USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 961 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 115 HIS : no HD1:sc= -0.0357 K(o=0.94,f=-0.4) USER MOD Set 1.2: A 119 GLN : amide:sc= 0.978 K(o=0.94,f=-0.053) USER MOD Set 2.1: A 23 HIS : no HE2:sc= -0.111 K(o=-0.95,f=-5.1!) USER MOD Set 2.2: A 113 CYS SG : rot 91:sc= -0.835 USER MOD Set 3.1: A 85 GLN : amide:sc= 0.763 K(o=2.1,f=-4.3!) USER MOD Set 3.2: A 125 SER OG : rot -51:sc= 1.3 USER MOD Set 4.1: A 77 ASN : amide:sc= 0.539 K(o=0.54,f=-4.1!) USER MOD Set 4.2: A 79 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 56 ASN : amide:sc= 0.206 X(o=0.4,f=0.55) USER MOD Set 5.2: A 57 SER OG : rot 180:sc= 0.194 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -145:sc= 0.593 (180deg=0.0782) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.16) USER MOD Single : A 6 GLN : amide:sc= 1.27 K(o=1.3,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 1.22 (180deg=1.04) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.028 K(o=-0.028,f=-1.2) USER MOD Single : A 40 SER OG : rot -157:sc= 0.0137 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 18:sc= 1.2 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0085 USER MOD Single : A 52 SER OG : rot -155:sc= 1.22 USER MOD Single : A 55 SER OG : rot -86:sc= 1.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.0893 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 161:sc= 1.16 USER MOD Single : A 78 ASN : amide:sc= 0.943 K(o=0.94,f=-7.6!) USER MOD Single : A 82 HIS : no HE2:sc= 0.855 K(o=0.85,f=-2.7!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -169:sc=-0.00308 (180deg=-0.188) USER MOD Single : A 102 GLN : amide:sc= -0.014 K(o=-0.014,f=-0.56) USER MOD Single : A 103 LYS NZ :NH3+ 146:sc= 1.33 (180deg=0.724) USER MOD Single : A 104 MET CE :methyl 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 24:sc= 1.08 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.334 K(o=0.33,f=-2.7) USER MOD Single : A 118 THR OG1 : rot 72:sc= 1.27 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.747 -4.272 -6.338 1.00 0.00 N ATOM 2 CA MET A 1 17.674 -3.825 -5.403 1.00 0.00 C ATOM 3 C MET A 1 17.341 -4.901 -4.358 1.00 0.00 C ATOM 4 O MET A 1 17.694 -6.070 -4.529 1.00 0.00 O ATOM 5 CB MET A 1 16.406 -3.312 -6.134 1.00 0.00 C ATOM 6 CG MET A 1 15.533 -4.369 -6.833 1.00 0.00 C ATOM 7 SD MET A 1 16.245 -5.163 -8.304 1.00 0.00 S ATOM 8 CE MET A 1 14.862 -6.244 -8.762 1.00 0.00 C ATOM 0 H1 MET A 1 19.342 -3.459 -6.598 1.00 0.00 H new ATOM 0 H2 MET A 1 19.332 -4.996 -5.874 1.00 0.00 H new ATOM 0 H3 MET A 1 18.316 -4.673 -7.195 1.00 0.00 H new ATOM 0 HA MET A 1 18.078 -2.966 -4.867 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.786 -2.785 -5.409 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.716 -2.580 -6.880 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.292 -5.147 -6.108 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.592 -3.899 -7.120 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.125 -6.813 -9.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.650 -6.931 -7.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.979 -5.638 -8.965 1.00 0.00 H new ATOM 20 N ALA A 2 16.655 -4.517 -3.272 1.00 0.00 N ATOM 21 CA ALA A 2 16.201 -5.430 -2.211 1.00 0.00 C ATOM 22 C ALA A 2 14.990 -6.289 -2.644 1.00 0.00 C ATOM 23 O ALA A 2 14.287 -5.972 -3.606 1.00 0.00 O ATOM 24 CB ALA A 2 15.885 -4.593 -0.960 1.00 0.00 C ATOM 0 H ALA A 2 16.395 -3.545 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 2 16.996 -6.142 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.546 -5.250 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.783 -4.064 -0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.102 -3.871 -1.193 1.00 0.00 H new ATOM 30 N SER A 3 14.726 -7.374 -1.913 1.00 0.00 N ATOM 31 CA SER A 3 13.591 -8.282 -2.168 1.00 0.00 C ATOM 32 C SER A 3 12.215 -7.626 -1.881 1.00 0.00 C ATOM 33 O SER A 3 12.136 -6.730 -1.024 1.00 0.00 O ATOM 34 CB SER A 3 13.730 -9.551 -1.308 1.00 0.00 C ATOM 35 OG SER A 3 14.966 -10.211 -1.547 1.00 0.00 O ATOM 0 H SER A 3 15.297 -7.656 -1.116 1.00 0.00 H new ATOM 0 HA SER A 3 13.623 -8.529 -3.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.656 -9.287 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.906 -10.231 -1.525 1.00 0.00 H new ATOM 0 HG SER A 3 15.024 -11.011 -0.984 1.00 0.00 H new ATOM 41 N PRO A 4 11.123 -8.076 -2.544 1.00 0.00 N ATOM 42 CA PRO A 4 9.752 -7.652 -2.250 1.00 0.00 C ATOM 43 C PRO A 4 9.341 -7.886 -0.788 1.00 0.00 C ATOM 44 O PRO A 4 9.791 -8.836 -0.146 1.00 0.00 O ATOM 45 CB PRO A 4 8.845 -8.444 -3.198 1.00 0.00 C ATOM 46 CG PRO A 4 9.764 -8.792 -4.363 1.00 0.00 C ATOM 47 CD PRO A 4 11.114 -8.993 -3.679 1.00 0.00 C ATOM 0 HA PRO A 4 9.666 -6.576 -2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.448 -9.339 -2.719 1.00 0.00 H new ATOM 0 HB3 PRO A 4 7.990 -7.851 -3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.436 -9.692 -4.883 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.800 -7.992 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.236 -10.025 -3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.935 -8.778 -4.363 1.00 0.00 H new ATOM 55 N HIS A 5 8.449 -7.032 -0.275 1.00 0.00 N ATOM 56 CA HIS A 5 7.970 -7.032 1.114 1.00 0.00 C ATOM 57 C HIS A 5 6.659 -6.215 1.250 1.00 0.00 C ATOM 58 O HIS A 5 6.324 -5.416 0.367 1.00 0.00 O ATOM 59 CB HIS A 5 9.088 -6.486 2.025 1.00 0.00 C ATOM 60 CG HIS A 5 8.801 -6.610 3.502 1.00 0.00 C ATOM 61 ND1 HIS A 5 8.597 -5.573 4.386 1.00 0.00 N ATOM 62 CD2 HIS A 5 8.683 -7.776 4.214 1.00 0.00 C ATOM 63 CE1 HIS A 5 8.361 -6.101 5.600 1.00 0.00 C ATOM 64 NE2 HIS A 5 8.400 -7.447 5.547 1.00 0.00 N ATOM 0 H HIS A 5 8.024 -6.294 -0.836 1.00 0.00 H new ATOM 0 HA HIS A 5 7.732 -8.050 1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 5 10.014 -7.015 1.801 1.00 0.00 H new ATOM 0 HB3 HIS A 5 9.255 -5.436 1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.790 -8.775 3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.167 -5.526 6.493 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.253 -8.095 6.321 1.00 0.00 H new ATOM 72 N GLN A 6 5.915 -6.394 2.353 1.00 0.00 N ATOM 73 CA GLN A 6 4.632 -5.728 2.609 1.00 0.00 C ATOM 74 C GLN A 6 4.579 -5.264 4.076 1.00 0.00 C ATOM 75 O GLN A 6 4.309 -6.064 4.972 1.00 0.00 O ATOM 76 CB GLN A 6 3.500 -6.709 2.239 1.00 0.00 C ATOM 77 CG GLN A 6 2.098 -6.095 2.379 1.00 0.00 C ATOM 78 CD GLN A 6 1.004 -7.030 1.860 1.00 0.00 C ATOM 79 OE1 GLN A 6 0.405 -6.799 0.817 1.00 0.00 O ATOM 80 NE2 GLN A 6 0.684 -8.104 2.554 1.00 0.00 N ATOM 0 H GLN A 6 6.197 -7.020 3.107 1.00 0.00 H new ATOM 0 HA GLN A 6 4.512 -4.834 1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.641 -7.046 1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 6 3.569 -7.591 2.876 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.908 -5.862 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.059 -5.153 1.831 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.172 -8.313 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.052 -8.727 2.220 1.00 0.00 H new ATOM 89 N GLU A 7 4.837 -3.973 4.325 1.00 0.00 N ATOM 90 CA GLU A 7 4.898 -3.389 5.672 1.00 0.00 C ATOM 91 C GLU A 7 3.755 -2.375 5.878 1.00 0.00 C ATOM 92 O GLU A 7 3.762 -1.322 5.225 1.00 0.00 O ATOM 93 CB GLU A 7 6.253 -2.691 5.892 1.00 0.00 C ATOM 94 CG GLU A 7 6.468 -2.305 7.361 1.00 0.00 C ATOM 95 CD GLU A 7 7.807 -1.580 7.535 1.00 0.00 C ATOM 96 OE1 GLU A 7 7.900 -0.404 7.107 1.00 0.00 O ATOM 97 OE2 GLU A 7 8.764 -2.174 8.085 1.00 0.00 O ATOM 0 H GLU A 7 5.012 -3.294 3.584 1.00 0.00 H new ATOM 0 HA GLU A 7 4.788 -4.196 6.396 1.00 0.00 H new ATOM 0 HB2 GLU A 7 7.058 -3.351 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.306 -1.797 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.654 -1.663 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.448 -3.199 7.985 1.00 0.00 H new ATOM 104 N PRO A 8 2.810 -2.641 6.800 1.00 0.00 N ATOM 105 CA PRO A 8 1.809 -1.668 7.223 1.00 0.00 C ATOM 106 C PRO A 8 2.424 -0.612 8.153 1.00 0.00 C ATOM 107 O PRO A 8 3.376 -0.883 8.885 1.00 0.00 O ATOM 108 CB PRO A 8 0.720 -2.493 7.912 1.00 0.00 C ATOM 109 CG PRO A 8 1.484 -3.684 8.486 1.00 0.00 C ATOM 110 CD PRO A 8 2.611 -3.910 7.485 1.00 0.00 C ATOM 0 HA PRO A 8 1.399 -1.102 6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.219 -1.923 8.694 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.049 -2.811 7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.871 -3.469 9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.846 -4.563 8.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.523 -4.226 7.991 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.350 -4.697 6.777 1.00 0.00 H new ATOM 118 N LYS A 9 1.868 0.603 8.119 1.00 0.00 N ATOM 119 CA LYS A 9 2.277 1.753 8.943 1.00 0.00 C ATOM 120 C LYS A 9 1.230 2.077 10.028 1.00 0.00 C ATOM 121 O LYS A 9 0.061 1.694 9.892 1.00 0.00 O ATOM 122 CB LYS A 9 2.492 2.971 8.018 1.00 0.00 C ATOM 123 CG LYS A 9 3.921 3.113 7.474 1.00 0.00 C ATOM 124 CD LYS A 9 4.456 1.856 6.777 1.00 0.00 C ATOM 125 CE LYS A 9 5.689 2.252 5.951 1.00 0.00 C ATOM 126 NZ LYS A 9 6.336 1.080 5.311 1.00 0.00 N ATOM 0 H LYS A 9 1.092 0.824 7.495 1.00 0.00 H new ATOM 0 HA LYS A 9 3.205 1.506 9.459 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.802 2.899 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.233 3.877 8.566 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.949 3.945 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.587 3.370 8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.720 1.097 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.690 1.424 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.395 2.967 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.410 2.755 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.054 1.407 4.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.790 0.493 6.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.618 0.518 4.811 1.00 0.00 H new ATOM 140 N PRO A 10 1.610 2.810 11.096 1.00 0.00 N ATOM 141 CA PRO A 10 0.678 3.162 12.153 1.00 0.00 C ATOM 142 C PRO A 10 -0.450 4.056 11.632 1.00 0.00 C ATOM 143 O PRO A 10 -0.215 4.990 10.865 1.00 0.00 O ATOM 144 CB PRO A 10 1.509 3.796 13.270 1.00 0.00 C ATOM 145 CG PRO A 10 2.724 4.347 12.525 1.00 0.00 C ATOM 146 CD PRO A 10 2.938 3.324 11.408 1.00 0.00 C ATOM 0 HA PRO A 10 0.159 2.287 12.544 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.959 4.584 13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.796 3.064 14.025 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.535 5.344 12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.596 4.423 13.175 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.396 3.787 10.534 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.604 2.523 11.730 1.00 0.00 H new ATOM 154 N GLY A 11 -1.682 3.718 12.031 1.00 0.00 N ATOM 155 CA GLY A 11 -2.919 4.344 11.553 1.00 0.00 C ATOM 156 C GLY A 11 -3.556 3.658 10.347 1.00 0.00 C ATOM 157 O GLY A 11 -4.696 3.982 10.005 1.00 0.00 O ATOM 0 H GLY A 11 -1.850 2.980 12.715 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.642 4.359 12.369 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.709 5.382 11.294 1.00 0.00 H new ATOM 161 N ASP A 12 -2.865 2.715 9.706 1.00 0.00 N ATOM 162 CA ASP A 12 -3.445 1.915 8.628 1.00 0.00 C ATOM 163 C ASP A 12 -4.267 0.748 9.175 1.00 0.00 C ATOM 164 O ASP A 12 -3.908 0.112 10.171 1.00 0.00 O ATOM 165 CB ASP A 12 -2.372 1.389 7.659 1.00 0.00 C ATOM 166 CG ASP A 12 -1.684 2.485 6.824 1.00 0.00 C ATOM 167 OD1 ASP A 12 -2.260 3.588 6.646 1.00 0.00 O ATOM 168 OD2 ASP A 12 -0.577 2.211 6.303 1.00 0.00 O ATOM 0 H ASP A 12 -1.894 2.485 9.918 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.108 2.580 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.614 