USER MOD reduce.3.24.130724 H: found=0, std=0, add=873, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 873 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN : amide:sc= 0.414 X(o=2.2,f=1.7) USER MOD Set 1.2: A 61 THR OG1 : rot 176:sc= 0.456 USER MOD Set 1.3: A 64 HIS : no HE2:sc= 0.976 K(o=2.2,f=-4.1!) USER MOD Set 1.4: A 104 TYR OH : rot 180:sc= 0.371 USER MOD Set 2.1: A 93 GLN : amide:sc= 0.841 K(o=1.3,f=-0.52) USER MOD Set 2.2: A 95 GLN : amide:sc= 0.444 K(o=1.3,f=0.14) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.04) USER MOD Single : A 28 HIS : no HD1:sc= -2.66 K(o=-2.7,f=-4.1!) USER MOD Single : A 29 SER OG : rot 3:sc= 1.01 USER MOD Single : A 35 SER OG : rot -64:sc= 1.26 USER MOD Single : A 41 MET CE :methyl -169:sc= -0.16 (180deg=-0.352) USER MOD Single : A 44 ASN : amide:sc= -0.0404 K(o=-0.04,f=-4.2!) USER MOD Single : A 60 TYR OH : rot 79:sc= 0.00229 USER MOD Single : A 66 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-0.99) USER MOD Single : A 69 THR OG1 : rot 73:sc= 0.0792 USER MOD Single : A 71 MET CE :methyl 172:sc= -0.686 (180deg=-0.977) USER MOD Single : A 75 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.023) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 92:sc= 1.17 USER MOD Single : A 89 SER OG : rot -56:sc= 1.27 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0078 USER MOD Single : A 109 SER OG : rot -170:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN :FLIP amide:sc= -0.204 F(o=-0.94,f=-0.2) USER MOD Single : A 112 THR OG1 : rot -138:sc= 1.04 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0194 K(o=-0.019,f=-1.2) USER MOD Single : A 119 SER OG : rot 161:sc= 1.27 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 134 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -7.449 17.459 -0.138 1.00 0.00 N ATOM 2 CA MET A 23 -6.532 18.424 0.498 1.00 0.00 C ATOM 3 C MET A 23 -5.563 18.952 -0.561 1.00 0.00 C ATOM 4 O MET A 23 -5.497 18.371 -1.650 1.00 0.00 O ATOM 5 CB MET A 23 -5.750 17.790 1.659 1.00 0.00 C ATOM 6 CG MET A 23 -6.598 17.005 2.672 1.00 0.00 C ATOM 7 SD MET A 23 -7.045 15.328 2.140 1.00 0.00 S ATOM 8 CE MET A 23 -7.474 14.543 3.720 1.00 0.00 C ATOM 0 HA MET A 23 -7.122 19.241 0.915 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.997 17.120 1.245 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.218 18.579 2.190 1.00 0.00 H new ATOM 0 HG2 MET A 23 -6.051 16.940 3.612 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.512 17.564 2.873 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.768 13.508 3.544 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.610 14.567 4.384 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.302 15.082 4.181 1.00 0.00 H new ATOM 20 N LYS A 24 -4.779 20.003 -0.273 1.00 0.00 N ATOM 21 CA LYS A 24 -3.634 20.326 -1.127 1.00 0.00 C ATOM 22 C LYS A 24 -2.699 19.131 -1.033 1.00 0.00 C ATOM 23 O LYS A 24 -2.268 18.798 0.071 1.00 0.00 O ATOM 24 CB LYS A 24 -2.938 21.627 -0.682 1.00 0.00 C ATOM 25 CG LYS A 24 -2.171 22.349 -1.806 1.00 0.00 C ATOM 26 CD LYS A 24 -0.924 21.657 -2.382 1.00 0.00 C ATOM 27 CE LYS A 24 0.208 21.559 -1.353 1.00 0.00 C ATOM 28 NZ LYS A 24 1.474 21.112 -1.970 1.00 0.00 N ATOM 0 H LYS A 24 -4.914 20.626 0.523 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.948 20.505 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.687 22.306 -0.275 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.244 21.396 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.866 22.524 -2.627 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.868 23.327 -1.431 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.190 20.657 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.574 22.209 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.356 22.531 -0.882 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.077 20.863 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.260 21.282 -1.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.416 20.096 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.638 21.643 -2.849 1.00 0.00 H new ATOM 42 N VAL A 25 -2.440 18.469 -2.156 1.00 0.00 N ATOM 43 CA VAL A 25 -1.545 17.323 -2.241 1.00 0.00 C ATOM 44 C VAL A 25 -0.182 17.686 -1.619 1.00 0.00 C ATOM 45 O VAL A 25 0.499 18.558 -2.162 1.00 0.00 O ATOM 46 CB VAL A 25 -1.433 16.848 -3.704 1.00 0.00 C ATOM 47 CG1 VAL A 25 -2.626 15.955 -4.068 1.00 0.00 C ATOM 48 CG2 VAL A 25 -1.364 17.957 -4.761 1.00 0.00 C ATOM 0 H VAL A 25 -2.857 18.721 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.946 16.486 -1.670 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.481 16.317 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.533 15.628 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.642 15.084 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.552 16.518 -3.947 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.287 17.510 -5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.265 18.568 -4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.491 18.582 -4.576 1.00 0.00 H new ATOM 58 N PRO A 26 0.215 17.125 -0.463 1.00 0.00 N ATOM 59 CA PRO A 26 1.467 17.481 0.211 1.00 0.00 C ATOM 60 C PRO A 26 2.700 16.957 -0.559 1.00 0.00 C ATOM 61 O PRO A 26 2.537 16.356 -1.623 1.00 0.00 O ATOM 62 CB PRO A 26 1.308 16.874 1.607 1.00 0.00 C ATOM 63 CG PRO A 26 0.436 15.650 1.390 1.00 0.00 C ATOM 64 CD PRO A 26 -0.532 16.152 0.328 1.00 0.00 C ATOM 0 HA PRO A 26 1.643 18.556 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.273 16.603 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.840 17.578 2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.013 14.791 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.077 15.345 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.888 15.332 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.410 16.610 0.784 1.00 0.00 H new ATOM 72 N PRO A 27 3.946 17.161 -0.079 1.00 0.00 N ATOM 73 CA PRO A 27 5.170 16.597 -0.669 1.00 0.00 C ATOM 74 C PRO A 27 5.292 15.058 -0.531 1.00 0.00 C ATOM 75 O PRO A 27 6.386 14.533 -0.315 1.00 0.00 O ATOM 76 CB PRO A 27 6.325 17.386 -0.024 1.00 0.00 C ATOM 77 CG PRO A 27 5.763 17.808 1.325 1.00 0.00 C ATOM 78 CD PRO A 27 4.310 18.102 0.971 1.00 0.00 C ATOM 0 HA PRO A 27 5.174 16.713 -1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.217 16.770 0.089 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.607 18.248 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.852 17.018 2.071 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.273 18.684 1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.666 17.981 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.194 19.130 0.629 1.00 0.00 H new ATOM 86 N HIS A 28 4.178 14.330 -0.633 1.00 0.00 N ATOM 87 CA HIS A 28 4.087 12.878 -0.765 1.00 0.00 C ATOM 88 C HIS A 28 4.495 12.465 -2.191 1.00 0.00 C ATOM 89 O HIS A 28 4.718 13.344 -3.033 1.00 0.00 O ATOM 90 CB HIS A 28 2.636 12.470 -0.463 1.00 0.00 C ATOM 91 CG HIS A 28 1.585 13.054 -1.386 1.00 0.00 C ATOM 92 ND1 HIS A 28 1.769 13.586 -2.646 1.00 0.00 N ATOM 93 CD2 HIS A 28 0.246 13.107 -1.117 1.00 0.00 C ATOM 94 CE1 HIS A 28 0.565 13.938 -3.121 1.00 0.00 C ATOM 95 NE2 HIS A 28 -0.399 13.680 -2.218 1.00 0.00 N ATOM 0 H HIS A 28 3.257 14.769 -0.625 1.00 0.00 H new ATOM 0 HA HIS A 28 4.759 12.376 -0.068 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.567 11.383 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.400 12.765 0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.232 12.765 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 28 0.393 14.370 -4.096 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -1.397 13.865 -2.316 1.00 0.00 H new ATOM 103 N SER A 29 4.501 11.170 -2.518 1.00 0.00 N ATOM 104 CA SER A 29 4.708 10.702 -3.886 1.00 0.00 C ATOM 105 C SER A 29 3.855 9.465 -4.126 1.00 0.00 C ATOM 106 O SER A 29 4.352 8.342 -4.043 1.00 0.00 O ATOM 107 CB SER A 29 6.194 10.436 -4.164 1.00 0.00 C ATOM 108 OG SER A 29 6.904 11.657 -4.175 1.00 0.00 O ATOM 0 H SER A 29 4.363 10.420 -1.841 1.00 0.00 H new ATOM 0 HA SER A 29 4.398 11.479 -4.584 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.603 9.773 -3.401 1.00 0.00 H new ATOM 0 HB3 SER A 29 6.309 9.929 -5.122 1.00 0.00 H new ATOM 0 HG SER A 29 6.293 12.393 -3.961 1.00 0.00 H new ATOM 114 N ILE A 30 2.581 9.696 -4.461 1.00 0.00 N ATOM 115 CA ILE A 30 1.574 8.671 -4.734 1.00 0.00 C ATOM 116 C ILE A 30 2.197 7.614 -5.620 1.00 0.00 C ATOM 117 O ILE A 30 2.125 6.440 -5.320 1.00 0.00 O ATOM 118 CB ILE A 30 0.292 9.319 -5.351 1.00 0.00 C ATOM 119 CG1 ILE A 30 -0.728 9.743 -4.280 1.00 0.00 C ATOM 120 CG2 ILE A 30 -0.525 8.497 -6.378 1.00 0.00 C ATOM 121 CD1 ILE A 30 -0.085 10.428 -3.084 1.00 0.00 C ATOM 0 H ILE A 30 2.211 10.642 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 30 1.249 8.187 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 30 0.753 10.152 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.458 10.417 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.274 8.864 -3.938 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.382 9.082 -6.713 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.105 8.254 -7.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.874 7.576 -5.912 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.856 10.703 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.625 9.748 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.438 11.325 -3.416 1.00 0.00 H new ATOM 133 N GLU A 31 2.779 8.015 -6.731 1.00 0.00 N ATOM 134 CA GLU A 31 3.210 7.094 -7.763 1.00 0.00 C ATOM 135 C GLU A 31 4.354 6.177 -7.339 1.00 0.00 C ATOM 136 O GLU A 31 4.463 5.050 -7.814 1.00 0.00 O ATOM 137 CB GLU A 31 3.479 7.936 -8.995 1.00 0.00 C ATOM 138 CG GLU A 31 2.088 8.397 -9.474 1.00 0.00 C ATOM 139 CD GLU A 31 2.167 9.467 -10.551 1.00 0.00 C ATOM 140 OE1 GLU A 31 2.276 9.145 -11.757 1.00 0.00 O ATOM 141 OE2 GLU A 31 2.068 10.663 -10.187 1.00 0.00 O ATOM 0 H GLU A 31 2.968 8.994 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 31 2.431 6.364 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.118 8.787 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.990 7.358 -9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.537 7.539 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.524 8.782 -8.624 1.00 0.00 H new ATOM 148 N ALA A 32 5.228 6.652 -6.455 1.00 0.00 N ATOM 149 CA ALA A 32 6.221 5.804 -5.796 1.00 0.00 C ATOM 150 C ALA A 32 5.513 4.843 -4.837 1.00 0.00 C ATOM 151 O ALA A 32 5.720 3.634 -4.917 1.00 0.00 O ATOM 152 CB ALA A 32 7.268 6.652 -5.066 1.00 0.00 C ATOM 0 H ALA A 32 5.269 7.632 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 32 6.750 5.220 -6.549 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.995 5.998 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.778 7.296 -5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.777 7.266 -4.311 1.00 0.00 H new ATOM 158 N GLU A 33 4.656 5.375 -3.963 1.00 0.00 N ATOM 159 CA GLU A 33 3.873 4.628 -2.980 1.00 0.00 C ATOM 160 C GLU A 33 3.074 3.501 -3.654 1.00 0.00 C ATOM 161 O GLU A 33 3.051 2.372 -3.161 1.00 0.00 O ATOM 162 CB GLU A 33 2.924 5.594 -2.250 1.00 0.00 C ATOM 163 CG GLU A 33 3.599 6.662 -1.375 1.00 0.00 C ATOM 164 CD GLU A 33 2.648 7.833 -1.092 1.00 0.00 C ATOM 165 OE1 GLU A 33 1.431 7.581 -0.904 1.00 0.00 O ATOM 166 OE2 GLU A 33 3.096 9.002 -1.036 1.00 0.00 O ATOM 0 H GLU A 33 4.482 6.379 -3.920 1.00 0.00 H new ATOM 0 HA GLU A 33 4.552 4.170 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.307 6.098 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.253 5.008 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.919 6.215 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.495 7.031 -1.874 1.00 0.00 H new ATOM 173 N GLN A 34 2.460 3.795 -4.804 1.00 0.00 N ATOM 174 CA GLN A 34 1.719 2.859 -5.624 1.00 0.00 C ATOM 175 C GLN A 34 2.623 1.687 -5.987 1.00 0.00 C ATOM 176 O GLN A 34 2.237 0.537 -5.789 1.00 0.00 O ATOM 177 CB GLN A 34 1.221 3.500 -6.933 1.00 0.00 C ATOM 178 CG GLN A 34 0.038 4.472 -6.847 1.00 0.00 C ATOM 179 CD GLN A 34 -0.479 4.790 -8.244 1.00 0.00 C ATOM 180 OE1 GLN A 34 0.264 5.246 -9.105 1.00 0.00 O ATOM 181 NE2 GLN A 34 -1.752 4.564 -8.516 1.00 0.00 N ATOM 0 H GLN A 34 2.472 4.736 -5.197 1.00 0.00 H new ATOM 0 HA GLN A 34 0.854 2.534 -5.046 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.058 4.031 -7.386 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.946 2.696 -7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.759 4.035 -6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.347 5.390 -6.347 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.368 4.184 -7.797 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.119 4.769 -9.445 1.00 0.00 H new ATOM 190 N SER A 35 3.802 1.971 -6.552 1.00 0.00 N ATOM 191 CA SER A 35 4.713 0.942 -7.016 1.00 0.00 C ATOM 192 C SER A 35 5.272 0.093 -5.868 1.00 0.00 C ATOM 193 O SER A 35 5.556 -1.086 -6.094 1.00 0.00 O ATOM 194 CB SER A 35 5.834 1.576 -7.842 1.00 0.00 C ATOM 195 OG SER A 35 5.296 2.135 -9.031 1.00 0.00 O ATOM 0 H SER A 35 4.142 2.922 -6.696 1.00 0.00 H new ATOM 0 HA SER A 35 4.150 0.258 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.335 2.349 -7.260 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.585 0.826 -8.089 1.00 0.00 H new ATOM 0 HG SER A 35 4.928 1.420 -9.591 1.00 0.00 H new ATOM 201 N VAL A 36 5.390 0.625 -4.647 1.00 0.00 N ATOM 202 CA VAL A 36 5.716 -0.202 -3.487 1.00 0.00 C ATOM 203 C VAL A 36 4.595 -1.204 -3.262 1.00 0.00 C ATOM 204 O VAL A 36 4.843 -2.407 -3.257 1.00 0.00 O ATOM 205 CB VAL A 36 5.973 0.631 -2.213 1.00 0.00 C ATOM 206 CG1 VAL A 36 6.328 -0.279 -1.026 1.00 0.00 C ATOM 207 CG2 VAL A 36 7.124 1.614 -2.413 1.00 0.00 C ATOM 0 H VAL A 36 5.265 1.616 -4.440 1.00 0.00 H new ATOM 0 HA VAL A 36 6.648 -0.726 -3.698 1.00 0.00 H new ATOM 0 HB VAL A 36 5.054 1.179 -2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.505 0.331 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.504 -0.966 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.228 -0.848 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.278 2.185 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.034 1.065 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.883 2.296 -3.229 1.00 0.00 H new ATOM 217 N LEU A 37 3.369 -0.722 -3.059 1.00 0.00 N ATOM 218 CA LEU A 37 2.267 -1.583 -2.655 1.00 0.00 C ATOM 219 C LEU A 37 1.967 -2.606 -3.744 1.00 0.00 C ATOM 220 O LEU A 37 1.815 -3.786 -3.443 1.00 0.00 O ATOM 221 CB LEU A 37 1.042 -0.738 -2.299 1.00 0.00 C ATOM 222 CG LEU A 37 1.284 0.169 -1.076 1.00 0.00 C ATOM 223 CD1 LEU A 37 0.069 1.069 -0.882 1.00 0.00 C ATOM 224 CD2 LEU A 37 1.559 -0.607 0.219 1.00 0.00 C ATOM 0 H LEU A 37 3.118 0.261 -3.169 1.00 0.00 H new ATOM 0 HA LEU A 37 2.550 -2.139 -1.761 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.769 -0.122 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.197 -1.396 -2.097 1.00 0.00 H new ATOM 0 HG LEU A 37 2.181 0.752 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.229 1.715 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.076 1.681 -1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.816 0.455 -0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.720 0.095 1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.705 -1.244 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.448 -1.225 0.091 1.00 0.00 H new ATOM 236 N GLY A 38 1.973 -2.184 -5.008 1.00 0.00 N ATOM 237 CA GLY A 38 1.906 -3.080 -6.150 1.00 0.00 C ATOM 238 C GLY A 38 2.992 -4.149 -6.106 1.00 0.00 C ATOM 239 O GLY A 38 2.726 -5.315 -6.399 1.00 0.00 O ATOM 0 H GLY A 38 2.025 -1.198 -5.265 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.927 -3.559 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.004 -2.503 -7.069 1.00 0.00 H new ATOM 243 N GLY A 39 4.209 -3.777 -5.694 1.00 0.00 N ATOM 244 CA GLY A 39 5.315 -4.701 -5.578 1.00 0.00 C ATOM 245 C GLY A 39 5.058 -5.781 -4.533 1.00 0.00 C ATOM 246 O GLY A 39 5.577 -6.879 -4.688 1.00 0.00 O ATOM 0 H GLY A 39 4.443 -2.819 -5.433 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.497 -5.170 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.219 -4.152 -5.315 1.00 0.00 H new ATOM 250 N LEU A 40 4.263 -5.515 -3.497 1.00 0.00 N ATOM 251 CA LEU A 40 4.011 -6.477 -2.428 1.00 0.00 C ATOM 252 C LEU A 40 3.051 -7.575 -2.874 1.00 0.00 C ATOM 253 O LEU A 40 3.229 -8.730 -2.485 1.00 0.00 O ATOM 254 CB LEU A 40 3.457 -5.758 -1.195 1.00 0.00 C ATOM 255 CG LEU A 40 4.479 -4.816 -0.541 1.00 0.00 C ATOM 256 CD1 LEU A 40 3.795 -3.979 0.535 1.00 0.00 C ATOM 257 CD2 LEU A 40 5.646 -5.594 0.070 1.00 0.00 C ATOM 0 H LEU A 40 3.776 -4.627 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 40 4.959 -6.950 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.574 -5.186 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.134 -6.499 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 40 4.879 -4.162 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.524 -3.313 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.997 -3.388 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.374 -4.637 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.350 -4.897 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.269 -6.277 0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.151 -6.164 -0.710 1.00 0.00 H new ATOM 269 N MET A 41 2.062 -7.253 -3.713 1.00 0.00 N ATOM 270 CA MET A 41 1.245 -8.272 -4.374 1.00 0.00 C ATOM 271 C MET A 41 2.104 -9.100 -5.345 1.00 0.00 C ATOM 272 O MET A 41 1.759 -10.243 -5.662 1.00 0.00 O ATOM 273 CB MET A 41 0.051 -7.639 -5.107 1.00 0.00 C ATOM 274 CG MET A 41 -1.047 -7.156 -4.148 1.00 0.00 C ATOM 275 SD MET A 41 -0.971 -5.419 -3.637 1.00 0.00 S ATOM 276 CE MET A 41 -1.540 -4.582 -5.135 1.00 0.00 C ATOM 0 H MET A 41 1.809 -6.294 -3.950 1.00 0.00 H new ATOM 0 HA MET A 41 0.848 -8.937 -3.607 1.00 0.00 H new ATOM 0 HB2 MET A 41 0.402 -6.797 -5.704 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.372 -8.367 -5.799 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.013 -7.330 -4.621 1.00 0.00 H new ATOM 0 HG3 MET A 41 -1.014 -7.776 -3.252 1.00 0.00 H new ATOM 0 HE1 MET A 41 -1.363 -3.510 -5.043 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.995 -4.967 -5.997 1.00 0.00 H new ATOM 0 HE3 MET A 41 -2.606 -4.763 -5.270 1.00 0.00 H new ATOM 286 N LEU A 42 3.202 -8.529 -5.854 1.00 0.00 N ATOM 287 CA LEU A 42 4.095 -9.170 -6.810 1.00 0.00 C ATOM 288 C LEU A 42 5.137 -10.069 -6.153 1.00 0.00 C ATOM 289 O LEU A 42 5.403 -11.150 -6.679 1.00 0.00 O ATOM 290 CB LEU A 42 4.752 -8.118 -7.701 1.00 0.00 C ATOM 291 CG LEU A 42 3.900 -7.899 -8.957 1.00 0.00 C ATOM 292 CD1 LEU A 42 4.163 -6.501 -9.495 1.00 0.00 C ATOM 293 CD2 LEU A 42 4.197 -8.972 -10.013 1.00 0.00 C ATOM 0 H LEU A 42 3.496 -7.585 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 42 3.483 -9.829 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.860 -7.181 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.755 -8.440 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 42 2.844 -7.987 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.561 -6.336 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.897 -5.764 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.219 -6.400 -9.745 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.581 -8.795 -10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.250 -8.927 -10.291 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.972 -9.957 -9.604 1.00 0.00 H new ATOM 305 N ASP A 43 5.730 -9.642 -5.046 1.00 0.00 N ATOM 306 CA ASP A 43 6.741 -10.376 -4.284 1.00 0.00 C ATOM 307 C ASP A 43 6.503 -10.222 -2.786 1.00 0.00 C ATOM 308 O ASP A 43 6.791 -9.190 -2.177 1.00 0.00 O ATOM 309 CB ASP A 43 8.182 -9.974 -4.629 1.00 0.00 C ATOM 310 CG ASP A 43 9.192 -10.813 -3.830 1.00 0.00 C ATOM 311 OD1 ASP A 43 8.807 -11.864 -3.265 1.00 0.00 O ATOM 312 OD2 ASP A 43 10.386 -10.440 -3.797 1.00 0.00 O ATOM 0 H ASP A 43 5.512 -8.735 -4.634 1.00 0.00 H new ATOM 0 HA ASP A 43 6.630 -11.422 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.356 -10.108 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.330 -8.916 -4.413 1.00 0.00 H new ATOM 317 N ASN A 44 5.979 -11.293 -2.197 1.00 0.00 N ATOM 318 CA ASN A 44 5.600 -11.406 -0.797 1.00 0.00 C ATOM 319 C ASN A 44 6.820 -11.215 0.100 1.00 0.00 C ATOM 320 O ASN A 44 6.689 -10.671 1.195 1.00 0.00 O ATOM 321 CB ASN A 44 4.984 -12.792 -0.507 1.00 0.00 C ATOM 322 CG ASN A 44 3.801 -13.152 -1.401 1.00 0.00 C ATOM 323 OD1 ASN A 44 3.852 -12.973 -2.618 1.00 0.00 O ATOM 324 ND2 ASN A 44 2.705 -13.648 -0.866 1.00 0.00 N ATOM 0 H ASN A 44 5.798 -12.153 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 44 4.863 -10.631 -0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.757 -13.552 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.661 -12.823 0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.908 -13.880 -1.459 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.653 -13.800 0.141 1.00 0.00 H new ATOM 331 N GLU A 45 8.000 -11.665 -0.335 1.00 0.00 N ATOM 332 CA GLU A 45 9.227 -11.610 0.454 1.00 0.00 C ATOM 333 C GLU A 45 9.659 -10.174 0.701 1.00 0.00 C ATOM 334 O GLU A 45 10.186 -9.857 1.769 1.00 0.00 O ATOM 335 CB GLU A 45 10.349 -12.323 -0.310 1.00 0.00 C ATOM 336 CG GLU A 45 10.173 -13.836 -0.451 1.00 0.00 C ATOM 337 CD GLU A 45 10.333 -14.519 0.902 1.00 0.00 C ATOM 338 OE1 GLU A 45 11.483 -14.598 1.401 1.00 0.00 O ATOM 339 OE2 GLU A 45 9.313 -14.969 1.477 1.00 0.00 O ATOM 0 H GLU A 45 8.128 -12.082 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 45 9.035 -12.093 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.425 -11.887 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.294 -12.128 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.188 -14.057 -0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.908 -14.230 -1.153 1.00 0.00 H new ATOM 346 N ARG A 46 9.380 -9.276 -0.245 1.00 0.00 N ATOM 347 CA ARG A 46 9.786 -7.890 -0.100 1.00 0.00 C ATOM 348 C ARG A 46 8.920 -7.172 0.927 1.00 0.00 C ATOM 349 O ARG A 46 9.219 -6.020 1.220 1.00 0.00 O ATOM 350 CB ARG A 46 9.791 -7.205 -1.469 1.00 0.00 C ATOM 351 CG ARG A 46 10.935 -7.733 -2.353 1.00 0.00 C ATOM 352 CD ARG A 46 12.287 -7.101 -1.996 1.00 0.00 C ATOM 353 NE ARG A 46 13.398 -7.307 -2.951 1.00 0.00 N ATOM 354 CZ ARG A 46 13.595 -8.176 -3.959 1.00 0.00 C ATOM 355 NH1 ARG A 46 12.733 -9.115 -4.333 1.00 0.00 N ATOM 356 NH2 ARG A 46 14.724 -8.096 -4.648 1.00 0.00 N ATOM 0 H ARG A 46 8.880 -9.487 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 46 10.805 -7.847 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.836 -7.374 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.896 -6.128 -1.339 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.003 -8.816 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.706 -7.529 -3.399 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.138 -6.028 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 46 12.597 -7.490 -1.026 1.00 0.00 H new ATOM 0 HE ARG A 46 14.173 -6.657 -2.818 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.844 -9.216 -3.843 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.960 -9.735 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.418 -7.388 -4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 46 14.899 -8.743 -5.417 1.00 0.00 H new ATOM 370 N TRP A 47 7.918 -7.831 1.525 1.00 0.00 N ATOM 371 CA TRP A 47 7.214 -7.299 2.680 1.00 0.00 C ATOM 372 C TRP A 47 8.212 -6.904 3.748 1.00 0.00 C ATOM 373 O TRP A 47 8.078 -5.824 4.307 1.00 0.00 O ATOM 374 CB TRP A 47 6.253 -8.333 3.274 1.00 0.00 C ATOM 375 CG TRP A 47 5.688 -7.883 4.583 1.00 0.00 C ATOM 376 CD1 TRP A 47 6.158 -8.208 5.811 1.00 0.00 C ATOM 377 CD2 TRP A 47 4.690 -6.850 4.801 1.00 0.00 C ATOM 378 NE1 TRP A 47 5.484 -7.476 6.772 1.00 0.00 N ATOM 379 CE2 TRP A 47 4.594 -6.594 6.199 1.00 0.00 C ATOM 380 CE3 TRP A 47 3.870 -6.092 3.942 1.00 0.00 C ATOM 381 CZ2 TRP A 47 3.741 -5.607 6.715 1.00 0.00 C ATOM 382 CZ3 TRP A 47 2.985 -5.128 4.453 1.00 0.00 C ATOM 383 CH2 TRP A 47 2.934 -4.869 5.831 1.00 0.00 C ATOM 0 H TRP A 47 7.580 -8.743 1.217 1.00 0.00 H new ATOM 0 HA TRP A 47 6.641 -6.433 2.349 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.440 -8.518 2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.777 -9.279 3.411 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.939 -8.928 6.009 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.628 -7.576 7.777 1.00 0.00 H new ATOM 0 HE3 TRP A 47 3.922 -6.254 2.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.705 -5.416 7.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.339 -4.583 3.781 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.275 -4.103 6.213 1.00 0.00 H new ATOM 394 N ASP A 48 9.187 -7.763 4.034 1.00 0.00 N ATOM 395 CA ASP A 48 10.176 -7.495 5.076 1.00 0.00 C ATOM 396 C ASP A 48 11.053 -6.315 4.714 1.00 0.00 C ATOM 397 O ASP A 48 11.456 -5.545 5.578 1.00 0.00 O ATOM 398 CB ASP A 48 11.090 -8.714 5.220 1.00 0.00 C ATOM 399 CG ASP A 48 10.514 -9.894 6.000 1.00 0.00 C ATOM 400 OD1 ASP A 48 9.414 -9.824 6.591 1.00 0.00 O ATOM 401 OD2 ASP A 48 11.190 -10.949 6.017 1.00 0.00 O ATOM 0 H ASP A 48 9.314 -8.655 3.556 1.00 0.00 H new ATOM 0 HA ASP A 48 9.638 -7.279 5.