USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 962 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 65 SER OG : rot -23:sc= 0.868 USER MOD Set 1.2: A 102 TYR OH : rot -43:sc= 1.1 USER MOD Set 2.1: A 57 THR OG1 : rot 180:sc= 0.542 USER MOD Set 2.2: A 84 THR OG1 : rot -93:sc= 0.596 USER MOD Set 3.1: A 17 TYR OH : rot 130:sc= 1.28 USER MOD Set 3.2: A 29 HIS : no HE2:sc= -0.394 K(o=0.88,f=-0.58) USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= -0.0634 USER MOD Set 4.2: A 32 SER OG : rot -116:sc= 0.0996 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.486 K(o=-0.49,f=-3.7!) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.491 F(o=-1.9,f=-0.49) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.247 K(o=0.25,f=-4.4!) USER MOD Single : A 38 SER OG : rot -84:sc= 0.0599 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 153:sc= -1.3 (180deg=-2.9!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.612 K(o=0.61,f=-0.059) USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -130:sc= -0.0973 USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0.828 (180deg=0.742) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 62:sc= -0.482 USER MOD Single : A 88 LYS NZ :NH3+ -118:sc= 0.497 (180deg=-0.456) USER MOD Single : A 89 ASN : amide:sc= -0.142 K(o=-0.14,f=-8.2!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -3.42! C(o=-3.4!,f=-5.6!) USER MOD Single : A 95 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.2!) USER MOD Single : A 99 THR OG1 : rot -18:sc= 0.224 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0132 USER MOD Single : A 105 ASN : amide:sc= -1.02 K(o=-1,f=-5.1!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -35:sc= 0.405 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.962 F(o=-1.9!,f=-0.96) USER MOD Single : A 110 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.006) USER MOD Single : A 111 LYS NZ :NH3+ -162:sc= -0.0655 (180deg=-0.438) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0004) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.821 X(o=-0.82,f=-0.84) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.135 -28.838 3.433 1.00 0.00 N ATOM 2 CA MET A 1 19.673 -28.757 3.694 1.00 0.00 C ATOM 3 C MET A 1 19.158 -27.352 3.342 1.00 0.00 C ATOM 4 O MET A 1 19.484 -26.369 4.009 1.00 0.00 O ATOM 5 CB MET A 1 19.353 -29.107 5.170 1.00 0.00 C ATOM 6 CG MET A 1 17.857 -29.095 5.517 1.00 0.00 C ATOM 7 SD MET A 1 16.911 -30.311 4.567 1.00 0.00 S ATOM 8 CE MET A 1 15.239 -30.028 5.166 1.00 0.00 C ATOM 0 H1 MET A 1 21.478 -29.790 3.673 1.00 0.00 H new ATOM 0 H2 MET A 1 21.319 -28.646 2.428 1.00 0.00 H new ATOM 0 H3 MET A 1 21.631 -28.134 4.016 1.00 0.00 H new ATOM 0 HA MET A 1 19.165 -29.487 3.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.757 -30.095 5.392 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.869 -28.399 5.818 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.733 -29.295 6.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.453 -28.100 5.331 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.552 -30.710 4.664 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.203 -30.203 6.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.947 -28.999 4.956 1.00 0.00 H new ATOM 20 N ILE A 2 18.374 -27.273 2.268 1.00 0.00 N ATOM 21 CA ILE A 2 17.749 -26.033 1.802 1.00 0.00 C ATOM 22 C ILE A 2 16.266 -26.028 2.206 1.00 0.00 C ATOM 23 O ILE A 2 15.613 -27.081 2.183 1.00 0.00 O ATOM 24 CB ILE A 2 17.893 -25.912 0.232 1.00 0.00 C ATOM 25 CG1 ILE A 2 19.396 -25.801 -0.182 1.00 0.00 C ATOM 26 CG2 ILE A 2 17.074 -24.730 -0.342 1.00 0.00 C ATOM 27 CD1 ILE A 2 20.106 -24.538 0.308 1.00 0.00 C ATOM 0 H ILE A 2 18.151 -28.081 1.687 1.00 0.00 H new ATOM 0 HA ILE A 2 18.247 -25.179 2.261 1.00 0.00 H new ATOM 0 HB ILE A 2 17.481 -26.825 -0.198 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.929 -26.672 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 2 19.462 -25.839 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.205 -24.688 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 2 16.019 -24.872 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.421 -23.797 0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.143 -24.550 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.604 -23.659 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.078 -24.504 1.397 1.00 0.00 H new ATOM 39 N GLU A 3 15.742 -24.847 2.568 1.00 0.00 N ATOM 40 CA GLU A 3 14.313 -24.653 2.862 1.00 0.00 C ATOM 41 C GLU A 3 13.765 -23.534 1.949 1.00 0.00 C ATOM 42 O GLU A 3 14.519 -22.626 1.597 1.00 0.00 O ATOM 43 CB GLU A 3 14.103 -24.272 4.349 1.00 0.00 C ATOM 44 CG GLU A 3 14.662 -22.888 4.752 1.00 0.00 C ATOM 45 CD GLU A 3 14.143 -22.364 6.097 1.00 0.00 C ATOM 46 OE1 GLU A 3 12.994 -22.679 6.472 1.00 0.00 O ATOM 47 OE2 GLU A 3 14.847 -21.584 6.762 1.00 0.00 O ATOM 0 H GLU A 3 16.298 -23.998 2.665 1.00 0.00 H new ATOM 0 HA GLU A 3 13.779 -25.585 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.035 -24.294 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.572 -25.033 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.750 -22.947 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 3 14.411 -22.167 3.974 1.00 0.00 H new ATOM 54 N PRO A 4 12.474 -23.585 1.502 1.00 0.00 N ATOM 55 CA PRO A 4 11.858 -22.445 0.789 1.00 0.00 C ATOM 56 C PRO A 4 11.387 -21.348 1.780 1.00 0.00 C ATOM 57 O PRO A 4 10.573 -21.609 2.680 1.00 0.00 O ATOM 58 CB PRO A 4 10.675 -23.114 0.049 1.00 0.00 C ATOM 59 CG PRO A 4 10.281 -24.276 0.907 1.00 0.00 C ATOM 60 CD PRO A 4 11.547 -24.748 1.605 1.00 0.00 C ATOM 0 HA PRO A 4 12.540 -21.926 0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.845 -22.418 -0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.969 -23.443 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.524 -23.982 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.850 -25.075 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.354 -25.013 2.645 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.962 -25.633 1.122 1.00 0.00 H new ATOM 68 N ILE A 5 11.890 -20.115 1.598 1.00 0.00 N ATOM 69 CA ILE A 5 11.561 -18.974 2.472 1.00 0.00 C ATOM 70 C ILE A 5 10.835 -17.884 1.692 1.00 0.00 C ATOM 71 O ILE A 5 10.743 -17.928 0.459 1.00 0.00 O ATOM 72 CB ILE A 5 12.835 -18.356 3.166 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.877 -17.851 2.115 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.466 -19.363 4.143 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.096 -17.151 2.697 1.00 0.00 C ATOM 0 H ILE A 5 12.535 -19.881 0.843 1.00 0.00 H new ATOM 0 HA ILE A 5 10.909 -19.366 3.253 1.00 0.00 H new ATOM 0 HB ILE A 5 12.512 -17.487 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.214 -18.702 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.376 -17.166 1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.343 -18.916 4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.740 -19.627 4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.762 -20.260 3.600 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.757 -16.839 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 5 14.777 -16.276 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.628 -17.836 3.357 1.00 0.00 H new ATOM 87 N LYS A 6 10.310 -16.911 2.439 1.00 0.00 N ATOM 88 CA LYS A 6 9.678 -15.713 1.880 1.00 0.00 C ATOM 89 C LYS A 6 9.605 -14.611 2.947 1.00 0.00 C ATOM 90 O LYS A 6 9.612 -14.908 4.152 1.00 0.00 O ATOM 91 CB LYS A 6 8.275 -15.996 1.261 1.00 0.00 C ATOM 92 CG LYS A 6 7.101 -16.210 2.251 1.00 0.00 C ATOM 93 CD LYS A 6 7.227 -17.483 3.123 1.00 0.00 C ATOM 94 CE LYS A 6 7.309 -18.784 2.315 1.00 0.00 C ATOM 95 NZ LYS A 6 7.577 -19.958 3.193 1.00 0.00 N ATOM 0 H LYS A 6 10.311 -16.932 3.459 1.00 0.00 H new ATOM 0 HA LYS A 6 10.304 -15.371 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.019 -15.163 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.354 -16.883 0.632 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.030 -15.341 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.170 -16.261 1.687 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.117 -17.398 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.371 -17.537 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.374 -18.938 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.098 -18.700 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.626 -20.821 2.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.481 -19.822 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.811 -20.052 3.890 1.00 0.00 H new ATOM 109 N ARG A 7 9.605 -13.346 2.495 1.00 0.00 N ATOM 110 CA ARG A 7 9.431 -12.173 3.375 1.00 0.00 C ATOM 111 C ARG A 7 8.247 -11.341 2.866 1.00 0.00 C ATOM 112 O ARG A 7 8.003 -11.291 1.657 1.00 0.00 O ATOM 113 CB ARG A 7 10.743 -11.339 3.435 1.00 0.00 C ATOM 114 CG ARG A 7 10.785 -10.272 4.552 1.00 0.00 C ATOM 115 CD ARG A 7 12.221 -9.764 4.851 1.00 0.00 C ATOM 116 NE ARG A 7 13.000 -9.474 3.628 1.00 0.00 N ATOM 117 CZ ARG A 7 14.233 -8.935 3.614 1.00 0.00 C ATOM 118 NH1 ARG A 7 14.858 -8.585 4.736 1.00 0.00 N ATOM 119 NH2 ARG A 7 14.852 -8.779 2.465 1.00 0.00 N ATOM 0 H ARG A 7 9.725 -13.105 1.511 1.00 0.00 H new ATOM 0 HA ARG A 7 9.214 -12.498 4.393 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.583 -12.020 3.571 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.886 -10.844 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.159 -9.427 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 7 10.356 -10.690 5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 7 12.161 -8.861 5.459 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.749 -10.512 5.442 1.00 0.00 H new ATOM 0 HE ARG A 7 12.572 -9.699 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.402 -8.723 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.793 -8.179 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.397 -9.065 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.787 -8.372 2.441 1.00 0.00 H new ATOM 133 N THR A 8 7.524 -10.688 3.789 1.00 0.00 N ATOM 134 CA THR A 8 6.244 -10.028 3.494 1.00 0.00 C ATOM 135 C THR A 8 6.343 -8.513 3.726 1.00 0.00 C ATOM 136 O THR A 8 6.421 -8.062 4.868 1.00 0.00 O ATOM 137 CB THR A 8 5.123 -10.643 4.397 1.00 0.00 C ATOM 138 OG1 THR A 8 5.087 -12.068 4.212 1.00 0.00 O ATOM 139 CG2 THR A 8 3.727 -10.056 4.102 1.00 0.00 C ATOM 0 H THR A 8 7.812 -10.603 4.764 1.00 0.00 H new ATOM 0 HA THR A 8 5.997 -10.191 2.445 1.00 0.00 H new ATOM 0 HB THR A 8 5.369 -10.392 5.429 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.386 -12.454 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.991 -10.520 4.758 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.741 -8.980 4.276 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.462 -10.252 3.063 1.00 0.00 H new ATOM 147 N GLN A 9 6.377 -7.735 2.635 1.00 0.00 N ATOM 148 CA GLN A 9 6.380 -6.264 2.676 1.00 0.00 C ATOM 149 C GLN A 9 5.007 -5.766 2.224 1.00 0.00 C ATOM 150 O GLN A 9 4.685 -5.806 1.033 1.00 0.00 O ATOM 151 CB GLN A 9 7.495 -5.707 1.748 1.00 0.00 C ATOM 152 CG GLN A 9 7.694 -4.169 1.751 1.00 0.00 C ATOM 153 CD GLN A 9 8.306 -3.598 3.038 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.140 -4.141 4.128 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.026 -2.487 2.919 1.00 0.00 N ATOM 0 H GLN A 9 6.404 -8.113 1.688 1.00 0.00 H new ATOM 0 HA GLN A 9 6.581 -5.917 3.689 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.439 -6.174 2.031 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.277 -6.021 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.334 -3.899 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.728 -3.692 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.149 -2.055 2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.455 -2.067 3.743 1.00 0.00 H new ATOM 164 N VAL A 10 4.171 -5.346 3.184 1.00 0.00 N ATOM 165 CA VAL A 10 2.842 -4.805 2.878 1.00 0.00 C ATOM 166 C VAL A 10 2.942 -3.282 2.696 1.00 0.00 C ATOM 167 O VAL A 10 3.514 -2.581 3.540 1.00 0.00 O ATOM 168 CB VAL A 10 1.772 -5.201 3.968 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.709 -6.736 4.128 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.026 -4.512 5.334 1.00 0.00 C ATOM 0 H VAL A 10 4.393 -5.371 4.179 1.00 0.00 H new ATOM 0 HA VAL A 10 2.492 -5.248 1.946 1.00 0.00 H new ATOM 0 HB VAL A 10 0.806 -4.841 3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.966 -6.993 4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.431 -7.190 3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.685 -7.110 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.260 -4.821 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.008 -4.800 5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.989 -3.430 5.208 1.00 0.00 H new ATOM 180 N VAL A 11 2.440 -2.770 1.564 1.00 0.00 N ATOM 181 CA VAL A 11 2.404 -1.327 1.324 1.00 0.00 C ATOM 182 C VAL A 11 1.064 -0.822 1.833 1.00 0.00 C ATOM 183 O VAL A 11 0.022 -1.020 1.212 1.00 0.00 O ATOM 184 CB VAL A 11 2.605 -0.968 -0.189 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.569 0.563 -0.411 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.923 -1.574 -0.697 1.00 0.00 C ATOM 0 H VAL A 11 2.056 -3.333 0.805 1.00 0.00 H new ATOM 0 HA VAL A 11 3.228 -0.846 1.851 1.00 0.00 H new ATOM 0 HB VAL A 11 1.782 -1.395 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.711 0.781 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.605 0.955 -0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.365 1.033 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.058 -1.322 -1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.755 -1.173 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.892 -2.658 -0.585 1.00 0.00 H new ATOM 196 N THR A 12 1.126 -0.199 2.993 1.00 0.00 N ATOM 197 CA THR A 12 -0.028 0.232 3.755 1.00 0.00 C ATOM 198 C THR A 12 -0.336 1.710 3.466 1.00 0.00 C ATOM 199 O THR A 12 0.337 2.606 3.985 1.00 0.00 O ATOM 200 CB THR A 12 0.321 0.002 5.260 1.00 0.00 C ATOM 201 OG1 THR A 12 0.756 -1.357 5.446 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.833 0.266 6.214 1.00 0.00 C ATOM 0 H THR A 12 2.011 0.029 3.446 1.00 0.00 H new ATOM 0 HA THR A 12 -0.921 -0.331 3.483 1.00 0.00 H new ATOM 0 HB THR A 12 1.105 0.721 5.498 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.977 -1.503 6.389 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.508 0.083 7.238 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.157 1.302 6.116 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.663 -0.398 5.973 1.00 0.00 H new ATOM 210 N GLN A 13 -1.335 1.948 2.602 1.00 0.00 N ATOM 211 CA GLN A 13 -1.883 3.286 2.365 1.00 0.00 C ATOM 212 C GLN A 13 -3.073 3.509 3.295 1.00 0.00 C ATOM 213 O GLN A 13 -4.174 2.990 3.053 1.00 0.00 O ATOM 214 CB GLN A 13 -2.279 3.493 0.876 1.00 0.00 C ATOM 215 CG GLN A 13 -1.102 3.470 -0.116 1.00 0.00 C ATOM 216 CD GLN A 13 0.032 4.424 0.261 1.00 0.00 C ATOM 217 OE1 GLN A 13 1.062 3.909 0.915 1.00 0.00 O flip ATOM 218 NE2 GLN A 13 0.004 5.608 -0.064 1.00 0.00 N flip ATOM 0 H GLN A 13 -1.783 1.217 2.050 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.113 4.026 