0.853 8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.831 0.667 6.983 1.00 0.00 H new ATOM 173 N LEU A 13 -5.375 0.464 8.484 1.00 0.00 N ATOM 174 CA LEU A 13 -6.177 -0.729 8.691 1.00 0.00 C ATOM 175 C LEU A 13 -5.842 -1.725 7.579 1.00 0.00 C ATOM 176 O LEU A 13 -5.826 -1.410 6.387 1.00 0.00 O ATOM 177 CB LEU A 13 -7.667 -0.376 8.862 1.00 0.00 C ATOM 178 CG LEU A 13 -8.436 -0.004 7.582 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.134 -1.241 7.006 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.483 1.067 7.895 1.00 0.00 C ATOM 0 H LEU A 13 -5.740 1.074 7.752 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.934 -1.224 9.631 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.168 -1.226 9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.742 0.458 9.560 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.727 0.383 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.675 -0.965 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.390 -2.000 6.767 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.835 -1.638 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.023 1.325 6.984 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -10.184 0.685 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.988 1.956 8.288 1.00 0.00 H new ATOM 192 N ILE A 14 -5.520 -2.932 8.008 1.00 0.00 N ATOM 193 CA ILE A 14 -4.972 -4.029 7.220 1.00 0.00 C ATOM 194 C ILE A 14 -6.113 -5.031 7.043 1.00 0.00 C ATOM 195 O ILE A 14 -6.710 -5.433 8.040 1.00 0.00 O ATOM 196 CB ILE A 14 -3.785 -4.661 7.999 1.00 0.00 C ATOM 197 CG1 ILE A 14 -2.790 -3.632 8.601 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.026 -5.628 7.072 1.00 0.00 C ATOM 199 CD1 ILE A 14 -1.920 -4.235 9.712 1.00 0.00 C ATOM 0 H ILE A 14 -5.642 -3.193 8.986 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.596 -3.705 6.250 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.224 -5.185 8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.147 -3.247 7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.347 -2.784 9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.192 -6.073 7.615 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.701 -6.414 6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.646 -5.082 6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.243 -3.473 10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.558 -4.595 10.519 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.340 -5.066 9.310 1.00 0.00 H new ATOM 211 N GLU A 15 -6.430 -5.430 5.815 1.00 0.00 N ATOM 212 CA GLU A 15 -7.367 -6.523 5.567 1.00 0.00 C ATOM 213 C GLU A 15 -6.663 -7.840 5.882 1.00 0.00 C ATOM 214 O GLU A 15 -5.552 -8.076 5.403 1.00 0.00 O ATOM 215 CB GLU A 15 -7.855 -6.492 4.114 1.00 0.00 C ATOM 216 CG GLU A 15 -9.073 -7.403 3.901 1.00 0.00 C ATOM 217 CD GLU A 15 -9.588 -7.399 2.452 1.00 0.00 C ATOM 218 OE1 GLU A 15 -9.032 -6.680 1.587 1.00 0.00 O ATOM 219 OE2 GLU A 15 -10.535 -8.162 2.150 1.00 0.00 O ATOM 0 H GLU A 15 -6.048 -5.009 4.968 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.244 -6.417 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.114 -5.469 3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.047 -6.805 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.810 -8.422 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.876 -7.086 4.566 1.00 0.00 H new ATOM 226 N ILE A 16 -7.300 -8.691 6.684 1.00 0.00 N ATOM 227 CA ILE A 16 -6.775 -9.976 7.155 1.00 0.00 C ATOM 228 C ILE A 16 -7.664 -11.104 6.624 1.00 0.00 C ATOM 229 O ILE A 16 -8.852 -11.185 6.950 1.00 0.00 O ATOM 230 CB ILE A 16 -6.722 -9.994 8.704 1.00 0.00 C ATOM 231 CG1 ILE A 16 -5.924 -8.822 9.325 1.00 0.00 C ATOM 232 CG2 ILE A 16 -6.156 -11.335 9.208 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.464 -8.683 8.873 1.00 0.00 C ATOM 0 H ILE A 16 -8.236 -8.498 7.040 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.760 -10.120 6.783 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.754 -9.870 9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.444 -7.893 9.094 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.938 -8.934 10.409 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.126 -11.331 10.298 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.793 -12.150 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.148 -11.474 8.818 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.008 -7.829 9.374 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.916 -9.589 9.130 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.430 -8.532 7.794 1.00 0.00 H new ATOM 245 N PHE A 17 -7.082 -12.016 5.848 1.00 0.00 N ATOM 246 CA PHE A 17 -7.738 -13.249 5.430 1.00 0.00 C ATOM 247 C PHE A 17 -7.644 -14.279 6.563 1.00 0.00 C ATOM 248 O PHE A 17 -6.702 -15.071 6.626 1.00 0.00 O ATOM 249 CB PHE A 17 -7.102 -13.739 4.122 1.00 0.00 C ATOM 250 CG PHE A 17 -7.724 -15.014 3.580 1.00 0.00 C ATOM 251 CD1 PHE A 17 -9.061 -15.014 3.134 1.00 0.00 C ATOM 252 CD2 PHE A 17 -6.977 -16.208 3.535 1.00 0.00 C ATOM 253 CE1 PHE A 17 -9.642 -16.194 2.636 1.00 0.00 C ATOM 254 CE2 PHE A 17 -7.558 -17.388 3.037 1.00 0.00 C ATOM 255 CZ PHE A 17 -8.888 -17.380 2.582 1.00 0.00 C ATOM 0 H PHE A 17 -6.132 -11.917 5.489 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.797 -13.083 5.232 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -7.189 -12.955 3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.038 -13.906 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.642 -14.104 3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.955 -16.217 3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.667 -16.189 2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.982 -18.301 3.004 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.331 -18.284 2.191 1.00 0.00 H new ATOM 265 N ARG A 18 -8.644 -14.289 7.453 1.00 0.00 N ATOM 266 CA ARG A 18 -8.765 -15.224 8.586 1.00 0.00 C ATOM 267 C ARG A 18 -9.354 -16.592 8.170 1.00 0.00 C ATOM 268 O ARG A 18 -9.985 -17.277 8.977 1.00 0.00 O ATOM 269 CB ARG A 18 -9.497 -14.505 9.737 1.00 0.00 C ATOM 270 CG ARG A 18 -9.673 -15.251 11.075 1.00 0.00 C ATOM 271 CD ARG A 18 -8.475 -16.116 11.508 1.00 0.00 C ATOM 272 NE ARG A 18 -8.796 -16.931 12.695 1.00 0.00 N ATOM 273 CZ ARG A 18 -9.612 -17.984 12.752 1.00 0.00 C ATOM 274 NH1 ARG A 18 -10.234 -18.463 11.693 1.00 0.00 N ATOM 275 NH2 ARG A 18 -9.830 -18.567 13.910 1.00 0.00 N ATOM 0 H ARG A 18 -9.418 -13.626 7.406 1.00 0.00 H new ATOM 0 HA ARG A 18 -7.778 -15.500 8.958 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.962 -13.578 9.942 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.489 -14.229 9.378 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.873 -14.518 11.857 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.554 -15.889 11.003 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.181 -16.769 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.622 -15.474 11.726 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.344 -16.659 13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.100 -18.025 10.781 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.849 -19.271 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.377 -18.213 14.752 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.452 -19.373 13.966 1.00 0.00 H new ATOM 289 N LEU A 19 -9.081 -17.009 6.925 1.00 0.00 N ATOM 290 CA LEU A 19 -9.066 -18.405 6.447 1.00 0.00 C ATOM 291 C LEU A 19 -10.486 -18.883 6.104 1.00 0.00 C ATOM 292 O LEU A 19 -11.112 -19.646 6.843 1.00 0.00 O ATOM 293 CB LEU A 19 -8.302 -19.331 7.429 1.00 0.00 C ATOM 294 CG LEU A 19 -6.914 -18.813 7.873 1.00 0.00 C ATOM 295 CD1 LEU A 19 -6.306 -19.790 8.886 1.00 0.00 C ATOM 296 CD2 LEU A 19 -5.950 -18.632 6.689 1.00 0.00 C ATOM 0 H LEU A 19 -8.852 -16.348 6.182 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.505 -18.453 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.917 -19.481 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.176 -20.307 6.960 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.059 -17.833 8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.328 -19.426 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.960 -19.868 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.197 -20.772 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.990 -18.267 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.807 -19.589 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.369 -17.912 5.986 1.00 0.00 H new ATOM 308 N GLY A 20 -11.001 -18.363 4.984 1.00 0.00 N ATOM 309 CA GLY A 20 -12.406 -18.497 4.563 1.00 0.00 C ATOM 310 C GLY A 20 -13.309 -17.373 5.090 1.00 0.00 C ATOM 311 O GLY A 20 -14.509 -17.386 4.827 1.00 0.00 O ATOM 0 H GLY A 20 -10.440 -17.822 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.452 -18.510 3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.792 -19.456 4.909 1.00 0.00 H new ATOM 315 N TYR A 21 -12.735 -16.411 5.823 1.00 0.00 N ATOM 316 CA TYR A 21 -13.419 -15.271 6.449 1.00 0.00 C ATOM 317 C TYR A 21 -12.587 -13.984 6.290 1.00 0.00 C ATOM 318 O TYR A 21 -11.362 -14.015 6.442 1.00 0.00 O ATOM 319 CB TYR A 21 -13.634 -15.567 7.943 1.00 0.00 C ATOM 320 CG TYR A 21 -14.339 -16.882 8.245 1.00 0.00 C ATOM 321 CD1 TYR A 21 -15.700 -17.048 7.920 1.00 0.00 C ATOM 322 CD2 TYR A 21 -13.629 -17.947 8.837 1.00 0.00 C ATOM 323 CE1 TYR A 21 -16.349 -18.271 8.172 1.00 0.00 C ATOM 324 CE2 TYR A 21 -14.269 -19.176 9.084 1.00 0.00 C ATOM 325 CZ TYR A 21 -15.631 -19.345 8.745 1.00 0.00 C ATOM 326 OH TYR A 21 -16.255 -20.533 8.973 1.00 0.00 O ATOM 0 H TYR A 21 -11.731 -16.406 6.005 1.00 0.00 H new ATOM 0 HA TYR A 21 -14.381 -15.123 5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.664 -15.570 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -14.213 -14.753 8.379 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -16.249 -16.231 7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.590 -17.819 9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -17.394 -18.389 7.928 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.719 -19.990 9.533 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.620 -21.165 9.370 1.00 0.00 H new ATOM 336 N GLU A 22 -13.242 -12.849 6.021 1.00 0.00 N ATOM 337 CA GLU A 22 -12.580 -11.550 5.843 1.00 0.00 C ATOM 338 C GLU A 22 -12.646 -10.732 7.142 1.00 0.00 C ATOM 339 O GLU A 22 -13.728 -10.408 7.636 1.00 0.00 O ATOM 340 CB GLU A 22 -13.219 -10.754 4.691 1.00 0.00 C ATOM 341 CG GLU A 22 -12.964 -11.349 3.296 1.00 0.00 C ATOM 342 CD GLU A 22 -13.723 -12.660 3.043 1.00 0.00 C ATOM 343 OE1 GLU A 22 -14.975 -12.670 3.128 1.00 0.00 O ATOM 344 OE2 GLU A 22 -13.073 -13.690 2.745 1.00 0.00 O ATOM 0 H GLU A 22 -14.256 -12.805 5.920 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.536 -11.740 5.592 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.295 -10.695 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.837 -9.733 4.714 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.253 -10.619 2.540 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.896 -11.527 3.175 1.00 0.00 H new ATOM 351 N HIS A 23 -11.480 -10.391 7.688 1.00 0.00 N ATOM 352 CA HIS A 23 -11.307 -9.625 8.922 1.00 0.00 C ATOM 353 C HIS A 23 -10.405 -8.396 8.689 1.00 0.00 C ATOM 354 O HIS A 23 -9.891 -8.184 7.588 1.00 0.00 O ATOM 355 CB HIS A 23 -10.752 -10.577 10.004 1.00 0.00 C ATOM 356 CG HIS A 23 -11.823 -11.481 10.564 1.00 0.00 C ATOM 357 ND1 HIS A 23 -12.493 -11.296 11.750 1.00 0.00 N ATOM 358 CD2 HIS A 23 -12.423 -12.536 9.930 1.00 0.00 C ATOM 359 CE1 HIS A 23 -13.504 -12.175 11.797 1.00 0.00 C ATOM 360 NE2 HIS A 23 -13.494 -12.977 10.717 1.00 0.00 N ATOM 0 H HIS A 23 -10.590 -10.653 7.264 1.00 0.00 H new ATOM 0 HA HIS A 23 -12.263 -9.228 9.262 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -9.952 -11.183 9.578 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -10.313 -9.991 10.812 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.261 -10.610 12.468 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.121 -12.957 8.982 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.229 -12.232 12.595 1.00 0.00 H new ATOM 368 N TRP A 24 -10.186 -7.588 9.735 1.00 0.00 N ATOM 369 CA TRP A 24 -9.286 -6.431 9.688 1.00 0.00 C ATOM 370 C TRP A 24 -8.423 -6.304 10.949 1.00 0.00 C ATOM 371 O TRP A 24 -8.821 -6.745 12.029 1.00 0.00 O ATOM 372 CB TRP A 24 -10.085 -5.134 9.526 1.00 0.00 C ATOM 373 CG TRP A 24 -11.153 -5.084 8.478 1.00 0.00 C ATOM 374 CD1 TRP A 24 -12.464 -5.286 8.711 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.055 -4.734 7.064 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.177 -5.158 7.534 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.362 -4.783 6.489 1.00 0.00 C ATOM 378 CE3 TRP A 24 -10.002 -4.335 6.216 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -12.610 -4.471 5.144 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -10.242 -4.000 4.869 1.00 0.00 C ATOM 381 CH2 TRP A 24 -11.537 -4.073 4.328 1.00 0.00 C ATOM 0 H TRP A 24 -10.632 -7.721 10.643 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.631 -6.592 8.832 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.550 -4.908 10.486 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.377 -4.331 9.318 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -12.894 -5.514 9.675 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.180 -5.321 7.450 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.996 -4.285 6.