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.360 -9.061 4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.012 -8.397 5.708 1.00 0.00 H new ATOM 406 N ASP A 49 11.340 -6.188 3.426 1.00 0.00 N ATOM 407 CA ASP A 49 12.264 -5.208 2.877 1.00 0.00 C ATOM 408 C ASP A 49 11.630 -3.838 2.999 1.00 0.00 C ATOM 409 O ASP A 49 12.201 -2.892 3.528 1.00 0.00 O ATOM 410 CB ASP A 49 12.558 -5.565 1.411 1.00 0.00 C ATOM 411 CG ASP A 49 13.975 -5.228 0.968 1.00 0.00 C ATOM 412 OD1 ASP A 49 14.589 -4.257 1.464 1.00 0.00 O ATOM 413 OD2 ASP A 49 14.475 -5.962 0.087 1.00 0.00 O ATOM 0 H ASP A 49 10.922 -6.784 2.712 1.00 0.00 H new ATOM 0 HA ASP A 49 13.209 -5.206 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.386 -6.631 1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.852 -5.037 0.770 1.00 0.00 H new ATOM 418 N VAL A 50 10.372 -3.770 2.589 1.00 0.00 N ATOM 419 CA VAL A 50 9.513 -2.629 2.755 1.00 0.00 C ATOM 420 C VAL A 50 9.286 -2.385 4.251 1.00 0.00 C ATOM 421 O VAL A 50 9.385 -1.239 4.665 1.00 0.00 O ATOM 422 CB VAL A 50 8.240 -2.924 1.950 1.00 0.00 C ATOM 423 CG1 VAL A 50 7.146 -1.879 2.197 1.00 0.00 C ATOM 424 CG2 VAL A 50 8.550 -2.921 0.439 1.00 0.00 C ATOM 0 H VAL A 50 9.912 -4.546 2.113 1.00 0.00 H new ATOM 0 HA VAL A 50 9.940 -1.700 2.377 1.00 0.00 H new ATOM 0 HB VAL A 50 7.887 -3.901 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.264 -2.129 1.607 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.884 -1.870 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.511 -0.894 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.638 -3.132 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.936 -1.944 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 50 9.295 -3.685 0.219 1.00 0.00 H new ATOM 434 N ALA A 51 9.055 -3.397 5.091 1.00 0.00 N ATOM 435 CA ALA A 51 8.838 -3.200 6.526 1.00 0.00 C ATOM 436 C ALA A 51 10.078 -2.641 7.232 1.00 0.00 C ATOM 437 O ALA A 51 9.956 -2.011 8.288 1.00 0.00 O ATOM 438 CB ALA A 51 8.383 -4.502 7.201 1.00 0.00 C ATOM 0 H ALA A 51 9.013 -4.373 4.797 1.00 0.00 H new ATOM 0 HA ALA A 51 8.045 -2.459 6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.230 -4.326 8.266 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.449 -4.838 6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.147 -5.268 7.066 1.00 0.00 H new ATOM 444 N GLU A 52 11.271 -2.854 6.675 1.00 0.00 N ATOM 445 CA GLU A 52 12.516 -2.267 7.144 1.00 0.00 C ATOM 446 C GLU A 52 12.828 -0.914 6.491 1.00 0.00 C ATOM 447 O GLU A 52 13.852 -0.293 6.788 1.00 0.00 O ATOM 448 CB GLU A 52 13.698 -3.238 7.184 1.00 0.00 C ATOM 449 CG GLU A 52 14.295 -3.508 5.812 1.00 0.00 C ATOM 450 CD GLU A 52 15.704 -4.098 5.864 1.00 0.00 C ATOM 451 OE1 GLU A 52 16.076 -4.759 6.866 1.00 0.00 O ATOM 452 OE2 GLU A 52 16.468 -3.856 4.895 1.00 0.00 O ATOM 0 H GLU A 52 11.396 -3.458 5.862 1.00 0.00 H new ATOM 0 HA GLU A 52 12.342 -2.039 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.471 -2.833 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.371 -4.181 7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.643 -4.193 5.270 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.321 -2.577 5.246 1.00 0.00 H new ATOM 459 N ARG A 53 11.966 -0.445 5.590 1.00 0.00 N ATOM 460 CA ARG A 53 11.996 0.910 5.057 1.00 0.00 C ATOM 461 C ARG A 53 10.887 1.746 5.666 1.00 0.00 C ATOM 462 O ARG A 53 11.118 2.927 5.896 1.00 0.00 O ATOM 463 CB ARG A 53 11.872 0.912 3.517 1.00 0.00 C ATOM 464 CG ARG A 53 13.019 0.267 2.715 1.00 0.00 C ATOM 465 CD ARG A 53 14.358 0.983 2.864 1.00 0.00 C ATOM 466 NE ARG A 53 14.965 0.709 4.171 1.00 0.00 N ATOM 467 CZ ARG A 53 15.923 1.424 4.757 1.00 0.00 C ATOM 468 NH1 ARG A 53 16.528 2.410 4.101 1.00 0.00 N ATOM 469 NH2 ARG A 53 16.231 1.141 6.016 1.00 0.00 N ATOM 0 H ARG A 53 11.211 -1.012 5.204 1.00 0.00 H new ATOM 0 HA ARG A 53 12.959 1.347 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.946 0.401 3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 53 11.770 1.946 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.135 -0.769 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.745 0.246 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.035 0.662 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.214 2.057 2.745 1.00 0.00 H new ATOM 0 HE ARG A 53 14.621 -0.106 4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.259 2.624 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.261 2.952 4.558 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.738 0.394 6.506 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.960 1.670 6.494 1.00 0.00 H new ATOM 483 N VAL A 54 9.715 1.173 5.940 1.00 0.00 N ATOM 484 CA VAL A 54 8.536 1.942 6.288 1.00 0.00 C ATOM 485 C VAL A 54 7.512 1.178 7.140 1.00 0.00 C ATOM 486 O VAL A 54 7.587 -0.040 7.316 1.00 0.00 O ATOM 487 CB VAL A 54 7.853 2.342 4.960 1.00 0.00 C ATOM 488 CG1 VAL A 54 8.525 3.500 4.207 1.00 0.00 C ATOM 489 CG2 VAL A 54 7.622 1.162 4.005 1.00 0.00 C ATOM 0 H VAL A 54 9.564 0.164 5.925 1.00 0.00 H new ATOM 0 HA VAL A 54 8.862 2.791 6.889 1.00 0.00 H new ATOM 0 HB VAL A 54 6.882 2.706 5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.974 3.706 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.528 4.390 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 54 9.551 3.227 3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.139 1.519 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.579 0.705 3.753 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.983 0.423 4.488 1.00 0.00 H new ATOM 499 N VAL A 55 6.494 1.911 7.595 1.00 0.00 N ATOM 500 CA VAL A 55 5.261 1.451 8.221 1.00 0.00 C ATOM 501 C VAL A 55 4.083 2.188 7.561 1.00 0.00 C ATOM 502 O VAL A 55 4.286 3.119 6.775 1.00 0.00 O ATOM 503 CB VAL A 55 5.309 1.651 9.747 1.00 0.00 C ATOM 504 CG1 VAL A 55 6.256 0.636 10.389 1.00 0.00 C ATOM 505 CG2 VAL A 55 5.705 3.076 10.166 1.00 0.00 C ATOM 0 H VAL A 55 6.517 2.928 7.527 1.00 0.00 H new ATOM 0 HA VAL A 55 5.132 0.380 8.068 1.00 0.00 H new ATOM 0 HB VAL A 55 4.292 1.491 10.106 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.278 0.791 11.468 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.906 -0.374 10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.259 0.767 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.719 3.145 11.254 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.696 3.308 9.775 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.982 3.787 9.766 1.00 0.00 H new ATOM 515 N ALA A 56 2.840 1.816 7.893 1.00 0.00 N ATOM 516 CA ALA A 56 1.646 2.447 7.330 1.00 0.00 C ATOM 517 C ALA A 56 1.603 3.952 7.605 1.00 0.00 C ATOM 518 O ALA A 56 0.917 4.690 6.903 1.00 0.00 O ATOM 519 CB ALA A 56 0.379 1.796 7.901 1.00 0.00 C ATOM 0 H ALA A 56 2.637 1.070 8.559 1.00 0.00 H new ATOM 0 HA ALA A 56 1.689 2.300 6.251 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.501 2.276 7.473 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.371 0.735 7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.366 1.914 8.984 1.00 0.00 H new ATOM 525 N ASP A 57 2.275 4.426 8.649 1.00 0.00 N ATOM 526 CA ASP A 57 2.307 5.836 9.016 1.00 0.00 C ATOM 527 C ASP A 57 3.253 6.665 8.155 1.00 0.00 C ATOM 528 O ASP A 57 3.199 7.891 8.249 1.00 0.00 O ATOM 529 CB ASP A 57 2.729 5.976 10.488 1.00 0.00 C ATOM 530 CG ASP A 57 1.515 5.971 11.398 1.00 0.00 C ATOM 531 OD1 ASP A 57 0.783 6.982 11.414 1.00 0.00 O ATOM 532 OD2 ASP A 57 1.264 4.949 12.076 1.00 0.00 O ATOM 0 H ASP A 57 2.821 3.832 9.273 1.00 0.00 H new ATOM 0 HA ASP A 57 1.300 6.220 8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.396 5.158 10.759 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.288 6.902 10.625 1.00 0.00 H new ATOM 537 N ASP A 58 4.125 6.065 7.344 1.00 0.00 N ATOM 538 CA ASP A 58 4.980 6.821 6.431 1.00 0.00 C ATOM 539 C ASP A 58 4.169 7.335 5.242 1.00 0.00 C ATOM 540 O ASP A 58 4.486 8.366 4.655 1.00 0.00 O ATOM 541 CB ASP A 58 6.135 5.937 5.948 1.00 0.00 C ATOM 542 CG ASP A 58 7.189 5.759 7.036 1.00 0.00 C ATOM 543 OD1 ASP A 58 7.810 6.763 7.456 1.00 0.00 O ATOM 544 OD2 ASP A 58 7.375 4.620 7.509 1.00 0.00 O ATOM 0 H ASP A 58 4.257 5.054 7.302 1.00 0.00 H new ATOM 0 HA ASP A 58 5.390 7.680 6.962 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.749 4.962 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.593 6.383 5.065 1.00 0.00 H new ATOM 549 N PHE A 59 3.094 6.626 4.900 1.00 0.00 N ATOM 550 CA PHE A 59 2.150 7.000 3.867 1.00 0.00 C ATOM 551 C PHE A 59 1.115 7.952 4.479 1.00 0.00 C ATOM 552 O PHE A 59 0.963 8.040 5.700 1.00 0.00 O ATOM 553 CB PHE A 59 1.481 5.726 3.329 1.00 0.00 C ATOM 554 CG PHE A 59 2.391 4.731 2.624 1.00 0.00 C ATOM 555 CD1 PHE A 59 3.336 3.980 3.351 1.00 0.00 C ATOM 556 CD2 PHE A 59 2.249 4.500 1.243 1.00 0.00 C ATOM 557 CE1 PHE A 59 4.138 3.035 2.698 1.00 0.00 C ATOM 558 CE2 PHE A 59 2.986 3.482 0.611 1.00 0.00 C ATOM 559 CZ PHE A 59 3.935 2.747 1.338 1.00 0.00 C ATOM 0 H PHE A 59 2.855 5.745 5.355 1.00 0.00 H new ATOM 0 HA PHE A 59 2.648 7.507 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.997 5.216 4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.694 6.020 2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.442 4.133 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.570 5.108 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.918 2.524 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.821 3.266 -0.434 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.505 1.966 0.856 1.00 0.00 H new ATOM 569 N TYR A 60 0.347 8.640 3.635 1.00 0.00 N ATOM 570 CA TYR A 60 -0.606 9.671 4.023 1.00 0.00 C ATOM 571 C TYR A 60 -1.975 9.473 3.359 1.00 0.00 C ATOM 572 O TYR A 60 -3.000 9.787 3.966 1.00 0.00 O ATOM 573 CB TYR A 60 0.054 11.013 3.670 1.00 0.00 C ATOM 574 CG TYR A 60 -0.883 12.168 3.397 1.00 0.00 C ATOM 575 CD1 TYR A 60 -1.422 12.297 2.107 1.00 0.00 C ATOM 576 CD2 TYR A 60 -1.186 13.123 4.382 1.00 0.00 C ATOM 577 CE1 TYR A 60 -2.250 13.378 1.792 1.00 0.00 C ATOM 578 CE2 TYR A 60 -2.014 14.219 4.073 1.00 0.00 C ATOM 579 CZ TYR A 60 -2.555 14.349 2.769 1.00 0.00 C ATOM 580 OH TYR A 60 -3.361 15.398 2.441 1.00 0.00 O ATOM 0 H TYR A 60 0.375 8.487 2.627 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.826 9.629 5.090 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.715 11.295 4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.681 10.865 2.791 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.196 11.557 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.783 13.016 5.378 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.658 13.470 0.796 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -2.237 14.959 4.828 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.297 15.106 2.448 1.00 0.00 H new ATOM 590 N THR A 61 -2.022 8.954 2.134 1.00 0.00 N ATOM 591 CA THR A 61 -3.249 8.823 1.352 1.00 0.00 C ATOM 592 C THR A 61 -4.135 7.694 1.875 1.00 0.00 C ATOM 593 O THR A 61 -3.642 6.725 2.458 1.00 0.00 O ATOM 594 CB THR A 61 -2.887 8.541 -0.111 1.00 0.00 C ATOM 595 OG1 THR A 61 -1.778 7.680 -0.219 1.00 0.00 O ATOM 596 CG2 THR A 61 -2.546 9.807 -0.870 1.00 0.00 C ATOM 0 H THR A 61 -1.195 8.607 1.649 1.00 0.00 H new ATOM 0 HA THR A 61 -3.805 9.757 1.438 1.00 0.00 H new ATOM 0 HB THR A 61 -3.774 8.075 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.621 7.465 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.296 9.557 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.403 10.481 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.693 10.295 -0.398 1.00 0.00 H new ATOM 604 N ARG A 62 -5.448 7.777 1.612 1.00 0.00 N ATOM 605 CA ARG A 62 -6.386 6.749 2.055 1.00 0.00 C ATOM 606 C ARG A 62 -6.055 5.390 1.448 1.00 0.00 C ATOM 607 O ARG A 62 -5.831 4.478 2.234 1.00 0.00 O ATOM 608 CB ARG A 62 -7.836 7.124 1.709 1.00 0.00 C ATOM 609 CG ARG A 62 -8.625 7.699 2.886 1.00 0.00 C ATOM 610 CD ARG A 62 -10.045 8.030 2.415 1.00 0.00 C ATOM 611 NE ARG A 62 -10.761 8.838 3.411 1.00 0.00 N ATOM 612 CZ ARG A 62 -11.818 8.486 4.148 1.00 0.00 C ATOM 613 NH1 ARG A 62 -12.434 7.320 3.975 1.00 0.00 N ATOM 614 NH2 ARG A 62 -12.261 9.312 5.085 1.00 0.00 N ATOM 0 H ARG A 62 -5.878 8.545 1.096 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.288 6.683 3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.829 7.853 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.351 6.238 1.337 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.657 6.981 3.705 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.135 8.595 3.267 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.000 8.570 1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.594 7.107 2.230 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.408 9.784 3.558 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.101 6.668 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.239 7.078 4.553 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.796 10.207 5.238 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.067 9.053 5.653 1.00 0.00 H new ATOM 628 N PRO A 63 -5.979 5.198 0.115 1.00 0.00 N ATOM 629 CA PRO A 63 -5.866 3.851 -0.424 1.00 0.00 C ATOM 630 C PRO A 63 -4.541 3.233 -0.024 1.00 0.00 C ATOM 631 O PRO A 63 -4.512 2.078 0.389 1.00 0.00 O ATOM 632 CB PRO A 63 -6.005 3.975 -1.944 1.00 0.00 C ATOM 633 CG PRO A 63 -5.612 5.422 -2.212 1.00 0.00 C ATOM 634 CD PRO A 63 -6.140 6.146 -0.975 1.00 0.00 C ATOM 0 HA PRO A 63 -6.641 3.193 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.351 3.277 -2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.023 3.766 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.533 5.536 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.065 5.802 -3.128 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.581 7.063 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.185 6.430 -1.100 1.00 0.00 H new ATOM 642 N HIS A 64 -3.452 3.996 -0.129 1.00 0.00 N ATOM 643 CA HIS A 64 -2.138 3.466 0.156 1.00 0.00 C ATOM 644 C HIS A 64 -2.053 3.064 1.641 1.00 0.00 C ATOM 645 O HIS A 64 -1.583 1.965 1.938 1.00 0.00 O ATOM 646 CB HIS A 64 -1.052 4.460 -0.296 1.00 0.00 C ATOM 647 CG HIS A 64 -1.108 4.933 -1.745 1.00 0.00 C ATOM 648 ND1 HIS A 64 -0.409 6.004 -2.263 1.00 0.00 N ATOM 649 CD2 HIS A 64 -1.776 4.354 -2.792 1.00 0.00 C ATOM 650 CE1 HIS A 64 -0.618 6.057 -3.591 1.00 0.00 C ATOM 651 NE2 HIS A 64 -1.495 5.099 -3.945 1.00 0.00 N ATOM 0 H HIS A 64 -3.464 4.977 -0.409 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.958 2.556 -0.417 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.105 5.337 0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.079 3.999 -0.127 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.171 6.650 -1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.407 