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.989 2.716 0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.796 4.448 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.708 2.456 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.469 3.729 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.801 5.980 -0.567 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.786 6.220 0.169 1.00 0.00 H new ATOM 227 N THR A 14 -2.831 4.246 4.386 1.00 0.00 N ATOM 228 CA THR A 14 -3.861 4.536 5.391 1.00 0.00 C ATOM 229 C THR A 14 -4.631 5.788 4.968 1.00 0.00 C ATOM 230 O THR A 14 -4.122 6.904 5.088 1.00 0.00 O ATOM 231 CB THR A 14 -3.209 4.742 6.796 1.00 0.00 C ATOM 232 OG1 THR A 14 -2.431 3.584 7.139 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.254 5.010 7.898 1.00 0.00 C ATOM 0 H THR A 14 -1.921 4.656 4.596 1.00 0.00 H new ATOM 0 HA THR A 14 -4.549 3.694 5.460 1.00 0.00 H new ATOM 0 HB THR A 14 -2.571 5.623 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.021 3.714 8.019 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.748 5.146 8.854 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.817 5.911 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.937 4.163 7.966 1.00 0.00 H new ATOM 241 N ILE A 15 -5.855 5.606 4.464 1.00 0.00 N ATOM 242 CA ILE A 15 -6.660 6.725 3.967 1.00 0.00 C ATOM 243 C ILE A 15 -7.525 7.328 5.072 1.00 0.00 C ATOM 244 O ILE A 15 -8.294 6.626 5.744 1.00 0.00 O ATOM 245 CB ILE A 15 -7.528 6.340 2.708 1.00 0.00 C ATOM 246 CG1 ILE A 15 -6.581 5.938 1.543 1.00 0.00 C ATOM 247 CG2 ILE A 15 -8.450 7.515 2.260 1.00 0.00 C ATOM 248 CD1 ILE A 15 -7.268 5.527 0.262 1.00 0.00 C ATOM 0 H ILE A 15 -6.309 4.696 4.390 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.954 7.488 3.638 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.172 5.503 2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.921 6.778 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.950 5.114 1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.031 7.210 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.126 7.778 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.838 8.380 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.519 5.267 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.906 4.664 0.452 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.876 6.353 -0.106 1.00 0.00 H new ATOM 260 N HIS A 16 -7.347 8.640 5.275 1.00 0.00 N ATOM 261 CA HIS A 16 -8.167 9.439 6.186 1.00 0.00 C ATOM 262 C HIS A 16 -9.183 10.212 5.350 1.00 0.00 C ATOM 263 O HIS A 16 -8.805 10.981 4.462 1.00 0.00 O ATOM 264 CB HIS A 16 -7.297 10.424 7.005 1.00 0.00 C ATOM 265 CG HIS A 16 -6.311 9.781 7.958 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.682 10.476 8.972 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.820 8.512 8.025 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.852 9.673 9.610 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.917 8.478 9.057 1.00 0.00 N ATOM 0 H HIS A 16 -6.620 9.180 4.804 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.671 8.781 6.894 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.745 11.058 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.957 11.076 7.577 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.091 7.686 7.384 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.225 9.948 10.445 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.382 7.660 9.349 1.00 0.00 H new ATOM 278 N TYR A 17 -10.469 9.990 5.607 1.00 0.00 N ATOM 279 CA TYR A 17 -11.542 10.747 4.967 1.00 0.00 C ATOM 280 C TYR A 17 -11.830 11.936 5.864 1.00 0.00 C ATOM 281 O TYR A 17 -12.178 11.754 7.027 1.00 0.00 O ATOM 282 CB TYR A 17 -12.801 9.860 4.766 1.00 0.00 C ATOM 283 CG TYR A 17 -12.558 8.661 3.824 1.00 0.00 C ATOM 284 CD1 TYR A 17 -11.745 7.600 4.213 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.072 8.624 2.520 1.00 0.00 C ATOM 286 CE1 TYR A 17 -11.481 6.559 3.367 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.788 7.580 1.669 1.00 0.00 C ATOM 288 CZ TYR A 17 -11.990 6.555 2.099 1.00 0.00 C ATOM 289 OH TYR A 17 -11.680 5.516 1.253 1.00 0.00 O ATOM 0 H TYR A 17 -10.797 9.282 6.264 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.248 11.084 3.973 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.135 9.490 5.735 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.608 10.472 4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.314 7.599 5.203 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.703 9.430 2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.867 5.736 3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.193 7.570 0.668 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.503 5.159 0.859 1.00 0.00 H new ATOM 299 N ARG A 18 -11.599 13.143 5.352 1.00 0.00 N ATOM 300 CA ARG A 18 -11.836 14.394 6.093 1.00 0.00 C ATOM 301 C ARG A 18 -12.569 15.392 5.207 1.00 0.00 C ATOM 302 O ARG A 18 -12.835 15.107 4.046 1.00 0.00 O ATOM 303 CB ARG A 18 -10.506 15.015 6.602 1.00 0.00 C ATOM 304 CG ARG A 18 -9.747 14.144 7.614 1.00 0.00 C ATOM 305 CD ARG A 18 -8.624 14.914 8.316 1.00 0.00 C ATOM 306 NE ARG A 18 -7.612 15.431 7.377 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.299 16.724 7.193 1.00 0.00 C ATOM 308 NH1 ARG A 18 -7.894 17.680 7.901 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.378 17.052 6.303 1.00 0.00 N ATOM 0 H ARG A 18 -11.241 13.288 4.408 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.450 14.158 6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.858 15.206 5.747 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.722 15.980 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.446 13.765 8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.326 13.279 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.054 15.746 8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.140 14.260 9.041 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.104 14.746 6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.600 17.436 8.596 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.645 18.657 7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.910 16.325 5.761 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.135 18.032 6.158 1.00 0.00 H new ATOM 323 N TYR A 19 -12.903 16.557 5.779 1.00 0.00 N ATOM 324 CA TYR A 19 -13.554 17.665 5.074 1.00 0.00 C ATOM 325 C TYR A 19 -12.528 18.767 4.787 1.00 0.00 C ATOM 326 O TYR A 19 -11.405 18.725 5.301 1.00 0.00 O ATOM 327 CB TYR A 19 -14.735 18.215 5.916 1.00 0.00 C ATOM 328 CG TYR A 19 -15.818 17.159 6.227 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.798 16.819 5.292 1.00 0.00 C ATOM 330 CD2 TYR A 19 -15.844 16.482 7.450 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.753 15.859 5.562 1.00 0.00 C ATOM 332 CE2 TYR A 19 -16.793 15.521 7.720 1.00 0.00 C ATOM 333 CZ TYR A 19 -17.746 15.214 6.777 1.00 0.00 C ATOM 334 OH TYR A 19 -18.690 14.250 7.052 1.00 0.00 O ATOM 0 H TYR A 19 -12.724 16.757 6.763 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.953 17.305 4.126 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.347 18.613 6.854 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.194 19.047 5.382 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.809 17.319 4.335 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.103 16.718 8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.502 15.616 4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.789 15.009 8.671 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.541 13.894 7.953 1.00 0.00 H new ATOM 344 N GLU A 20 -12.920 19.754 3.957 1.00 0.00 N ATOM 345 CA GLU A 20 -12.097 20.956 3.681 1.00 0.00 C ATOM 346 C GLU A 20 -11.907 21.808 4.952 1.00 0.00 C ATOM 347 O GLU A 20 -10.917 22.527 5.088 1.00 0.00 O ATOM 348 CB GLU A 20 -12.742 21.813 2.569 1.00 0.00 C ATOM 349 CG GLU A 20 -14.116 22.405 2.939 1.00 0.00 C ATOM 350 CD GLU A 20 -14.670 23.389 1.899 1.00 0.00 C ATOM 351 OE1 GLU A 20 -13.885 24.144 1.298 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.891 23.416 1.683 1.00 0.00 O ATOM 0 H GLU A 20 -13.811 19.744 3.460 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.118 20.614 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.064 22.629 2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.852 21.201 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.828 21.590 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.035 22.914 3.899 1.00 0.00 H new ATOM 359 N ASP A 21 -12.877 21.691 5.877 1.00 0.00 N ATOM 360 CA ASP A 21 -12.877 22.393 7.173 1.00 0.00 C ATOM 361 C ASP A 21 -11.777 21.835 8.091 1.00 0.00 C ATOM 362 O ASP A 21 -11.391 22.481 9.067 1.00 0.00 O ATOM 363 CB ASP A 21 -14.263 22.230 7.844 1.00 0.00 C ATOM 364 CG ASP A 21 -15.427 22.608 6.913 1.00 0.00 C ATOM 365 OD1 ASP A 21 -15.867 21.739 6.123 1.00 0.00 O ATOM 366 OD2 ASP A 21 -15.886 23.769 6.942 1.00 0.00 O ATOM 0 H ASP A 21 -13.695 21.097 5.743 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.676 23.451 7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.385 21.196 8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.303 22.852 8.739 1.00 0.00 H new ATOM 371 N GLY A 22 -11.266 20.633 7.759 1.00 0.00 N ATOM 372 CA GLY A 22 -10.273 19.936 8.581 1.00 0.00 C ATOM 373 C GLY A 22 -10.894 18.799 9.382 1.00 0.00 C ATOM 374 O GLY A 22 -10.200 17.849 9.759 1.00 0.00 O ATOM 0 H GLY A 22 -11.533 20.125 6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.485 19.540 7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.804 20.646 9.262 1.00 0.00 H new ATOM 378 N ALA A 23 -12.217 18.906 9.618 1.00 0.00 N ATOM 379 CA ALA A 23 -13.001 17.925 10.394 1.00 0.00 C ATOM 380 C ALA A 23 -12.872 16.500 9.816 1.00 0.00 C ATOM 381 O ALA A 23 -12.870 16.335 8.606 1.00 0.00 O ATOM 382 CB ALA A 23 -14.469 18.360 10.406 1.00 0.00 C ATOM 0 H ALA A 23 -12.777 19.685 9.271 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.609 17.896 11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.057 17.641 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.553 19.345 10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -14.844 18.404 9.383 1.00 0.00 H new ATOM 388 N VAL A 24 -12.769 15.490 10.682 1.00 0.00 N ATOM 389 CA VAL A 24 -12.555 14.097 10.257 1.00 0.00 C ATOM 390 C VAL A 24 -13.906 13.424 9.963 1.00 0.00 C ATOM 391 O VAL A 24 -14.784 13.382 10.830 1.00 0.00 O ATOM 392 CB VAL A 24 -11.756 13.283 11.344 1.00 0.00 C ATOM 393 CG1 VAL A 24 -11.413 11.863 10.838 1.00 0.00 C ATOM 394 CG2 VAL A 24 -10.479 14.051 11.776 1.00 0.00 C ATOM 0 H VAL A 24 -12.831 15.609 11.693 1.00 0.00 H new ATOM 0 HA VAL A 24 -11.957 14.106 9.346 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.394 13.172 12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.862 11.325 11.609 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.334 11.326 10.609 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.801 11.935 9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.942 13.471 12.527 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.836 14.205 10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.760 15.017 12.196 1.00 0.00 H new ATOM 404 N ALA A 25 -14.073 12.935 8.724 1.00 0.00 N ATOM 405 CA ALA A 25 -15.267 12.169 8.312 1.00 0.00 C ATOM 406 C ALA A 25 -15.156 10.728 8.846 1.00 0.00 C ATOM 407 O ALA A 25 -16.013 10.262 9.603 1.00 0.00 O ATOM 408 CB ALA A 25 -15.417 12.197 6.776 1.00 0.00 C ATOM 0 H ALA A 25 -13.387 13.057 7.979 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.162 12.625 8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -16.301 11.629 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.522 13.228 6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.534 11.754 6.316 1.00 0.00 H new ATOM 414 N HIS A 26 -14.063 10.052 8.467 1.00 0.00 N ATOM 415 CA HIS A 26 -13.738 8.689 8.908 1.00 0.00 C ATOM 416 C HIS A 26 -12.294 8.349 8.513 1.00 0.00 C ATOM 417 O HIS A 26 -12.020 8.079 7.346 1.00 0.00 O ATOM 418 CB HIS A 26 -14.710 7.649 8.295 1.00 0.00 C ATOM 419 CG HIS A 26 -14.426 6.224 8.713 1.00 0.00 C ATOM 420 ND1 HIS A 26 -13.553 5.403 8.041 1.00 0.00 N ATOM 421 CD2 HIS A 26 -14.905 5.490 9.739 1.00 0.00 C ATOM 422 CE1 HIS A 26 -13.507 4.233 8.631 1.00 0.00 C ATOM 423 NE2 HIS A 26 -14.316 4.256 9.674 1.00 0.00 N ATOM 0 H HIS A 26 -13.367 10.445 7.833 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.843 8.649 9.992 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.730 7.905 8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -14.659 7.715 7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.623 5.817 10.477 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.908 3.391 8.316 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.475 3.485 10.322 1.00 0.00 H new ATOM 432 N ASP A 27 -11.371 8.375 9.483 1.00 0.00 N ATOM 433 CA ASP A 27 -9.952 8.014 9.256 1.00 0.00 C ATOM 434 C ASP A 27 -9.725 6.488 9.404 1.00 0.00 C ATOM 435 O ASP A 27 -10.687 5.718 9.470 1.00 0.00 O ATOM 436 CB ASP A 27 -9.039 8.818 10.230 1.00 0.00 C ATOM 437 CG ASP A 27 -9.262 8.474 11.708 1.00 0.00 C ATOM 438 OD1 ASP A 27 -10.142 9.085 12.344 1.00 0.00 O ATOM 439 OD2 ASP A 27 -8.555 7.591 12.239 1.00 0.00 O ATOM 0 H ASP A 27 -11.578 8.644 10.445 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.688 8.278 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.996 8.630 9.975 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.215 9.884 10.083 1.00 0.00 H new ATOM 444 N ASP A 28 -8.435 6.073 9.395 1.00 0.00 N ATOM 445 CA ASP A 28 -7.992 4.679 9.713 1.00 0.00 C ATOM 446 C ASP A 28 -8.483 3.643 8.663 1.00 0.00 C ATOM 447 O ASP A 28 -8.427 2.427 8.885 1.00 0.00 O ATOM 448 CB ASP A 28 -8.428 4.311 11.179 1.00 0.00 C ATOM 449 CG ASP A 28 -7.795 3.029 11.747 1.00 0.00 C ATOM 450 OD1 ASP A 28 -6.575 3.032 12.029 1.00 0.00 O ATOM 451 OD2 ASP A 28 -8.505 2.018 11.928 1.00 0.00 O ATOM 0 H ASP A 28 -7.661 6.696 9.166 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.904 4.641 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.176 5.144 11.836 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.512 4.203 11.202 1.00 0.00 H new ATOM 456 N HIS A 29 -8.917 4.137 7.483 1.00 0.00 N ATOM 457 CA HIS A 29 -9.415 3.283 6.392 1.00 0.00 C ATOM 458 C HIS A 29 -8.242 2.874 5.476 1.00 0.00 C ATOM 459 O HIS A 29 -7.906 3.567 4.516 1.00 0.00 O ATOM 460 CB HIS A 29 -10.532 4.010 5.610 1.00 0.00 C ATOM 461 CG HIS A 29 -11.117 3.203 4.475 1.00 0.00 C ATOM 462 ND1 HIS A 29 -10.788 3.415 3.154 1.00 0.00 N ATOM 463 CD2 HIS A 29 -12.010 2.186 4.476 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.446 2.574 2.399 1.00 0.00 C ATOM 465 NE2 HIS A 29 -12.196 1.812 3.168 1.00 0.00 N ATOM 0 H HIS A 29 -8.931 5.133 7.264 1.00 0.00 H new ATOM 0 HA HIS A 29 -9.850 2.374 6.807 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.331 4.276 6.302 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.133 4.942 5.211 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -10.132 4.120 2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.486 1.751 5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -11.385 2.514 1.322 1.00 0.00 H new ATOM 474 N VAL A 30 -7.634 1.745 5.813 1.00 0.00 N ATOM 475 CA VAL A 30 -6.372 1.274 5.231 1.00 0.00 C ATOM 476 C VAL A 30 -6.603 0.299 4.052 1.00 0.00 C ATOM 477 O VAL A 30 -7.558 -0.485 4.044 1.00 0.00 O ATOM 478 CB VAL A 30 -5.518 0.547 6.340 1.00 0.00 C ATOM 479 CG1 VAL A 30 -4.156 0.095 5.799 1.00 0.00 C ATOM 480 CG2 VAL A 30 -5.349 1.435 7.597 1.00 0.00 C ATOM 0 H VAL A 30 -8.010 1.110 6.517 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.842 2.146 4.848 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.068 -0.346 6.