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.610 -4.536 4.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.420 -3.683 4.244 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.707 -3.825 3.291 1.00 0.00 H new ATOM 392 N ALA A 25 -7.288 -5.613 10.826 1.00 0.00 N ATOM 393 CA ALA A 25 -6.436 -5.213 11.946 1.00 0.00 C ATOM 394 C ALA A 25 -5.932 -3.765 11.780 1.00 0.00 C ATOM 395 O ALA A 25 -5.382 -3.423 10.738 1.00 0.00 O ATOM 396 CB ALA A 25 -5.287 -6.227 12.041 1.00 0.00 C ATOM 0 H ALA A 25 -6.927 -5.309 9.922 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.002 -5.219 12.878 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.631 -5.957 12.869 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.694 -7.224 12.211 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.719 -6.221 11.111 1.00 0.00 H new ATOM 402 N LEU A 26 -6.119 -2.912 12.791 1.00 0.00 N ATOM 403 CA LEU A 26 -5.631 -1.527 12.845 1.00 0.00 C ATOM 404 C LEU A 26 -4.255 -1.519 13.527 1.00 0.00 C ATOM 405 O LEU A 26 -4.150 -1.922 14.685 1.00 0.00 O ATOM 406 CB LEU A 26 -6.660 -0.693 13.646 1.00 0.00 C ATOM 407 CG LEU A 26 -6.577 0.849 13.554 1.00 0.00 C ATOM 408 CD1 LEU A 26 -5.216 1.464 13.901 1.00 0.00 C ATOM 409 CD2 LEU A 26 -7.017 1.335 12.167 1.00 0.00 C ATOM 0 H LEU A 26 -6.636 -3.176 13.630 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.522 -1.098 11.849 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.657 -0.993 13.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.569 -0.970 14.696 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.261 1.198 14.327 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.271 2.548 13.803 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.950 1.205 14.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.458 1.077 13.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.951 2.422 12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.367 0.902 11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.046 1.027 11.983 1.00 0.00 H new ATOM 421 N TYR A 27 -3.209 -1.044 12.852 1.00 0.00 N ATOM 422 CA TYR A 27 -1.861 -0.880 13.418 1.00 0.00 C ATOM 423 C TYR A 27 -1.810 0.275 14.438 1.00 0.00 C ATOM 424 O TYR A 27 -1.896 1.446 14.060 1.00 0.00 O ATOM 425 CB TYR A 27 -0.904 -0.663 12.235 1.00 0.00 C ATOM 426 CG TYR A 27 0.594 -0.792 12.488 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.277 0.081 13.359 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.332 -1.727 11.737 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.684 0.074 13.416 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.737 -1.761 11.812 1.00 0.00 C ATOM 431 CZ TYR A 27 3.420 -0.848 12.643 1.00 0.00 C ATOM 432 OH TYR A 27 4.780 -0.845 12.691 1.00 0.00 O ATOM 0 H TYR A 27 -3.271 -0.755 11.876 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.564 -1.766 13.979 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.172 -1.375 11.454 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.090 0.334 11.835 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.718 0.759 13.986 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.814 -2.426 11.096 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.201 0.776 14.053 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.292 -2.485 11.234 1.00 0.00 H new ATOM 0 HH TYR A 27 5.130 -1.544 12.100 1.00 0.00 H new ATOM 442 N ILE A 28 -1.647 -0.037 15.732 1.00 0.00 N ATOM 443 CA ILE A 28 -1.656 0.964 16.828 1.00 0.00 C ATOM 444 C ILE A 28 -0.271 1.384 17.339 1.00 0.00 C ATOM 445 O ILE A 28 -0.153 2.438 17.966 1.00 0.00 O ATOM 446 CB ILE A 28 -2.519 0.508 18.022 1.00 0.00 C ATOM 447 CG1 ILE A 28 -2.141 -0.898 18.541 1.00 0.00 C ATOM 448 CG2 ILE A 28 -4.009 0.626 17.656 1.00 0.00 C ATOM 449 CD1 ILE A 28 -2.545 -1.118 20.004 1.00 0.00 C ATOM 0 H ILE A 28 -1.504 -0.993 16.057 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.097 1.845 16.362 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.316 1.174 18.860 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.622 -1.652 17.918 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.065 -1.041 18.440 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.618 0.303 18.501 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.243 1.663 17.415 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.223 -0.005 16.793 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.255 -2.122 20.315 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.043 -0.384 20.634 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.624 -1.005 20.104 1.00 0.00 H new ATOM 461 N GLY A 29 0.768 0.583 17.098 1.00 0.00 N ATOM 462 CA GLY A 29 2.138 0.843 17.545 1.00 0.00 C ATOM 463 C GLY A 29 3.099 -0.110 16.860 1.00 0.00 C ATOM 464 O GLY A 29 2.646 -1.030 16.184 1.00 0.00 O ATOM 0 H GLY A 29 0.678 -0.287 16.573 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.413 1.873 17.320 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.205 0.724 18.626 1.00 0.00 H new ATOM 468 N ASP A 30 4.404 0.114 17.006 1.00 0.00 N ATOM 469 CA ASP A 30 5.442 -0.593 16.246 1.00 0.00 C ATOM 470 C ASP A 30 5.373 -2.126 16.431 1.00 0.00 C ATOM 471 O ASP A 30 5.889 -2.681 17.406 1.00 0.00 O ATOM 472 CB ASP A 30 6.819 -0.023 16.623 1.00 0.00 C ATOM 473 CG ASP A 30 7.973 -0.727 15.888 1.00 0.00 C ATOM 474 OD1 ASP A 30 7.908 -0.860 14.641 1.00 0.00 O ATOM 475 OD2 ASP A 30 8.960 -1.122 16.555 1.00 0.00 O ATOM 0 H ASP A 30 4.778 0.799 17.662 1.00 0.00 H new ATOM 0 HA ASP A 30 5.269 -0.425 15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.843 1.042 16.392 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.966 -0.120 17.699 1.00 0.00 H new ATOM 480 N GLY A 31 4.707 -2.801 15.483 1.00 0.00 N ATOM 481 CA GLY A 31 4.455 -4.246 15.489 1.00 0.00 C ATOM 482 C GLY A 31 3.266 -4.711 16.337 1.00 0.00 C ATOM 483 O GLY A 31 3.187 -5.898 16.642 1.00 0.00 O ATOM 0 H GLY A 31 4.316 -2.338 14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.294 -4.572 14.461 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.352 -4.751 15.847 1.00 0.00 H new ATOM 487 N TYR A 32 2.322 -3.832 16.690 1.00 0.00 N ATOM 488 CA TYR A 32 1.115 -4.139 17.478 1.00 0.00 C ATOM 489 C TYR A 32 -0.182 -3.667 16.790 1.00 0.00 C ATOM 490 O TYR A 32 -0.232 -2.588 16.192 1.00 0.00 O ATOM 491 CB TYR A 32 1.236 -3.514 18.876 1.00 0.00 C ATOM 492 CG TYR A 32 2.262 -4.209 19.754 1.00 0.00 C ATOM 493 CD1 TYR A 32 1.903 -5.381 20.452 1.00 0.00 C ATOM 494 CD2 TYR A 32 3.573 -3.706 19.854 1.00 0.00 C ATOM 495 CE1 TYR A 32 2.851 -6.041 21.256 1.00 0.00 C ATOM 496 CE2 TYR A 32 4.528 -4.368 20.651 1.00 0.00 C ATOM 497 CZ TYR A 32 4.167 -5.538 21.356 1.00 0.00 C ATOM 498 OH TYR A 32 5.082 -6.184 22.129 1.00 0.00 O ATOM 0 H TYR A 32 2.376 -2.848 16.426 1.00 0.00 H new ATOM 0 HA TYR A 32 1.048 -5.224 17.561 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.506 -2.463 18.775 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.264 -3.548 19.368 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.900 -5.772 20.369 1.00 0.00 H new ATOM 0 HD2 TYR A 32 3.848 -2.810 19.318 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.572 -6.933 21.797 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.534 -3.982 20.723 1.00 0.00 H new ATOM 0 HH TYR A 32 5.938 -5.709 22.088 1.00 0.00 H new ATOM 508 N VAL A 33 -1.247 -4.469 16.899 1.00 0.00 N ATOM 509 CA VAL A 33 -2.520 -4.273 16.184 1.00 0.00 C ATOM 510 C VAL A 33 -3.749 -4.479 17.076 1.00 0.00 C ATOM 511 O VAL A 33 -3.700 -5.207 18.065 1.00 0.00 O ATOM 512 CB VAL A 33 -2.644 -5.196 14.945 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.608 -4.888 13.855 1.00 0.00 C ATOM 514 CG2 VAL A 33 -2.565 -6.698 15.276 1.00 0.00 C ATOM 0 H VAL A 33 -1.251 -5.293 17.500 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.499 -3.232 15.861 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.642 -4.974 14.568 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.749 -5.569 13.016 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.734 -3.861 13.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.604 -5.015 14.261 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.660 -7.278 14.358 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.607 -6.917 15.747 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.373 -6.963 15.958 1.00 0.00 H new ATOM 524 N ILE A 34 -4.867 -3.865 16.683 1.00 0.00 N ATOM 525 CA ILE A 34 -6.218 -4.074 17.240 1.00 0.00 C ATOM 526 C ILE A 34 -7.066 -4.740 16.159 1.00 0.00 C ATOM 527 O ILE A 34 -7.056 -4.280 15.024 1.00 0.00 O ATOM 528 CB ILE A 34 -6.839 -2.717 17.646 1.00 0.00 C ATOM 529 CG1 ILE A 34 -6.015 -2.000 18.737 1.00 0.00 C ATOM 530 CG2 ILE A 34 -8.310 -2.860 18.079 1.00 0.00 C ATOM 531 CD1 ILE A 34 -6.165 -2.559 20.151 1.00 0.00 C ATOM 0 H ILE A 34 -4.862 -3.174 15.932 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.173 -4.703 18.129 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.814 -2.094 16.752 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.962 -2.042 18.459 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.299 -0.948 18.749 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.705 -1.882 18.355 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.894 -3.267 17.