3.479 -2.738 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.154 6.759 -4.268 1.00 0.00 H new ATOM 659 N ARG A 65 -2.571 3.879 2.575 1.00 0.00 N ATOM 660 CA ARG A 65 -2.584 3.498 3.991 1.00 0.00 C ATOM 661 C ARG A 65 -3.513 2.325 4.266 1.00 0.00 C ATOM 662 O ARG A 65 -3.091 1.400 4.947 1.00 0.00 O ATOM 663 CB ARG A 65 -2.931 4.674 4.917 1.00 0.00 C ATOM 664 CG ARG A 65 -1.717 5.606 5.080 1.00 0.00 C ATOM 665 CD ARG A 65 -1.726 6.588 6.267 1.00 0.00 C ATOM 666 NE ARG A 65 -2.733 6.275 7.289 1.00 0.00 N ATOM 667 CZ ARG A 65 -2.503 5.613 8.426 1.00 0.00 C ATOM 668 NH1 ARG A 65 -1.290 5.155 8.720 1.00 0.00 N ATOM 669 NH2 ARG A 65 -3.494 5.394 9.275 1.00 0.00 N ATOM 0 H ARG A 65 -2.980 4.792 2.376 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.564 3.185 4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.773 5.232 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.242 4.298 5.892 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.825 4.985 5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.614 6.187 4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.740 6.591 6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.904 7.596 5.891 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.688 6.589 7.116 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.517 5.307 8.073 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.133 4.652 9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.433 5.731 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.319 4.889 10.144 1.00 0.00 H new ATOM 683 N HIS A 66 -4.742 2.334 3.750 1.00 0.00 N ATOM 684 CA HIS A 66 -5.692 1.242 3.892 1.00 0.00 C ATOM 685 C HIS A 66 -5.064 -0.092 3.514 1.00 0.00 C ATOM 686 O HIS A 66 -5.168 -1.058 4.271 1.00 0.00 O ATOM 687 CB HIS A 66 -6.882 1.487 2.957 1.00 0.00 C ATOM 688 CG HIS A 66 -7.936 2.424 3.465 1.00 0.00 C ATOM 689 ND1 HIS A 66 -8.496 3.507 2.827 1.00 0.00 N ATOM 690 CD2 HIS A 66 -8.652 2.200 4.593 1.00 0.00 C ATOM 691 CE1 HIS A 66 -9.476 3.976 3.610 1.00 0.00 C ATOM 692 NE2 HIS A 66 -9.621 3.202 4.698 1.00 0.00 N ATOM 0 H HIS A 66 -5.108 3.119 3.211 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.008 1.205 4.935 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -6.502 1.877 2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.351 0.527 2.740 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.501 1.389 5.290 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.067 4.854 3.396 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -10.301 3.321 5.449 1.00 0.00 H new ATOM 700 N ILE A 67 -4.451 -0.139 2.331 1.00 0.00 N ATOM 701 CA ILE A 67 -3.796 -1.319 1.803 1.00 0.00 C ATOM 702 C ILE A 67 -2.695 -1.734 2.772 1.00 0.00 C ATOM 703 O ILE A 67 -2.660 -2.898 3.155 1.00 0.00 O ATOM 704 CB ILE A 67 -3.304 -1.027 0.371 1.00 0.00 C ATOM 705 CG1 ILE A 67 -4.526 -0.950 -0.570 1.00 0.00 C ATOM 706 CG2 ILE A 67 -2.319 -2.096 -0.121 1.00 0.00 C ATOM 707 CD1 ILE A 67 -4.201 -0.307 -1.919 1.00 0.00 C ATOM 0 H ILE A 67 -4.399 0.665 1.705 1.00 0.00 H new ATOM 0 HA ILE A 67 -4.478 -2.165 1.720 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.771 -0.076 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.913 -1.955 -0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.317 -0.380 -0.083 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.996 -1.854 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.452 -2.124 0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.808 -3.070 -0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.099 -0.282 -2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.841 0.709 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.431 -0.890 -2.424 1.00 0.00 H new ATOM 719 N PHE A 68 -1.834 -0.807 3.202 1.00 0.00 N ATOM 720 CA PHE A 68 -0.769 -1.110 4.148 1.00 0.00 C ATOM 721 C PHE A 68 -1.342 -1.722 5.432 1.00 0.00 C ATOM 722 O PHE A 68 -0.848 -2.761 5.875 1.00 0.00 O ATOM 723 CB PHE A 68 0.062 0.152 4.429 1.00 0.00 C ATOM 724 CG PHE A 68 1.495 -0.117 4.848 1.00 0.00 C ATOM 725 CD1 PHE A 68 1.793 -0.862 6.007 1.00 0.00 C ATOM 726 CD2 PHE A 68 2.550 0.391 4.066 1.00 0.00 C ATOM 727 CE1 PHE A 68 3.127 -1.086 6.383 1.00 0.00 C ATOM 728 CE2 PHE A 68 3.882 0.166 4.447 1.00 0.00 C ATOM 729 CZ PHE A 68 4.172 -0.557 5.610 1.00 0.00 C ATOM 0 H PHE A 68 -1.859 0.168 2.903 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.103 -1.854 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.070 0.773 3.533 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.430 0.728 5.213 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.991 -1.263 6.609 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.334 0.955 3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.349 -1.665 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.687 0.553 3.840 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.198 -0.707 5.912 1.00 0.00 H new ATOM 739 N THR A 69 -2.379 -1.114 6.021 1.00 0.00 N ATOM 740 CA THR A 69 -3.001 -1.620 7.232 1.00 0.00 C ATOM 741 C THR A 69 -3.508 -3.042 7.005 1.00 0.00 C ATOM 742 O THR A 69 -3.217 -3.905 7.833 1.00 0.00 O ATOM 743 CB THR A 69 -4.096 -0.645 7.714 1.00 0.00 C ATOM 744 OG1 THR A 69 -3.540 0.631 8.001 1.00 0.00 O ATOM 745 CG2 THR A 69 -4.809 -1.125 8.981 1.00 0.00 C ATOM 0 H THR A 69 -2.804 -0.258 5.665 1.00 0.00 H new ATOM 0 HA THR A 69 -2.266 -1.678 8.035 1.00 0.00 H new ATOM 0 HB THR A 69 -4.818 -0.591 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.308 1.083 7.163 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.567 -0.397 9.270 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.284 -2.087 8.789 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.084 -1.233 9.788 1.00 0.00 H new ATOM 753 N GLU A 70 -4.223 -3.309 5.910 1.00 0.00 N ATOM 754 CA GLU A 70 -4.770 -4.633 5.654 1.00 0.00 C ATOM 755 C GLU A 70 -3.653 -5.650 5.399 1.00 0.00 C ATOM 756 O GLU A 70 -3.718 -6.760 5.914 1.00 0.00 O ATOM 757 CB GLU A 70 -5.751 -4.590 4.476 1.00 0.00 C ATOM 758 CG GLU A 70 -6.759 -5.747 4.577 1.00 0.00 C ATOM 759 CD GLU A 70 -7.881 -5.482 5.589 1.00 0.00 C ATOM 760 OE1 GLU A 70 -8.407 -4.349 5.631 1.00 0.00 O ATOM 761 OE2 GLU A 70 -8.234 -6.410 6.355 1.00 0.00 O ATOM 0 H GLU A 70 -4.434 -2.620 5.188 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.315 -4.954 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.280 -3.637 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.204 -4.657 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.198 -5.925 3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.231 -6.657 4.860 1.00 0.00 H new ATOM 768 N MET A 71 -2.607 -5.279 4.653 1.00 0.00 N ATOM 769 CA MET A 71 -1.459 -6.135 4.375 1.00 0.00 C ATOM 770 C MET A 71 -0.779 -6.552 5.673 1.00 0.00 C ATOM 771 O MET A 71 -0.524 -7.739 5.884 1.00 0.00 O ATOM 772 CB MET A 71 -0.432 -5.406 3.502 1.00 0.00 C ATOM 773 CG MET A 71 -0.802 -5.302 2.029 1.00 0.00 C ATOM 774 SD MET A 71 0.404 -4.298 1.133 1.00 0.00 S ATOM 775 CE MET A 71 -0.041 -4.730 -0.562 1.00 0.00 C ATOM 0 H MET A 71 -2.538 -4.358 4.220 1.00 0.00 H new ATOM 0 HA MET A 71 -1.827 -7.015 3.847 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.289 -4.400 3.898 1.00 0.00 H new ATOM 0 HB3 MET A 71 0.525 -5.921 3.586 1.00 0.00 H new ATOM 0 HG2 MET A 71 -0.850 -6.299 1.590 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.794 -4.862 1.929 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.508 -4.093 -1.256 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.211 -5.774 -0.750 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.112 -4.584 -0.706 1.00 0.00 H new ATOM 785 N ALA A 72 -0.447 -5.587 6.534 1.00 0.00 N ATOM 786 CA ALA A 72 0.153 -5.883 7.826 1.00 0.00 C ATOM 787 C ALA A 72 -0.798 -6.755 8.642 1.00 0.00 C ATOM 788 O ALA A 72 -0.350 -7.725 9.250 1.00 0.00 O ATOM 789 CB ALA A 72 0.486 -4.586 8.566 1.00 0.00 C ATOM 0 H ALA A 72 -0.586 -4.593 6.354 1.00 0.00 H new ATOM 0 HA ALA A 72 1.084 -6.430 7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.934 -4.822 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.188 -3.999 7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.427 -4.011 8.721 1.00 0.00 H new ATOM 795 N ARG A 73 -2.096 -6.437 8.659 1.00 0.00 N ATOM 796 CA ARG A 73 -3.084 -7.169 9.446 1.00 0.00 C ATOM 797 C ARG A 73 -3.221 -8.617 8.990 1.00 0.00 C ATOM 798 O ARG A 73 -3.263 -9.507 9.834 1.00 0.00 O ATOM 799 CB ARG A 73 -4.421 -6.419 9.414 1.00 0.00 C ATOM 800 CG ARG A 73 -5.387 -6.944 10.482 1.00 0.00 C ATOM 801 CD ARG A 73 -6.304 -5.812 10.964 1.00 0.00 C ATOM 802 NE ARG A 73 -7.063 -6.192 12.162 1.00 0.00 N ATOM 803 CZ ARG A 73 -6.585 -6.293 13.407 1.00 0.00 C ATOM 804 NH1 ARG A 73 -5.306 -6.063 13.679 1.00 0.00 N ATOM 805 NH2 ARG A 73 -7.383 -6.612 14.413 1.00 0.00 N ATOM 0 H ARG A 73 -2.489 -5.662 8.125 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.741 -7.218 10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.246 -5.355 9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.875 -6.524 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.985 -7.759 10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.826 -7.351 11.323 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.705 -4.927 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.996 -5.542 10.167 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.053 -6.400 12.032 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.664 -5.803 12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.965 -6.146 14.637 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.374 -6.784 14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.007 -6.686 15.358 1.00 0.00 H new ATOM 819 N LEU A 74 -3.243 -8.876 7.683 1.00 0.00 N ATOM 820 CA LEU A 74 -3.272 -10.211 7.120 1.00 0.00 C ATOM 821 C LEU A 74 -2.077 -11.010 7.602 1.00 0.00 C ATOM 822 O LEU A 74 -2.260 -12.123 8.088 1.00 0.00 O ATOM 823 CB LEU A 74 -3.284 -10.106 5.587 1.00 0.00 C ATOM 824 CG LEU A 74 -4.704 -9.958 5.022 1.00 0.00 C ATOM 825 CD1 LEU A 74 -4.644 -9.457 3.579 1.00 0.00 C ATOM 826 CD2 LEU A 74 -5.446 -11.301 5.058 1.00 0.00 C ATOM 0 H LEU A 74 -3.241 -8.141 6.976 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.172 -10.731 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.682 -9.251 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.817 -10.994 5.161 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.241 -9.238 5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.656 -9.355 3.187 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.145 -8.489 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.089 -10.170 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.450 -11.173 4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.904 -12.032 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.512 -11.653 6.088 1.00 0.00 H new ATOM 838 N GLN A 75 -0.875 -10.438 7.533 1.00 0.00 N ATOM 839 CA GLN A 75 0.342 -11.084 8.005 1.00 0.00 C ATOM 840 C GLN A 75 0.242 -11.388 9.498 1.00 0.00 C ATOM 841 O GLN A 75 0.668 -12.450 9.949 1.00 0.00 O ATOM 842 CB GLN A 75 1.515 -10.134 7.735 1.00 0.00 C ATOM 843 CG GLN A 75 2.861 -10.828 7.505 1.00 0.00 C ATOM 844 CD GLN A 75 2.915 -11.562 6.166 1.00 0.00 C ATOM 845 OE1 GLN A 75 3.021 -12.783 6.118 1.00 0.00 O ATOM 846 NE2 GLN A 75 2.855 -10.859 5.050 1.00 0.00 N ATOM 0 H GLN A 75 -0.721 -9.507 7.145 1.00 0.00 H new ATOM 0 HA GLN A 75 0.491 -12.029 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.280 -9.528 6.860 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.613 -9.451 8.579 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.660 -10.088 7.543 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.044 -11.537 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.767 -9.844 5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.897 -11.331 4.147 1.00 0.00 H new ATOM 855 N GLU A 76 -0.360 -10.483 10.267 1.00 0.00 N ATOM 856 CA GLU A 76 -0.582 -10.618 11.693 1.00 0.00 C ATOM 857 C GLU A 76 -1.543 -11.771 11.975 1.00 0.00 C ATOM 858 O GLU A 76 -1.423 -12.441 13.002 1.00 0.00 O ATOM 859 CB GLU A 76 -1.129 -9.269 12.195 1.00 0.00 C ATOM 860 CG GLU A 76 -0.585 -8.765 13.535 1.00 0.00 C ATOM 861 CD GLU A 76 -0.670 -7.232 13.558 1.00 0.00 C ATOM 862 OE1 GLU A 76 -1.762 -6.686 13.843 1.00 0.00 O ATOM 863 OE2 GLU A 76 0.337 -6.566 13.218 1.00 0.00 O ATOM 0 H GLU A 76 -0.718 -9.604 9.893 1.00 0.00 H new ATOM 0 HA GLU A 76 0.342 -10.856 12.219 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.921 -8.514 11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.213 -9.350 12.276 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.160 -9.187 14.359 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.447 -9.088 13.669 1.00 0.00 H new ATOM 870 N SER A 77 -2.450 -12.061 11.042 1.00 0.00 N ATOM 871 CA SER A 77 -3.345 -13.207 11.043 1.00 0.00 C ATOM 872 C SER A 77 -2.829 -14.370 10.182 1.00 0.00 C ATOM 873 O SER A 77 -3.603 -15.250 9.803 1.00 0.00 O ATOM 874 CB SER A 77 -4.749 -12.745 10.719 1.00 0.00 C ATOM 875 OG SER A 77 -5.164 -11.775 11.665 1.00 0.00 O ATOM 0 H SER A 77 -2.583 -11.468 10.223 1.00 0.00 H new ATOM 0 HA SER A 77 -3.375 -13.641 12.043 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.781 -12.324 9.714 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.433 -13.594 10.730 1.00 0.00 H new ATOM 0 HG SER A 77 -6.073 -11.477 