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.596 -0.402 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.305 -0.598 4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.597 0.963 5.449 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.756 0.903 8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.843 2.361 7.323 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.329 1.667 8.013 1.00 0.00 H new ATOM 490 N VAL A 31 -5.713 0.376 3.065 1.00 0.00 N ATOM 491 CA VAL A 31 -5.524 -0.650 2.034 1.00 0.00 C ATOM 492 C VAL A 31 -4.041 -1.041 2.042 1.00 0.00 C ATOM 493 O VAL A 31 -3.164 -0.169 2.061 1.00 0.00 O ATOM 494 CB VAL A 31 -5.960 -0.130 0.617 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.244 1.190 0.239 1.00 0.00 C ATOM 496 CG2 VAL A 31 -5.776 -1.206 -0.486 1.00 0.00 C ATOM 0 H VAL A 31 -5.086 1.173 2.955 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.150 -1.516 2.250 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.027 0.084 0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.575 1.514 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.486 1.958 0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.166 1.028 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.091 -0.799 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.727 -1.495 -0.541 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.381 -2.080 -0.246 1.00 0.00 H new ATOM 506 N SER A 32 -3.749 -2.348 2.104 1.00 0.00 N ATOM 507 CA SER A 32 -2.367 -2.853 2.064 1.00 0.00 C ATOM 508 C SER A 32 -2.221 -3.950 1.004 1.00 0.00 C ATOM 509 O SER A 32 -3.040 -4.879 0.932 1.00 0.00 O ATOM 510 CB SER A 32 -1.928 -3.375 3.453 1.00 0.00 C ATOM 511 OG SER A 32 -2.077 -2.374 4.446 1.00 0.00 O ATOM 0 H SER A 32 -4.456 -3.079 2.183 1.00 0.00 H new ATOM 0 HA SER A 32 -1.713 -2.024 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.522 -4.248 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.888 -3.698 3.411 1.00 0.00 H new ATOM 0 HG SER A 32 -1.198 -2.142 4.811 1.00 0.00 H new ATOM 517 N LEU A 33 -1.173 -3.834 0.182 1.00 0.00 N ATOM 518 CA LEU A 33 -0.822 -4.847 -0.819 1.00 0.00 C ATOM 519 C LEU A 33 0.331 -5.688 -0.270 1.00 0.00 C ATOM 520 O LEU A 33 1.380 -5.152 0.083 1.00 0.00 O ATOM 521 CB LEU A 33 -0.413 -4.190 -2.149 1.00 0.00 C ATOM 522 CG LEU A 33 -1.511 -3.413 -2.918 1.00 0.00 C ATOM 523 CD1 LEU A 33 -0.906 -2.745 -4.168 1.00 0.00 C ATOM 524 CD2 LEU A 33 -2.697 -4.330 -3.287 1.00 0.00 C ATOM 0 H LEU A 33 -0.542 -3.032 0.192 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.689 -5.478 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.410 -3.504 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.026 -4.969 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.903 -2.633 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.685 -2.201 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.121 -2.052 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.484 -3.509 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.449 -3.753 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.344 -5.145 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.137 -4.740 -2.378 1.00 0.00 H new ATOM 536 N ILE A 34 0.120 -6.995 -0.212 1.00 0.00 N ATOM 537 CA ILE A 34 1.089 -7.953 0.314 1.00 0.00 C ATOM 538 C ILE A 34 2.097 -8.287 -0.797 1.00 0.00 C ATOM 539 O ILE A 34 1.709 -8.873 -1.800 1.00 0.00 O ATOM 540 CB ILE A 34 0.373 -9.273 0.829 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.555 -9.005 2.075 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.408 -10.374 1.162 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.834 -8.212 1.811 1.00 0.00 C ATOM 0 H ILE A 34 -0.744 -7.430 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 34 1.604 -7.511 1.167 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.263 -9.620 0.014 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.832 -9.966 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.028 -8.473 2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.890 -11.267 1.512 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.983 -10.615 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.082 -10.017 1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.387 -8.093 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.578 -7.230 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.451 -8.747 1.089 1.00 0.00 H new ATOM 555 N PHE A 35 3.365 -7.875 -0.622 1.00 0.00 N ATOM 556 CA PHE A 35 4.456 -8.177 -1.566 1.00 0.00 C ATOM 557 C PHE A 35 5.399 -9.195 -0.918 1.00 0.00 C ATOM 558 O PHE A 35 6.229 -8.864 -0.070 1.00 0.00 O ATOM 559 CB PHE A 35 5.219 -6.891 -1.979 1.00 0.00 C ATOM 560 CG PHE A 35 4.363 -5.913 -2.786 1.00 0.00 C ATOM 561 CD1 PHE A 35 4.262 -6.027 -4.169 1.00 0.00 C ATOM 562 CD2 PHE A 35 3.668 -4.885 -2.168 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.494 -5.147 -4.902 1.00 0.00 C ATOM 564 CE2 PHE A 35 2.903 -4.006 -2.903 1.00 0.00 C ATOM 565 CZ PHE A 35 2.814 -4.132 -4.269 1.00 0.00 C ATOM 0 H PHE A 35 3.663 -7.321 0.181 1.00 0.00 H new ATOM 0 HA PHE A 35 4.035 -8.600 -2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.584 -6.390 -1.083 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.094 -7.169 -2.567 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.794 -6.818 -4.677 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.727 -4.772 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.426 -5.255 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.369 -3.212 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.215 -3.439 -4.841 1.00 0.00 H new ATOM 575 N THR A 36 5.234 -10.444 -1.320 1.00 0.00 N ATOM 576 CA THR A 36 5.974 -11.585 -0.795 1.00 0.00 C ATOM 577 C THR A 36 7.138 -11.945 -1.737 1.00 0.00 C ATOM 578 O THR A 36 6.909 -12.434 -2.852 1.00 0.00 O ATOM 579 CB THR A 36 4.997 -12.799 -0.630 1.00 0.00 C ATOM 580 OG1 THR A 36 3.911 -12.438 0.240 1.00 0.00 O ATOM 581 CG2 THR A 36 5.690 -14.038 -0.080 1.00 0.00 C ATOM 0 H THR A 36 4.562 -10.702 -2.042 1.00 0.00 H new ATOM 0 HA THR A 36 6.395 -11.332 0.178 1.00 0.00 H new ATOM 0 HB THR A 36 4.624 -13.044 -1.624 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.303 -13.200 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.967 -14.848 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.487 -14.340 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.113 -13.814 0.899 1.00 0.00 H new ATOM 589 N GLN A 37 8.385 -11.664 -1.318 1.00 0.00 N ATOM 590 CA GLN A 37 9.570 -12.119 -2.067 1.00 0.00 C ATOM 591 C GLN A 37 9.872 -13.566 -1.682 1.00 0.00 C ATOM 592 O GLN A 37 10.165 -13.857 -0.526 1.00 0.00 O ATOM 593 CB GLN A 37 10.811 -11.203 -1.859 1.00 0.00 C ATOM 594 CG GLN A 37 11.279 -11.041 -0.393 1.00 0.00 C ATOM 595 CD GLN A 37 12.616 -10.305 -0.223 1.00 0.00 C ATOM 596 OE1 GLN A 37 13.335 -10.528 0.755 1.00 0.00 O ATOM 597 NE2 GLN A 37 12.960 -9.415 -1.148 1.00 0.00 N ATOM 0 H GLN A 37 8.597 -11.130 -0.475 1.00 0.00 H new ATOM 0 HA GLN A 37 9.343 -12.059 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.639 -11.603 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.584 -10.216 -2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 37 10.511 -10.503 0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.364 -12.030 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 12.349 -9.248 -1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 37 13.835 -8.899 -1.059 1.00 0.00 H new ATOM 606 N SER A 38 9.732 -14.480 -2.637 1.00 0.00 N ATOM 607 CA SER A 38 10.055 -15.888 -2.427 1.00 0.00 C ATOM 608 C SER A 38 11.549 -16.142 -2.717 1.00 0.00 C ATOM 609 O SER A 38 12.163 -15.481 -3.570 1.00 0.00 O ATOM 610 CB SER A 38 9.134 -16.774 -3.296 1.00 0.00 C ATOM 611 OG SER A 38 9.027 -16.277 -4.626 1.00 0.00 O ATOM 0 H SER A 38 9.393 -14.267 -3.575 1.00 0.00 H new ATOM 0 HA SER A 38 9.879 -16.152 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.523 -17.792 -3.318 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.143 -16.822 -2.844 1.00 0.00 H new ATOM 0 HG SER A 38 8.341 -15.578 -4.660 1.00 0.00 H new ATOM 617 N GLY A 39 12.118 -17.081 -1.970 1.00 0.00 N ATOM 618 CA GLY A 39 13.522 -17.469 -2.099 1.00 0.00 C ATOM 619 C GLY A 39 13.785 -18.796 -1.403 1.00 0.00 C ATOM 620 O GLY A 39 12.848 -19.576 -1.192 1.00 0.00 O ATOM 0 H GLY A 39 11.615 -17.601 -1.251 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.786 -17.548 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.158 -16.696 -1.668 1.00 0.00 H new ATOM 624 N LYS A 40 15.042 -19.058 -1.037 1.00 0.00 N ATOM 625 CA LYS A 40 15.415 -20.272 -0.310 1.00 0.00 C ATOM 626 C LYS A 40 16.581 -19.976 0.643 1.00 0.00 C ATOM 627 O LYS A 40 17.483 -19.217 0.302 1.00 0.00 O ATOM 628 CB LYS A 40 15.711 -21.453 -1.289 1.00 0.00 C ATOM 629 CG LYS A 40 16.809 -21.229 -2.375 1.00 0.00 C ATOM 630 CD LYS A 40 18.256 -21.472 -1.880 1.00 0.00 C ATOM 631 CE LYS A 40 19.288 -21.414 -3.022 1.00 0.00 C ATOM 632 NZ LYS A 40 20.662 -21.713 -2.542 1.00 0.00 N ATOM 0 H LYS A 40 15.826 -18.437 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 40 14.572 -20.596 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.998 -22.320 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.782 -21.709 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.610 -21.891 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.732 -20.207 -2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.509 -20.725 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.311 -22.446 -1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.011 -22.127 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.270 -20.424 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.327 -21.664 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.936 -21.017 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.686 -22.668 -2.130 1.00 0.00 H new ATOM 646 N ARG A 41 16.543 -20.554 1.848 1.00 0.00 N ATOM 647 CA ARG A 41 17.580 -20.346 2.859 1.00 0.00 C ATOM 648 C ARG A 41 18.475 -21.586 2.942 1.00 0.00 C ATOM 649 O ARG A 41 17.995 -22.732 2.920 1.00 0.00 O ATOM 650 CB ARG A 41 16.960 -20.054 4.249 1.00 0.00 C ATOM 651 CG ARG A 41 17.965 -19.619 5.330 1.00 0.00 C ATOM 652 CD ARG A 41 17.309 -19.439 6.713 1.00 0.00 C ATOM 653 NE ARG A 41 16.184 -18.479 6.696 1.00 0.00 N ATOM 654 CZ ARG A 41 15.863 -17.628 7.686 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.580 -17.571 8.802 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.808 -16.843 7.556 1.00 0.00 N ATOM 0 H ARG A 41 15.793 -21.178 2.148 1.00 0.00 H new ATOM 0 HA ARG A 41 18.174 -19.481 2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.208 -19.273 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.442 -20.949 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.759 -20.362 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.433 -18.682 5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.950 -20.405 7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.061 -19.097 7.424 1.00 0.00 H new ATOM 0 HE ARG A 41 15.600 -18.461 5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.390 -18.180 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.321 -16.919 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.242 -16.885 6.708 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.559 -16.195 8.304 1.00 0.00 H new ATOM 670 N ASP A 42 19.769 -21.321 2.999 1.00 0.00 N ATOM 671 CA ASP A 42 20.805 -22.305 3.257 1.00 0.00 C ATOM 672 C ASP A 42 20.906 -22.534 4.778 1.00 0.00 C ATOM 673 O ASP A 42 21.340 -21.636 5.501 1.00 0.00 O ATOM 674 CB ASP A 42 22.127 -21.758 2.685 1.00 0.00 C ATOM 675 CG ASP A 42 23.306 -22.698 2.854 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.342 -23.736 2.160 1.00 0.00 O ATOM 677 OD2 ASP A 42 24.197 -22.418 3.673 1.00 0.00 O ATOM 0 H ASP A 42 20.140 -20.381 2.862 1.00 0.00 H new ATOM 0 HA ASP A 42 20.578 -23.260 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.993 -21.547 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.358 -20.811 3.172 1.00 0.00 H new ATOM 682 N LEU A 43 20.475 -23.715 5.247 1.00 0.00 N ATOM 683 CA LEU A 43 20.393 -24.035 6.693 1.00 0.00 C ATOM 684 C LEU A 43 21.736 -24.478 7.306 1.00 0.00 C ATOM 685 O LEU A 43 21.791 -24.724 8.520 1.00 0.00 O ATOM 686 CB LEU A 43 19.296 -25.108 6.943 1.00 0.00 C ATOM 687 CG LEU A 43 17.834 -24.639 6.673 1.00 0.00 C ATOM 688 CD1 LEU A 43 16.811 -25.774 6.897 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.493 -23.404 7.535 1.00 0.00 C ATOM 0 H LEU A 43 20.173 -24.478 4.642 1.00 0.00 H new ATOM 0 HA LEU A 43 20.124 -23.108 7.200 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.505 -25.972 6.313 1.00 0.00 H new ATOM 0 HB3 LEU A 43 19.368 -25.443 7.978 1.00 0.00 H new ATOM 0 HG LEU A 43 17.769 -24.356 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.806 -25.402 6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.032 -26.602 6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.872 -26.120 7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.469 -23.091 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.593 -23.658 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 43 18.176 -22.590 7.291 1.00 0.00 H new ATOM 701 N THR A 44 22.809 -24.591 6.491 1.00 0.00 N ATOM 702 CA THR A 44 24.131 -25.022 7.004 1.00 0.00 C ATOM 703 C THR A 44 24.993 -23.808 7.401 1.00 0.00 C ATOM 704 O THR A 44 25.702 -23.857 8.411 1.00 0.00 O ATOM 705 CB THR A 44 24.890 -25.982 6.017 1.00 0.00 C ATOM 706 OG1 THR A 44 26.073 -26.515 6.644 1.00 0.00 O ATOM 707 CG2 THR A 44 25.297 -25.312 4.705 1.00 0.00 C ATOM 0 H THR A 44 22.788 -24.393 5.491 1.00 0.00 H new ATOM 0 HA THR A 44 23.943 -25.609 7.903 1.00 0.00 H new ATOM 0 HB THR A 44 24.183 -26.776 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 44 26.534 -27.112 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.816 -26.033 4.074 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.407 -24.952 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 44 25.959 -24.472 4.915 1.00 0.00 H new ATOM 715 N ASN A 45 24.909 -22.709 6.628 1.00 0.00 N ATOM 716 CA ASN A 45 25.617 -21.444 6.938 1.00 0.00 C ATOM 717 C ASN A 45 24.652 -20.464 7.626 1.00 0.00 C ATOM 718 O ASN A 45 25.071 -19.614 8.426 1.00 0.00 O ATOM 719 CB ASN A 45 26.196 -20.836 5.633 1.00 0.00 C ATOM 720 CG ASN A 45 27.064 -19.584 5.839 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.278 -19.677 6.020 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.454 -18.399 5.803 1.00 0.00 N ATOM 0 H ASN A 45 24.352 -22.668 5.774 1.00 0.00 H new ATOM 0 HA ASN A 45 26.444 -21.643 7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.792 -21.596 5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 45 25.370 -20.584 4.968 1.00 0.00 H new ATOM 0 HD21 ASN A 45 26.995 -17.543 5.927 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.447 -18.348 5.651 1.00 0.00 H new ATOM 729 N GLY A 46 23.351 -20.608 7.314 1.00 0.00 N ATOM 730 CA GLY A 46 22.295 -19.774 7.912 1.00 0.00 C ATOM 731 C GLY A 46 22.114 -18.479 7.150 1.00 0.00 C ATOM 732 O GLY A 46 21.850 -17.424 7.735 1.00 0.00 O ATOM 0 H GLY A 46 23.006 -21.298 6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.355 -20.326 7.922 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.547 -19.555 8.950 1.00 0.00 H new ATOM 736 N LYS A 47 22.248 -18.571 5.823 1.00 0.00 N ATOM 737 CA LYS A 47 22.194 -17.413 4.918 1.00 0.00 C ATOM 738 C LYS A 47 20.956 -17.511 4.028 1.00 0.00 C ATOM 739 O LYS A 47 20.590 -18.603 3.589 1.00 0.00 O ATOM 740 CB LYS A 47 23.482 -17.343 4.062 1.00 0.00 C ATOM 741 CG LYS A 47 23.808 -18.630 3.265 1.00 0.00 C ATOM 742 CD LYS A 47 25.031 -18.463 2.334 1.00 0.00 C ATOM 743 CE LYS A 47 24.799 -17.414 1.238 1.00 0.00 C ATOM 744 NZ LYS A 47 26.001 -17.229 0.385 1.00 0.00 N ATOM 0 H LYS A 47 22.398 -19.457 5.341 1.00 0.00 H new ATOM 0 HA LYS A 47 22.128 -16.499 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.390 -16.513 3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.324 -17.116 4.