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.374 -3.532 18.935 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.544 -1.983 20.838 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.208 -2.491 20.460 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.850 -3.602 20.165 1.00 0.00 H new ATOM 543 N HIS A 35 -7.805 -5.801 16.462 1.00 0.00 N ATOM 544 CA HIS A 35 -8.523 -6.584 15.447 1.00 0.00 C ATOM 545 C HIS A 35 -9.811 -7.205 16.008 1.00 0.00 C ATOM 546 O HIS A 35 -9.859 -7.567 17.183 1.00 0.00 O ATOM 547 CB HIS A 35 -7.575 -7.674 14.910 1.00 0.00 C ATOM 548 CG HIS A 35 -7.162 -8.702 15.935 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.681 -9.971 16.067 1.00 0.00 N ATOM 550 CD2 HIS A 35 -6.233 -8.544 16.929 1.00 0.00 C ATOM 551 CE1 HIS A 35 -7.087 -10.556 17.120 1.00 0.00 C ATOM 552 NE2 HIS A 35 -6.192 -9.725 17.681 1.00 0.00 N ATOM 0 H HIS A 35 -7.927 -6.147 17.414 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.827 -5.921 14.637 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.061 -8.183 14.078 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.680 -7.196 14.512 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.392 -10.393 15.470 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.635 -7.661 17.103 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.299 -11.556 17.468 1.00 0.00 H new ATOM 560 N LEU A 36 -10.845 -7.376 15.173 1.00 0.00 N ATOM 561 CA LEU A 36 -12.063 -8.095 15.559 1.00 0.00 C ATOM 562 C LEU A 36 -11.835 -9.603 15.376 1.00 0.00 C ATOM 563 O LEU A 36 -11.796 -10.098 14.250 1.00 0.00 O ATOM 564 CB LEU A 36 -13.262 -7.545 14.749 1.00 0.00 C ATOM 565 CG LEU A 36 -14.629 -8.115 15.188 1.00 0.00 C ATOM 566 CD1 LEU A 36 -15.053 -7.580 16.560 1.00 0.00 C ATOM 567 CD2 LEU A 36 -15.729 -7.754 14.183 1.00 0.00 C ATOM 0 H LEU A 36 -10.859 -7.021 14.217 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.301 -7.937 16.611 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.285 -6.459 14.844 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.108 -7.769 13.693 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.505 -9.197 15.238 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.019 -8.004 16.833 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -14.309 -7.861 17.306 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.132 -6.494 16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.679 -8.169 14.519 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.812 -6.670 14.109 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.478 -8.166 13.206 1.00 0.00 H new ATOM 579 N ALA A 37 -11.674 -10.331 16.480 1.00 0.00 N ATOM 580 CA ALA A 37 -11.521 -11.785 16.516 1.00 0.00 C ATOM 581 C ALA A 37 -12.841 -12.493 16.120 1.00 0.00 C ATOM 582 O ALA A 37 -13.918 -12.031 16.522 1.00 0.00 O ATOM 583 CB ALA A 37 -11.011 -12.176 17.909 1.00 0.00 C ATOM 0 H ALA A 37 -11.645 -9.909 17.408 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.789 -12.116 15.780 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.889 -13.258 17.961 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.052 -11.693 18.094 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.730 -11.855 18.663 1.00 0.00 H new ATOM 589 N PRO A 38 -12.766 -13.609 15.359 1.00 0.00 N ATOM 590 CA PRO A 38 -13.916 -14.242 14.716 1.00 0.00 C ATOM 591 C PRO A 38 -14.918 -14.939 15.648 1.00 0.00 C ATOM 592 O PRO A 38 -14.505 -15.637 16.575 1.00 0.00 O ATOM 593 CB PRO A 38 -13.333 -15.255 13.722 1.00 0.00 C ATOM 594 CG PRO A 38 -11.986 -15.616 14.332 1.00 0.00 C ATOM 595 CD PRO A 38 -11.544 -14.297 14.960 1.00 0.00 C ATOM 0 HA PRO A 38 -14.511 -13.454 14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.974 -16.130 13.618 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.221 -14.823 12.728 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.076 -16.409 15.074 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.279 -15.964 13.578 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.897 -14.472 15.820 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.974 -13.699 14.249 1.00 0.00 H new ATOM 603 N PRO A 39 -16.231 -14.837 15.344 1.00 0.00 N ATOM 604 CA PRO A 39 -17.277 -15.621 15.993 1.00 0.00 C ATOM 605 C PRO A 39 -17.374 -17.042 15.405 1.00 0.00 C ATOM 606 O PRO A 39 -17.999 -17.913 16.003 1.00 0.00 O ATOM 607 CB PRO A 39 -18.564 -14.834 15.725 1.00 0.00 C ATOM 608 CG PRO A 39 -18.325 -14.187 14.361 1.00 0.00 C ATOM 609 CD PRO A 39 -16.814 -13.965 14.325 1.00 0.00 C ATOM 0 HA PRO A 39 -17.079 -15.758 17.056 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -19.436 -15.488 15.709 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.742 -14.085 16.496 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.654 -14.834 13.548 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.870 -13.248 14.262 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.413 -14.201 13.339 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.572 -12.921 14.526 1.00 0.00 H new ATOM 617 N SER A 40 -16.752 -17.288 14.241 1.00 0.00 N ATOM 618 CA SER A 40 -16.879 -18.489 13.396 1.00 0.00 C ATOM 619 C SER A 40 -16.399 -19.821 14.008 1.00 0.00 C ATOM 620 O SER A 40 -16.515 -20.868 13.368 1.00 0.00 O ATOM 621 CB SER A 40 -16.116 -18.251 12.081 1.00 0.00 C ATOM 622 OG SER A 40 -16.328 -16.944 11.562 1.00 0.00 O ATOM 0 H SER A 40 -16.105 -16.610 13.838 1.00 0.00 H new ATOM 0 HA SER A 40 -17.953 -18.616 13.257 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.050 -18.404 12.249 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.431 -18.988 11.342 1.00 0.00 H new ATOM 0 HG SER A 40 -16.150 -16.942 10.598 1.00 0.00 H new ATOM 628 N GLU A 41 -15.864 -19.800 15.232 1.00 0.00 N ATOM 629 CA GLU A 41 -15.431 -20.978 15.998 1.00 0.00 C ATOM 630 C GLU A 41 -16.627 -21.750 16.598 1.00 0.00 C ATOM 631 O GLU A 41 -16.632 -22.135 17.766 1.00 0.00 O ATOM 632 CB GLU A 41 -14.428 -20.554 17.085 1.00 0.00 C ATOM 633 CG GLU A 41 -13.150 -19.886 16.549 1.00 0.00 C ATOM 634 CD GLU A 41 -12.358 -20.776 15.574 1.00 0.00 C ATOM 635 OE1 GLU A 41 -12.084 -21.957 15.899 1.00 0.00 O ATOM 636 OE2 GLU A 41 -11.966 -20.283 14.489 1.00 0.00 O ATOM 0 H GLU A 41 -15.714 -18.928 15.739 1.00 0.00 H new ATOM 0 HA GLU A 41 -14.934 -21.666 15.314 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.923 -19.865 17.769 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -14.147 -21.433 17.665 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.418 -18.957 16.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.508 -19.619 17.389 1.00 0.00 H new ATOM 643 N TYR A 42 -17.673 -21.971 15.799 1.00 0.00 N ATOM 644 CA TYR A 42 -18.874 -22.721 16.181 1.00 0.00 C ATOM 645 C TYR A 42 -18.639 -24.182 16.641 1.00 0.00 C ATOM 646 O TYR A 42 -19.363 -24.618 17.542 1.00 0.00 O ATOM 647 CB TYR A 42 -19.911 -22.657 15.045 1.00 0.00 C ATOM 648 CG TYR A 42 -20.188 -21.267 14.491 1.00 0.00 C ATOM 649 CD1 TYR A 42 -20.636 -20.240 15.344 1.00 0.00 C ATOM 650 CD2 TYR A 42 -19.999 -21.000 13.121 1.00 0.00 C ATOM 651 CE1 TYR A 42 -20.882 -18.948 14.839 1.00 0.00 C ATOM 652 CE2 TYR A 42 -20.251 -19.716 12.605 1.00 0.00 C ATOM 653 CZ TYR A 42 -20.686 -18.682 13.464 1.00 0.00 C ATOM 654 OH TYR A 42 -20.909 -17.434 12.962 1.00 0.00 O ATOM 0 H TYR A 42 -17.710 -21.624 14.841 1.00 0.00 H new ATOM 0 HA TYR A 42 -19.252 -22.224 17.075 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -19.570 -23.294 14.229 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -20.849 -23.078 15.408 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -20.792 -20.444 16.393 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -19.659 -21.786 12.463 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -21.219 -18.163 15.500 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -20.112 -19.520 11.552 1.00 0.00 H new ATOM 0 HH TYR A 42 -20.724 -17.431 12.000 1.00 0.00 H new ATOM 664 N PRO A 43 -17.666 -24.941 16.076 1.00 0.00 N ATOM 665 CA PRO A 43 -17.323 -26.291 16.518 1.00 0.00 C ATOM 666 C PRO A 43 -16.897 -26.356 17.989 1.00 0.00 C ATOM 667 O PRO A 43 -16.378 -25.390 18.553 1.00 0.00 O ATOM 668 CB PRO A 43 -16.198 -26.770 15.592 1.00 0.00 C ATOM 669 CG PRO A 43 -16.427 -25.963 14.319 1.00 0.00 C ATOM 670 CD PRO A 43 -16.909 -24.627 14.874 1.00 0.00 C ATOM 0 HA PRO A 43 -18.201 -26.934 16.458 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -15.214 -26.576 16.020 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -16.259 -27.842 15.405 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -15.514 -25.856 13.734 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -17.169 -26.427 13.670 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -16.067 -23.973 15.103 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -17.530 -24.104 14.147 1.00 0.00 H new ATOM 678 N GLY A 44 -17.127 -27.517 18.612 1.00 0.00 N ATOM 679 CA GLY A 44 -16.801 -27.801 20.015 1.00 0.00 C ATOM 680 C GLY A 44 -17.827 -27.232 21.000 1.00 0.00 C ATOM 681 O GLY A 44 -18.241 -27.939 21.919 1.00 0.00 O ATOM 0 H GLY A 44 -17.559 -28.311 18.139 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.733 -28.880 20.154 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.819 -27.387 20.244 1.00 0.00 H new ATOM 685 N ALA A 45 -18.261 -25.981 20.809 1.00 0.00 N ATOM 686 CA ALA A 45 -19.335 -25.362 21.592 1.00 0.00 C ATOM 687 C ALA A 45 -20.737 -25.897 21.224 1.00 0.00 C ATOM 688 O ALA A 45 -21.013 -26.231 20.069 1.00 0.00 O ATOM 689 CB ALA A 45 -19.242 -23.840 21.434 1.00 0.00 C ATOM 0 H ALA A 45 -17.871 -25.363 20.097 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.198 -25.631 22.640 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -20.035 -23.365 22.011 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.273 -23.495 21.796 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -19.351 -23.576 20.382 1.00 0.00 H new ATOM 695 N GLY A 46 -21.627 -25.951 22.227 1.00 0.00 N ATOM 696 CA GLY A 46 -23.017 -26.423 22.101 1.00 0.00 C ATOM 697 C GLY A 46 -24.047 -25.600 22.879 1.00 0.00 C ATOM 698 O GLY A 46 -25.150 -26.083 23.123 1.00 0.00 O ATOM 0 H GLY A 46 -21.394 -25.659 23.176 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -23.293 -26.421 21.046 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -23.067 -27.457 22.441 1.00 0.00 H new ATOM 702 N SER A 47 -23.702 -24.378 23.291 1.00 0.00 N ATOM 703 CA SER A 47 -24.528 -23.440 24.079 1.00 0.00 C ATOM 704 C SER A 47 -23.852 -22.055 24.167 1.00 0.00 C ATOM 705 O SER A 47 -22.628 -21.944 24.073 1.00 0.00 O ATOM 706 CB SER A 47 -24.780 -23.978 25.507 1.00 0.00 C ATOM 707 OG SER A 47 -25.732 -25.031 25.530 1.00 0.00 O ATOM 0 H SER A 47 -22.785 -23.987 23.074 1.00 0.00 H new ATOM 0 HA SER A 47 -25.485 -23.342 23.566 1.00 0.00 H new ATOM 0 HB2 SER A 47 -23.840 -24.333 25.929 1.00 0.00 H new ATOM 0 HB3 SER A 47 -25.128 -23.164 26.143 1.00 0.00 H new ATOM 0 HG SER A 47 -25.829 -25.404 24.629 1.00 0.00 H new ATOM 713 N SER A 48 -24.634 -20.996 24.403 1.00 0.00 N ATOM 714 CA SER A 48 -24.187 -19.585 24.406 1.00 0.00 C ATOM 715 C SER A 48 -23.092 -19.266 25.441 1.00 0.00 C ATOM 716 O SER A 48 -22.385 -18.264 25.324 1.00 0.00 O ATOM 717 CB SER A 48 -25.405 -18.679 24.660 1.00 0.00 C ATOM 718 OG SER A 48 -26.478 -18.966 23.765 1.00 0.00 O ATOM 0 H SER A 48 -25.629 -21.093 24.605 1.00 0.00 H new ATOM 0 HA SER A 48 -23.740 -19.401 23.429 1.00 0.00 H new ATOM 0 HB2 SER A 48 -25.745 -18.808 25.688 1.00 0.00 H new ATOM 0 HB3 SER A 48 -25.110 -17.635 24.550 1.00 0.00 H new ATOM 0 HG SER A 48 -27.233 -18.372 23.958 1.00 0.00 H new ATOM 724 N SER A 49 -22.911 -20.125 26.447 1.00 0.00 N ATOM 725 CA SER A 49 -21.815 -20.058 27.424 1.00 0.00 C ATOM 726 C SER A 49 -20.439 -20.422 26.833 1.00 0.00 C ATOM 727 O SER A 49 -19.424 -20.015 27.404 1.00 0.00 O ATOM 728 CB SER A 49 -22.147 -20.995 28.599 1.00 0.00 C ATOM 729 OG SER A 49 -22.489 -22.304 28.150 1.00 0.00 O ATOM 0 H SER A 49 -23.540 -20.911 26.611 1.00 0.00 H new ATOM 0 HA SER A 49 -21.735 -19.023 27.755 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.291 -21.053 29.271 1.00 0.00 H new ATOM 0 HB3 SER A 49 -22.975 -20.579 29.173 1.00 0.00 H new ATOM 0 HG SER A 49 -22.692 -22.872 28.922 1.00 0.00 H new ATOM 735 N VAL A 50 -20.396 -21.155 25.705 1.00 0.00 N ATOM 736 CA VAL A 50 -19.203 -21.583 24.938 1.00 0.00 C ATOM 737 C VAL A 50 -18.419 -22.702 25.643 1.00 0.00 C ATOM 738 O VAL A 50 -18.030 -22.562 26.803 1.00 0.00 O ATOM 739 CB VAL A 50 -18.236 -20.424 24.569 1.00 0.00 C ATOM 740 CG1 VAL A 50 -17.046 -20.944 23.744 1.00 0.00 C ATOM 741 CG2 VAL A 50 -18.958 -19.335 23.755 1.00 0.00 C ATOM 0 H VAL A 50 -21.256 -21.490 25.271 1.00 0.00 H new ATOM 0 HA VAL A 50 -19.615 -21.970 24.006 1.00 0.00 H new ATOM 0 HB VAL A 50 -17.876 -19.998 25.506 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -16.384 -20.114 23.498 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.498 -21.686 24.324 