11.451 1.00 0.00 H new ATOM 881 N GLY A 78 -1.529 -14.397 9.865 1.00 0.00 N ATOM 882 CA GLY A 78 -0.883 -15.561 9.266 1.00 0.00 C ATOM 883 C GLY A 78 -1.304 -15.797 7.823 1.00 0.00 C ATOM 884 O GLY A 78 -1.234 -16.922 7.323 1.00 0.00 O ATOM 0 H GLY A 78 -0.899 -13.610 10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.198 -15.431 9.307 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.120 -16.446 9.857 1.00 0.00 H new ATOM 888 N SER A 79 -1.787 -14.753 7.163 1.00 0.00 N ATOM 889 CA SER A 79 -2.386 -14.823 5.837 1.00 0.00 C ATOM 890 C SER A 79 -1.484 -14.099 4.820 1.00 0.00 C ATOM 891 O SER A 79 -0.769 -13.169 5.205 1.00 0.00 O ATOM 892 CB SER A 79 -3.778 -14.192 5.922 1.00 0.00 C ATOM 893 OG SER A 79 -4.561 -14.775 6.962 1.00 0.00 O ATOM 0 H SER A 79 -1.773 -13.808 7.546 1.00 0.00 H new ATOM 0 HA SER A 79 -2.483 -15.854 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.681 -13.120 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.291 -14.314 4.968 1.00 0.00 H new ATOM 0 HG SER A 79 -5.442 -14.346 6.988 1.00 0.00 H new ATOM 899 N PRO A 80 -1.499 -14.502 3.534 1.00 0.00 N ATOM 900 CA PRO A 80 -0.726 -13.846 2.488 1.00 0.00 C ATOM 901 C PRO A 80 -1.260 -12.447 2.190 1.00 0.00 C ATOM 902 O PRO A 80 -2.382 -12.090 2.551 1.00 0.00 O ATOM 903 CB PRO A 80 -0.840 -14.737 1.243 1.00 0.00 C ATOM 904 CG PRO A 80 -2.113 -15.539 1.476 1.00 0.00 C ATOM 905 CD PRO A 80 -2.206 -15.650 2.996 1.00 0.00 C ATOM 0 HA PRO A 80 0.311 -13.722 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.905 -14.142 0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 80 0.028 -15.388 1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.985 -15.035 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.058 -16.521 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.246 -15.654 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.759 -16.581 3.346 1.00 0.00 H new ATOM 913 N ILE A 81 -0.474 -11.706 1.414 1.00 0.00 N ATOM 914 CA ILE A 81 -0.826 -10.411 0.845 1.00 0.00 C ATOM 915 C ILE A 81 -1.005 -10.532 -0.672 1.00 0.00 C ATOM 916 O ILE A 81 -0.780 -9.575 -1.413 1.00 0.00 O ATOM 917 CB ILE A 81 0.177 -9.335 1.305 1.00 0.00 C ATOM 918 CG1 ILE A 81 1.633 -9.635 0.874 1.00 0.00 C ATOM 919 CG2 ILE A 81 0.039 -9.175 2.828 1.00 0.00 C ATOM 920 CD1 ILE A 81 2.647 -8.614 1.400 1.00 0.00 C ATOM 0 H ILE A 81 0.466 -12.006 1.154 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.793 -10.075 1.220 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.062 -8.393 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.911 -10.628 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.684 -9.659 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.740 -8.418 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.978 -8.869 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.258 -10.125 3.315 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.646 -8.886 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.393 -7.623 1.025 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.624 -8.607 2.490 1.00 0.00 H new ATOM 932 N ASP A 82 -1.469 -11.704 -1.119 1.00 0.00 N ATOM 933 CA ASP A 82 -1.860 -11.917 -2.510 1.00 0.00 C ATOM 934 C ASP A 82 -3.045 -10.989 -2.800 1.00 0.00 C ATOM 935 O ASP A 82 -3.853 -10.722 -1.910 1.00 0.00 O ATOM 936 CB ASP A 82 -2.276 -13.392 -2.710 1.00 0.00 C ATOM 937 CG ASP A 82 -3.544 -13.566 -3.547 1.00 0.00 C ATOM 938 OD1 ASP A 82 -3.444 -13.495 -4.793 1.00 0.00 O ATOM 939 OD2 ASP A 82 -4.634 -13.762 -2.962 1.00 0.00 O ATOM 0 H ASP A 82 -1.582 -12.527 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.033 -11.700 -3.186 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.458 -13.929 -3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.430 -13.852 -1.734 1.00 0.00 H new ATOM 944 N LEU A 83 -3.154 -10.520 -4.048 1.00 0.00 N ATOM 945 CA LEU A 83 -4.164 -9.570 -4.509 1.00 0.00 C ATOM 946 C LEU A 83 -5.547 -9.946 -4.008 1.00 0.00 C ATOM 947 O LEU A 83 -6.239 -9.107 -3.432 1.00 0.00 O ATOM 948 CB LEU A 83 -4.156 -9.531 -6.047 1.00 0.00 C ATOM 949 CG LEU A 83 -4.831 -8.326 -6.732 1.00 0.00 C ATOM 950 CD1 LEU A 83 -6.277 -8.001 -6.361 1.00 0.00 C ATOM 951 CD2 LEU A 83 -4.003 -7.064 -6.514 1.00 0.00 C ATOM 0 H LEU A 83 -2.515 -10.805 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.922 -8.585 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.118 -9.569 -6.379 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.640 -10.438 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 83 -4.874 -8.650 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.610 -7.129 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.914 -8.853 -6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.340 -7.789 -5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.490 -6.220 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.918 -6.865 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.008 -7.204 -6.938 1.00 0.00 H new ATOM 963 N ILE A 84 -5.975 -11.184 -4.248 1.00 0.00 N ATOM 964 CA ILE A 84 -7.318 -11.598 -3.953 1.00 0.00 C ATOM 965 C ILE A 84 -7.505 -11.599 -2.438 1.00 0.00 C ATOM 966 O ILE A 84 -8.491 -11.065 -1.952 1.00 0.00 O ATOM 967 CB ILE A 84 -7.557 -12.974 -4.591 1.00 0.00 C ATOM 968 CG1 ILE A 84 -6.843 -13.203 -5.946 1.00 0.00 C ATOM 969 CG2 ILE A 84 -9.070 -13.198 -4.713 1.00 0.00 C ATOM 970 CD1 ILE A 84 -7.253 -12.284 -7.101 1.00 0.00 C ATOM 0 H ILE A 84 -5.391 -11.916 -4.652 1.00 0.00 H new ATOM 0 HA ILE A 84 -8.057 -10.914 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.104 -13.713 -3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.770 -13.094 -5.788 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.017 -14.234 -6.253 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -9.258 -14.172 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.524 -13.164 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -9.504 -12.418 -5.338 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.683 -12.544 -7.993 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.317 -12.405 -7.302 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.051 -11.248 -6.831 1.00 0.00 H new ATOM 982 N THR A 85 -6.553 -12.147 -1.691 1.00 0.00 N ATOM 983 CA THR A 85 -6.561 -12.205 -0.240 1.00 0.00 C ATOM 984 C THR A 85 -6.701 -10.801 0.360 1.00 0.00 C ATOM 985 O THR A 85 -7.555 -10.559 1.215 1.00 0.00 O ATOM 986 CB THR A 85 -5.301 -12.937 0.255 1.00 0.00 C ATOM 987 OG1 THR A 85 -5.142 -14.180 -0.413 1.00 0.00 O ATOM 988 CG2 THR A 85 -5.416 -13.227 1.750 1.00 0.00 C ATOM 0 H THR A 85 -5.724 -12.579 -2.099 1.00 0.00 H new ATOM 0 HA THR A 85 -7.428 -12.773 0.098 1.00 0.00 H new ATOM 0 HB THR A 85 -4.446 -12.292 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.586 -14.054 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.519 -13.745 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.522 -12.289 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.289 -13.854 1.933 1.00 0.00 H new ATOM 996 N LEU A 86 -5.885 -9.872 -0.123 1.00 0.00 N ATOM 997 CA LEU A 86 -5.872 -8.466 0.249 1.00 0.00 C ATOM 998 C LEU A 86 -7.228 -7.835 0.007 1.00 0.00 C ATOM 999 O LEU A 86 -7.813 -7.240 0.911 1.00 0.00 O ATOM 1000 CB LEU A 86 -4.790 -7.763 -0.583 1.00 0.00 C ATOM 1001 CG LEU A 86 -4.723 -6.238 -0.398 1.00 0.00 C ATOM 1002 CD1 LEU A 86 -4.376 -5.854 1.044 1.00 0.00 C ATOM 1003 CD2 LEU A 86 -3.680 -5.686 -1.371 1.00 0.00 C ATOM 0 H LEU A 86 -5.177 -10.093 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.651 -8.364 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.820 -8.189 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.964 -7.980 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.702 -5.807 -0.607 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.339 -4.768 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.137 -6.247 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.405 -6.273 1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.614 -4.604 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.709 -6.133 -1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.972 -5.927 -2.393 1.00 0.00 H new ATOM 1015 N ALA A 87 -7.707 -7.969 -1.226 1.00 0.00 N ATOM 1016 CA ALA A 87 -8.981 -7.436 -1.664 1.00 0.00 C ATOM 1017 C ALA A 87 -10.100 -7.965 -0.778 1.00 0.00 C ATOM 1018 O ALA A 87 -10.922 -7.191 -0.307 1.00 0.00 O ATOM 1019 CB ALA A 87 -9.232 -7.803 -3.127 1.00 0.00 C ATOM 0 H ALA A 87 -7.203 -8.464 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.958 -6.349 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.192 -7.397 -3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.439 -7.386 -3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.244 -8.888 -3.233 1.00 0.00 H new ATOM 1025 N GLU A 88 -10.119 -9.272 -0.541 1.00 0.00 N ATOM 1026 CA GLU A 88 -11.110 -9.957 0.265 1.00 0.00 C ATOM 1027 C GLU A 88 -11.031 -9.535 1.731 1.00 0.00 C ATOM 1028 O GLU A 88 -12.056 -9.547 2.409 1.00 0.00 O ATOM 1029 CB GLU A 88 -10.911 -11.475 0.122 1.00 0.00 C ATOM 1030 CG GLU A 88 -11.270 -12.027 -1.266 1.00 0.00 C ATOM 1031 CD GLU A 88 -12.737 -12.418 -1.382 1.00 0.00 C ATOM 1032 OE1 GLU A 88 -13.187 -13.305 -0.621 1.00 0.00 O ATOM 1033 OE2 GLU A 88 -13.421 -11.923 -2.309 1.00 0.00 O ATOM 0 H GLU A 88 -9.415 -9.904 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.103 -9.683 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.870 -11.716 0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.519 -11.982 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.037 -11.277 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.649 -12.897 -1.478 1.00 0.00 H new ATOM 1040 N SER A 89 -9.854 -9.188 2.257 1.00 0.00 N ATOM 1041 CA SER A 89 -9.714 -8.741 3.636 1.00 0.00 C ATOM 1042 C SER A 89 -10.233 -7.305 3.749 1.00 0.00 C ATOM 1043 O SER A 89 -11.040 -6.997 4.627 1.00 0.00 O ATOM 1044 CB SER A 89 -8.267 -8.922 4.109 1.00 0.00 C ATOM 1045 OG SER A 89 -8.134 -8.883 5.525 1.00 0.00 O ATOM 0 H SER A 89 -8.977 -9.210 1.737 1.00 0.00 H new ATOM 0 HA SER A 89 -10.319 -9.351 4.307 1.00 0.00 H new ATOM 0 HB2 SER A 89 -7.887 -9.875 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.647 -8.140 3.670 1.00 0.00 H new ATOM 0 HG SER A 89 -8.510 -8.044 5.866 1.00 0.00 H new ATOM 1051 N LEU A 90 -9.857 -6.447 2.796 1.00 0.00 N ATOM 1052 CA LEU A 90 -10.406 -5.104 2.673 1.00 0.00 C ATOM 1053 C LEU A 90 -11.927 -5.195 2.570 1.00 0.00 C ATOM 1054 O LEU A 90 -12.624 -4.439 3.240 1.00 0.00 O ATOM 1055 CB LEU A 90 -9.815 -4.375 1.451 1.00 0.00 C ATOM 1056 CG LEU A 90 -8.420 -3.766 1.676 1.00 0.00 C ATOM 1057 CD1 LEU A 90 -7.794 -3.419 0.325 1.00 0.00 C ATOM 1058 CD2 LEU A 90 -8.474 -2.498 2.539 1.00 0.00 C ATOM 0 H LEU A 90 -9.159 -6.671 2.087 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.138 -4.525 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.760 -5.077 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.499 -3.580 1.153 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.820 -4.507 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.806 -2.987 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.704 -4.323 -0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.426 -2.699 -0.195 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.466 -2.104 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.095 -1.749 2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.899 -2.739 3.513 1.00 0.00 H new ATOM 1070 N GLU A 91 -12.476 -6.087 1.743 1.00 0.00 N ATOM 1071 CA GLU A 91 -13.901 -6.279 1.616 1.00 0.00 C ATOM 1072 C GLU A 91 -14.553 -6.834 2.880 1.00 0.00 C ATOM 1073 O GLU A 91 -15.673 -6.424 3.179 1.00 0.00 O ATOM 1074 CB GLU A 91 -14.229 -7.162 0.399 1.00 0.00 C ATOM 1075 CG GLU A 91 -15.358 -6.471 -0.352 1.00 0.00 C ATOM 1076 CD GLU A 91 -15.933 -7.290 -1.504 1.00 0.00 C ATOM 1077 OE1 GLU A 91 -16.576 -8.330 -1.238 1.00 0.00 O ATOM 1078 OE2 GLU A 91 -15.847 -6.839 -2.668 1.00 0.00 O ATOM 0 H GLU A 91 -11.926 -6.699 1.140 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.328 -5.288 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.354 -7.280 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.529 -8.161 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.159 -6.240 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.992 -5.521 -0.743 1.00 0.00 H new ATOM 1085 N ARG A 92 -13.891 -7.696 3.662 1.00 0.00 N ATOM 1086 CA ARG A 92 -14.413 -8.093 4.972 1.00 0.00 C ATOM 1087 C ARG A 92 -14.650 -6.858 5.827 1.00 0.00 C ATOM 1088 O ARG A 92 -15.719 -6.752 6.432 1.00 0.00 O ATOM 1089 CB ARG A 92 -13.477 -9.078 5.693 1.00 0.00 C ATOM 1090 CG ARG A 92 -13.515 -10.518 5.164 1.00 0.00 C ATOM 1091 CD ARG A 92 -14.602 -11.405 5.785 1.00 0.00 C ATOM 1092 NE ARG A 92 -15.960 -11.032 5.360 1.00 0.00 N ATOM 1093 CZ ARG A 92 -16.510 -11.256 4.161 1.00 0.00 C ATOM 1094 NH1 ARG A 92 -15.844 -11.885 3.198 1.00 0.00 N ATOM 1095 NH2 ARG A 92 -17.740 -10.830 3.918 1.00 0.00 N ATOM 0 H ARG A 92 -13.001 -8.127 3.412 1.00 0.00 H new ATOM 0 HA ARG A 92 -15.359 -8.611 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.455 -8.706 5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.734 -9.090 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.663 -10.489 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.544 -10.981 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -14.415 -12.444 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.537 -11.343 6.871 1.00 0.00 H new ATOM 0 HE ARG A 92 -16.541 -10.554 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.891 -12.209 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.286 -12.044 2.292 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -18.261 -10.335 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -18.167 -10.997 3.007 1.00 0.00 H new ATOM 1109 N GLN A 93 -13.714 -5.912 5.834 1.00 0.00 N ATOM 1110 CA GLN A 93 -13.882 -4.645 6.535 1.00 0.00 C ATOM 1111 C GLN A 93 -14.786 -3.650 5.788 1.00 0.00 C ATOM 1112 O GLN A 93 -15.087 -2.580 6.319 1.00 0.00 O ATOM 1113 CB GLN A 93 -12.518 -4.002 6.800 1.00 0.00 C ATOM 1114 CG GLN A 93 -11.559 -4.899 7.595 1.00 0.00 C ATOM 1115 CD GLN A 93 -10.552 -4.096 8.420 1.00 0.00 C ATOM 1116 OE1 GLN A 93 -10.910 -3.141 9.109 1.00 0.00 O ATOM 1117 NE2 GLN A 93 -9.282 -4.447 8.400 1.00 0.00 N ATOM 0 H GLN A 93 -12.819 -6.004 5.354 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.378 -4.880 7.477 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.056 -3.745 5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -12.665 -3.069 7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -12.136 -5.543 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.022 -5.551 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.980 -5.238 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.601 -3.928 8.954 1.00 0.00 H new ATOM 1126 N GLY A 94 -15.212 -3.935 4.556 1.00 0.00 N ATOM 1127 CA GLY A 94 -15.920 -2.985 3.705 1.00 0.00 C ATOM 1128 C GLY A 94 -15.042 -1.809 3.258 1.00 0.00 C ATOM 1129 O GLY A 94 -15.567 -0.819 2.751 1.00 0.00 O ATOM 0 H GLY A 94 -15.072 -4.845 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -16.296 -3.505 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.787 -2.600 4.243 1.00 0.00 H new ATOM 1133 N GLN A 95 -13.715 -1.904 3.383 1.00 0.00 N ATOM 1134 CA GLN A 95 -12.775 -0.845 3.015 1.00 0.00 C ATOM 1135 C GLN A 95 -12.267 -1.030 1.582 1.00 0.00 C ATOM 1136 O GLN A 95 -11.541 -0.176 1.085 1.00 0.00 O ATOM 1137 CB GLN A 95 -11.584 -0.789 3.997 1.00 0.00 C ATOM 1138 CG GLN A 95 -11.797 0.191 5.166 1.00 0.00 C ATOM 1139 CD GLN A 95 -12.005 -0.496 6.507 1.00 0.00 C ATOM 1140 OE1 GLN A 95 -13.093 -0.439 7.075 1.00 0.00 O ATOM 1141 NE2 GLN A 95 -10.979 -1.129 7.049 1.00 0.00 N ATOM 0 H GLN A 95 -13.256 -2.737 3.751 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.314 0.101 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.407 -1.787 4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.686 -0.501 3.451 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.934 0.853 5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.662 0.818 4.950 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -10.085 -1.164 6.560 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.081 -1.583 7.957 1.00 0.00 H new ATOM 1150 N LEU A 96 -12.672 -2.087 0.876 1.00 0.00 N ATOM 1151 CA LEU A 96 -12.377 -2.232 -0.549 1.00 0.00 C ATOM 1152 C LEU A 96 -12.918 -1.029 -1.336 1.00 0.00 C ATOM 1153 O LEU A 96 -12.260 -0.532 -2.248 1.00 0.00 O ATOM 1154 CB LEU A 96 -12.954 -3.564 -1.034 1.00 0.00 C ATOM 1155 CG LEU A 96 -12.753 -3.795 -2.546 1.00 0.00 C ATOM 1156 CD1 LEU A 96 -12.237 -5.208 -2.822 1.00 0.00 C ATOM 1157 CD2 LEU A 96 -14.073 -3.570 -3.291 1.00 0.00 C ATOM 0 H LEU A 96 -13.208 -2.859 1.272 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.300 -2.246 -0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.485 -4.379 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.019 -3.596 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 96 -12.009 -3.082 -2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -12.104 -5.344 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.282 -5.352 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.957 -5.937 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.922 -3.735 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.824 -4.267 -2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.414 -2.548 -3.127 1.00 0.00 H new ATOM 1169 N ASP A 97 -14.094 -0.525 -0.958 1.00 0.00 N ATOM 1170 CA ASP A 97 -14.652 0.714 -1.499 1.00 0.00 C ATOM 1171 C ASP A 97 -13.712 1.883 -1.196 1.00 0.00 C ATOM 1172 O ASP A 97 -13.312 2.617 -2.102 1.00 0.00 O ATOM 1173 CB ASP A 97 -16.038 0.940 -0.882 1.00 0.00 C ATOM 1174 CG ASP A 97 -16.801 2.110 -1.508 1.00 0.00 C ATOM 1175 OD1 ASP A 97 -16.243 3.224 -1.623 1.00 0.00 O ATOM 1176 OD2 ASP A 97 -17.974 1.891 -1.881 1.00 0.00 O ATOM 0 H ASP A 97 -14.691 -0.970 -0.261 1.00 0.00 H new ATOM 0 HA ASP A 97 -14.755 0.642 -2.582 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.629 0.031 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.926 1.120 0.187 1.00 0.00 H new ATOM 1181 N SER A 98 -13.291 2.003 0.065 1.00 0.00 N ATOM 1182 CA SER A 98 -12.390 3.014 0.609 1.00 0.00 C ATOM 1183 C SER A 98 -10.980 3.026 0.000 1.00 0.00 C ATOM 1184 O SER A 98 -10.183 3.898 0.366 1.00 0.00 O ATOM 1185 CB SER A 98 -12.307 2.815 2.127 1.00 0.00 C ATOM 1186 OG SER A 98 -13.598 2.668 2.690 1.00 0.00 O ATOM 0 H SER A 98 -13.595 1.346 0.783 1.00 0.00 H new ATOM 0 HA SER A 98 -12.812 3.984 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.707 1.933 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 98 -11.803 3.667 2.582 1.00 0.00 H new ATOM 0 HG SER A 98 -13.520 2.541 3.659 1.00 0.00 H new ATOM 1192 N VAL A 99 -10.653 2.109 -0.918 1.00 0.00 N ATOM 1193 CA VAL A 99 -9.411 2.144 -1.679 1.00 0.00 C ATOM 1194 C VAL A 99 -9.648 2.305 -3.186 1.00 0.00 C ATOM 1195 O VAL A 99 -8.684 2.493 -3.930 1.00 0.00 O ATOM 1196 CB VAL A 99 -8.503 0.953 -1.313 1.00 0.00 C ATOM 1197 CG1 VAL A 99 -8.336 0.834 0.211 1.00 0.00 C ATOM 1198 CG2 VAL A 99 -8.972 -0.392 -1.874 1.00 0.00 C ATOM 0 H VAL A 99 -11.252 1.317 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 99 -8.867 3.043 -1.389 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.546 1.176 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.691 -0.014 0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.887 1.748 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.312 0.684 0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.278 -1.175 -1.570 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.966 -0.620 -1.490 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.006 -0.340 -2.962 1.00 0.00 H new ATOM 1208 N GLY A 100 -10.901 2.295 -3.651 1.00 0.00 N ATOM 1209 CA GLY A 100 -11.252 2.514 -5.049 1.00 0.00 C ATOM 1210 C GLY A 100 -11.798 1.274 -5.753 1.00 0.00 C ATOM 1211 O GLY A 100 -11.964 1.314 -6.975 1.00 0.00 O ATOM 0 H GLY A 100 -11.711 2.131 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.996 3.309 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.369 2.864 -5.584 1.00 0.00 H new ATOM 1215 N GLY A 101 -12.108 0.198 -5.027 1.00 0.00 N ATOM 1216 CA GLY A 101 -12.632 -1.044 -5.578 1.00 0.00 C ATOM 1217 C GLY A 101 -11.516 -2.009 -5.979 1.00 0.00 C ATOM 1218 O GLY A 101 -10.334 -1.656 -5.977 1.00 0.00 O ATOM 0 H GLY A 101 -11.997 0.170 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -13.278 -1.523 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.250 -0.822 -6.448 1.00 0.00 H new ATOM 1222 N PHE A 102 -11.900 -3.237 -6.349 1.00 0.00 N ATOM 1223 CA PHE A 102 -10.965 -4.298 -6.723 1.00 0.00 C ATOM 1224 C PHE A 102 -10.079 -3.855 -7.891 1.00 0.00 C ATOM 1225 O PHE A 102 -8.882 -4.142 -7.911 1.00 0.00 O ATOM 1226 CB PHE A 102 -11.754 -5.573 -7.069 1.00 0.00 C ATOM 1227 CG PHE A 102 -10.903 -6.812 -7.267 1.00 0.00 C ATOM 1228 CD1 PHE A 102 -10.230 -7.027 -8.485 1.00 0.00 C ATOM 1229 CD2 PHE A 102 -10.786 -7.759 -6.233 1.00 0.00 C ATOM 1230 CE1 PHE A 102 -9.413 -8.156 -8.648 1.00 0.00 C ATOM 1231 CE2 PHE A 102 -9.959 -8.886 -6.392 1.00 0.00 C ATOM 1232 CZ PHE A 102 -9.263 -9.076 -7.598 1.00 0.00 C ATOM 0 H PHE A 102 -12.878 -3.522 -6.397 1.00 0.00 H new ATOM 0 HA PHE A 102 -10.306 -4.512 -5.882 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.473 -5.766 -6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -12.327 -5.393 -7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -10.343 -6.322 -9.295 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -11.334 -7.620 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.898 -8.318 -9.584 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -9.859 -9.603 -5.590 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.613 -9.930 -7.717 1.00 0.00 H new ATOM 1242 N ALA A 103 -10.652 -3.120 -8.847 1.00 0.00 N ATOM 1243 CA ALA A 103 -9.939 -2.626 -10.010 1.00 0.00 C ATOM 1244 C ALA A 103 -8.724 -1.781 -9.629 1.00 0.00 C ATOM 1245 O ALA A 103 -7.691 -1.924 -10.287 1.00 0.00 O ATOM 1246 CB ALA A 103 -10.894 -1.830 -10.904 1.00 0.00 C ATOM 0 H ALA A 103 -11.636 -2.852 -8.828 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.562 -3.488 -10.560 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.354 -1.461 -11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -11.711 -2.475 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -11.298 -0.987 -10.344 1.00 0.00 H new ATOM 1252 N TYR A 104 -8.806 -0.950 -8.579 1.00 0.00 N ATOM 1253 CA TYR A 104 -7.665 -0.136 -8.175 1.00 0.00 C ATOM 1254 C TYR A 104 -6.561 -1.011 -7.583 1.00 0.00 C ATOM 1255 O TYR A 104 -5.386 -0.765 -7.830 1.00 0.00 O ATOM 1256 CB TYR A 104 -8.055 0.985 -7.201 1.00 0.00 C ATOM 1257 CG TYR A 104 -6.954 2.027 -7.042 1.00 0.00 C ATOM 1258 CD1 TYR A 104 -6.547 2.776 -8.162 1.00 0.00 C ATOM 1259 CD2 TYR A 104 -6.311 2.236 -5.806 1.00 0.00 C ATOM 1260 CE1 TYR A 104 -5.527 3.734 -8.056 1.00 0.00 C ATOM 1261 CE2 TYR A 104 -5.312 3.222 -5.680 1.00 0.00 C ATOM 1262 CZ TYR A 104 -4.920 3.977 -6.808 1.00 0.00 C ATOM 1263 OH TYR A 104 -3.943 4.920 -6.714 1.00 0.00 O ATOM 0 H TYR A 104 -9.641 -0.829 -8.006 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.286 0.348 -9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -8.963 1.472 -7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.285 0.553 -6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.026 2.611 -9.116 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.585 1.637 -4.950 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -5.208 4.284 -8.929 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -4.846 3.400 -4.722 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.625 4.970 -5.788 1.00 0.00 H new ATOM 1273 N LEU A 105 -6.912 -2.067 -6.843 1.00 0.00 N ATOM 1274 CA LEU A 105 -5.921 -3.014 -6.336 1.00 0.00 C ATOM 1275 C LEU A 105 -5.191 -3.665 -7.508 1.00 0.00 C ATOM 1276 O LEU A 105 -3.964 -3.758 -7.491 1.00 0.00 O ATOM 1277 CB LEU A 105 -6.565 -4.080 -5.433 1.00 0.00 C ATOM 1278 CG LEU A 105 -7.193 -3.504 -4.151 1.00 0.00 C ATOM 1279 CD1 LEU A 105 -7.998 -4.583 -3.430 1.00 0.00 C ATOM 1280 CD2 LEU A 105 -6.118 -2.970 -3.200 1.00 0.00 C ATOM 0 H LEU A 105 -7.874 -2.285 -6.583 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.204 -2.467 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.333 -4.607 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.809 -4.816 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.847 -2.682 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.438 -4.165 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -8.791 -4.944 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.341 -5.411 -3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.592 -2.570 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.443 -3.779 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.553 -2.180 -3.696 1.00 0.00 H new ATOM 1292 N ALA A 106 -5.929 -4.101 -8.532 1.00 0.00 N ATOM 1293 CA ALA A 106 -5.336 -4.736 -9.698 1.00 0.00 C ATOM 1294 C ALA A 106 -4.433 -3.769 -10.474 1.00 0.00 C ATOM 1295 O ALA A 106 -3.329 -4.142 -10.870 1.00 0.00 O ATOM 1296 CB ALA A 106 -6.445 -5.306 -10.575 1.00 0.00 C ATOM 0 H ALA A 106 -6.945 -4.022 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.693 -5.552 -9.369 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.007 -5.784 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.015 -6.042 -10.008 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.107 -4.501 -10.894 1.00 0.00 H new ATOM 1302 N GLU A 107 -4.883 -2.525 -10.645 1.00 0.00 N ATOM 1303 CA GLU A 107 -4.141 -1.421 -11.242 1.00 0.00 C ATOM 1304 C GLU A 107 -2.811 -1.264 -10.506 1.00 0.00 C ATOM 1305 O GLU A 107 -1.762 -1.322 -11.149 1.00 0.00 O ATOM 1306 CB GLU A 107 -5.022 -0.157 -11.177 1.00 0.00 C ATOM 1307 CG GLU A 107 -4.332 1.219 -11.229 1.00 0.00 C ATOM 1308 CD GLU A 107 -3.949 1.718 -12.621 1.00 0.00 C ATOM 1309 OE1 GLU A 107 -3.398 0.964 -13.456 1.00 0.00 O ATOM 1310 OE2 GLU A 107 -4.138 2.930 -12.881 1.00 0.00 O ATOM 0 H GLU A 107 -5.822 -2.250 -10.356 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.905 -1.607 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.732 -0.204 -12.003 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -5.602 -0.203 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -4.993 1.954 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.430 1.176 -10.618 1.00 0.00 H new ATOM 1317 N LEU A 108 -2.843 -1.112 -9.177 1.00 0.00 N ATOM 1318 CA LEU A 108 -1.656 -0.963 -8.340 1.00 0.00 C ATOM 1319 C LEU A 108 -0.710 -2.136 -8.545 1.00 0.00 C ATOM 1320 O LEU A 108 0.477 -1.919 -8.752 