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.997 -19.446 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.940 -18.913 2.670 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.899 -18.177 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.264 -19.422 1.871 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.956 -17.718 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 47 24.530 -16.463 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 25.803 -16.513 -0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 26.799 -16.914 0.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 26.243 -18.130 -0.074 1.00 0.00 H new ATOM 758 N GLU A 48 20.312 -16.370 3.782 1.00 0.00 N ATOM 759 CA GLU A 48 19.089 -16.290 2.970 1.00 0.00 C ATOM 760 C GLU A 48 19.434 -15.892 1.532 1.00 0.00 C ATOM 761 O GLU A 48 20.042 -14.842 1.298 1.00 0.00 O ATOM 762 CB GLU A 48 18.116 -15.273 3.603 1.00 0.00 C ATOM 763 CG GLU A 48 17.589 -15.690 4.994 1.00 0.00 C ATOM 764 CD GLU A 48 16.737 -14.606 5.674 1.00 0.00 C ATOM 765 OE1 GLU A 48 17.310 -13.624 6.193 1.00 0.00 O ATOM 766 OE2 GLU A 48 15.497 -14.722 5.684 1.00 0.00 O ATOM 0 H GLU A 48 20.623 -15.467 4.141 1.00 0.00 H new ATOM 0 HA GLU A 48 18.607 -17.267 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.619 -14.310 3.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.269 -15.130 2.932 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.995 -16.598 4.892 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.435 -15.933 5.637 1.00 0.00 H new ATOM 773 N ILE A 49 19.058 -16.758 0.574 1.00 0.00 N ATOM 774 CA ILE A 49 19.260 -16.525 -0.855 1.00 0.00 C ATOM 775 C ILE A 49 17.915 -16.064 -1.437 1.00 0.00 C ATOM 776 O ILE A 49 17.011 -16.882 -1.662 1.00 0.00 O ATOM 777 CB ILE A 49 19.802 -17.806 -1.625 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.187 -18.297 -1.051 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.910 -17.541 -3.147 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.106 -19.086 0.246 1.00 0.00 C ATOM 0 H ILE A 49 18.601 -17.647 0.779 1.00 0.00 H new ATOM 0 HA ILE A 49 20.030 -15.764 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 49 19.076 -18.603 -1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.676 -18.915 -1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.824 -17.428 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 49 20.283 -18.435 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.926 -17.288 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.596 -16.713 -3.324 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.109 -19.378 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.651 -18.468 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.500 -19.979 0.092 1.00 0.00 H new ATOM 792 N TRP A 50 17.764 -14.742 -1.577 1.00 0.00 N ATOM 793 CA TRP A 50 16.591 -14.127 -2.208 1.00 0.00 C ATOM 794 C TRP A 50 16.868 -13.934 -3.694 1.00 0.00 C ATOM 795 O TRP A 50 17.994 -13.585 -4.062 1.00 0.00 O ATOM 796 CB TRP A 50 16.295 -12.757 -1.555 1.00 0.00 C ATOM 797 CG TRP A 50 16.110 -12.830 -0.066 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.004 -12.471 0.898 1.00 0.00 C ATOM 799 CD2 TRP A 50 14.964 -13.327 0.619 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.469 -12.681 2.139 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.216 -13.199 1.995 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.741 -13.840 0.201 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.293 -13.580 2.949 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.830 -14.218 1.150 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.104 -14.078 2.511 1.00 0.00 C ATOM 0 H TRP A 50 18.456 -14.065 -1.254 1.00 0.00 H new ATOM 0 HA TRP A 50 15.726 -14.777 -2.074 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.114 -12.073 -1.778 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.396 -12.336 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.992 -12.078 0.709 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.931 -12.483 3.026 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.515 -13.938 -0.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.506 -13.486 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.882 -14.632 0.840 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.356 -14.371 3.233 1.00 0.00 H new ATOM 816 N ASP A 51 15.856 -14.157 -4.539 1.00 0.00 N ATOM 817 CA ASP A 51 15.971 -13.947 -5.995 1.00 0.00 C ATOM 818 C ASP A 51 16.095 -12.437 -6.294 1.00 0.00 C ATOM 819 O ASP A 51 15.176 -11.668 -5.996 1.00 0.00 O ATOM 820 CB ASP A 51 14.753 -14.565 -6.724 1.00 0.00 C ATOM 821 CG ASP A 51 14.914 -14.593 -8.261 1.00 0.00 C ATOM 822 OD1 ASP A 51 15.467 -15.577 -8.800 1.00 0.00 O ATOM 823 OD2 ASP A 51 14.506 -13.636 -8.944 1.00 0.00 O ATOM 0 H ASP A 51 14.938 -14.486 -4.240 1.00 0.00 H new ATOM 0 HA ASP A 51 16.868 -14.446 -6.363 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.599 -15.582 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.858 -13.997 -6.469 1.00 0.00 H new ATOM 828 N SER A 52 17.248 -12.029 -6.861 1.00 0.00 N ATOM 829 CA SER A 52 17.580 -10.614 -7.114 1.00 0.00 C ATOM 830 C SER A 52 16.658 -9.998 -8.171 1.00 0.00 C ATOM 831 O SER A 52 16.379 -8.799 -8.146 1.00 0.00 O ATOM 832 CB SER A 52 19.053 -10.495 -7.566 1.00 0.00 C ATOM 833 OG SER A 52 19.284 -11.242 -8.748 1.00 0.00 O ATOM 0 H SER A 52 17.979 -12.676 -7.158 1.00 0.00 H new ATOM 0 HA SER A 52 17.435 -10.064 -6.184 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.300 -9.448 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.710 -10.851 -6.773 1.00 0.00 H new ATOM 0 HG SER A 52 20.222 -11.150 -9.015 1.00 0.00 H new ATOM 839 N LYS A 53 16.199 -10.836 -9.098 1.00 0.00 N ATOM 840 CA LYS A 53 15.345 -10.418 -10.226 1.00 0.00 C ATOM 841 C LYS A 53 13.871 -10.285 -9.789 1.00 0.00 C ATOM 842 O LYS A 53 13.066 -9.669 -10.499 1.00 0.00 O ATOM 843 CB LYS A 53 15.477 -11.468 -11.357 1.00 0.00 C ATOM 844 CG LYS A 53 16.926 -11.717 -11.847 1.00 0.00 C ATOM 845 CD LYS A 53 17.083 -12.976 -12.750 1.00 0.00 C ATOM 846 CE LYS A 53 16.960 -14.321 -11.987 1.00 0.00 C ATOM 847 NZ LYS A 53 15.576 -14.636 -11.528 1.00 0.00 N ATOM 0 H LYS A 53 16.407 -11.835 -9.094 1.00 0.00 H new ATOM 0 HA LYS A 53 15.670 -9.440 -10.581 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.059 -12.412 -11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.872 -11.146 -12.205 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.267 -10.842 -12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.579 -11.821 -10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.326 -12.945 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.054 -12.938 -13.243 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.309 -15.126 -12.633 1.00 0.00 H new ATOM 0 HE3 LYS A 53 17.622 -14.297 -11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.461 -15.667 -11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.412 -14.202 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.889 -14.259 -12.212 1.00 0.00 H new ATOM 861 N TRP A 54 13.530 -10.876 -8.618 1.00 0.00 N ATOM 862 CA TRP A 54 12.146 -10.948 -8.128 1.00 0.00 C ATOM 863 C TRP A 54 11.550 -9.547 -7.881 1.00 0.00 C ATOM 864 O TRP A 54 12.193 -8.684 -7.280 1.00 0.00 O ATOM 865 CB TRP A 54 12.045 -11.811 -6.840 1.00 0.00 C ATOM 866 CG TRP A 54 10.618 -12.102 -6.413 1.00 0.00 C ATOM 867 CD1 TRP A 54 9.859 -11.412 -5.504 1.00 0.00 C ATOM 868 CD2 TRP A 54 9.780 -13.155 -6.909 1.00 0.00 C ATOM 869 NE1 TRP A 54 8.613 -11.975 -5.407 1.00 0.00 N ATOM 870 CE2 TRP A 54 8.538 -13.043 -6.259 1.00 0.00 C ATOM 871 CE3 TRP A 54 9.963 -14.183 -7.840 1.00 0.00 C ATOM 872 CZ2 TRP A 54 7.486 -13.913 -6.515 1.00 0.00 C ATOM 873 CZ3 TRP A 54 8.917 -15.047 -8.092 1.00 0.00 C ATOM 874 CH2 TRP A 54 7.692 -14.908 -7.430 1.00 0.00 C ATOM 0 H TRP A 54 14.209 -11.312 -7.994 1.00 0.00 H new ATOM 0 HA TRP A 54 11.560 -11.428 -8.912 1.00 0.00 H new ATOM 0 HB2 TRP A 54 12.566 -12.754 -7.003 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.561 -11.298 -6.028 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.194 -10.550 -4.946 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.862 -11.650 -4.798 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.907 -14.298 -8.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.538 -13.807 -6.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.046 -15.843 -8.811 1.00 0.00 H new ATOM 0 HH2 TRP A 54 6.893 -15.601 -7.646 1.00 0.00 H new ATOM 885 N SER A 55 10.332 -9.352 -8.395 1.00 0.00 N ATOM 886 CA SER A 55 9.521 -8.152 -8.193 1.00 0.00 C ATOM 887 C SER A 55 8.052 -8.530 -8.372 1.00 0.00 C ATOM 888 O SER A 55 7.728 -9.402 -9.187 1.00 0.00 O ATOM 889 CB SER A 55 9.929 -7.034 -9.185 1.00 0.00 C ATOM 890 OG SER A 55 10.012 -7.513 -10.514 1.00 0.00 O ATOM 0 H SER A 55 9.871 -10.048 -8.981 1.00 0.00 H new ATOM 0 HA SER A 55 9.682 -7.763 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.203 -6.222 -9.136 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.892 -6.619 -8.888 1.00 0.00 H new ATOM 0 HG SER A 55 10.270 -6.780 -11.111 1.00 0.00 H new ATOM 896 N LEU A 56 7.169 -7.907 -7.595 1.00 0.00 N ATOM 897 CA LEU A 56 5.716 -8.099 -7.712 1.00 0.00 C ATOM 898 C LEU A 56 5.049 -6.757 -8.029 1.00 0.00 C ATOM 899 O LEU A 56 5.335 -5.753 -7.370 1.00 0.00 O ATOM 900 CB LEU A 56 5.140 -8.704 -6.408 1.00 0.00 C ATOM 901 CG LEU A 56 5.582 -10.162 -6.076 1.00 0.00 C ATOM 902 CD1 LEU A 56 5.064 -10.595 -4.693 1.00 0.00 C ATOM 903 CD2 LEU A 56 5.129 -11.158 -7.172 1.00 0.00 C ATOM 0 H LEU A 56 7.437 -7.251 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 56 5.511 -8.798 -8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.426 -8.061 -5.576 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.052 -8.681 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 56 6.672 -10.175 -6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.387 -11.616 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.463 -9.927 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.975 -10.549 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.455 -12.164 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.042 -11.138 -7.255 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.571 -10.874 -8.127 1.00 0.00 H new ATOM 915 N THR A 57 4.193 -6.753 -9.061 1.00 0.00 N ATOM 916 CA THR A 57 3.379 -5.593 -9.441 1.00 0.00 C ATOM 917 C THR A 57 1.932 -5.867 -9.026 1.00 0.00 C ATOM 918 O THR A 57 1.351 -6.859 -9.471 1.00 0.00 O ATOM 919 CB THR A 57 3.440 -5.340 -10.985 1.00 0.00 C ATOM 920 OG1 THR A 57 4.808 -5.331 -11.421 1.00 0.00 O ATOM 921 CG2 THR A 57 2.764 -4.012 -11.395 1.00 0.00 C ATOM 0 H THR A 57 4.046 -7.565 -9.661 1.00 0.00 H new ATOM 0 HA THR A 57 3.766 -4.705 -8.940 1.00 0.00 H new ATOM 0 HB THR A 57 2.892 -6.150 -11.465 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.842 -5.174 -12.388 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.835 -3.886 -12.475 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.715 -4.031 -11.100 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.265 -3.181 -10.899 1.00 0.00 H new ATOM 929 N GLN A 58 1.370 -5.018 -8.154 1.00 0.00 N ATOM 930 CA GLN A 58 -0.012 -5.147 -7.660 1.00 0.00 C ATOM 931 C GLN A 58 -0.667 -3.768 -7.654 1.00 0.00 C ATOM 932 O GLN A 58 0.003 -2.769 -7.388 1.00 0.00 O ATOM 933 CB GLN A 58 -0.029 -5.774 -6.238 1.00 0.00 C ATOM 934 CG GLN A 58 0.433 -7.242 -6.182 1.00 0.00 C ATOM 935 CD GLN A 58 0.685 -7.782 -4.774 1.00 0.00 C ATOM 936 OE1 GLN A 58 0.059 -7.365 -3.797 1.00 0.00 O ATOM 937 NE2 GLN A 58 1.612 -8.730 -4.664 1.00 0.00 N ATOM 0 H GLN A 58 1.865 -4.214 -7.767 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.574 -5.810 -8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.610 -5.180 -5.585 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.041 -5.709 -5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.321 -7.864 -6.665 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.349 -7.342 -6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.112 -9.053 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.823 -9.134 -3.751 1.00 0.00 H new ATOM 946 N THR A 59 -1.973 -3.720 -7.941 1.00 0.00 N ATOM 947 CA THR A 59 -2.716 -2.463 -8.084 1.00 0.00 C ATOM 948 C THR A 59 -3.493 -2.124 -6.805 1.00 0.00 C ATOM 949 O THR A 59 -4.277 -2.949 -6.320 1.00 0.00 O ATOM 950 CB THR A 59 -3.735 -2.552 -9.270 1.00 0.00 C ATOM 951 OG1 THR A 59 -3.079 -3.071 -10.428 1.00 0.00 O ATOM 952 CG2 THR A 59 -4.349 -1.178 -9.614 1.00 0.00 C ATOM 0 H THR A 59 -2.545 -4.553 -8.081 1.00 0.00 H new ATOM 0 HA THR A 59 -1.982 -1.681 -8.280 1.00 0.00 H new ATOM 0 HB THR A 59 -4.543 -3.214 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.718 -3.128 -11.168 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.049 -1.289 -10.442 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.876 -0.787 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.556 -0.487 -9.900 1.00 0.00 H new ATOM 960 N PHE A 60 -3.241 -0.930 -6.239 1.00 0.00 N ATOM 961 CA PHE A 60 -4.189 -0.298 -5.312 1.00 0.00 C ATOM 962 C PHE A 60 -5.463 0.035 -6.100 1.00 0.00 C ATOM 963 O PHE A 60 -5.368 0.638 -7.167 1.00 0.00 O ATOM 964 CB PHE A 60 -3.599 0.979 -4.660 1.00 0.00 C ATOM 965 CG PHE A 60 -2.569 0.680 -3.578 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.974 0.149 -2.358 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.215 0.922 -3.768 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.062 -0.147 -1.369 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.301 0.627 -2.775 1.00 0.00 C ATOM 970 CZ PHE A 60 -0.728 0.101 -1.577 1.00 0.00 C ATOM 0 H PHE A 60 -2.393 -0.388 -6.408 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.410 -0.986 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.137 1.593 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.410 1.566 -4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.024 -0.035 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.873 1.345 -4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.395 -0.572 -0.434 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.751 0.810 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.012 -0.117 -0.799 1.00 0.00 H new ATOM 980 N GLU A 61 -6.626 -0.391 -5.587 1.00 0.00 N ATOM 981 CA GLU A 61 -7.917 -0.266 -6.290 1.00 0.00 C ATOM 982 C GLU A 61 -9.078 -0.646 -5.368 1.00 0.00 C ATOM 983 O GLU A 61 -8.870 -1.179 -4.280 1.00 0.00 O ATOM 984 CB GLU A 61 -7.952 -1.169 -7.555 1.00 0.00 C ATOM 985 CG GLU A 61 -7.774 -2.676 -7.265 1.00 0.00 C ATOM 986 CD GLU A 61 -7.946 -3.554 -8.506 1.00 0.00 C ATOM 987 OE1 GLU A 61 -7.021 -3.619 -9.339 1.00 0.00 O ATOM 988 OE2 GLU A 61 -9.018 -4.172 -8.668 1.00 0.00 O ATOM 0 H GLU A 61 -6.701 -0.833 -4.671 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.024 0.776 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.902 -1.019 -8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.167 -0.847 -8.239 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.783 -2.844 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.497 -2.982 -6.509 1.00 0.00 H new ATOM 995 N ALA A 62 -10.296 -0.338 -5.835 1.00 0.00 N ATOM 996 CA ALA A 62 -11.570 -0.755 -5.225 1.00 0.00 C ATOM 997 C ALA A 62 -11.832 -0.104 -3.854 1.00 0.00 C ATOM 998 O ALA A 62 -12.747 -0.536 -3.147 1.00 0.00 O ATOM 999 CB ALA A 62 -11.675 -2.295 -5.153 1.00 0.00 C ATOM 0 H ALA A 62 -10.428 0.226 -6.674 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.359 -0.389 -5.882 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.626 -2.574 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.618 -2.711 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.856 -2.688 -4.551 1.00 0.00 H new ATOM 1005 N LEU A 63 -11.070 0.958 -3.517 1.00 0.00 N ATOM 1006 CA LEU A 63 -11.236 1.718 -2.262 1.00 0.00 C ATOM 1007 C LEU A 63 -12.627 2.368 -2.228 1.00 0.00 C ATOM 1008 O LEU A 63 -12.876 3.257 -3.045 1.00 0.00 O ATOM 1009 CB LEU A 63 -10.147 2.833 -2.109 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.771 2.413 -1.505 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -8.949 1.890 -0.059 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -8.031 1.395 -2.401 1.00 0.00 C ATOM 0 H LEU A 63 -10.320 1.313 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.125 1.016 -1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.965 3.264 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.561 3.625 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.139 3.300 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.979 1.602 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.382 2.675 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.612 1.024 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.078 1.131 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.641 0.498 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.851 1.836 -3.381 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.547 1.942 -1.301 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.874 2.573 -1.164 1.00 0.00 C ATOM 1026 C PRO A 64 -14.740 3.994 -0.584 1.00 0.00 C ATOM 1027 O PRO A 64 -13.678 4.354 -0.066 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.621 1.610 -0.205 1.00 0.00 C ATOM 1029 CG PRO A 64 -14.542 0.993 0.618 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.359 0.842 -0.311 1.00 0.00 C ATOM 0 HA PRO A 64 -15.402 2.705 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.338 2.146 0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.180 0.855 -0.757 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.292 1.622 1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -14.855 0.027 1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -12.414 0.941 0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.351 -0.135 -0.794 1.00 0.00 H new ATOM 1038 N SER A 65 -15.807 4.788 -0.664 1.00 0.00 N ATOM 1039 CA SER A 65 -15.792 6.189 -0.214 1.00 0.00 C ATOM 1040 C SER A 65 -17.235 6.609 0.116 1.00 0.00 C ATOM 1041 O SER A 65 -18.111 6.453 -0.748 1.00 0.00 O ATOM 1042 CB SER A 65 -15.168 7.076 -1.327 1.00 0.00 C ATOM 1043 OG SER A 65 -14.895 8.389 -0.887 1.00 0.00 O ATOM 0 H SER A 65 -16.705 4.485 -1.040 1.00 0.00 H new ATOM 0 HA SER A 65 -15.185 6.309 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.245 6.615 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.848 7.116 -2.178 1.00 0.00 H new ATOM 0 HG SER A 65 -15.466 8.602 -0.120 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.537 7.087 1.376 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.914 7.470 1.769 1.00 0.00 C ATOM 1051 C PRO A 66 -19.452 8.643 0.919 1.00 0.00 C ATOM 1052 O PRO A 66 -18.803 9.692 0.819 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.771 7.861 3.268 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.325 8.181 3.459 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.581 7.269 2.512 1.00 0.00 C ATOM 0 HA PRO A 66 -19.633 6.666 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.398 8.718 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.082 7.043 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.122 9.228 3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.018 8.010 4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.643 7.715 2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.332 6.318 2.983 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.624 8.441 0.282 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.288 9.498 -0.495 1.00 0.00 C ATOM 1065 C VAL A 67 -21.964 10.453 0.502 1.00 0.00 C ATOM 1066 O VAL A 67 -23.004 10.115 1.087 1.00 0.00 O ATOM 1067 CB VAL A 67 -22.357 8.894 -1.491 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -23.015 9.997 -2.354 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.735 7.790 -2.382 1.00 0.00 C ATOM 0 H VAL A 67 -21.127 7.554 0.293 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.553 10.029 -1.100 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.140 8.435 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.744 9.546 -3.027 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.516 10.716 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -22.249 10.507 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.495 7.395 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.917 8.212 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.355 6.986 -1.752 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.362 11.633 0.700 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.823 12.608 1.692 1.00 0.00 C ATOM 1081 C ILE A 68 -22.607 13.715 0.962 1.00 0.00 C ATOM 1082 O ILE A 68 -22.033 14.465 0.156 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.612 13.216 2.507 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.693 12.079 3.070 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.128 14.112 3.658 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.491 12.552 3.877 1.00 0.00 C ATOM 0 H ILE A 68 -20.541 11.937 0.176 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.472 12.111 2.413 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.020 13.829 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.297 11.425 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.335 11.477 2.235 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.281 14.522 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.722 14.928 3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.745 13.519 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.921 11.689 4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.857 13.180 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -18.834 13.126 4.738 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.920 13.788 1.228 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.831 14.707 0.539 1.00 0.00 C ATOM 1100 C ILE A 69 -24.629 16.141 1.070 1.00 0.00 C ATOM 1101 O ILE A 69 -24.536 16.352 2.284 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.330 14.240 0.699 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.498 12.740 0.265 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.300 15.145 -0.097 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.084 12.419 -1.174 1.00 0.00 C ATOM 0 H ILE A 69 -24.379 13.208 1.930 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.601 14.699 -0.526 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.585 14.328 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.912 12.117 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.543 12.457 0.396 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.322 14.791 0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.220 16.170 0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.042 15.112 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.240 11.358 -1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.686 13.008 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.031 12.662 -1.312 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.561 17.106 0.148 1.00 0.00 N ATOM 1118 CA GLY A 70 -24.161 18.477 0.457 1.00 0.00 C ATOM 1119 C GLY A 70 -22.651 18.657 0.396 1.00 0.00 C ATOM 1120 O GLY A 70 -22.135 19.732 0.716 1.00 0.00 O ATOM 0 H GLY A 70 -24.783 16.955 -0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.636 19.161 -0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.518 18.744 1.452 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.930 17.596 -0.006 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.464 17.591 -0.109 1.00 0.00 C ATOM 1126 C TYR A 71 -20.025 16.956 -1.435 1.00 0.00 C ATOM 1127 O TYR A 71 -20.828 16.334 -2.140 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.826 16.861 1.109 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.991 17.629 2.447 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -21.148 17.499 3.225 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -19.004 18.501 2.909 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -21.306 18.200 4.397 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -19.168 19.208 4.080 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.314 19.048 4.822 1.00 0.00 C ATOM 1135 OH TYR A 71 -20.480 19.753 5.987 1.00 0.00 O ATOM 0 H TYR A 71 -22.356 16.708 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 71 -20.110 18.622 -0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -20.277 15.874 1.208 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.764 16.708 0.916 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -21.933 16.834 2.897 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -18.095 18.624 2.338 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -22.207 18.084 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -18.397 19.887 4.414 1.00 0.00 H new ATOM 0 HH TYR A 71 -19.688 20.307 6.150 1.00 0.00 H new ATOM 1145 N THR A 72 -18.744 17.129 -1.752 1.00 0.00 N ATOM 1146 CA THR A 72 -18.118 16.650 -2.982 1.00 0.00 C ATOM 1147 C THR A 72 -16.616 16.505 -2.699 1.00 0.00 C ATOM 1148 O THR A 72 -15.957 17.498 -2.357 1.00 0.00 O ATOM 1149 CB THR A 72 -18.371 17.646 -4.185 1.00 0.00 C ATOM 1150 OG1 THR A 72 -19.775 17.723 -4.486 1.00 0.00 O ATOM 1151 CG2 THR A 72 -17.624 17.243 -5.469 1.00 0.00 C ATOM 0 H THR A 72 -18.093 17.622 -1.141 1.00 0.00 H new ATOM 0 HA THR A 72 -18.550 15.694 -3.277 1.00 0.00 H new ATOM 0 HB THR A 72 -17.989 18.613 -3.858 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.911 17.594 -5.448 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.838 17.965 -6.257 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.551 17.225 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.952 16.253 -5.785 1.00 0.00 H new ATOM 1159 N ALA A 73 -16.092 15.267 -2.795 1.00 0.00 N ATOM 1160 CA ALA A 73 -14.684 14.975 -2.487 1.00 0.00 C ATOM 1161 C ALA A 73 -13.750 15.458 -3.598 1.00 0.00 C ATOM 1162 O ALA A 73 -14.140 15.559 -4.760 1.00 0.00 O ATOM 1163 CB ALA A 73 -14.479 13.475 -2.245 1.00 0.00 C ATOM 0 H ALA A 73 -16.630 14.450 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.434 15.519 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.430 13.283 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.096 13.154 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -14.765 12.920 -3.138 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.516 15.768 -3.201 1.00 0.00 N ATOM 1170 CA ASP A 74 -11.414 16.152 -4.102 1.00 0.00 C ATOM 1171 C ASP A 74 -10.889 14.906 -4.839 1.00 0.00 C ATOM 1172 O ASP A 74 -10.342 14.988 -5.944 1.00 0.00 O ATOM 1173 CB ASP A 74 -10.296 16.823 -3.256 1.00 0.00 C ATOM 1174 CG ASP A 74 -9.079 17.287 -4.071 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.244 18.098 -5.009 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -7.946 16.838 -3.791 1.00 0.00 O ATOM 0 H ASP A 74 -12.241 15.761 -2.219 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.761 16.861 -4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.718 17.682 -2.734 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.961 16.119 -2.494 1.00 0.00 H new ATOM 1181 N LYS A 75 -11.067 13.751 -4.180 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.788 12.429 -4.734 1.00 0.00 C ATOM 1183 C LYS A 75 -11.763 11.403 -4.094 1.00 0.00 C ATOM 1184 O LYS A 75 -11.522 10.910 -2.991 1.00 0.00 O ATOM 1185 CB LYS A 75 -9.289 12.030 -4.522 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.738 12.221 -3.074 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.934 13.527 -2.875 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.666 13.560 -3.733 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.872 14.795 -3.520 1.00 0.00 N ATOM 0 H LYS A 75 -11.418 13.716 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.949 12.441 -5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.167 10.984 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.675 12.617 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.573 12.210 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.101 11.373 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.563 14.381 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.663 13.629 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.051 12.691 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.940 13.484 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.132 14.861 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.496 15.624 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.431 14.766 -2.579 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.944 11.127 -4.743 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.912 10.120 -4.245 1.00 0.00 C ATOM 1205 C PRO A 76 -13.554 8.686 -4.681 1.00 0.00 C ATOM 1206 O PRO A 76 -14.309 7.755 -4.419 1.00 0.00 O ATOM 1207 CB PRO A 76 -15.240 10.599 -4.873 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.843 11.220 -6.177 1.00 0.00 C ATOM 1209 CD PRO A 76 -13.450 11.796 -5.979 1.00 0.00 C ATOM 0 HA PRO A 76 -13.939 10.058 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.929 9.768 -5.024 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.745 