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.412 -21.400 22.825 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -18.256 -18.537 23.511 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -19.349 -19.768 22.834 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -19.781 -18.927 24.342 1.00 0.00 H new ATOM 751 N PHE A 51 -18.124 -23.786 24.906 1.00 0.00 N ATOM 752 CA PHE A 51 -17.243 -24.868 25.381 1.00 0.00 C ATOM 753 C PHE A 51 -15.854 -24.907 24.714 1.00 0.00 C ATOM 754 O PHE A 51 -14.910 -25.413 25.323 1.00 0.00 O ATOM 755 CB PHE A 51 -17.939 -26.236 25.244 1.00 0.00 C ATOM 756 CG PHE A 51 -19.385 -26.337 25.711 1.00 0.00 C ATOM 757 CD1 PHE A 51 -19.838 -25.650 26.858 1.00 0.00 C ATOM 758 CD2 PHE A 51 -20.286 -27.154 25.003 1.00 0.00 C ATOM 759 CE1 PHE A 51 -21.181 -25.750 27.261 1.00 0.00 C ATOM 760 CE2 PHE A 51 -21.628 -27.263 25.412 1.00 0.00 C ATOM 761 CZ PHE A 51 -22.077 -26.553 26.537 1.00 0.00 C ATOM 0 H PHE A 51 -18.489 -23.937 23.965 1.00 0.00 H new ATOM 0 HA PHE A 51 -17.058 -24.645 26.432 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -17.903 -26.529 24.195 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -17.354 -26.969 25.800 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -19.149 -25.045 27.429 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -19.944 -27.702 24.138 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -21.525 -25.208 28.130 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -22.312 -27.892 24.861 1.00 0.00 H new ATOM 0 HZ PHE A 51 -23.110 -26.624 26.845 1.00 0.00 H new ATOM 771 N SER A 52 -15.701 -24.383 23.493 1.00 0.00 N ATOM 772 CA SER A 52 -14.404 -24.255 22.807 1.00 0.00 C ATOM 773 C SER A 52 -13.787 -22.866 23.067 1.00 0.00 C ATOM 774 O SER A 52 -13.038 -22.707 24.032 1.00 0.00 O ATOM 775 CB SER A 52 -14.567 -24.583 21.310 1.00 0.00 C ATOM 776 OG SER A 52 -15.542 -23.753 20.697 1.00 0.00 O ATOM 0 H SER A 52 -16.484 -24.030 22.943 1.00 0.00 H new ATOM 0 HA SER A 52 -13.698 -24.979 23.213 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.610 -24.457 20.803 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.854 -25.628 21.195 1.00 0.00 H new ATOM 0 HG SER A 52 -15.909 -24.206 19.909 1.00 0.00 H new ATOM 782 N VAL A 53 -14.104 -21.858 22.241 1.00 0.00 N ATOM 783 CA VAL A 53 -13.596 -20.472 22.344 1.00 0.00 C ATOM 784 C VAL A 53 -14.349 -19.524 21.400 1.00 0.00 C ATOM 785 O VAL A 53 -14.483 -19.807 20.215 1.00 0.00 O ATOM 786 CB VAL A 53 -12.059 -20.385 22.123 1.00 0.00 C ATOM 787 CG1 VAL A 53 -11.581 -20.929 20.761 1.00 0.00 C ATOM 788 CG2 VAL A 53 -11.534 -18.952 22.317 1.00 0.00 C ATOM 0 H VAL A 53 -14.742 -21.984 21.455 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.787 -20.146 23.367 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.639 -21.037 22.889 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.498 -20.830 20.690 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.856 -21.980 20.672 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.051 -20.362 19.957 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.456 -18.934 22.154 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.020 -18.287 21.604 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.753 -18.619 23.331 1.00 0.00 H new ATOM 798 N LEU A 54 -14.849 -18.401 21.943 1.00 0.00 N ATOM 799 CA LEU A 54 -15.419 -17.241 21.221 1.00 0.00 C ATOM 800 C LEU A 54 -16.670 -17.529 20.350 1.00 0.00 C ATOM 801 O LEU A 54 -17.120 -16.677 19.591 1.00 0.00 O ATOM 802 CB LEU A 54 -14.258 -16.542 20.463 1.00 0.00 C ATOM 803 CG LEU A 54 -14.492 -15.086 19.998 1.00 0.00 C ATOM 804 CD1 LEU A 54 -14.925 -14.150 21.136 1.00 0.00 C ATOM 805 CD2 LEU A 54 -13.198 -14.530 19.389 1.00 0.00 C ATOM 0 H LEU A 54 -14.869 -18.267 22.954 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.847 -16.561 21.958 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.379 -16.554 21.107 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.018 -17.142 19.585 1.00 0.00 H new ATOM 0 HG LEU A 54 -15.300 -15.120 19.267 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.073 -13.144 20.743 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.858 -14.511 21.569 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.152 -14.130 21.904 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.362 -13.504 19.061 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.406 -14.549 20.138 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.906 -15.141 18.535 1.00 0.00 H new ATOM 817 N SER A 55 -17.280 -18.707 20.464 1.00 0.00 N ATOM 818 CA SER A 55 -18.339 -19.190 19.559 1.00 0.00 C ATOM 819 C SER A 55 -19.668 -18.399 19.612 1.00 0.00 C ATOM 820 O SER A 55 -20.508 -18.550 18.725 1.00 0.00 O ATOM 821 CB SER A 55 -18.629 -20.661 19.898 1.00 0.00 C ATOM 822 OG SER A 55 -17.434 -21.386 20.143 1.00 0.00 O ATOM 0 H SER A 55 -17.052 -19.373 21.202 1.00 0.00 H new ATOM 0 HA SER A 55 -17.956 -19.052 18.548 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.273 -20.713 20.776 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.174 -21.124 19.075 1.00 0.00 H new ATOM 0 HG SER A 55 -17.074 -21.720 19.295 1.00 0.00 H new ATOM 828 N ASN A 56 -19.886 -17.574 20.647 1.00 0.00 N ATOM 829 CA ASN A 56 -21.124 -16.809 20.839 1.00 0.00 C ATOM 830 C ASN A 56 -21.235 -15.566 19.938 1.00 0.00 C ATOM 831 O ASN A 56 -22.300 -15.283 19.393 1.00 0.00 O ATOM 832 CB ASN A 56 -21.179 -16.359 22.303 1.00 0.00 C ATOM 833 CG ASN A 56 -22.509 -15.687 22.633 1.00 0.00 C ATOM 834 OD1 ASN A 56 -23.529 -16.343 22.814 1.00 0.00 O ATOM 835 ND2 ASN A 56 -22.546 -14.366 22.684 1.00 0.00 N ATOM 0 H ASN A 56 -19.197 -17.418 21.383 1.00 0.00 H new ATOM 0 HA ASN A 56 -21.953 -17.463 20.569 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -21.034 -17.220 22.955 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -20.361 -15.667 22.503 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -23.426 -13.887 22.875 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -21.694 -13.826 22.533 1.00 0.00 H new ATOM 842 N SER A 57 -20.148 -14.807 19.805 1.00 0.00 N ATOM 843 CA SER A 57 -20.101 -13.477 19.176 1.00 0.00 C ATOM 844 C SER A 57 -18.643 -12.999 18.995 1.00 0.00 C ATOM 845 O SER A 57 -17.727 -13.550 19.608 1.00 0.00 O ATOM 846 CB SER A 57 -20.922 -12.447 19.983 1.00 0.00 C ATOM 847 OG SER A 57 -20.568 -12.413 21.361 1.00 0.00 O ATOM 0 H SER A 57 -19.235 -15.110 20.145 1.00 0.00 H new ATOM 0 HA SER A 57 -20.552 -13.563 18.188 1.00 0.00 H new ATOM 0 HB2 SER A 57 -20.777 -11.457 19.552 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.982 -12.683 19.891 1.00 0.00 H new ATOM 0 HG SER A 57 -21.116 -11.745 21.823 1.00 0.00 H new ATOM 853 N ALA A 58 -18.399 -11.992 18.140 1.00 0.00 N ATOM 854 CA ALA A 58 -17.043 -11.506 17.852 1.00 0.00 C ATOM 855 C ALA A 58 -16.530 -10.587 18.973 1.00 0.00 C ATOM 856 O ALA A 58 -17.331 -9.961 19.668 1.00 0.00 O ATOM 857 CB ALA A 58 -17.071 -10.785 16.499 1.00 0.00 C ATOM 0 H ALA A 58 -19.132 -11.496 17.633 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.350 -12.346 17.803 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.073 -10.415 16.263 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.393 -11.480 15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -17.767 -9.947 16.547 1.00 0.00 H new ATOM 863 N GLU A 59 -15.209 -10.452 19.124 1.00 0.00 N ATOM 864 CA GLU A 59 -14.599 -9.594 20.155 1.00 0.00 C ATOM 865 C GLU A 59 -13.431 -8.787 19.586 1.00 0.00 C ATOM 866 O GLU A 59 -12.590 -9.342 18.887 1.00 0.00 O ATOM 867 CB GLU A 59 -14.133 -10.436 21.355 1.00 0.00 C ATOM 868 CG GLU A 59 -13.606 -9.563 22.501 1.00 0.00 C ATOM 869 CD GLU A 59 -13.371 -10.387 23.773 1.00 0.00 C ATOM 870 OE1 GLU A 59 -12.423 -11.206 23.808 1.00 0.00 O ATOM 871 OE2 GLU A 59 -14.133 -10.204 24.749 1.00 0.00 O ATOM 0 H GLU A 59 -14.528 -10.933 18.536 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.360 -8.892 20.495 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.963 -11.044 21.715 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.350 -11.123 21.033 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.674 -9.086 22.198 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.319 -8.765 22.710 1.00 0.00 H new ATOM 878 N VAL A 60 -13.354 -7.492 19.898 1.00 0.00 N ATOM 879 CA VAL A 60 -12.203 -6.650 19.536 1.00 0.00 C ATOM 880 C VAL A 60 -11.066 -6.907 20.531 1.00 0.00 C ATOM 881 O VAL A 60 -11.243 -6.725 21.735 1.00 0.00 O ATOM 882 CB VAL A 60 -12.551 -5.147 19.494 1.00 0.00 C ATOM 883 CG1 VAL A 60 -11.341 -4.330 19.006 1.00 0.00 C ATOM 884 CG2 VAL A 60 -13.737 -4.842 18.567 1.00 0.00 C ATOM 0 H VAL A 60 -14.084 -6.994 20.408 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.894 -6.922 18.527 1.00 0.00 H new ATOM 0 HB VAL A 60 -12.824 -4.868 20.512 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.602 -3.272 18.982 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.502 -4.481 19.685 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.061 -4.657 18.005 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.939 -3.771 18.575 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.496 -5.158 17.552 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -14.619 -5.380 18.915 1.00 0.00 H new ATOM 894 N LYS A 61 -9.905 -7.323 20.024 1.00 0.00 N ATOM 895 CA LYS A 61 -8.731 -7.734 20.808 1.00 0.00 C ATOM 896 C LYS A 61 -7.452 -6.988 20.379 1.00 0.00 C ATOM 897 O LYS A 61 -7.358 -6.491 19.253 1.00 0.00 O ATOM 898 CB LYS A 61 -8.561 -9.267 20.694 1.00 0.00 C ATOM 899 CG LYS A 61 -9.794 -10.023 21.229 1.00 0.00 C ATOM 900 CD LYS A 61 -9.609 -11.545 21.307 1.00 0.00 C ATOM 901 CE LYS A 61 -8.669 -11.940 22.457 1.00 0.00 C ATOM 902 NZ LYS A 61 -8.547 -13.420 22.592 1.00 0.00 N ATOM 0 H LYS A 61 -9.747 -7.387 19.018 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.897 -7.466 21.851 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.393 -9.537 19.651 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.676 -9.577 21.250 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.036 -9.645 22.223 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.648 -9.804 20.588 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.578 -12.024 21.447 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.206 -11.912 20.363 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.683 -11.509 22.284 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.042 -11.520 23.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.905 -13.645 23.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.484 -13.830 22.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.167 -13.819 21.710 1.00 0.00 H new ATOM 916 N ARG A 62 -6.465 -6.912 21.283 1.00 0.00 N ATOM 917 CA ARG A 62 -5.101 -6.406 21.014 1.00 0.00 C ATOM 918 C ARG A 62 -4.119 -7.576 20.847 1.00 0.00 C ATOM 919 O ARG A 62 -4.226 -8.580 21.553 1.00 0.00 O ATOM 920 CB ARG A 62 -4.654 -5.417 22.113 1.00 0.00 C ATOM 921 CG ARG A 62 -4.549 -6.015 23.529 1.00 0.00 C ATOM 922 CD ARG A 62 -4.193 -4.939 24.564 1.00 0.00 C ATOM 923 NE ARG A 62 -4.163 -5.496 25.931 1.00 0.00 N ATOM 924 CZ ARG A 62 -3.142 -6.090 26.545 1.00 0.00 C ATOM 925 NH1 ARG A 62 -1.974 -6.265 25.960 1.00 0.00 N ATOM 926 NH2 ARG A 62 -3.291 -6.525 27.778 1.00 0.00 N ATOM 0 H ARG A 62 -6.592 -7.208 22.251 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.109 -5.852 20.075 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.683 -5.006 21.837 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.357 -4.585 22.138 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.495 -6.484 23.799 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.791 -6.798 23.540 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.221 -4.508 24.324 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.921 -4.130 24.515 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.026 -5.416 26.468 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.829 -5.941 25.004 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.215 -6.725 26.463 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.184 -6.406 28.256 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.514 -6.981 28.255 1.00 0.00 H new ATOM 940 N GLU A 63 -3.161 -7.449 19.926 1.00 0.00 N ATOM 941 CA GLU A 63 -2.249 -8.533 19.530 1.00 0.00 C ATOM 942 C GLU A 63 -1.043 -7.988 18.748 1.00 0.00 C ATOM 943 O GLU A 63 -1.055 -6.852 18.265 1.00 0.00 O ATOM 944 CB GLU A 63 -3.045 -9.593 18.729 1.00 0.00 C ATOM 945 CG GLU A 63 -2.334 -10.910 18.403 1.00 0.00 C ATOM 946 CD GLU A 63 -1.697 -11.561 19.639 1.00 0.00 C ATOM 947 OE1 GLU A 63 -2.375 -12.334 20.356 1.00 0.00 O ATOM 948 OE2 GLU A 63 -0.501 -11.289 19.900 1.00 0.00 O ATOM 0 H GLU A 63 -2.992 -6.577 19.424 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.838 -9.011 20.