1.00 0.00 O ATOM 1321 CB LEU A 108 -2.034 -0.885 -6.851 1.00 0.00 C ATOM 1322 CG LEU A 108 -2.723 0.419 -6.422 1.00 0.00 C ATOM 1323 CD1 LEU A 108 -3.252 0.250 -4.998 1.00 0.00 C ATOM 1324 CD2 LEU A 108 -1.761 1.599 -6.445 1.00 0.00 C ATOM 0 H LEU A 108 -3.714 -1.089 -8.647 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.164 -0.036 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.693 -1.721 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.130 -1.013 -6.255 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.532 0.622 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.744 1.170 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.967 -0.572 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.423 0.032 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.286 2.503 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.934 1.408 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.373 1.733 -7.455 1.00 0.00 H new ATOM 1336 N SER A 109 -1.230 -3.365 -8.524 1.00 0.00 N ATOM 1337 CA SER A 109 -0.461 -4.591 -8.691 1.00 0.00 C ATOM 1338 C SER A 109 0.347 -4.533 -9.987 1.00 0.00 C ATOM 1339 O SER A 109 1.528 -4.877 -10.013 1.00 0.00 O ATOM 1340 CB SER A 109 -1.436 -5.778 -8.653 1.00 0.00 C ATOM 1341 OG SER A 109 -0.800 -6.996 -8.319 1.00 0.00 O ATOM 0 H SER A 109 -2.226 -3.535 -8.386 1.00 0.00 H new ATOM 0 HA SER A 109 0.261 -4.713 -7.884 1.00 0.00 H new ATOM 0 HB2 SER A 109 -2.223 -5.573 -7.928 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.917 -5.879 -9.626 1.00 0.00 H new ATOM 0 HG SER A 109 -1.422 -7.740 -8.461 1.00 0.00 H new ATOM 1347 N LYS A 110 -0.270 -4.084 -11.080 1.00 0.00 N ATOM 1348 CA LYS A 110 0.413 -3.989 -12.367 1.00 0.00 C ATOM 1349 C LYS A 110 1.193 -2.676 -12.509 1.00 0.00 C ATOM 1350 O LYS A 110 1.886 -2.504 -13.511 1.00 0.00 O ATOM 1351 CB LYS A 110 -0.595 -4.226 -13.504 1.00 0.00 C ATOM 1352 CG LYS A 110 -0.685 -5.710 -13.919 1.00 0.00 C ATOM 1353 CD LYS A 110 -1.378 -6.630 -12.899 1.00 0.00 C ATOM 1354 CE LYS A 110 -2.889 -6.390 -12.853 1.00 0.00 C ATOM 1355 NZ LYS A 110 -3.587 -7.033 -13.980 1.00 0.00 N ATOM 0 H LYS A 110 -1.244 -3.780 -11.098 1.00 0.00 H new ATOM 0 HA LYS A 110 1.169 -4.772 -12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.580 -3.880 -13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.309 -3.628 -14.369 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.220 -5.775 -14.866 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.323 -6.084 -14.096 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.183 -7.671 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.953 -6.462 -11.910 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.288 -6.773 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.086 -5.318 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.607 -6.845 -13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.226 -6.649 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.421 -8.059 -13.951 1.00 0.00 H new ATOM 1369 N ASN A 111 1.146 -1.765 -11.536 1.00 0.00 N ATOM 1370 CA ASN A 111 1.867 -0.490 -11.547 1.00 0.00 C ATOM 1371 C ASN A 111 3.276 -0.616 -10.957 1.00 0.00 C ATOM 1372 O ASN A 111 3.886 0.371 -10.533 1.00 0.00 O ATOM 1373 CB ASN A 111 1.031 0.590 -10.844 1.00 0.00 C ATOM 1374 CG ASN A 111 1.546 1.990 -11.135 1.00 0.00 C ATOM 1375 OD1 ASN A 111 1.936 2.733 -10.116 1.00 0.00 O flip ATOM 1376 ND2 ASN A 111 1.571 2.431 -12.283 1.00 0.00 N flip ATOM 0 H ASN A 111 0.588 -1.898 -10.692 1.00 0.00 H new ATOM 0 HA ASN A 111 2.010 -0.186 -12.584 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -0.007 0.512 -11.167 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.044 0.415 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.267 1.846 -13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.896 3.382 -12.457 1.00 0.00 H new ATOM 1383 N THR A 112 3.836 -1.820 -10.978 1.00 0.00 N ATOM 1384 CA THR A 112 5.204 -2.103 -10.568 1.00 0.00 C ATOM 1385 C THR A 112 5.854 -2.983 -11.641 1.00 0.00 C ATOM 1386 O THR A 112 5.185 -3.879 -12.174 1.00 0.00 O ATOM 1387 CB THR A 112 5.210 -2.783 -9.187 1.00 0.00 C ATOM 1388 OG1 THR A 112 4.371 -2.081 -8.301 1.00 0.00 O ATOM 1389 CG2 THR A 112 6.612 -2.842 -8.568 1.00 0.00 C ATOM 0 H THR A 112 3.334 -2.651 -11.291 1.00 0.00 H new ATOM 0 HA THR A 112 5.778 -1.181 -10.473 1.00 0.00 H new ATOM 0 HB THR A 112 4.855 -3.802 -9.340 1.00 0.00 H new ATOM 0 HG1 THR A 112 4.804 -2.014 -7.424 1.00 0.00 H new ATOM 0 HG21 THR A 112 6.560 -3.331 -7.595 1.00 0.00 H new ATOM 0 HG22 THR A 112 7.275 -3.407 -9.223 1.00 0.00 H new ATOM 0 HG23 THR A 112 6.998 -1.830 -8.445 1.00 0.00 H new ATOM 1397 N PRO A 113 7.148 -2.783 -11.948 1.00 0.00 N ATOM 1398 CA PRO A 113 7.912 -3.682 -12.798 1.00 0.00 C ATOM 1399 C PRO A 113 8.226 -4.971 -12.035 1.00 0.00 C ATOM 1400 O PRO A 113 9.341 -5.148 -11.563 1.00 0.00 O ATOM 1401 CB PRO A 113 9.159 -2.886 -13.213 1.00 0.00 C ATOM 1402 CG PRO A 113 9.393 -1.963 -12.020 1.00 0.00 C ATOM 1403 CD PRO A 113 7.974 -1.646 -11.557 1.00 0.00 C ATOM 0 HA PRO A 113 7.373 -4.004 -13.689 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.013 -3.539 -13.391 1.00 0.00 H new ATOM 0 HB3 PRO A 113 8.991 -2.323 -14.131 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.974 -2.452 -11.238 1.00 0.00 H new ATOM 0 HG3 PRO A 113 9.936 -1.062 -12.305 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.942 -1.496 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.612 -0.727 -12.017 1.00 0.00 H new ATOM 1411 N SER A 114 7.236 -5.856 -11.875 1.00 0.00 N ATOM 1412 CA SER A 114 7.368 -7.169 -11.237 1.00 0.00 C ATOM 1413 C SER A 114 8.252 -7.131 -9.972 1.00 0.00 C ATOM 1414 O SER A 114 9.283 -7.800 -9.889 1.00 0.00 O ATOM 1415 CB SER A 114 7.740 -8.247 -12.275 1.00 0.00 C ATOM 1416 OG SER A 114 8.457 -7.747 -13.395 1.00 0.00 O ATOM 0 H SER A 114 6.287 -5.670 -12.198 1.00 0.00 H new ATOM 0 HA SER A 114 6.394 -7.467 -10.848 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.339 -9.016 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.828 -8.729 -12.626 1.00 0.00 H new ATOM 0 HG SER A 114 8.660 -8.484 -14.009 1.00 0.00 H new ATOM 1422 N ALA A 115 7.855 -6.304 -8.994 1.00 0.00 N ATOM 1423 CA ALA A 115 8.529 -6.018 -7.720 1.00 0.00 C ATOM 1424 C ALA A 115 9.994 -5.553 -7.815 1.00 0.00 C ATOM 1425 O ALA A 115 10.625 -5.354 -6.776 1.00 0.00 O ATOM 1426 CB ALA A 115 8.370 -7.194 -6.747 1.00 0.00 C ATOM 0 H ALA A 115 6.986 -5.777 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 115 8.012 -5.142 -7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 115 8.876 -6.962 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 115 7.311 -7.366 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.810 -8.090 -7.185 1.00 0.00 H new ATOM 1432 N ALA A 116 10.539 -5.328 -9.013 1.00 0.00 N ATOM 1433 CA ALA A 116 11.869 -4.780 -9.170 1.00 0.00 C ATOM 1434 C ALA A 116 11.935 -3.426 -8.477 1.00 0.00 C ATOM 1435 O ALA A 116 11.050 -2.581 -8.648 1.00 0.00 O ATOM 1436 CB ALA A 116 12.249 -4.655 -10.647 1.00 0.00 C ATOM 0 H ALA A 116 10.064 -5.523 -9.894 1.00 0.00 H new ATOM 0 HA ALA A 116 12.588 -5.458 -8.710 1.00 0.00 H new ATOM 0 HB1 ALA A 116 13.254 -4.240 -10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 116 12.223 -5.640 -11.114 1.00 0.00 H new ATOM 0 HB3 ALA A 116 11.542 -3.996 -11.150 1.00 0.00 H new ATOM 1442 N ASN A 117 13.015 -3.219 -7.722 1.00 0.00 N ATOM 1443 CA ASN A 117 13.381 -1.949 -7.105 1.00 0.00 C ATOM 1444 C ASN A 117 12.291 -1.443 -6.144 1.00 0.00 C ATOM 1445 O ASN A 117 12.227 -0.248 -5.854 1.00 0.00 O ATOM 1446 CB ASN A 117 13.812 -0.929 -8.187 1.00 0.00 C ATOM 1447 CG ASN A 117 15.090 -1.333 -8.922 1.00 0.00 C ATOM 1448 OD1 ASN A 117 15.229 -2.450 -9.424 1.00 0.00 O ATOM 1449 ND2 ASN A 117 16.064 -0.444 -9.016 1.00 0.00 N ATOM 0 H ASN A 117 13.683 -3.962 -7.517 1.00 0.00 H new ATOM 0 HA ASN A 117 14.253 -2.099 -6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.005 -0.815 -8.911 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.962 0.044 -7.720 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.928 -0.683 -9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.952 0.481 -8.602 1.00 0.00 H new ATOM 1456 N ILE A 118 11.444 -2.335 -5.618 1.00 0.00 N ATOM 1457 CA ILE A 118 10.413 -2.056 -4.621 1.00 0.00 C ATOM 1458 C ILE A 118 10.985 -1.387 -3.391 1.00 0.00 C ATOM 1459 O ILE A 118 10.483 -0.356 -2.960 1.00 0.00 O ATOM 1460 CB ILE A 118 9.693 -3.372 -4.271 1.00 0.00 C ATOM 1461 CG1 ILE A 118 8.394 -3.100 -3.484 1.00 0.00 C ATOM 1462 CG2 ILE A 118 10.566 -4.460 -3.624 1.00 0.00 C ATOM 1463 CD1 ILE A 118 7.705 -4.357 -2.944 1.00 0.00 C ATOM 0 H ILE A 118 11.463 -3.317 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 118 9.693 -1.352 -5.039 1.00 0.00 H new ATOM 0 HB ILE A 118 9.429 -3.813 -5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 118 8.622 -2.438 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 118 7.697 -2.568 -4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.958 -5.341 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 118 11.376 -4.727 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.984 -4.084 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.801 -4.073 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 118 7.442 -5.013 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.381 -4.881 -2.268 1.00 0.00 H new ATOM 1475 N SER A 119 12.041 -1.969 -2.847 1.00 0.00 N ATOM 1476 CA SER A 119 12.694 -1.428 -1.663 1.00 0.00 C ATOM 1477 C SER A 119 13.246 -0.030 -1.964 1.00 0.00 C ATOM 1478 O SER A 119 13.135 0.872 -1.138 1.00 0.00 O ATOM 1479 CB SER A 119 13.752 -2.403 -1.135 1.00 0.00 C ATOM 1480 OG SER A 119 14.152 -2.030 0.169 1.00 0.00 O ATOM 0 H SER A 119 12.468 -2.822 -3.208 1.00 0.00 H new ATOM 0 HA SER A 119 11.966 -1.312 -0.860 1.00 0.00 H new ATOM 0 HB2 SER A 119 13.350 -3.416 -1.124 1.00 0.00 H new ATOM 0 HB3 SER A 119 14.615 -2.410 -1.800 1.00 0.00 H new ATOM 0 HG SER A 119 14.582 -2.792 0.610 1.00 0.00 H new ATOM 1486 N ALA A 120 13.747 0.185 -3.183 1.00 0.00 N ATOM 1487 CA ALA A 120 14.250 1.487 -3.600 1.00 0.00 C ATOM 1488 C ALA A 120 13.112 2.501 -3.786 1.00 0.00 C ATOM 1489 O ALA A 120 13.342 3.691 -3.573 1.00 0.00 O ATOM 1490 CB ALA A 120 15.100 1.360 -4.869 1.00 0.00 C ATOM 0 H ALA A 120 13.813 -0.536 -3.901 1.00 0.00 H new ATOM 0 HA ALA A 120 14.889 1.867 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 120 15.465 2.344 -5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 120 15.947 0.702 -4.675 1.00 0.00 H new ATOM 0 HB3 ALA A 120 14.493 0.944 -5.673 1.00 0.00 H new ATOM 1496 N TYR A 121 11.895 2.070 -4.153 1.00 0.00 N ATOM 1497 CA TYR A 121 10.714 2.920 -4.129 1.00 0.00 C ATOM 1498 C TYR A 121 10.338 3.200 -2.670 1.00 0.00 C ATOM 1499 O TYR A 121 10.014 4.334 -2.334 1.00 0.00 O ATOM 1500 CB TYR A 121 9.529 2.274 -4.875 1.00 0.00 C ATOM 1501 CG TYR A 121 9.550 2.322 -6.394 1.00 0.00 C ATOM 1502 CD1 TYR A 121 9.551 3.565 -7.055 1.00 0.00 C ATOM 1503 CD2 TYR A 121 9.534 1.134 -7.154 1.00 0.00 C ATOM 1504 CE1 TYR A 121 9.570 3.622 -8.459 1.00 0.00 C ATOM 1505 CE2 TYR A 121 9.554 1.183 -8.561 1.00 0.00 C ATOM 1506 CZ TYR A 121 9.571 2.433 -9.220 1.00 0.00 C ATOM 1507 OH TYR A 121 9.641 2.517 -10.577 1.00 0.00 O ATOM 0 H TYR A 121 11.711 1.119 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 121 10.944 3.853 -4.643 1.00 0.00 H new ATOM 0 HB2 TYR A 121 9.469 1.229 -4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.613 2.757 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 121 9.537 4.479 -6.480 1.00 0.00 H new ATOM 0 HD2 TYR A 121 9.506 0.178 -6.652 1.00 0.00 H new ATOM 0 HE1 TYR A 121 9.584 4.580 -8.958 1.00 0.00 H new ATOM 0 HE2 TYR A 121 9.556 0.268 -9.135 1.00 0.00 H new ATOM 0 HH TYR A 121 9.633 1.616 -10.961 1.00 0.00 H new ATOM 1517 N ALA A 122 10.388 2.196 -1.793 1.00 0.00 N ATOM 1518 CA ALA A 122 10.037 2.356 -0.387 1.00 0.00 C ATOM 1519 C ALA A 122 10.980 3.316 0.341 1.00 0.00 C ATOM 1520 O ALA A 122 10.519 4.055 1.208 1.00 0.00 O ATOM 1521 CB ALA A 122 9.965 0.989 0.298 1.00 0.00 C ATOM 0 H ALA A 122 10.674 1.249 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 122 9.049 2.814 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.702 1.121 1.348 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.208 0.376 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.934 0.495 0.226 1.00 0.00 H new ATOM 1527 N ASP A 123 12.258 3.366 -0.046 1.00 0.00 N ATOM 1528 CA ASP A 123 13.207 4.383 0.410 1.00 0.00 C ATOM 1529 C ASP A 123 12.684 5.780 0.069 1.00 0.00 C ATOM 1530 O ASP A 123 12.743 6.678 0.907 1.00 0.00 O ATOM 1531 CB ASP A 123 14.588 4.205 -0.241 1.00 0.00 C ATOM 1532 CG ASP A 123 15.466 3.164 0.440 1.00 0.00 C ATOM 1533 OD1 ASP A 123 15.888 3.397 1.595 1.00 0.00 O ATOM 1534 OD2 ASP A 123 15.818 2.159 -0.216 1.00 0.00 O ATOM 0 H ASP A 123 12.667 2.692 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 123 13.310 4.268 1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.452 3.923 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.107 5.163 -0.234 1.00 0.00 H new ATOM 1539 N ILE A 124 12.144 5.974 -1.142 1.00 0.00 N ATOM 1540 CA ILE A 124 11.562 7.250 -1.553 1.00 0.00 C ATOM 1541 C ILE A 124 10.386 7.571 -0.629 1.00 0.00 C ATOM 1542 O ILE A 124 10.295 8.702 -0.163 1.00 0.00 O ATOM 1543 CB ILE A 124 11.155 