11.319 -4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.845 10.478 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -15.547 12.000 -6.465 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.808 11.587 -6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -13.481 12.879 -5.860 1.00 0.00 H new ATOM 1217 N MET A 77 -12.406 8.520 -5.372 1.00 0.00 N ATOM 1218 CA MET A 77 -11.924 7.206 -5.835 1.00 0.00 C ATOM 1219 C MET A 77 -10.380 7.173 -5.828 1.00 0.00 C ATOM 1220 O MET A 77 -9.734 7.355 -6.870 1.00 0.00 O ATOM 1221 CB MET A 77 -12.502 6.887 -7.256 1.00 0.00 C ATOM 1222 CG MET A 77 -12.187 5.478 -7.782 1.00 0.00 C ATOM 1223 SD MET A 77 -12.979 5.121 -9.374 1.00 0.00 S ATOM 1224 CE MET A 77 -12.418 3.444 -9.701 1.00 0.00 C ATOM 0 H MET A 77 -11.790 9.293 -5.623 1.00 0.00 H new ATOM 0 HA MET A 77 -12.277 6.433 -5.152 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.584 7.015 -7.229 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.112 7.619 -7.963 1.00 0.00 H new ATOM 0 HG2 MET A 77 -11.108 5.369 -7.887 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.512 4.741 -7.048 1.00 0.00 H new ATOM 0 HE1 MET A 77 -12.831 3.101 -10.650 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.329 3.428 -9.752 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.753 2.785 -8.900 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.792 6.994 -4.628 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.329 6.794 -4.471 1.00 0.00 C ATOM 1236 C VAL A 78 -7.997 5.313 -4.674 1.00 0.00 C ATOM 1237 O VAL A 78 -8.855 4.453 -4.481 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.812 7.284 -3.062 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.258 7.235 -2.941 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.336 8.691 -2.772 1.00 0.00 C ATOM 0 H VAL A 78 -10.307 6.983 -3.747 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.821 7.396 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.202 6.593 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.959 7.583 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.914 6.211 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.813 7.877 -3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.974 9.020 -1.798 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.982 9.377 -3.542 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.426 8.680 -2.769 1.00 0.00 H new ATOM 1250 N GLY A 79 -6.774 5.031 -5.118 1.00 0.00 N ATOM 1251 CA GLY A 79 -6.308 3.677 -5.384 1.00 0.00 C ATOM 1252 C GLY A 79 -5.676 3.559 -6.767 1.00 0.00 C ATOM 1253 O GLY A 79 -4.463 3.664 -6.856 1.00 0.00 O ATOM 0 H GLY A 79 -6.072 5.747 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.581 3.387 -4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.144 2.982 -5.306 1.00 0.00 H new ATOM 1257 N PRO A 80 -6.511 3.404 -7.868 1.00 0.00 N ATOM 1258 CA PRO A 80 -6.092 2.911 -9.214 1.00 0.00 C ATOM 1259 C PRO A 80 -4.642 3.245 -9.671 1.00 0.00 C ATOM 1260 O PRO A 80 -4.432 4.191 -10.436 1.00 0.00 O ATOM 1261 CB PRO A 80 -7.152 3.565 -10.145 1.00 0.00 C ATOM 1262 CG PRO A 80 -8.403 3.615 -9.327 1.00 0.00 C ATOM 1263 CD PRO A 80 -7.969 3.730 -7.870 1.00 0.00 C ATOM 0 HA PRO A 80 -6.057 1.822 -9.224 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.843 4.563 -10.456 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.296 2.979 -11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -9.020 4.466 -9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.003 2.719 -9.482 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -8.149 4.733 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.527 3.040 -7.237 1.00 0.00 H new ATOM 1271 N ASP A 81 -3.652 2.477 -9.153 1.00 0.00 N ATOM 1272 CA ASP A 81 -2.246 2.549 -9.603 1.00 0.00 C ATOM 1273 C ASP A 81 -1.503 1.281 -9.179 1.00 0.00 C ATOM 1274 O ASP A 81 -1.765 0.716 -8.109 1.00 0.00 O ATOM 1275 CB ASP A 81 -1.504 3.822 -9.081 1.00 0.00 C ATOM 1276 CG ASP A 81 -0.974 3.741 -7.627 1.00 0.00 C ATOM 1277 OD1 ASP A 81 0.170 3.285 -7.421 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -1.688 4.150 -6.689 1.00 0.00 O ATOM 0 H ASP A 81 -3.809 1.793 -8.413 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.257 2.624 -10.690 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.663 4.028 -9.744 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.183 4.672 -9.154 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.590 0.843 -10.045 1.00 0.00 N ATOM 1284 CA GLU A 82 0.233 -0.350 -9.819 1.00 0.00 C ATOM 1285 C GLU A 82 1.563 0.013 -9.130 1.00 0.00 C ATOM 1286 O GLU A 82 2.345 0.806 -9.659 1.00 0.00 O ATOM 1287 CB GLU A 82 0.503 -1.085 -11.154 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.766 -1.443 -11.950 1.00 0.00 C ATOM 1289 CD GLU A 82 -0.503 -2.430 -13.094 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -0.541 -3.653 -12.856 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -0.260 -1.998 -14.239 1.00 0.00 O ATOM 0 H GLU A 82 -0.397 1.309 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.320 -1.017 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.143 -0.460 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.057 -2.000 -10.945 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.504 -1.871 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.200 -0.531 -12.359 1.00 0.00 H new ATOM 1298 N VAL A 83 1.791 -0.566 -7.948 1.00 0.00 N ATOM 1299 CA VAL A 83 3.062 -0.483 -7.221 1.00 0.00 C ATOM 1300 C VAL A 83 3.863 -1.769 -7.464 1.00 0.00 C ATOM 1301 O VAL A 83 3.327 -2.872 -7.302 1.00 0.00 O ATOM 1302 CB VAL A 83 2.800 -0.276 -5.681 1.00 0.00 C ATOM 1303 CG1 VAL A 83 4.104 -0.304 -4.839 1.00 0.00 C ATOM 1304 CG2 VAL A 83 2.029 1.037 -5.460 1.00 0.00 C ATOM 0 H VAL A 83 1.084 -1.116 -7.460 1.00 0.00 H new ATOM 0 HA VAL A 83 3.634 0.371 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 83 2.198 -1.115 -5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.861 -0.156 -3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.598 -1.267 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.770 0.492 -5.173 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.849 1.178 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.616 1.872 -5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.076 0.992 -5.986 1.00 0.00 H new ATOM 1314 N THR A 84 5.133 -1.622 -7.876 1.00 0.00 N ATOM 1315 CA THR A 84 6.060 -2.749 -8.033 1.00 0.00 C ATOM 1316 C THR A 84 7.132 -2.667 -6.950 1.00 0.00 C ATOM 1317 O THR A 84 7.962 -1.751 -6.956 1.00 0.00 O ATOM 1318 CB THR A 84 6.733 -2.762 -9.449 1.00 0.00 C ATOM 1319 OG1 THR A 84 5.726 -2.696 -10.464 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.588 -4.021 -9.681 1.00 0.00 C ATOM 0 H THR A 84 5.543 -0.718 -8.109 1.00 0.00 H new ATOM 0 HA THR A 84 5.491 -3.674 -7.935 1.00 0.00 H new ATOM 0 HB THR A 84 7.390 -1.894 -9.498 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.484 -3.603 -10.744 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.032 -3.981 -10.676 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.379 -4.067 -8.932 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.959 -4.908 -9.599 1.00 0.00 H new ATOM 1328 N VAL A 85 7.080 -3.591 -5.990 1.00 0.00 N ATOM 1329 CA VAL A 85 8.140 -3.749 -4.999 1.00 0.00 C ATOM 1330 C VAL A 85 9.087 -4.854 -5.484 1.00 0.00 C ATOM 1331 O VAL A 85 8.709 -6.037 -5.569 1.00 0.00 O ATOM 1332 CB VAL A 85 7.536 -4.077 -3.585 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.634 -4.307 -2.524 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.579 -2.947 -3.149 1.00 0.00 C ATOM 0 H VAL A 85 6.306 -4.246 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 85 8.698 -2.819 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 85 6.977 -5.009 -3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.170 -4.530 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.263 -5.144 -2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.245 -3.409 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.164 -3.180 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.127 -2.006 -3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.770 -2.856 -3.873 1.00 0.00 H new ATOM 1344 N ASP A 86 10.295 -4.420 -5.855 1.00 0.00 N ATOM 1345 CA ASP A 86 11.401 -5.283 -6.277 1.00 0.00 C ATOM 1346 C ASP A 86 12.140 -5.774 -5.024 1.00 0.00 C ATOM 1347 O ASP A 86 11.981 -5.185 -3.959 1.00 0.00 O ATOM 1348 CB ASP A 86 12.381 -4.465 -7.167 1.00 0.00 C ATOM 1349 CG ASP A 86 11.715 -3.743 -8.351 1.00 0.00 C ATOM 1350 OD1 ASP A 86 11.030 -2.721 -8.130 1.00 0.00 O ATOM 1351 OD2 ASP A 86 11.904 -4.172 -9.509 1.00 0.00 O ATOM 0 H ASP A 86 10.537 -3.429 -5.870 1.00 0.00 H new ATOM 0 HA ASP A 86 11.021 -6.132 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.886 -3.726 -6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.149 -5.136 -7.552 1.00 0.00 H new ATOM 1356 N SER A 87 12.959 -6.824 -5.162 1.00 0.00 N ATOM 1357 CA SER A 87 13.806 -7.331 -4.059 1.00 0.00 C ATOM 1358 C SER A 87 14.918 -6.319 -3.691 1.00 0.00 C ATOM 1359 O SER A 87 15.366 -6.270 -2.540 1.00 0.00 O ATOM 1360 CB SER A 87 14.402 -8.712 -4.426 1.00 0.00 C ATOM 1361 OG SER A 87 13.367 -9.666 -4.656 1.00 0.00 O ATOM 0 H SER A 87 13.058 -7.347 -6.032 1.00 0.00 H new ATOM 0 HA SER A 87 13.177 -7.455 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.022 -8.620 -5.317 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.050 -9.059 -3.621 1.00 0.00 H new ATOM 0 HG SER A 87 12.813 -9.373 -5.409 1.00 0.00 H new ATOM 1367 N LYS A 88 15.325 -5.495 -4.676 1.00 0.00 N ATOM 1368 CA LYS A 88 16.379 -4.463 -4.494 1.00 0.00 C ATOM 1369 C LYS A 88 15.873 -3.222 -3.727 1.00 0.00 C ATOM 1370 O LYS A 88 16.663 -2.555 -3.050 1.00 0.00 O ATOM 1371 CB LYS A 88 16.995 -4.048 -5.853 1.00 0.00 C ATOM 1372 CG LYS A 88 15.973 -3.608 -6.917 1.00 0.00 C ATOM 1373 CD LYS A 88 16.635 -3.169 -8.243 1.00 0.00 C ATOM 1374 CE LYS A 88 15.607 -2.882 -9.353 1.00 0.00 C ATOM 1375 NZ LYS A 88 14.851 -4.101 -9.770 1.00 0.00 N ATOM 0 H LYS A 88 14.938 -5.521 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 88 17.156 -4.922 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 88 17.697 -3.231 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.570 -4.886 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.286 -4.430 -7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.379 -2.784 -6.523 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.233 -2.275 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 88 17.318 -3.949 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.904 -2.125 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.121 -2.465 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.041 -4.301 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.153 -4.911 -9.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 13.832 -3.940 -9.636 1.00 0.00 H new ATOM 1389 N ASN A 89 14.570 -2.901 -3.845 1.00 0.00 N ATOM 1390 CA ASN A 89 13.940 -1.802 -3.059 1.00 0.00 C ATOM 1391 C ASN A 89 12.857 -2.354 -2.105 1.00 0.00 C ATOM 1392 O ASN A 89 11.957 -1.620 -1.680 1.00 0.00 O ATOM 1393 CB ASN A 89 13.370 -0.682 -3.986 1.00 0.00 C ATOM 1394 CG ASN A 89 12.110 -1.060 -4.770 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.917 -2.206 -5.116 1.00 0.00 O ATOM 1396 ND2 ASN A 89 11.235 -0.090 -5.035 1.00 0.00 N ATOM 0 H ASN A 89 13.927 -3.382 -4.474 1.00 0.00 H new ATOM 0 HA ASN A 89 14.719 -1.345 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.149 0.194 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.145 -0.390 -4.695 1.00 0.00 H new ATOM 0 HD21 ASN A 89 10.376 -0.303 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.425 0.865 -4.731 1.00 0.00 H new ATOM 1403 N PHE A 90 12.982 -3.647 -1.753 1.00 0.00 N ATOM 1404 CA PHE A 90 12.011 -4.365 -0.891 1.00 0.00 C ATOM 1405 C PHE A 90 11.912 -3.738 0.503 1.00 0.00 C ATOM 1406 O PHE A 90 10.821 -3.468 1.004 1.00 0.00 O ATOM 1407 CB PHE A 90 12.414 -5.853 -0.775 1.00 0.00 C ATOM 1408 CG PHE A 90 11.353 -6.748 -0.124 1.00 0.00 C ATOM 1409 CD1 PHE A 90 10.286 -7.238 -0.875 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.414 -7.085 1.228 1.00 0.00 C ATOM 1411 CE1 PHE A 90 9.330 -8.055 -0.305 1.00 0.00 C ATOM 1412 CE2 PHE A 90 10.459 -7.899 1.797 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.413 -8.383 1.033 1.00 0.00 C ATOM 0 H PHE A 90 13.761 -4.230 -2.057 1.00 0.00 H new ATOM 0 HA PHE A 90 11.029 -4.285 -1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.633 -6.236 -1.772 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.335 -5.923 -0.197 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.206 -6.974 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.220 -6.703 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 90 8.518 -8.437 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.528 -8.160 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.663 -9.016 1.482 1.00 0.00 H new ATOM 1423 N LEU A 91 13.085 -3.504 1.096 1.00 0.00 N ATOM 1424 CA LEU A 91 13.220 -2.949 2.451 1.00 0.00 C ATOM 1425 C LEU A 91 12.914 -1.434 2.450 1.00 0.00 C ATOM 1426 O LEU A 91 12.822 -0.825 3.513 1.00 0.00 O ATOM 1427 CB LEU A 91 14.645 -3.220 3.020 1.00 0.00 C ATOM 1428 CG LEU A 91 15.016 -4.706 3.356 1.00 0.00 C ATOM 1429 CD1 LEU A 91 13.987 -5.334 4.328 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.193 -5.572 2.086 1.00 0.00 C ATOM 0 H LEU A 91 13.980 -3.696 0.646 1.00 0.00 H new ATOM 0 HA LEU A 91 12.496 -3.446 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.372 -2.846 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.763 -2.629 3.929 1.00 0.00 H new ATOM 0 HG LEU A 91 15.984 -4.684 3.857 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.271 -6.364 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.967 -4.762 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.998 -5.318 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.449 -6.592 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.263 -5.578 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 91 15.992 -5.157 1.471 1.00 0.00 H new ATOM 1442 N ASP A 92 12.799 -0.828 1.251 1.00 0.00 N ATOM 1443 CA ASP A 92 12.389 0.577 1.095 1.00 0.00 C ATOM 1444 C ASP A 92 10.852 0.676 1.121 1.00 0.00 C ATOM 1445 O ASP A 92 10.168 0.054 0.294 1.00 0.00 O ATOM 1446 CB ASP A 92 12.955 1.190 -0.212 1.00 0.00 C ATOM 1447 CG ASP A 92 14.479 1.219 -0.222 1.00 0.00 C ATOM 1448 OD1 ASP A 92 15.070 2.014 0.541 1.00 0.00 O ATOM 1449 OD2 ASP A 92 15.109 0.429 -0.953 1.00 0.00 O ATOM 0 H ASP A 92 12.988 -1.300 0.367 1.00 0.00 H new ATOM 0 HA ASP A 92 12.799 1.149 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.599 0.613 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.573 2.204 -0.331 1.00 0.00 H new ATOM 1454 N LYS A 93 10.326 1.437 2.092 1.00 0.00 N ATOM 1455 CA LYS A 93 8.885 1.646 2.256 1.00 0.00 C ATOM 1456 C LYS A 93 8.335 2.599 1.196 1.00 0.00 C ATOM 1457 O LYS A 93 9.026 3.490 0.694 1.00 0.00 O ATOM 1458 CB LYS A 93 8.554 2.205 3.663 1.00 0.00 C ATOM 1459 CG LYS A 93 9.217 3.563 3.999 1.00 0.00 C ATOM 1460 CD LYS A 93 8.830 4.124 5.389 1.00 0.00 C ATOM 1461 CE LYS A 93 7.375 4.620 5.455 1.00 0.00 C ATOM 1462 NZ LYS A 93 