.214 10.378 1.00 0.00 C ATOM 1571 O TYR A 98 12.636 -6.153 11.148 1.00 0.00 O ATOM 1572 CB TYR A 98 10.116 -4.301 10.101 1.00 0.00 C ATOM 1573 CG TYR A 98 9.437 -5.590 10.520 1.00 0.00 C ATOM 1574 CD1 TYR A 98 9.037 -5.788 11.836 1.00 0.00 C ATOM 1575 CD2 TYR A 98 9.201 -6.607 9.606 1.00 0.00 C ATOM 1576 CE1 TYR A 98 8.424 -6.964 12.228 1.00 0.00 C ATOM 1577 CE2 TYR A 98 8.589 -7.784 9.991 1.00 0.00 C ATOM 1578 CZ TYR A 98 8.203 -7.958 11.300 1.00 0.00 C ATOM 1579 OH TYR A 98 7.601 -9.135 11.686 1.00 0.00 O ATOM 0 H TYR A 98 11.571 -2.358 9.562 1.00 0.00 H new ATOM 0 HA TYR A 98 11.353 -4.074 11.836 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.466 -3.462 10.349 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.237 -4.301 9.018 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.208 -5.010 12.565 1.00 0.00 H new ATOM 0 HD2 TYR A 98 9.501 -6.476 8.577 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.120 -7.102 13.255 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.414 -8.566 9.266 1.00 0.00 H new ATOM 0 HH TYR A 98 6.630 -9.008 11.727 1.00 0.00 H new ATOM 1589 N LEU A 99 12.996 -5.117 9.183 1.00 0.00 N ATOM 1590 CA LEU A 99 13.947 -6.101 8.704 1.00 0.00 C ATOM 1591 C LEU A 99 15.325 -5.467 8.563 1.00 0.00 C ATOM 1592 O LEU A 99 16.264 -5.820 9.280 1.00 0.00 O ATOM 1593 CB LEU A 99 13.482 -6.661 7.360 1.00 0.00 C ATOM 1594 CG LEU A 99 12.145 -7.406 7.390 1.00 0.00 C ATOM 1595 CD1 LEU A 99 11.710 -7.786 5.983 1.00 0.00 C ATOM 1596 CD2 LEU A 99 12.241 -8.647 8.266 1.00 0.00 C ATOM 0 H LEU A 99 12.808 -4.360 8.526 1.00 0.00 H new ATOM 0 HA LEU A 99 14.009 -6.918 9.423 1.00 0.00 H new ATOM 0 HB2 LEU A 99 13.405 -5.838 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 99 14.248 -7.338 6.982 1.00 0.00 H new ATOM 0 HG LEU A 99 11.395 -6.739 7.816 1.00 0.00 H new ATOM 0 HD11 LEU A 99 10.758 -8.314 6.027 1.00 0.00 H new ATOM 0 HD12 LEU A 99 11.597 -6.884 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 99 12.463 -8.432 5.531 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.280 -9.162 8.274 1.00 0.00 H new ATOM 0 HD22 LEU A 99 13.007 -9.314 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.505 -8.355 9.283 1.00 0.00 H new ATOM 1608 N GLU A 100 15.433 -4.516 7.650 1.00 0.00 N ATOM 1609 CA GLU A 100 16.677 -3.798 7.440 1.00 0.00 C ATOM 1610 C GLU A 100 16.555 -2.353 7.898 1.00 0.00 C ATOM 1611 O GLU A 100 15.469 -1.772 7.882 1.00 0.00 O ATOM 1612 CB GLU A 100 17.070 -3.810 5.964 1.00 0.00 C ATOM 1613 CG GLU A 100 17.438 -5.176 5.414 1.00 0.00 C ATOM 1614 CD GLU A 100 17.806 -5.104 3.947 1.00 0.00 C ATOM 1615 OE1 GLU A 100 18.980 -4.805 3.637 1.00 0.00 O ATOM 1616 OE2 GLU A 100 16.915 -5.301 3.094 1.00 0.00 O ATOM 0 H GLU A 100 14.670 -4.223 7.040 1.00 0.00 H new ATOM 0 HA GLU A 100 17.444 -4.303 8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 100 16.242 -3.409 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 100 17.916 -3.137 5.822 1.00 0.00 H new ATOM 0 HG2 GLU A 100 18.275 -5.584 