7.264 -3.051 1.00 0.00 C ATOM 1544 CG1 ILE A 124 12.363 6.965 -3.964 1.00 0.00 C ATOM 1545 CG2 ILE A 124 10.562 8.624 -3.452 1.00 0.00 C ATOM 1546 CD1 ILE A 124 11.974 6.703 -5.423 1.00 0.00 C ATOM 0 H ILE A 124 12.100 5.250 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 124 12.317 8.031 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 124 10.403 6.486 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.055 7.807 -3.926 1.00 0.00 H new ATOM 0 HG13 ILE A 124 12.896 6.097 -3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 124 10.286 8.604 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 124 9.677 8.827 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.302 9.407 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 124 12.871 6.500 -6.008 1.00 0.00 H new ATOM 0 HD12 ILE A 124 11.306 5.843 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 124 11.468 7.579 -5.828 1.00 0.00 H new ATOM 1558 N VAL A 125 9.491 6.623 -0.343 1.00 0.00 N ATOM 1559 CA VAL A 125 8.347 6.883 0.534 1.00 0.00 C ATOM 1560 C VAL A 125 8.821 7.264 1.941 1.00 0.00 C ATOM 1561 O VAL A 125 8.313 8.236 2.498 1.00 0.00 O ATOM 1562 CB VAL A 125 7.394 5.681 0.572 1.00 0.00 C ATOM 1563 CG1 VAL A 125 6.146 5.986 1.417 1.00 0.00 C ATOM 1564 CG2 VAL A 125 6.937 5.269 -0.837 1.00 0.00 C ATOM 0 H VAL A 125 9.536 5.670 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 125 7.791 7.727 0.126 1.00 0.00 H new ATOM 0 HB VAL A 125 7.954 4.861 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.490 5.115 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 125 6.447 6.223 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.615 6.836 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 125 6.264 4.415 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 125 6.417 6.103 -1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 125 7.806 4.997 -1.436 1.00 0.00 H new ATOM 1574 N ARG A 126 9.805 6.551 2.507 1.00 0.00 N ATOM 1575 CA ARG A 126 10.407 6.940 3.784 1.00 0.00 C ATOM 1576 C ARG A 126 10.907 8.376 3.689 1.00 0.00 C ATOM 1577 O ARG A 126 10.612 9.174 4.572 1.00 0.00 O ATOM 1578 CB ARG A 126 11.541 5.975 4.165 1.00 0.00 C ATOM 1579 CG ARG A 126 12.172 6.254 5.542 1.00 0.00 C ATOM 1580 CD ARG A 126 11.289 5.872 6.742 1.00 0.00 C ATOM 1581 NE ARG A 126 10.613 6.990 7.415 1.00 0.00 N ATOM 1582 CZ ARG A 126 11.132 7.784 8.356 1.00 0.00 C ATOM 1583 NH1 ARG A 126 12.440 7.819 8.595 1.00 0.00 N ATOM 1584 NH2 ARG A 126 10.323 8.561 9.068 1.00 0.00 N ATOM 0 H ARG A 126 10.199 5.703 2.099 1.00 0.00 H new ATOM 0 HA ARG A 126 9.656 6.884 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.154 4.956 4.155 1.00 0.00 H new ATOM 0 HB3 ARG A 126 12.319 6.028 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.113 5.709 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.412 7.315 5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.532 5.165 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.907 5.351 7.474 1.00 0.00 H new ATOM 0 HE ARG A 126 9.650 7.179 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.073 7.230 8.054 1.00 0.00 H new ATOM 0 HH12 ARG A 126 12.810 8.435 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 126 9.318 8.547 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.707 9.172 9.789 1.00 0.00 H new ATOM 1598 N GLU A 127 11.602 8.735 2.609 1.00 0.00 N ATOM 1599 CA GLU A 127 12.059 10.097 2.379 1.00 0.00 C ATOM 1600 C GLU A 127 10.882 11.072 2.419 1.00 0.00 C ATOM 1601 O GLU A 127 10.958 12.106 3.075 1.00 0.00 O ATOM 1602 CB GLU A 127 12.776 10.199 1.026 1.00 0.00 C ATOM 1603 CG GLU A 127 13.746 11.378 0.967 1.00 0.00 C ATOM 1604 CD GLU A 127 15.095 11.043 1.600 1.00 0.00 C ATOM 1605 OE1 GLU A 127 15.166 10.624 2.775 1.00 0.00 O ATOM 1606 OE2 GLU A 127 16.129 11.228 0.920 1.00 0.00 O ATOM 0 H GLU A 127 11.862 8.083 1.869 1.00 0.00 H new ATOM 0 HA GLU A 127 12.760 10.361 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 127 13.321 9.274 0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 127 12.036 10.301 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 127 13.896 11.672 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 127 13.308 12.234 1.480 1.00 0.00 H new ATOM 1613 N ARG A 128 9.783 10.762 1.727 1.00 0.00 N ATOM 1614 CA ARG A 128 8.593 11.614 1.737 1.00 0.00 C ATOM 1615 C ARG A 128 8.031 11.766 3.150 1.00 0.00 C ATOM 1616 O ARG A 128 7.589 12.864 3.481 1.00 0.00 O ATOM 1617 CB ARG A 128 7.502 11.128 0.763 1.00 0.00 C ATOM 1618 CG ARG A 128 7.916 10.976 -0.714 1.00 0.00 C ATOM 1619 CD ARG A 128 8.671 12.189 -1.269 1.00 0.00 C ATOM 1620 NE ARG A 128 9.231 11.958 -2.607 1.00 0.00 N ATOM 1621 CZ ARG A 128 10.522 11.920 -2.951 1.00 0.00 C ATOM 1622 NH1 ARG A 128 11.476 11.898 -2.023 1.00 0.00 N ATOM 1623 NH2 ARG A 128 10.854 11.874 -4.234 1.00 0.00 N ATOM 0 H ARG A 128 9.693 9.925 1.151 1.00 0.00 H new ATOM 0 HA ARG A 128 8.916 12.594 1.386 1.00 0.00 H new ATOM 0 HB2 ARG A 128 7.135 10.164 1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.665 11.825 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 128 8.543 10.090 -0.817 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.024 10.807 -1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 128 7.995 13.043 -1.307 1.00 0.00 H new ATOM 0 HD3 ARG A 128 9.478 12.451 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 128 8.558 11.810 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 128 11.226 11.910 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.457 11.869 -2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 128 10.127 11.868 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.837 11.845 -4.506 1.00 0.00 H new ATOM 1637 N ALA A 129 8.071 10.731 3.989 1.00 0.00 N ATOM 1638 CA ALA A 129 7.643 10.815 5.381 1.00 0.00 C ATOM 1639 C ALA A 129 8.582 11.698 6.208 1.00 0.00 C ATOM 1640 O ALA A 129 8.117 12.493 7.023 1.00 0.00 O ATOM 1641 CB ALA A 129 7.567 9.416 5.985 1.00 0.00 C ATOM 0 H ALA A 129 8.404 9.806 3.718 1.00 0.00 H new ATOM 0 HA ALA A 129 6.655 11.274 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.247 9.485 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.851 8.816 5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 129 8.549 8.946 5.938 1.00 0.00 H new ATOM 1647 N VAL A 130 9.895 11.592 5.999 1.00 0.00 N ATOM 1648 CA VAL A 130 10.882 12.455 6.645 1.00 0.00 C ATOM 1649 C VAL A 130 10.637 13.910 6.225 1.00 0.00 C ATOM 1650 O VAL A 130 10.588 14.812 7.060 1.00 0.00 O ATOM 1651 CB VAL A 130 12.306 11.951 6.323 1.00 0.00 C ATOM 1652 CG1 VAL A 130 13.372 12.900 6.881 1.00 0.00 C ATOM 1653 CG2 VAL A 130 12.542 10.556 6.926 1.00 0.00 C ATOM 0 H VAL A 130 10.305 10.900 5.372 1.00 0.00 H new ATOM 0 HA VAL A 130 10.780 12.418 7.730 1.00 0.00 H new ATOM 0 HB VAL A 130 12.388 11.908 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 130 14.363 12.517 6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.246 13.889 6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 130 13.266 12.970 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 130 13.551 10.222 6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 130 12.423 10.603 8.008 1.00 0.00 H new ATOM 0 HG23 VAL A 130 11.819 9.853 6.511 1.00 0.00 H new ATOM 1663 N VAL A 131 10.412 14.152 4.937 1.00 0.00 N ATOM 1664 CA VAL A 131 10.065 15.475 4.448 1.00 0.00 C ATOM 1665 C VAL A 131 8.693 15.892 4.984 1.00 0.00 C ATOM 1666 O VAL A 131 8.470 17.078 5.173 1.00 0.00 O ATOM 1667 CB VAL A 131 10.156 15.510 2.913 1.00 0.00 C ATOM 1668 CG1 VAL A 131 9.729 16.870 2.340 1.00 0.00 C ATOM 1669 CG2 VAL A 131 11.595 15.250 2.437 1.00 0.00 C ATOM 0 H VAL A 131 10.466 13.439 4.210 1.00 0.00 H new ATOM 0 HA VAL A 131 10.779 16.210 4.820 1.00 0.00 H new ATOM 0 HB VAL A 131 9.483 14.730 2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.809 16.848 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 131 8.697 17.076 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 131 10.377 17.652 2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 131 11.629 15.281 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 131 12.256 16.016 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 131 11.921 14.269 2.783 1.00 0.00 H new ATOM 1679 N ARG A 132 7.763 14.980 5.280 1.00 0.00 N ATOM 1680 CA ARG A 132 6.459 15.362 5.819 1.00 0.00 C ATOM 1681 C ARG A 132 6.609 16.092 7.140 1.00 0.00 C ATOM 1682 O ARG A 132 5.898 17.071 7.368 1.00 0.00 O ATOM 1683 CB ARG A 132 5.530 14.135 5.909 1.00 0.00 C ATOM 1684 CG ARG A 132 4.102 14.466 6.353 1.00 0.00 C ATOM 1685 CD ARG A 132 3.937 14.615 7.870 1.00 0.00 C ATOM 1686 NE ARG A 132 3.064 13.575 8.420 1.00 0.00 N ATOM 1687 CZ ARG A 132 3.433 12.443 9.024 1.00 0.00 C ATOM 1688 NH1 ARG A 132 4.717 12.126 9.182 1.00 0.00 N ATOM 1689 NH2 ARG A 132 2.484 11.631 9.461 1.00 0.00 N ATOM 0 H ARG A 132 7.890 13.976 5.155 1.00 0.00 H new ATOM 0 HA ARG A 132 5.985 16.065 5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 132 5.493 13.648 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 132 5.960 13.417 6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 132 3.789 15.392 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 132 3.432 13.681 6.001 1.00 0.00 H new ATOM 0 HD2 ARG A 132 4.914 14.563 8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 132 3.522 15.597 8.097 1.00 0.00 H new ATOM 0 HE ARG A 132 2.060 13.734 8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 132 5.443 12.754 8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 132 4.974 11.255 9.647 1.00 0.00 H new ATOM 0 HH21 ARG A 132 1.503 11.878 9.332 1.00 0.00 H new ATOM 0 HH22 ARG A 132 2.734 10.759 9.927 1.00 0.00 H new ATOM 1703 N GLU A 133 7.492 15.616 8.010 1.00 0.00 N ATOM 1704 CA GLU A 133 7.786 16.292 9.269 1.00 0.00 C ATOM 1705 C GLU A 133 8.665 17.521 9.017 1.00 0.00 C ATOM 1706 O GLU A 133 8.355 18.615 9.504 1.00 0.00 O ATOM 1707 CB GLU A 133 8.362 15.318 10.309 1.00 0.00 C ATOM 1708 CG GLU A 133 9.606 14.523 9.903 1.00 0.00 C ATOM 1709 CD GLU A 133 10.061 13.576 11.008 1.00 0.00 C ATOM 1710 OE1 GLU A 133 9.569 12.424 11.073 1.00 0.00 O ATOM 1711 OE2 GLU A 133 10.940 13.964 11.813 1.00 0.00 O ATOM 0 H GLU A 133 8.021 14.756 7.865 1.00 0.00 H new ATOM 0 HA GLU A 133 6.857 16.659 9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.601 15.885 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.580 14.609 10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 133 9.393 13.951 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.414 15.213 9.660 1.00 0.00 H new ATOM 1718 N MET A 134 9.712 17.369 8.209 1.00 0.00 N ATOM 1719 CA MET A 134 10.713 18.395 7.919 1.00 0.00 C ATOM 1720 C MET A 134 10.617 18.878 6.465 1.00 0.00 C ATOM 1721 O MET A 134 11.552 18.712 5.674 1.00 0.00 O ATOM 1722 CB MET A 134 12.115 17.879 8.300 1.00 0.00 C ATOM 1723 CG MET A 134 12.342 17.869 9.815 1.00 0.00 C ATOM 1724 SD MET A 134 12.346 19.524 10.565 1.00 0.00 S ATOM 1725 CE MET A 134 12.785 19.085 12.265 1.00 0.00 C ATOM 0 H MET A 134 9.894 16.493 7.719 1.00 0.00 H new ATOM 0 HA MET A 134 10.515 19.275 8.531 1.00 0.00 H new ATOM 0 HB2 MET A 134 12.246 16.870 7.909 1.00 0.00 H new ATOM 0 HB3 MET A 134 12.871 18.505 7.826 1.00 0.00 H new ATOM 0 HG2 MET A 134 11.564 17.268 10.286 1.00 0.00 H new ATOM 0 HG3 MET A 134 13.293 17.381 10.028 1.00 0.00 H new ATOM 0 HE1 MET A 134 12.833 19.988 12.873 1.00 0.00 H new ATOM 0 HE2 MET A 134 12.031 18.412 12.673 1.00 0.00 H new ATOM 0 HE3 MET A 134 13.756 18.590 12.274 1.00 0.00 H new ATOM 1735 N ILE A 135 9.494 19.517 6.124 1.00 0.00 N ATOM 1736 CA ILE A 135 9.213 20.076 4.799 1.00 0.00 C ATOM 1737 C ILE A 135 10.219 21.172 4.423 1.00 0.00 C ATOM 1738 O ILE A 135 10.866 21.748 5.304 1.00 0.00 O ATOM 1739 CB ILE A 135 7.767 20.639 4.756 1.00 0.00 C ATOM 1740 CG1 ILE A 135 7.581 21.840 5.712 1.00 0.00 C ATOM 1741 CG2 ILE A 135 6.726 19.546 5.045 1.00 0.00 C ATOM 1742 CD1 ILE A 135 6.206 22.501 5.609 1.00 0.00 C ATOM 0 H ILE A 135 8.731 19.664 6.785 1.00 0.00 H new ATOM 0 HA ILE A 135 9.310 19.272 4.069 1.00 0.00 H new ATOM 0 HB ILE A 135 7.604 21.001 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 135 7.737 21.504 6.737 1.00 0.00 H new ATOM 0 HG13 ILE A 135 8.349 22.584 5.500 1.00 0.00 H new ATOM 0 HG21 ILE A 135 5.726 19.977 5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 135 6.810 18.757 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 135 6.903 19.128 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 135 6.150 23.335 6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 135 6.054 22.868 4.594 1.00 0.00 H new ATOM 0 HD13 ILE A 135 5.433 21.772 5.851 1.00 0.00 H new ATOM 1754 N SER A 136 10.315 21.502 3.135 1.00 0.00 N ATOM 1755 CA SER A 136 11.034 22.676 2.653 1.00 0.00 C ATOM 1756 C SER A 136 9.984 23.639 2.132 1.00 0.00 C ATOM 1757 O SER A 136 10.188 24.862 2.226 1.00 0.00 O ATOM 1758 CB SER A 136 12.127 22.319 1.633 1.00 0.00 C ATOM 1759 OG SER A 136 11.601 21.844 0.404 1.00 0.00 O ATOM 1760 OXT SER A 136 8.945 23.165 1.608 1.00 0.00 O ATOM 0 H SER A 136 9.889 20.952 2.389 1.00 0.00 H new ATOM 0 HA SER A 136 11.596 23.153 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 136 12.742 23.199 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 136 12.781 21.559 2.060 1.00 0.00 H new ATOM 0 HG SER A 136 12.337 21.634 -0.208 1.00 0.00 H new TER 1766 SER A 136