7.030 5.220 6.778 1.00 0.00 N ATOM 0 H LYS A 93 10.892 1.925 2.786 1.00 0.00 H new ATOM 0 HA LYS A 93 8.411 0.672 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.473 2.314 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.861 1.473 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.300 3.448 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.941 4.290 3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.978 3.349 6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.500 4.946 5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.212 5.360 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.702 3.787 5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.040 5.537 6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.158 4.509 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.652 6.033 6.963 1.00 0.00 H new ATOM 1476 N GLN A 94 7.089 2.359 0.851 1.00 0.00 N ATOM 1477 CA GLN A 94 6.252 3.249 0.048 1.00 0.00 C ATOM 1478 C GLN A 94 4.849 3.288 0.693 1.00 0.00 C ATOM 1479 O GLN A 94 3.879 3.769 0.104 1.00 0.00 O ATOM 1480 CB GLN A 94 6.248 2.818 -1.465 1.00 0.00 C ATOM 1481 CG GLN A 94 5.857 1.359 -1.768 1.00 0.00 C ATOM 1482 CD GLN A 94 6.859 0.305 -1.280 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.768 -0.175 -0.146 1.00 0.00 O ATOM 1484 NE2 GLN A 94 7.812 -0.064 -2.118 1.00 0.00 N ATOM 0 H GLN A 94 6.604 1.506 1.129 1.00 0.00 H new ATOM 0 HA GLN A 94 6.652 4.263 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 94 5.563 3.473 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.244 2.995 -1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.888 1.156 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.732 1.248 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.861 0.351 -3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 94 8.498 -0.763 -1.834 1.00 0.00 H new ATOM 1493 N ASN A 95 4.773 2.793 1.958 1.00 0.00 N ATOM 1494 CA ASN A 95 3.562 2.864 2.786 1.00 0.00 C ATOM 1495 C ASN A 95 3.459 4.271 3.394 1.00 0.00 C ATOM 1496 O ASN A 95 4.482 4.837 3.797 1.00 0.00 O ATOM 1497 CB ASN A 95 3.563 1.779 3.890 1.00 0.00 C ATOM 1498 CG ASN A 95 4.735 1.849 4.867 1.00 0.00 C ATOM 1499 OD1 ASN A 95 5.760 1.211 4.661 1.00 0.00 O ATOM 1500 ND2 ASN A 95 4.602 2.623 5.941 1.00 0.00 N ATOM 0 H ASN A 95 5.557 2.335 2.423 1.00 0.00 H new ATOM 0 HA ASN A 95 2.691 2.673 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.634 1.857 4.455 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.565 0.798 3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.364 2.695 6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.738 3.144 6.090 1.00 0.00 H new ATOM 1507 N ARG A 96 2.230 4.823 3.467 1.00 0.00 N ATOM 1508 CA ARG A 96 2.020 6.252 3.773 1.00 0.00 C ATOM 1509 C ARG A 96 0.523 6.556 3.979 1.00 0.00 C ATOM 1510 O ARG A 96 -0.334 5.726 3.691 1.00 0.00 O ATOM 1511 CB ARG A 96 2.603 7.091 2.604 1.00 0.00 C ATOM 1512 CG ARG A 96 2.750 8.609 2.842 1.00 0.00 C ATOM 1513 CD ARG A 96 3.327 9.322 1.612 1.00 0.00 C ATOM 1514 NE ARG A 96 2.697 8.829 0.378 1.00 0.00 N ATOM 1515 CZ ARG A 96 1.567 9.288 -0.169 1.00 0.00 C ATOM 1516 NH1 ARG A 96 0.894 10.291 0.383 1.00 0.00 N ATOM 1517 NH2 ARG A 96 1.099 8.701 -1.252 1.00 0.00 N ATOM 0 H ARG A 96 1.368 4.299 3.318 1.00 0.00 H new ATOM 0 HA ARG A 96 2.529 6.511 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.585 6.690 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.968 6.944 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.777 9.035 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.399 8.782 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.169 10.397 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.404 9.161 1.565 1.00 0.00 H new ATOM 0 HE ARG A 96 3.167 8.064 -0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.238 10.725 1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.034 10.627 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.598 7.910 -1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.238 9.038 -1.683 1.00 0.00 H new ATOM 1531 N GLU A 97 0.228 7.768 4.469 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.137 8.235 4.751 1.00 0.00 C ATOM 1533 C GLU A 97 -1.655 9.019 3.524 1.00 0.00 C ATOM 1534 O GLU A 97 -0.917 9.829 2.954 1.00 0.00 O ATOM 1535 CB GLU A 97 -1.091 9.103 6.050 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.436 9.378 6.759 1.00 0.00 C ATOM 1537 CD GLU A 97 -3.295 10.468 6.103 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -2.981 11.663 6.271 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -4.290 10.135 5.433 1.00 0.00 O ATOM 0 H GLU A 97 0.943 8.463 4.684 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.827 7.409 4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.427 8.612 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.638 10.062 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.010 8.452 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.235 9.665 7.791 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.912 8.753 3.114 1.00 0.00 N ATOM 1547 CA GLU A 98 -3.567 9.399 1.950 1.00 0.00 C ATOM 1548 C GLU A 98 -4.906 10.012 2.364 1.00 0.00 C ATOM 1549 O GLU A 98 -5.845 9.303 2.667 1.00 0.00 O ATOM 1550 CB GLU A 98 -3.776 8.364 0.804 1.00 0.00 C ATOM 1551 CG GLU A 98 -2.495 7.975 0.051 1.00 0.00 C ATOM 1552 CD GLU A 98 -2.017 9.048 -0.957 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -1.818 10.224 -0.580 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -1.826 8.725 -2.140 1.00 0.00 O ATOM 0 H GLU A 98 -3.511 8.076 3.586 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.919 10.196 1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.223 7.463 1.224 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.492 8.772 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.701 7.789 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.667 7.040 -0.481 1.00 0.00 H new ATOM 1561 N THR A 99 -5.005 11.337 2.368 1.00 0.00 N ATOM 1562 CA THR A 99 -6.214 12.042 2.796 1.00 0.00 C ATOM 1563 C THR A 99 -7.084 12.405 1.585 1.00 0.00 C ATOM 1564 O THR A 99 -6.576 12.923 0.587 1.00 0.00 O ATOM 1565 CB THR A 99 -5.840 13.345 3.582 1.00 0.00 C ATOM 1566 OG1 THR A 99 -4.887 13.028 4.606 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.067 14.007 4.234 1.00 0.00 C ATOM 0 H THR A 99 -4.249 11.956 2.075 1.00 0.00 H new ATOM 0 HA THR A 99 -6.777 11.379 3.452 1.00 0.00 H new ATOM 0 HB THR A 99 -5.420 14.049 2.863 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.900 12.063 4.778 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.756 14.906 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.789 14.274 3.463 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.526 13.311 4.935 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.387 12.089 1.658 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.394 12.657 0.741 1.00 0.00 C ATOM 1577 C VAL A 100 -10.055 13.875 1.435 1.00 0.00 C ATOM 1578 O VAL A 100 -10.254 13.875 2.666 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.485 11.605 0.282 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -9.862 10.222 -0.001 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.655 11.488 1.271 1.00 0.00 C ATOM 0 H VAL A 100 -8.771 11.440 2.345 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.886 12.966 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.897 11.988 -0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.643 9.528 -0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.119 10.313 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.383 9.847 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.370 10.752 0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.279 11.173 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.147 12.456 1.368 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.364 14.922 0.649 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.946 16.174 1.174 1.00 0.00 C ATOM 1593 C ILE A 101 -12.375 16.374 0.634 1.00 0.00 C ATOM 1594 O ILE A 101 -12.565 16.644 -0.550 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.027 17.409 0.813 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.630 17.304 1.517 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.717 18.756 1.149 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.677 17.271 3.050 1.00 0.00 C ATOM 0 H ILE A 101 -10.219 14.926 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.001 16.100 2.260 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.864 17.384 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.129 16.402 1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.018 18.151 1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.054 19.580 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.644 18.841 0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.939 18.795 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.663 17.198 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.144 18.184 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.257 16.408 3.378 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.371 16.250 1.518 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.782 16.487 1.195 1.00 0.00 C ATOM 1612 C TYR A 102 -15.089 17.963 1.410 1.00 0.00 C ATOM 1613 O TYR A 102 -15.256 18.416 2.551 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.728 15.635 2.077 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.727 14.134 1.784 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.578 13.595 0.817 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.902 13.252 2.484 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.599 12.241 0.563 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.931 11.903 2.232 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.774 11.404 1.275 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.796 10.055 1.034 1.00 0.00 O ATOM 0 H TYR A 102 -13.218 15.979 2.489 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.949 16.200 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.455 15.784 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.744 16.010 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -17.230 14.250 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.230 13.637 3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -17.260 11.840 -0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.289 11.236 2.788 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.724 9.755 0.935 1.00 0.00 H new ATOM 1631 N SER A 103 -15.161 18.706 0.325 1.00 0.00 N ATOM 1632 CA SER A 103 -15.570 20.096 0.364 1.00 0.00 C ATOM 1633 C SER A 103 -17.096 20.153 0.269 1.00 0.00 C ATOM 1634 O SER A 103 -17.729 19.129 0.046 1.00 0.00 O ATOM 1635 CB SER A 103 -14.907 20.840 -0.793 1.00 0.00 C ATOM 1636 OG SER A 103 -13.499 20.687 -0.723 1.00 0.00 O ATOM 0 H SER A 103 -14.938 18.364 -0.610 1.00 0.00 H new ATOM 0 HA SER A 103 -15.261 20.573 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.276 20.455 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.169 21.897 -0.754 1.00 0.00 H new ATOM 0 HG SER A 103 -13.080 21.165 -1.469 1.00 0.00 H new ATOM 1642 N ALA A 104 -17.678 21.338 0.433 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.108 21.576 0.160 1.00 0.00 C ATOM 1644 C ALA A 104 -19.421 21.211 -1.304 1.00 0.00 C ATOM 1645 O ALA A 104 -18.501 21.178 -2.122 1.00 0.00 O ATOM 1646 CB ALA A 104 -19.442 23.030 0.500 1.00 0.00 C ATOM 0 H ALA A 104 -17.179 22.166 0.759 1.00 0.00 H new ATOM 0 HA ALA A 104 -19.738 20.942 0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -20.497 23.217 0.302 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -19.232 23.215 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -18.834 23.696 -0.113 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.698 20.900 -1.607 1.00 0.00 N ATOM 1653 CA ASN A 105 -21.094 20.291 -2.894 1.00 0.00 C ATOM 1654 C ASN A 105 -20.705 21.151 -4.095 1.00 0.00 C ATOM 1655 O ASN A 105 -20.608 22.378 -3.981 1.00 0.00 O ATOM 1656 CB ASN A 105 -22.611 19.993 -2.931 1.00 0.00 C ATOM 1657 CG ASN A 105 -23.021 19.077 -4.082 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -23.433 19.541 -5.137 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.858 17.777 -3.913 1.00 0.00 N ATOM 0 H ASN A 105 -21.479 21.062 -0.971 1.00 0.00 H new ATOM 0 HA ASN A 105 -20.544 19.353 -2.967 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -22.907 19.534 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -23.157 20.933 -3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.077 17.133 -4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -22.513 17.418 -3.023 1.00 0.00 H new ATOM 1666 N THR A 106 -20.506 20.471 -5.243 1.00 0.00 N ATOM 1667 CA THR A 106 -20.119 21.066 -6.539 1.00 0.00 C ATOM 1668 C THR A 106 -20.949 22.312 -6.911 1.00 0.00 C ATOM 1669 O THR A 106 -20.481 23.160 -7.650 1.00 0.00 O ATOM 1670 CB THR A 106 -20.222 19.988 -7.675 1.00 0.00 C ATOM 1671 OG1 THR A 106 -19.871 20.539 -8.963 1.00 0.00 O ATOM 1672 CG2 THR A 106 -21.632 19.375 -7.737 1.00 0.00 C ATOM 0 H THR A 106 -20.614 19.458 -5.295 1.00 0.00 H new ATOM 0 HA THR A 106 -19.087 21.402 -6.434 1.00 0.00 H new ATOM 0 HB THR A 106 -19.508 19.201 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 106 -19.944 19.842 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 106 -21.671 18.632 -8.534 1.00 0.00 H new ATOM 0 HG22 THR A 106 -21.864 18.898 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 106 -22.362 20.160 -7.937 1.00 0.00 H new ATOM 1680 N ILE A 107 -22.179 22.399 -6.388 1.00 0.00 N ATOM 1681 CA ILE A 107 -23.074 23.548 -6.596 1.00 0.00 C ATOM 1682 C ILE A 107 -22.453 24.840 -6.013 1.00 0.00 C ATOM 1683 O ILE A 107 -22.299 25.826 -6.730 1.00 0.00 O ATOM 1684 CB ILE A 107 -24.472 23.266 -5.938 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -25.072 21.932 -6.483 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -25.467 24.438 -6.149 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -26.237 21.392 -5.677 1.00 0.00 C ATOM 0 H ILE A 107 -22.586 21.669 -5.804 1.00 0.00 H new ATOM 0 HA ILE A 107 -23.211 23.692 -7.668 1.00 0.00 H new ATOM 0 HB ILE A 107 -24.311 23.171 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -25.399 22.088 -7.511 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -24.285 21.178 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -26.419 24.197 -5.676 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -25.060 25.345 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -25.622 24.596 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -26.591 20.464 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -25.914 21.199 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -27.045 22.124 -5.670 1.00 0.00 H new ATOM 1699 N THR A 108 -22.049 24.809 -4.723 1.00 0.00 N ATOM 1700 CA THR A 108 -21.550 26.014 -4.017 1.00 0.00 C ATOM 1701 C THR A 108 -20.019 26.164 -4.132 1.00 0.00 C ATOM 1702 O THR A 108 -19.469 27.169 -3.658 1.00 0.00 O ATOM 1703 CB THR A 108 -21.963 25.981 -2.512 1.00 0.00 C ATOM 1704 OG1 THR A 108 -21.665 27.236 -1.865 1.00 0.00 O ATOM 1705 CG2 THR A 108 -21.265 24.846 -1.752 1.00 0.00 C ATOM 