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 100 16.600 -5.860 5.547 1.00 0.00 H new ATOM 1623 N HIS A 101 17.676 -1.789 8.312 1.00 0.00 N ATOM 1624 CA HIS A 101 17.768 -0.366 8.583 1.00 0.00 C ATOM 1625 C HIS A 101 18.895 0.215 7.742 1.00 0.00 C ATOM 1626 O HIS A 101 20.066 0.105 8.098 1.00 0.00 O ATOM 1627 CB HIS A 101 18.016 -0.101 10.075 1.00 0.00 C ATOM 1628 CG HIS A 101 18.085 1.357 10.435 1.00 0.00 C ATOM 1629 ND1 HIS A 101 16.969 2.122 10.696 1.00 0.00 N ATOM 1630 CD2 HIS A 101 19.147 2.189 10.576 1.00 0.00 C ATOM 1631 CE1 HIS A 101 17.338 3.356 10.981 1.00 0.00 C ATOM 1632 NE2 HIS A 101 18.651 3.424 10.914 1.00 0.00 N ATOM 0 H HIS A 101 18.544 -2.302 8.469 1.00 0.00 H new ATOM 0 HA HIS A 101 16.824 0.113 8.322 1.00 0.00 H new ATOM 0 HB2 HIS A 101 17.220 -0.570 10.654 1.00 0.00 H new ATOM 0 HB3 HIS A 101 18.949 -0.581 10.368 1.00 0.00 H new ATOM 0 HD1 HIS A 101 16.006 1.786 10.672 1.00 0.00 H new ATOM 0 HD2 HIS A 101 20.187 1.929 10.447 1.00 0.00 H new ATOM 0 HE1 HIS A 101 16.675 4.172 11.228 1.00 0.00 H new ATOM 1641 N HIS A 102 18.540 0.806 6.615 1.00 0.00 N ATOM 1642 CA HIS A 102 19.536 1.298 5.676 1.00 0.00 C ATOM 1643 C HIS A 102 19.963 2.712 6.013 1.00 0.00 C ATOM 1644 O HIS A 102 19.154 3.530 6.452 1.00 0.00 O ATOM 1645 CB HIS A 102 19.009 1.250 4.240 1.00 0.00 C ATOM 1646 CG HIS A 102 19.154 -0.089 3.593 1.00 0.00 C ATOM 1647 ND1 HIS A 102 20.012 -0.326 2.543 1.00 0.00 N ATOM 1648 CD2 HIS A 102 18.550 -1.270 3.855 1.00 0.00 C ATOM 1649 CE1 HIS A 102 19.932 -1.594 2.188 1.00 0.00 C ATOM 1650 NE2 HIS A 102 19.052 -2.191 2.969 1.00 0.00 N ATOM 0 H HIS A 102 17.573 0.957 6.327 1.00 0.00 H new ATOM 0 HA HIS A 102 20.404 0.643 5.758 1.00 0.00 H new ATOM 0 HB2 HIS A 102 17.956 1.532 4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 102 19.539 1.992 3.643 1.00 0.00 H new ATOM 0 HD2 HIS A 102 17.810 -1.455 4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 102 20.492 -2.064 1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 102 18.788 -3.175 2.922 1.00 0.00 H new ATOM 1659 N HIS A 103 21.242 2.986 5.815 1.00 0.00 N ATOM 1660 CA HIS A 103 21.770 4.326 5.988 1.00 0.00 C ATOM 1661 C HIS A 103 21.441 5.143 4.740 1.00 0.00 C ATOM 1662 O HIS A 103 21.421 4.593 3.635 1.00 0.00 O ATOM 1663 CB HIS A 103 23.285 4.266 6.212 1.00 0.00 C ATOM 1664 CG HIS A 103 23.816 5.328 7.132 1.00 0.00 C ATOM 1665 ND1 HIS A 103 25.036 5.229 7.768 1.00 0.00 N ATOM 1666 CD2 HIS A 103 23.291 6.512 7.523 1.00 0.00 C ATOM 1667 CE1 HIS A 103 25.236 6.305 8.505 1.00 0.00 C ATOM 1668 NE2 HIS A 103 24.193 7.098 8.375 1.00 0.00 N ATOM 0 H HIS A 103 21.936 2.293 5.533 1.00 0.00 H new ATOM 0 HA HIS A 103 21.318 4.799 6.860 1.00 0.00 H new ATOM 0 HB2 HIS A 103 23.542 3.288 6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 103 23.787 4.352 5.248 1.00 0.00 H new ATOM 0 HD2 HIS A 103 22.338 6.920 7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 103 26.107 6.502 9.112 1.00 0.00 H new ATOM 0 HE2 HIS A 103 24.075 8.002 8.833 