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.950 -9.828 19.289 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.360 -9.139 17.790 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.048 -11.604 17.959 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.562 -10.726 17.656 1.00 0.00 H new ATOM 955 N ARG A 64 0.008 -8.798 18.615 1.00 0.00 N ATOM 956 CA ARG A 64 1.195 -8.516 17.804 1.00 0.00 C ATOM 957 C ARG A 64 0.876 -8.682 16.313 1.00 0.00 C ATOM 958 O ARG A 64 0.217 -9.645 15.911 1.00 0.00 O ATOM 959 CB ARG A 64 2.330 -9.474 18.208 1.00 0.00 C ATOM 960 CG ARG A 64 2.810 -9.284 19.662 1.00 0.00 C ATOM 961 CD ARG A 64 3.327 -10.595 20.273 1.00 0.00 C ATOM 962 NE ARG A 64 2.216 -11.547 20.435 1.00 0.00 N ATOM 963 CZ ARG A 64 2.264 -12.848 20.666 1.00 0.00 C ATOM 964 NH1 ARG A 64 3.389 -13.498 20.881 1.00 0.00 N ATOM 965 NH2 ARG A 64 1.120 -13.489 20.669 1.00 0.00 N ATOM 0 H ARG A 64 0.059 -9.701 19.086 1.00 0.00 H new ATOM 0 HA ARG A 64 1.508 -7.487 17.978 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.991 -10.502 18.078 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.174 -9.329 17.534 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.602 -8.535 19.688 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.989 -8.901 20.268 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.096 -11.026 19.632 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.791 -10.397 21.239 1.00 0.00 H new ATOM 0 HE ARG A 64 1.280 -11.148 20.359 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.277 -12.996 20.874 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.372 -14.503 21.055 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.251 -12.983 20.498 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.099 -14.494 20.842 1.00 0.00 H new ATOM 979 N LEU A 65 1.416 -7.797 15.470 1.00 0.00 N ATOM 980 CA LEU A 65 1.268 -7.852 14.010 1.00 0.00 C ATOM 981 C LEU A 65 1.695 -9.221 13.469 1.00 0.00 C ATOM 982 O LEU A 65 0.874 -9.914 12.876 1.00 0.00 O ATOM 983 CB LEU A 65 2.082 -6.695 13.388 1.00 0.00 C ATOM 984 CG LEU A 65 2.082 -6.656 11.844 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.681 -6.396 11.273 1.00 0.00 C ATOM 986 CD2 LEU A 65 3.044 -5.563 11.370 1.00 0.00 C ATOM 0 H LEU A 65 1.979 -7.008 15.787 1.00 0.00 H new ATOM 0 HA LEU A 65 0.221 -7.728 13.734 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.686 -5.750 13.761 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.113 -6.768 13.735 1.00 0.00 H new ATOM 0 HG LEU A 65 2.406 -7.632 11.482 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.730 -6.377 10.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.005 -7.189 11.592 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.312 -5.437 11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.049 -5.530 10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.720 -4.598 11.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.049 -5.781 11.731 1.00 0.00 H new ATOM 998 N GLU A 66 2.937 -9.634 13.738 1.00 0.00 N ATOM 999 CA GLU A 66 3.507 -10.900 13.249 1.00 0.00 C ATOM 1000 C GLU A 66 2.795 -12.160 13.778 1.00 0.00 C ATOM 1001 O GLU A 66 2.852 -13.201 13.128 1.00 0.00 O ATOM 1002 CB GLU A 66 5.018 -10.950 13.543 1.00 0.00 C ATOM 1003 CG GLU A 66 5.372 -11.017 15.036 1.00 0.00 C ATOM 1004 CD GLU A 66 6.894 -11.030 15.238 1.00 0.00 C ATOM 1005 OE1 GLU A 66 7.499 -12.128 15.243 1.00 0.00 O ATOM 1006 OE2 GLU A 66 7.499 -9.945 15.396 1.00 0.00 O ATOM 0 H GLU A 66 3.586 -9.093 14.309 1.00 0.00 H new ATOM 0 HA GLU A 66 3.343 -10.912 12.171 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.445 -11.819 13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.490 -10.068 13.109 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.939 -10.162 15.555 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.935 -11.912 15.478 1.00 0.00 H new ATOM 1013 N ASP A 67 2.078 -12.080 14.908 1.00 0.00 N ATOM 1014 CA ASP A 67 1.210 -13.174 15.364 1.00 0.00 C ATOM 1015 C ASP A 67 -0.049 -13.278 14.485 1.00 0.00 C ATOM 1016 O ASP A 67 -0.429 -14.380 14.085 1.00 0.00 O ATOM 1017 CB ASP A 67 0.851 -12.979 16.843 1.00 0.00 C ATOM 1018 CG ASP A 67 0.045 -14.173 17.379 1.00 0.00 C ATOM 1019 OD1 ASP A 67 0.672 -15.189 17.763 1.00 0.00 O ATOM 1020 OD2 ASP A 67 -1.205 -14.092 17.412 1.00 0.00 O ATOM 0 H ASP A 67 2.083 -11.267 15.524 1.00 0.00 H new ATOM 0 HA ASP A 67 1.750 -14.116 15.268 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.762 -12.859 17.429 1.00 0.00 H new ATOM 0 HB3 ASP A 67 0.273 -12.063 16.962 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.649 -12.134 14.124 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.785 -12.069 13.190 1.00 0.00 C ATOM 1027 C VAL A 68 -1.346 -12.452 11.765 1.00 0.00 C ATOM 1028 O VAL A 68 -1.923 -13.368 11.179 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.491 -10.690 13.219 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.627 -10.597 12.185 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -3.081 -10.408 14.613 1.00 0.00 C ATOM 0 H VAL A 68 -0.358 -11.221 14.474 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.521 -12.800 13.524 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.729 -9.950 12.973 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.092 -9.613 12.243 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.222 -10.749 11.185 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.373 -11.364 12.394 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.572 -9.435 14.610 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.808 -11.180 14.863 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.281 -10.409 15.354 1.00 0.00 H new ATOM 1041 N VAL A 69 -0.321 -11.793 11.204 1.00 0.00 N ATOM 1042 CA VAL A 69 0.112 -11.998 9.815 1.00 0.00 C ATOM 1043 C VAL A 69 0.971 -13.257 9.598 1.00 0.00 C ATOM 1044 O VAL A 69 1.264 -13.614 8.457 1.00 0.00 O ATOM 1045 CB VAL A 69 0.803 -10.748 9.231 1.00 0.00 C ATOM 1046 CG1 VAL A 69 -0.127 -9.525 9.261 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.176 -10.386 9.806 1.00 0.00 C ATOM 0 H VAL A 69 0.234 -11.099 11.705 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.811 -12.169 9.262 1.00 0.00 H new ATOM 0 HB VAL A 69 1.011 -11.043 8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.392 -8.663 8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.020 -9.732 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.414 -9.311 10.291 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.553 -9.490 9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.085 -10.199 10.876 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.869 -11.211 9.639 1.00 0.00 H new ATOM 1057 N GLY A 70 1.355 -13.959 10.674 1.00 0.00 N ATOM 1058 CA GLY A 70 2.018 -15.266 10.610 1.00 0.00 C ATOM 1059 C GLY A 70 1.048 -16.422 10.343 1.00 0.00 C ATOM 1060 O GLY A 70 1.442 -17.420 9.737 1.00 0.00 O ATOM 0 H GLY A 70 1.210 -13.628 11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.773 -15.245 9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.540 -15.448 11.549 1.00 0.00 H new ATOM 1064 N GLY A 71 -0.220 -16.279 10.760 1.00 0.00 N ATOM 1065 CA GLY A 71 -1.289 -17.266 10.539 1.00 0.00 C ATOM 1066 C GLY A 71 -2.247 -16.928 9.390 1.00 0.00 C ATOM 1067 O GLY A 71 -2.961 -17.817 8.928 1.00 0.00 O ATOM 0 H GLY A 71 -0.538 -15.456 11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.833 -18.236 10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.867 -17.367 11.458 1.00 0.00 H new ATOM 1071 N CYS A 72 -2.278 -15.669 8.934 1.00 0.00 N ATOM 1072 CA CYS A 72 -3.234 -15.148 7.947 1.00 0.00 C ATOM 1073 C CYS A 72 -2.542 -14.375 6.810 1.00 0.00 C ATOM 1074 O CYS A 72 -1.535 -13.700 7.034 1.00 0.00 O ATOM 1075 CB CYS A 72 -4.198 -14.183 8.660 1.00 0.00 C ATOM 1076 SG CYS A 72 -5.133 -15.012 9.980 1.00 0.00 S ATOM 0 H CYS A 72 -1.616 -14.961 9.252 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.755 -16.000 7.511 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.633 -13.352 9.082 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.892 -13.761 7.934 1.00 0.00 H new ATOM 0 HG CYS A 72 -5.929 -14.157 10.551 1.00 0.00 H new ATOM 1082 N CYS A 73 -3.118 -14.415 5.601 1.00 0.00 N ATOM 1083 CA CYS A 73 -2.707 -13.544 4.489 1.00 0.00 C ATOM 1084 C CYS A 73 -3.269 -12.122 4.714 1.00 0.00 C ATOM 1085 O CYS A 73 -4.249 -11.952 5.445 1.00 0.00 O ATOM 1086 CB CYS A 73 -3.153 -14.153 3.144 1.00 0.00 C ATOM 1087 SG CYS A 73 -2.461 -15.823 2.936 1.00 0.00 S ATOM 0 H CYS A 73 -3.880 -15.050 5.365 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.620 -13.466 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.241 -14.197 3.101 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.827 -13.514 2.323 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.852 -16.316 1.798 1.00 0.00 H new ATOM 1093 N TYR A 74 -2.667 -11.093 4.109 1.00 0.00 N ATOM 1094 CA TYR A 74 -2.995 -9.691 4.431 1.00 0.00 C ATOM 1095 C TYR A 74 -2.642 -8.664 3.338 1.00 0.00 C ATOM 1096 O TYR A 74 -1.962 -9.012 2.370 1.00 0.00 O ATOM 1097 CB TYR A 74 -2.338 -9.314 5.779 1.00 0.00 C ATOM 1098 CG TYR A 74 -0.833 -9.107 5.740 1.00 0.00 C ATOM 1099 CD1 TYR A 74 0.035 -10.217 5.710 1.00 0.00 C ATOM 1100 CD2 TYR A 74 -0.295 -7.804 5.751 1.00 0.00 C ATOM 1101 CE1 TYR A 74 1.431 -10.027 5.694 1.00 0.00 C ATOM 1102 CE2 TYR A 74 1.098 -7.608 5.752 1.00 0.00 C ATOM 1103 CZ TYR A 74 1.966 -8.722 5.727 1.00 0.00 C ATOM 1104 OH TYR A 74 3.312 -8.536 5.704 1.00 0.00 O ATOM 0 H TYR A 74 -1.949 -11.200 3.393 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.082 -9.642 4.500 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.803 -8.399 6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.560 -10.098 6.503 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.372 -11.217 5.699 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -0.957 -6.951 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.092 -10.881 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.503 -6.607 5.772 1.00 0.00 H new ATOM 0 HH TYR A 74 3.511 -7.617 5.429 1.00 0.00 H new ATOM 1114 N ARG A 75 -3.069 -7.399 3.531 1.00 0.00 N ATOM 1115 CA ARG A 75 -2.705 -6.179 2.763 1.00 0.00 C ATOM 1116 C ARG A 75 -3.311 -4.898 3.371 1.00 0.00 C ATOM 1117 O ARG A 75 -4.326 -4.977 4.054 1.00 0.00 O ATOM 1118 CB ARG A 75 -2.977 -6.276 1.239 1.00 0.00 C ATOM 1119 CG ARG A 75 -4.447 -6.282 0.800 1.00 0.00 C ATOM 1120 CD ARG A 75 -5.179 -7.552 1.233 1.00 0.00 C ATOM 1121 NE ARG A 75 -6.540 -7.598 0.677 1.00 0.00 N ATOM 1122 CZ ARG A 75 -6.956 -8.162 -0.449 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -6.154 -8.779 -1.292 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -8.237 -8.089 -0.717 1.00 0.00 N ATOM 0 H ARG A 75 -3.725 -7.182 4.281 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.621 -6.109 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.480 -5.438 