0 H THR A 108 -22.058 23.965 -4.150 1.00 0.00 H new ATOM 0 HA THR A 108 -22.008 26.876 -4.501 1.00 0.00 H new ATOM 0 HB THR A 108 -23.039 25.806 -2.488 1.00 0.00 H new ATOM 0 HG1 THR A 108 -20.837 27.607 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 108 -21.580 24.859 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 108 -21.533 23.889 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 108 -20.185 24.982 -1.806 1.00 0.00 H new ATOM 1713 N GLN A 109 -19.336 25.164 -4.748 1.00 0.00 N ATOM 1714 CA GLN A 109 -17.859 25.192 -4.919 1.00 0.00 C ATOM 1715 C GLN A 109 -17.428 26.354 -5.823 1.00 0.00 C ATOM 1716 O GLN A 109 -17.292 26.202 -7.042 1.00 0.00 O ATOM 1717 CB GLN A 109 -17.314 23.850 -5.469 1.00 0.00 C ATOM 1718 CG GLN A 109 -17.360 22.700 -4.465 1.00 0.00 C ATOM 1719 CD GLN A 109 -16.728 21.392 -4.957 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -16.304 20.543 -4.023 1.00 0.00 O flip ATOM 1721 NE2 GLN A 109 -16.659 21.123 -6.158 1.00 0.00 N flip ATOM 0 H GLN A 109 -19.782 24.332 -5.133 1.00 0.00 H new ATOM 0 HA GLN A 109 -17.429 25.344 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -17.890 23.571 -6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -16.283 23.994 -5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -16.852 23.012 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -18.400 22.508 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -16.992 21.794 -6.851 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -16.269 20.230 -6.459 1.00 0.00 H new ATOM 1730 N ASN A 110 -17.225 27.515 -5.198 1.00 0.00 N ATOM 1731 CA ASN A 110 -16.885 28.749 -5.897 1.00 0.00 C ATOM 1732 C ASN A 110 -15.443 28.693 -6.401 1.00 0.00 C ATOM 1733 O ASN A 110 -14.536 28.245 -5.690 1.00 0.00 O ATOM 1734 CB ASN A 110 -17.118 29.982 -4.987 1.00 0.00 C ATOM 1735 CG ASN A 110 -16.190 30.022 -3.769 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -15.124 30.645 -3.792 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -16.587 29.344 -2.698 1.00 0.00 N ATOM 0 H ASN A 110 -17.293 27.623 -4.186 1.00 0.00 H new ATOM 0 HA ASN A 110 -17.542 28.851 -6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -16.975 30.890 -5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -18.153 29.982 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -16.005 29.327 -1.860 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -17.474 28.840 -2.713 1.00 0.00 H new ATOM 1744 N LYS A 111 -15.263 29.114 -7.640 1.00 0.00 N ATOM 1745 CA LYS A 111 -13.985 29.067 -8.337 1.00 0.00 C ATOM 1746 C LYS A 111 -13.564 30.478 -8.701 1.00 0.00 C ATOM 1747 O LYS A 111 -14.410 31.340 -8.960 1.00 0.00 O ATOM 1748 CB LYS A 111 -14.118 28.207 -9.614 1.00 0.00 C ATOM 1749 CG LYS A 111 -14.459 26.729 -9.349 1.00 0.00 C ATOM 1750 CD LYS A 111 -14.704 25.942 -10.649 1.00 0.00 C ATOM 1751 CE LYS A 111 -14.851 24.437 -10.390 1.00 0.00 C ATOM 1752 NZ LYS A 111 -13.642 23.863 -9.747 1.00 0.00 N ATOM 0 H LYS A 111 -16.016 29.507 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.230 28.620 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -14.892 28.638 -10.249 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -13.183 28.258 -10.171 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -13.644 26.265 -8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -15.347 26.671 -8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -15.605 26.316 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.876 26.112 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -15.718 24.262 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -15.039 23.923 -11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -13.645 22.829 -9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.790 24.259 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.643 24.098 -8.734 1.00 0.00 H new ATOM 1766 N LYS A 112 -12.260 30.716 -8.704 1.00 0.00 N ATOM 1767 CA LYS A 112 -11.681 31.939 -9.254 1.00 0.00 C ATOM 1768 C LYS A 112 -11.657 31.754 -10.766 1.00 0.00 C ATOM 1769 O LYS A 112 -12.337 32.479 -11.493 1.00 0.00 O ATOM 1770 CB LYS A 112 -10.255 32.194 -8.696 1.00 0.00 C ATOM 1771 CG LYS A 112 -10.155 32.115 -7.165 1.00 0.00 C ATOM 1772 CD LYS A 112 -8.746 32.473 -6.632 1.00 0.00 C ATOM 1773 CE LYS A 112 -8.374 33.951 -6.870 1.00 0.00 C ATOM 1774 NZ LYS A 112 -7.031 34.288 -6.329 1.00 0.00 N ATOM 0 H LYS A 112 -11.570 30.067 -8.325 1.00 0.00 H new ATOM 0 HA LYS A 112 -12.271 32.811 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.571 31.466 -9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -9.921 33.179 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -10.887 32.791 -6.723 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.415 31.107 -6.841 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.702 32.259 -5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.007 31.835 -7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.396 34.161 -7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.123 34.592 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.825 35.291 -6.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.016 34.113 -5.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.312 33.696 -6.792 1.00 0.00 H new ATOM 1788 N ASP A 113 -10.909 30.709 -11.201 1.00 0.00 N ATOM 1789 CA ASP A 113 -10.846 30.238 -12.612 1.00 0.00 C ATOM 1790 C ASP A 113 -10.392 31.395 -13.550 1.00 0.00 C ATOM 1791 O ASP A 113 -9.841 32.399 -13.065 1.00 0.00 O ATOM 1792 CB ASP A 113 -12.238 29.618 -12.999 1.00 0.00 C ATOM 1793 CG ASP A 113 -12.276 28.794 -14.308 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -11.813 27.633 -14.321 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -12.741 29.320 -15.346 1.00 0.00 O ATOM 0 H ASP A 113 -10.322 30.160 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.097 29.455 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.568 28.978 -12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.963 30.428 -13.082 1.00 0.00 H new ATOM 1800 N GLY A 114 -10.524 31.228 -14.870 1.00 0.00 N ATOM 1801 CA GLY A 114 -10.241 32.283 -15.836 1.00 0.00 C ATOM 1802 C GLY A 114 -9.814 31.721 -17.159 1.00 0.00 C ATOM 1803 O GLY A 114 -10.401 32.050 -18.188 1.00 0.00 O ATOM 0 H GLY A 114 -10.831 30.353 -15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -11.129 32.900 -15.972 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.458 32.933 -15.446 1.00 0.00 H new ATOM 1807 N LEU A 115 -8.765 30.867 -17.123 1.00 0.00 N ATOM 1808 CA LEU A 115 -8.176 30.185 -18.314 1.00 0.00 C ATOM 1809 C LEU A 115 -7.544 31.184 -19.312 1.00 0.00 C ATOM 1810 O LEU A 115 -7.093 30.798 -20.396 1.00 0.00 O ATOM 1811 CB LEU A 115 -9.252 29.317 -19.010 1.00 0.00 C ATOM 1812 CG LEU A 115 -9.998 28.300 -18.090 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -11.165 27.639 -18.835 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -9.034 27.251 -17.490 1.00 0.00 C ATOM 0 H LEU A 115 -8.291 30.624 -16.253 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.369 29.543 -17.962 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.990 29.979 -19.463 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.778 28.765 -19.822 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.414 28.859 -17.252 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.668 26.935 -18.172 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.872 28.404 -19.156 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.785 27.107 -19.708 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.594 26.563 -16.856 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.555 26.694 -18.295 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.273 27.755 -16.894 1.00 0.00 H new ATOM 1826 N GLU A 116 -7.504 32.461 -18.902 1.00 0.00 N ATOM 1827 CA GLU A 116 -6.967 33.597 -19.675 1.00 0.00 C ATOM 1828 C GLU A 116 -5.426 33.547 -19.756 1.00 0.00 C ATOM 1829 O GLU A 116 -4.793 32.608 -19.264 1.00 0.00 O ATOM 1830 CB GLU A 116 -7.427 34.924 -18.996 1.00 0.00 C ATOM 1831 CG GLU A 116 -8.958 35.086 -18.897 1.00 0.00 C ATOM 1832 CD GLU A 116 -9.392 36.152 -17.879 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -9.369 35.857 -16.666 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -9.731 37.286 -18.275 1.00 0.00 O ATOM 0 H GLU A 116 -7.858 32.744 -17.988 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.348 33.543 -20.695 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -7.002 34.972 -17.993 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.019 35.766 -19.556 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.353 35.349 -19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.401 34.129 -18.621 1.00 0.00 H new ATOM 1841 N HIS A 117 -4.831 34.586 -20.360 1.00 0.00 N ATOM 1842 CA HIS A 117 -3.363 34.713 -20.515 1.00 0.00 C ATOM 1843 C HIS A 117 -2.730 35.394 -19.269 1.00 0.00 C ATOM 1844 O HIS A 117 -1.540 35.702 -19.260 1.00 0.00 O ATOM 1845 CB HIS A 117 -3.036 35.508 -21.812 1.00 0.00 C ATOM 1846 CG HIS A 117 -3.491 34.831 -23.095 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -2.627 34.228 -23.981 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -4.729 34.658 -23.627 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -3.304 33.712 -24.986 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -4.583 33.958 -24.803 1.00 0.00 N ATOM 0 H HIS A 117 -5.351 35.368 -20.758 1.00 0.00 H new ATOM 0 HA HIS A 117 -2.931 33.716 -20.599 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -3.503 36.491 -21.749 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -1.959 35.670 -21.863 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -5.659 35.007 -23.204 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -2.879 33.176 -25.822 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -5.339 33.677 -25.427 1.00 0.00 H new ATOM 1859 N HIS A 118 -3.542 35.606 -18.218 1.00 0.00 N ATOM 1860 CA HIS A 118 -3.126 36.261 -16.963 1.00 0.00 C ATOM 1861 C HIS A 118 -2.030 35.457 -16.233 1.00 0.00 C ATOM 1862 O HIS A 118 -2.282 34.336 -15.782 1.00 0.00 O ATOM 1863 CB HIS A 118 -4.366 36.444 -16.040 1.00 0.00 C ATOM 1864 CG HIS A 118 -4.047 36.946 -14.644 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -3.807 38.270 -14.356 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -3.906 36.279 -13.465 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -3.526 38.397 -13.069 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -3.582 37.207 -12.510 1.00 0.00 N ATOM 0 H HIS A 118 -4.522 35.323 -18.216 1.00 0.00 H new ATOM 0 HA HIS A 118 -2.703 37.235 -17.211 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -5.055 37.143 -16.514 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -4.886 35.489 -15.958 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -4.027 35.217 -13.311 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -3.290 39.321 -12.563 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -3.412 37.007 -11.524 1.00 0.00 H new ATOM 1877 N HIS A 119 -0.825 36.056 -16.148 1.00 0.00 N ATOM 1878 CA HIS A 119 0.328 35.532 -15.367 1.00 0.00 C ATOM 1879 C HIS A 119 0.821 34.159 -15.912 1.00 0.00 C ATOM 1880 O HIS A 119 1.347 33.327 -15.167 1.00 0.00 O ATOM 1881 CB HIS A 119 -0.029 35.494 -13.840 1.00 0.00 C ATOM 1882 CG HIS A 119 1.157 35.413 -12.889 1.00 0.00 C ATOM 1883 ND1 HIS A 119 1.838 36.522 -12.435 1.00 0.00 N ATOM 1884 CD2 HIS A 119 1.769 34.349 -12.309 1.00 0.00 C ATOM 1885 CE1 HIS A 119 2.812 36.144 -11.628 1.00 0.00 C ATOM 1886 NE2 HIS A 119 2.792 34.831 -11.534 1.00 0.00 N ATOM 0 H HIS A 119 -0.616 36.933 -16.626 1.00 0.00 H new ATOM 0 HA HIS A 119 1.171 36.212 -15.488 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.606 36.387 -13.598 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -0.677 34.637 -13.658 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.499 33.311 -12.435 1.00 0.00 H new ATOM 0 HE1 HIS A 119 3.508 36.801 -11.129 1.00 0.00 H new ATOM 0 HE2 HIS A 119 3.432 34.266 -10.976 1.00 0.00 H new ATOM 1895 N HIS A 120 0.655 33.935 -17.229 1.00 0.00 N ATOM 1896 CA HIS A 120 1.208 32.734 -17.917 1.00 0.00 C ATOM 1897 C HIS A 120 2.671 32.990 -18.320 1.00 0.00 C ATOM 1898 O HIS A 120 3.474 32.055 -18.425 1.00 0.00 O ATOM 1899 CB HIS A 120 0.343 32.341 -19.152 1.00 0.00 C ATOM 1900 CG HIS A 120 -0.972 31.674 -18.805 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -1.486 30.588 -19.487 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -1.869 31.943 -17.834 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -2.636 30.226 -18.943 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -2.891 31.034 -17.940 1.00 0.00 N ATOM 0 H HIS A 120 0.143 34.566 -17.846 1.00 0.00 H new ATOM 0 HA HIS A 120 1.179 31.893 -17.224 1.00 0.00 H new ATOM 0 HB2 HIS A 120 0.139 33.237 -19.738 1.00 0.00 H new ATOM 0 HB3 HIS A 120 0.921 31.670 -19.787 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -1.796 32.734 -17.102 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -3.259 29.406 -19.268 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -3.714 30.993 -17.338 1.00 0.00 H new ATOM 1913 N HIS A 121 2.978 34.272 -18.537 1.00 0.00 N ATOM 1914 CA HIS A 121 4.335 34.808 -18.768 1.00 0.00 C ATOM 1915 C HIS A 121 4.354 36.233 -18.208 1.00 0.00 C ATOM 1916 O HIS A 121 5.215 36.590 -17.401 1.00 0.00 O ATOM 1917 CB HIS A 121 4.719 34.798 -20.271 1.00 0.00 C ATOM 1918 CG HIS A 121 4.945 33.422 -20.842 1.00 0.00 C ATOM 1919 ND1 HIS A 121 4.057 32.788 -21.684 1.00 0.00 N ATOM 1920 CD2 HIS A 121 5.969 32.553 -20.663 1.00 0.00 C ATOM 1921 CE1 HIS A 121 4.518 31.595 -21.992 1.00 0.00 C ATOM 1922 NE2 HIS A 121 5.677 31.425 -21.389 1.00 0.00 N ATOM 0 H HIS A 121 2.263 35.000 -18.559 1.00 0.00 H new ATOM 0 HA HIS A 121 5.072 34.180 -18.268 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.930 35.290 -20.839 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.625 35.389 -20.407 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.851 32.717 -20.061 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.029 30.876 -22.632 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.262 30.592 -21.451 1.00 0.00 H new ATOM 1931 N HIS A 122 3.370 37.026 -18.658 1.00 0.00 N ATOM 1932 CA HIS A 122 3.049 38.356 -18.122 1.00 0.00 C ATOM 1933 C HIS A 122 1.545 38.624 -18.386 1.00 0.00 C ATOM 1934 O HIS A 122 1.189 39.140 -19.472 1.00 0.00 O ATOM 1935 CB HIS A 122 3.962 39.452 -18.745 1.00 0.00 C ATOM 1936 CG HIS A 122 3.623 40.863 -18.296 1.00 0.00 C ATOM 1937 ND1 HIS A 122 2.998 41.785 -19.111 1.00 0.00 N ATOM 1938 CD2 HIS A 122 3.812 41.495 -17.109 1.00 0.00 C ATOM 1939 CE1 HIS A 122 2.818 42.909 -18.454 1.00 0.00 C ATOM 1940 NE2 HIS A 122 3.297 42.766 -17.238 1.00 0.00 N ATOM 1941 OXT HIS A 122 0.715 38.274 -17.519 1.00 0.00 O ATOM 0 H HIS A 122 2.759 36.751 -19.427 1.00 0.00 H new ATOM 0 HA HIS A 122 3.238 38.388 -17.049 1.00 0.00 H new ATOM 0 HB2 HIS A 122 4.999 39.238 -18.486 1.00 0.00 H new ATOM 0 HB3 HIS A 122 3.887 39.399 -19.831 1.00 0.00 H new ATOM 0 HD2 HIS A 122 4.279 41.079 -16.228 1.00 0.00 H new ATOM 0 HE1 HIS A 122 2.354 43.801 -18.847 1.00 0.00 H new ATOM 0 HE2 HIS A 122 3.289 43.480 -16.509 1.00 0.00 H new TER 1950 HIS A 122