1.00 0.00 H new ATOM 1677 N HIS A 104 21.165 6.433 4.923 1.00 0.00 N ATOM 1678 CA HIS A 104 20.758 7.307 3.822 1.00 0.00 C ATOM 1679 C HIS A 104 21.704 7.194 2.634 1.00 0.00 C ATOM 1680 O HIS A 104 21.259 6.907 1.519 1.00 0.00 O ATOM 1681 CB HIS A 104 20.697 8.768 4.286 1.00 0.00 C ATOM 1682 CG HIS A 104 20.154 9.708 3.251 1.00 0.00 C ATOM 1683 ND1 HIS A 104 20.952 10.466 2.422 1.00 0.00 N ATOM 1684 CD2 HIS A 104 18.878 10.005 2.917 1.00 0.00 C ATOM 1685 CE1 HIS A 104 20.190 11.188 1.621 1.00 0.00 C ATOM 1686 NE2 HIS A 104 18.927 10.928 1.902 1.00 0.00 N ATOM 0 H HIS A 104 21.216 6.899 5.829 1.00 0.00 H new ATOM 0 HA HIS A 104 19.767 6.983 3.505 1.00 0.00 H new ATOM 0 HB2 HIS A 104 20.078 8.830 5.181 1.00 0.00 H new ATOM 0 HB3 HIS A 104 21.699 9.092 4.569 1.00 0.00 H new ATOM 0 HD1 HIS A 104 21.972 10.469 2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.986 9.593 3.365 1.00 0.00 H new ATOM 0 HE1 HIS A 104 20.541 11.875 0.865 1.00 0.00 H new ATOM 1695 N HIS A 105 22.998 7.415 2.892 1.00 0.00 N ATOM 1696 CA HIS A 105 24.028 7.448 1.849 1.00 0.00 C ATOM 1697 C HIS A 105 23.906 8.728 1.021 1.00 0.00 C ATOM 1698 O HIS A 105 22.806 9.160 0.684 1.00 0.00 O ATOM 1699 CB HIS A 105 23.954 6.205 0.944 1.00 0.00 C ATOM 1700 CG HIS A 105 24.912 6.229 -0.209 1.00 0.00 C ATOM 1701 ND1 HIS A 105 24.574 6.710 -1.458 1.00 0.00 N ATOM 1702 CD2 HIS A 105 26.205 5.835 -0.299 1.00 0.00 C ATOM 1703 CE1 HIS A 105 25.614 6.609 -2.262 1.00 0.00 C ATOM 1704 NE2 HIS A 105 26.614 6.083 -1.585 1.00 0.00 N ATOM 0 H HIS A 105 23.360 7.576 3.832 1.00 0.00 H new ATOM 0 HA HIS A 105 25.002 7.440 2.339 1.00 0.00 H new ATOM 0 HB2 HIS A 105 24.150 5.318 1.547 1.00 0.00 H new ATOM 0 HB3 HIS A 105 22.939 6.110 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 105 26.802 5.406 0.493 1.00 0.00 H new ATOM 0 HE1 HIS A 105 25.641 6.907 -3.300 1.00 0.00 H new ATOM 0 HE2 HIS A 105 27.544 5.891 -1.957 1.00 0.00 H new ATOM 1713 N HIS A 106 25.035 9.342 0.717 1.00 0.00 N ATOM 1714 CA HIS A 106 25.041 10.547 -0.092 1.00 0.00 C ATOM 1715 C HIS A 106 25.161 10.182 -1.563 1.00 0.00 C ATOM 1716 O HIS A 106 24.134 10.221 -2.267 1.00 0.00 O ATOM 1717 CB HIS A 106 26.188 11.474 0.319 1.00 0.00 C ATOM 1718 CG HIS A 106 26.135 12.811 -0.355 1.00 0.00 C ATOM 1719 ND1 HIS A 106 27.003 13.191 -1.354 1.00 0.00 N ATOM 1720 CD2 HIS A 106 25.298 13.858 -0.170 1.00 0.00 C ATOM 1721 CE1 HIS A 106 26.703 14.413 -1.752 1.00 0.00 C ATOM 1722 NE2 HIS A 106 25.672 14.840 -1.051 1.00 0.00 N ATOM 1723 OXT HIS A 106 26.276 9.836 -1.999 1.00 0.00 O ATOM 0 H HIS A 106 25.958 9.027 1.017 1.00 0.00 H new ATOM 0 HA HIS A 106 24.102 11.077 0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 106 26.162 11.617 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 106 27.138 10.993 0.084 1.00 0.00 H new ATOM 0 HD2 HIS A 106 24.486 13.911 0.540 1.00 0.00 H new ATOM 0 HE1 HIS A 106 27.216 14.969 -2.522 1.00 0.00 H new ATOM 0 HE2 HIS A 106 25.225 15.752 -1.148 1.00 0.00 H new TER 1732 HIS A 106