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.507 -7.186 0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.953 -5.413 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.500 -6.187 -0.285 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.619 -8.427 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.226 -7.594 2.321 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.260 -7.134 1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.155 -8.841 -1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.531 -9.195 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.867 -7.613 -0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.604 -8.508 -1.572 1.00 0.00 H new ATOM 1138 N VAL A 76 -2.717 -3.728 3.134 1.00 0.00 N ATOM 1139 CA VAL A 76 -3.219 -2.417 3.630 1.00 0.00 C ATOM 1140 C VAL A 76 -4.406 -1.928 2.787 1.00 0.00 C ATOM 1141 O VAL A 76 -4.451 -2.180 1.581 1.00 0.00 O ATOM 1142 CB VAL A 76 -2.084 -1.363 3.671 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -2.575 0.072 3.931 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -1.088 -1.747 4.778 1.00 0.00 C ATOM 0 H VAL A 76 -1.861 -3.648 2.586 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.573 -2.558 4.651 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.622 -1.366 2.684 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.723 0.751 3.945 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -3.263 0.370 3.140 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.087 0.113 4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.284 -1.011 4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.603 -1.771 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.670 -2.731 4.566 1.00 0.00 H new ATOM 1154 N ASN A 77 -5.358 -1.224 3.418 1.00 0.00 N ATOM 1155 CA ASN A 77 -6.607 -0.783 2.786 1.00 0.00 C ATOM 1156 C ASN A 77 -6.927 0.719 2.995 1.00 0.00 C ATOM 1157 O ASN A 77 -6.721 1.523 2.087 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.707 -1.740 3.273 1.00 0.00 C ATOM 1159 CG ASN A 77 -9.063 -1.425 2.658 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -9.868 -0.729 3.255 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -9.339 -1.895 1.456 1.00 0.00 N ATOM 0 H ASN A 77 -5.279 -0.942 4.395 1.00 0.00 H new ATOM 0 HA ASN A 77 -6.520 -0.840 1.701 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.429 -2.765 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.781 -1.682 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.233 -1.677 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -8.658 -2.476 0.967 1.00 0.00 H new ATOM 1168 N ASN A 78 -7.484 1.088 4.154 1.00 0.00 N ATOM 1169 CA ASN A 78 -8.044 2.417 4.487 1.00 0.00 C ATOM 1170 C ASN A 78 -9.060 2.916 3.428 1.00 0.00 C ATOM 1171 O ASN A 78 -8.930 4.031 2.923 1.00 0.00 O ATOM 1172 CB ASN A 78 -6.964 3.498 4.754 1.00 0.00 C ATOM 1173 CG ASN A 78 -5.822 3.158 5.700 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -5.627 2.033 6.136 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -5.023 4.152 6.034 1.00 0.00 N ATOM 0 H ASN A 78 -7.564 0.435 4.934 1.00 0.00 H new ATOM 0 HA ASN A 78 -8.578 2.263 5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.529 3.777 3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -7.468 4.382 5.145 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.236 3.985 6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -5.192 5.088 5.666 1.00 0.00 H new ATOM 1182 N SER A 79 -10.042 2.102 3.037 1.00 0.00 N ATOM 1183 CA SER A 79 -10.980 2.393 1.933 1.00 0.00 C ATOM 1184 C SER A 79 -11.613 3.787 2.023 1.00 0.00 C ATOM 1185 O SER A 79 -11.429 4.614 1.134 1.00 0.00 O ATOM 1186 CB SER A 79 -12.062 1.302 1.867 1.00 0.00 C ATOM 1187 OG SER A 79 -12.688 1.112 3.130 1.00 0.00 O ATOM 0 H SER A 79 -10.217 1.202 3.483 1.00 0.00 H new ATOM 0 HA SER A 79 -10.398 2.390 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.812 1.576 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.615 0.364 1.536 1.00 0.00 H new ATOM 0 HG SER A 79 -13.371 0.414 3.055 1.00 0.00 H new ATOM 1193 N LEU A 80 -12.286 4.097 3.132 1.00 0.00 N ATOM 1194 CA LEU A 80 -12.969 5.382 3.358 1.00 0.00 C ATOM 1195 C LEU A 80 -12.012 6.588 3.385 1.00 0.00 C ATOM 1196 O LEU A 80 -12.389 7.694 3.003 1.00 0.00 O ATOM 1197 CB LEU A 80 -13.813 5.271 4.644 1.00 0.00 C ATOM 1198 CG LEU A 80 -15.246 4.757 4.384 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -15.321 3.447 3.587 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -15.974 4.597 5.725 1.00 0.00 C ATOM 0 H LEU A 80 -12.376 3.452 3.917 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.624 5.578 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -13.314 4.600 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.865 6.249 5.123 1.00 0.00 H new ATOM 0 HG LEU A 80 -15.731 5.506 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -16.365 3.162 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -14.854 3.587 2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -14.797 2.660 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.987 4.234 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.436 3.882 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -16.017 5.561 6.233 1.00 0.00 H new ATOM 1212 N ASP A 81 -10.752 6.367 3.760 1.00 0.00 N ATOM 1213 CA ASP A 81 -9.692 7.385 3.712 1.00 0.00 C ATOM 1214 C ASP A 81 -9.246 7.696 2.268 1.00 0.00 C ATOM 1215 O ASP A 81 -8.792 8.804 1.981 1.00 0.00 O ATOM 1216 CB ASP A 81 -8.523 6.893 4.582 1.00 0.00 C ATOM 1217 CG ASP A 81 -7.852 7.991 5.420 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -6.870 8.606 4.942 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -8.255 8.134 6.602 1.00 0.00 O ATOM 0 H ASP A 81 -10.430 5.465 4.111 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.074 8.328 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.887 6.113 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.773 6.435 3.937 1.00 0.00 H new ATOM 1224 N HIS A 82 -9.431 6.745 1.343 1.00 0.00 N ATOM 1225 CA HIS A 82 -9.249 6.942 -0.101 1.00 0.00 C ATOM 1226 C HIS A 82 -10.542 7.416 -0.805 1.00 0.00 C ATOM 1227 O HIS A 82 -10.457 8.167 -1.782 1.00 0.00 O ATOM 1228 CB HIS A 82 -8.736 5.639 -0.731 1.00 0.00 C ATOM 1229 CG HIS A 82 -7.336 5.265 -0.305 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -6.980 4.639 0.866 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -6.183 5.480 -1.012 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -5.644 4.481 0.867 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -5.108 4.982 -0.262 1.00 0.00 N ATOM 0 H HIS A 82 -9.718 5.796 1.583 1.00 0.00 H new ATOM 0 HA HIS A 82 -8.515 7.736 -0.239 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -9.415 4.828 -0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.761 5.737 -1.816 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -7.618 4.345 1.606 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.114 5.952 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -5.080 4.017 1.663 1.00 0.00 H new ATOM 1241 N GLU A 83 -11.727 7.024 -0.315 1.00 0.00 N ATOM 1242 CA GLU A 83 -13.021 7.528 -0.804 1.00 0.00 C ATOM 1243 C GLU A 83 -13.190 9.030 -0.533 1.00 0.00 C ATOM 1244 O GLU A 83 -13.732 9.751 -1.375 1.00 0.00 O ATOM 1245 CB GLU A 83 -14.203 6.774 -0.175 1.00 0.00 C ATOM 1246 CG GLU A 83 -14.333 5.310 -0.613 1.00 0.00 C ATOM 1247 CD GLU A 83 -14.716 5.189 -2.095 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -15.909 5.376 -2.433 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -13.834 4.885 -2.933 1.00 0.00 O ATOM 0 H GLU A 83 -11.816 6.342 0.438 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.021 7.358 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.102 6.807 0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.126 7.298 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.389 4.793 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -15.086 4.813 -0.001 1.00 0.00 H new ATOM 1256 N TYR A 84 -12.708 9.505 0.622 1.00 0.00 N ATOM 1257 CA TYR A 84 -12.832 10.906 1.046 1.00 0.00 C ATOM 1258 C TYR A 84 -11.801 11.384 2.089 1.00 0.00 C ATOM 1259 O TYR A 84 -10.992 12.258 1.772 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.281 11.248 1.478 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.193 10.101 1.900 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -15.029 9.472 3.150 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -16.235 9.682 1.046 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -15.878 8.423 3.541 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -17.107 8.652 1.444 1.00 0.00 C ATOM 1266 CZ TYR A 84 -16.935 8.020 2.695 1.00 0.00 C ATOM 1267 OH TYR A 84 -17.806 7.045 3.083 1.00 0.00 O ATOM 0 H TYR A 84 -12.215 8.921 1.297 1.00 0.00 H new ATOM 0 HA TYR A 84 -12.587 11.476 0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -14.224 11.952 2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.762 11.769 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -14.243 9.799 3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -16.364 10.154 0.083 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.723 7.926 4.487 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -17.910 8.344 0.791 1.00 0.00 H new ATOM 0 HH TYR A 84 -18.469 6.898 2.376 1.00 0.00 H new ATOM 1277 N GLN A 85 -11.893 10.943 3.350 1.00 0.00 N ATOM 1278 CA GLN A 85 -11.520 11.826 4.470 1.00 0.00 C ATOM 1279 C GLN A 85 -10.040 11.693 4.909 1.00 0.00 C ATOM 1280 O GLN A 85 -9.606 10.580 5.202 1.00 0.00 O ATOM 1281 CB GLN A 85 -12.520 11.678 5.644 1.00 0.00 C ATOM 1282 CG GLN A 85 -12.204 10.663 6.758 1.00 0.00 C ATOM 1283 CD GLN A 85 -12.306 9.185 6.389 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -13.389 8.653 6.200 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -11.210 8.457 6.328 1.00 0.00 N ATOM 0 H GLN A 85 -12.211 10.012 3.619 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.594 12.849 4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.631 12.657 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.490 11.415 5.222 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.193 10.855 7.116 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.879 10.853 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.300 8.891 6.484 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.271 7.459 6.125 1.00 0.00 H new ATOM 1294 N PRO A 86 -9.273 12.796 5.047 1.00 0.00 N ATOM 1295 CA PRO A 86 -7.936 12.791 5.641 1.00 0.00 C ATOM 1296 C PRO A 86 -8.027 12.925 7.175 1.00 0.00 C ATOM 1297 O PRO A 86 -7.646 13.942 7.759 1.00 0.00 O ATOM 1298 CB PRO A 86 -7.216 13.965 4.964 1.00 0.00 C ATOM 1299 CG PRO A 86 -8.338 14.995 4.813 1.00 0.00 C ATOM 1300 CD PRO A 86 -9.571 14.131 4.532 1.00 0.00 C ATOM 0 HA PRO A 86 -7.389 11.862 5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.396 14.344 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.793 13.681 4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.462 15.591 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.139 15.690 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.454 14.546 5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.784 14.095 3.464 1.00 0.00 H new ATOM 1308 N ARG A 87 -8.570 11.899 7.845 1.00 0.00 N ATOM 1309 CA ARG A 87 -8.762 11.903 9.306 1.00 0.00 C ATOM 1310 C ARG A 87 -7.401 11.901 10.050 1.00 0.00 C ATOM 1311 O ARG A 87 -6.517 11.132 9.654 1.00 0.00 O ATOM 1312 CB ARG A 87 -9.656 10.715 9.723 1.00 0.00 C ATOM 1313 CG ARG A 87 -10.090 10.828 11.199 1.00 0.00 C ATOM 1314 CD ARG A 87 -11.203 9.876 11.662 1.00 0.00 C ATOM 1315 NE ARG A 87 -11.726 10.351 12.963 1.00 0.00 N ATOM 1316 CZ ARG A 87 -12.051 9.666 14.054 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -11.966 8.356 14.142 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -12.498 10.317 15.105 1.00 0.00 N ATOM 0 H ARG A 87 -8.889 11.043 7.392 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.272 12.823 9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.539 10.680 9.084 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.116 9.780 9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -9.214 10.659 11.826 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.419 11.851 11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.003 9.843 10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.816 8.862 11.758 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.857 11.360 13.033 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.636 7.812 13.345 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -12.230 7.885 15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -12.591 11.332 15.075 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.752 9.807 15.951 1.00 0.00 H new ATOM 1332 N PRO A 88 -7.220 12.699 11.131 1.00 0.00 N ATOM 1333 CA PRO A 88 -6.016 12.656 11.967 1.00 0.00 C ATOM 1334 C PRO A 88 -5.874 11.282 12.624 1.00 0.00 C ATOM 1335 O PRO A 88 -6.772 10.815 13.326 1.00 0.00 O ATOM 1336 CB PRO A 88 -6.166 13.774 13.003 1.00 0.00 C ATOM 1337 CG PRO A 88 -7.681 13.941 13.102 1.00 0.00 C ATOM 1338 CD PRO A 88 -8.118 13.721 11.657 1.00 0.00 C ATOM 0 HA PRO A 88 -5.110 12.808 11.380 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -5.726 13.499 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.678 14.693 12.680 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.129 13.213 13.779 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.960 14.930 13.467 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -9.157 13.395 11.606 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.045 14.643 11.080 1.00 0.00 H new ATOM 1346 N VAL A 89 -4.735 10.629 12.385 1.00 0.00 N ATOM 1347 CA VAL A 89 -4.516 9.218 12.750 1.00 0.00 C ATOM 1348 C VAL A 89 -4.527 9.002 14.263 1.00 0.00 C ATOM 1349 O VAL A 89 -5.028 7.977 14.703 1.00 0.00 O ATOM 1350 CB VAL A 89 -3.246 8.669 12.050 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -2.552 7.521 12.803 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -3.642 8.220 10.630 1.00 0.00 C ATOM 0 H VAL A 89 -3.931 11.062 11.931 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.358 8.632 12.381 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.511 9.473 12.027 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.674 7.198 12.244 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.246 7.866 13.791 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.243 6.685 12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.765 7.829 10.114 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.403 7.442 10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.039 9.071 10.077 1.00 0.00 H new ATOM 1362 N GLU A 90 -4.093 9.969 15.071 1.00 0.00 N ATOM 1363 CA GLU A 90 -4.061 9.859 16.539 1.00 0.00 C ATOM 1364 C GLU A 90 -5.430 9.493 17.128 1.00 0.00 C ATOM 1365 O GLU A 90 -5.528 8.679 18.045 1.00 0.00 O ATOM 1366 CB GLU A 90 -3.596 11.186 17.166 1.00 0.00 C ATOM 1367 CG GLU A 90 -2.249 11.698 16.645 1.00 0.00 C ATOM 1368 CD GLU A 90 -2.396 12.674 15.464 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -2.608 12.214 14.318 1.00 0.00 O ATOM 1370 OE2 GLU A 90 -2.302 13.905 15.684 1.00 0.00 O ATOM 0 H GLU A 90 -3.748 10.865 14.725 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.360 9.059 16.775 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.355 11.946 16.981 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -3.529 11.059 18.246 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.716 12.194 17.456 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.639 10.850 16.335 1.00 0.00 H new ATOM 1377 N VAL A 91 -6.500 10.041 16.549 1.00 0.00 N ATOM 1378 CA VAL A 91 -7.879 9.834 17.026 1.00 0.00 C ATOM 1379 C VAL A 91 -8.413 8.458 16.584 1.00 0.00 C ATOM 1380 O VAL A 91 -9.191 7.837 17.301 1.00 0.00 O ATOM 1381 CB VAL A 91 -8.799 11.004 16.590 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -10.123 10.981 17.369 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -8.116 12.370 16.816 1.00 0.00 C ATOM 0 H VAL A 91 -6.439 10.646 15.730 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.874 9.832 18.116 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.997 10.873 15.526 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.750 11.811 17.045 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.640 10.040 17.180 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.919 11.075 18.436 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.787 13.169 16.500 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.882 12.489 17.874 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.196 12.418 16.233 1.00 0.00 H new ATOM 1393 N ILE A 92 -7.927 7.927 15.454 1.00 0.00 N ATOM 1394 CA ILE A 92 -8.173 6.537 15.009 1.00 0.00 C ATOM 1395 C ILE A 92 -7.437 5.542 15.924 1.00 0.00 C ATOM 1396 O ILE A 92 -8.045 4.573 16.372 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.758 6.401 13.522 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -8.675 7.263 12.628 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -7.818 4.939 13.046 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -7.973 7.766 11.364 1.00 0.00 C ATOM 0 H ILE A 92 -7.341 8.456 14.808 1.00 0.00 H new ATOM 0 HA ILE A 92 -9.234 6.299 15.084 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.728 6.749 13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.550 6.679 12.343 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.035 8.117 13.202 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.520 4.885 11.999 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -7.141 4.332 13.648 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.835 4.563 13.154 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.668 8.366 10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.114 8.376 11.643 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.637 6.915 10.771 1.00 0.00 H new ATOM 1412 N ILE A 93 -6.170 5.815 16.272 1.00 0.00 N ATOM 1413 CA ILE A 93 -5.380 5.018 17.238 1.00 0.00 C ATOM 1414 C ILE A 93 -6.091 4.994 18.598 1.00 0.00 C ATOM 1415 O ILE A 93 -6.255 3.935 19.195 1.00 0.00 O ATOM 1416 CB ILE A 93 -3.940 5.590 17.378 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -3.142 5.650 16.050 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -3.132 4.841 18.454 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -2.567 4.335 15.535 1.00 0.00 C ATOM 0 H ILE A 93 -5.653 6.606 15.888 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.298 3.996 16.867 1.00 0.00 H new ATOM 0 HB ILE A 93 -4.084 6.624 17.692 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -3.795 6.061 15.280 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.319 6.353 16.179 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.132 5.269 18.522 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -3.634 4.935 19.417 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.058 3.787 18.185 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.033 4.512 14.602 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.879 3.924 16.274 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.377 3.627 15.361 1.00 0.00 H new ATOM 1431 N SER A 94 -6.548 6.154 19.070 1.00 0.00 N ATOM 1432 CA SER A 94 -7.271 6.282 20.341 1.00 0.00 C ATOM 1433 C SER A 94 -8.612 5.529 20.307 1.00 0.00 C ATOM 1434 O SER A 94 -8.959 4.824 21.256 1.00 0.00 O ATOM 1435 CB SER A 94 -7.482 7.773 20.647 1.00 0.00 C ATOM 1436 OG SER A 94 -8.012 7.968 21.947 1.00 0.00 O ATOM 0 H SER A 94 -6.427 7.040 18.579 1.00 0.00 H new ATOM 0 HA SER A 94 -6.676 5.829 21.134 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.533 8.301 20.557 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.158 8.205 19.909 1.00 0.00 H new ATOM 0 HG SER A 94 -8.133 8.927 22.111 1.00 0.00 H new ATOM 1442 N SER A 95 -9.348 5.596 19.190 1.00 0.00 N ATOM 1443 CA SER A 95 -10.590 4.842 18.990 1.00 0.00 C ATOM 1444 C SER A 95 -10.348 3.326 19.048 1.00 0.00 C ATOM 1445 O SER A 95 -11.068 2.612 19.744 1.00 0.00 O ATOM 1446 CB SER A 95 -11.247 5.257 17.664 1.00 0.00 C ATOM 1447 OG SER A 95 -12.551 4.709 17.560 1.00 0.00 O ATOM 0 H SER A 95 -9.095 6.181 18.393 1.00 0.00 H new ATOM 0 HA SER A 95 -11.273 5.082 19.805 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.297 6.344 17.601 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.636 4.918 16.827 1.00 0.00 H new ATOM 0 HG SER A 95 -12.955 4.985 16.711 1.00 0.00 H new ATOM 1453 N ALA A 96 -9.286 2.823 18.410 1.00 0.00 N ATOM 1454 CA ALA A 96 -8.920 1.405 18.462 1.00 0.00 C ATOM 1455 C ALA A 96 -8.555 0.957 19.893 1.00 0.00 C ATOM 1456 O ALA A 96 -9.060 -0.059 20.384 1.00 0.00 O ATOM 1457 CB ALA A 96 -7.795 1.196 17.439 1.00 0.00 C ATOM 0 H ALA A 96 -8.655 3.389 17.842 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.765 0.769 18.197 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.489 0.150 17.443 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.152 1.466 16.445 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.943 1.824 17.701 1.00 0.00 H new ATOM 1463 N LYS A 97 -7.756 1.760 20.605 1.00 0.00 N ATOM 1464 CA LYS A 97 -7.415 1.544 22.019 1.00 0.00 C ATOM 1465 C LYS A 97 -8.634 1.622 22.967 1.00 0.00 C ATOM 1466 O LYS A 97 -8.623 0.975 24.017 1.00 0.00 O ATOM 1467 CB LYS A 97 -6.328 2.553 22.432 1.00 0.00 C ATOM 1468 CG LYS A 97 -4.955 2.217 21.820 1.00 0.00 C ATOM 1469 CD LYS A 97 -3.905 3.255 22.242 1.00 0.00 C ATOM 1470 CE LYS A 97 -2.526 2.887 21.669 1.00 0.00 C ATOM 1471 NZ LYS A 97 -1.465 3.823 22.137 1.00 0.00 N ATOM 0 H LYS A 97 -7.320 2.593 20.209 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.040 0.525 22.115 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.627 3.554 22.120 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.245 2.569 23.519 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.641 1.224 22.141 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.032 2.191 20.733 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.200 4.244 21.890 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.852 3.306 23.329 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.269 1.870 21.964 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.569 2.902 20.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.550 3.542 21.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.697 4.790 21.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.406 3.790 23.175 1.00 0.00 H new ATOM 1485 N GLU A 98 -9.702 2.338 22.601 1.00 0.00 N ATOM 1486 CA GLU A 98 -10.987 2.321 23.308 1.00 0.00 C ATOM 1487 C GLU A 98 -11.869 1.113 22.927 1.00 0.00 C ATOM 1488 O GLU A 98 -12.567 0.569 23.783 1.00 0.00 O ATOM 1489 CB GLU A 98 -11.754 3.635 23.068 1.00 0.00 C ATOM 1490 CG GLU A 98 -11.165 4.829 23.832 1.00 0.00 C ATOM 1491 CD GLU A 98 -11.388 4.712 25.347 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -12.517 4.986 25.818 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -10.432 4.359 26.080 1.00 0.00 O ATOM 0 H GLU A 98 -9.698 2.957 21.790 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.755 2.223 24.369 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.753 3.859 22.001 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.794 3.500 23.364 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.097 4.898 23.628 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.619 5.751 23.469 1.00 0.00 H new ATOM 1500 N MET A 99 -11.831 0.671 21.663 1.00 0.00 N ATOM 1501 CA MET A 99 -12.657 -0.434 21.147 1.00 0.00 C ATOM 1502 C MET A 99 -12.216 -1.821 21.622 1.00 0.00 C ATOM 1503 O MET A 99 -13.069 -2.691 21.777 1.00 0.00 O ATOM 1504 CB MET A 99 -12.719 -0.391 19.611 1.00 0.00 C ATOM 1505 CG MET A 99 -13.692 0.680 19.098 1.00 0.00 C ATOM 1506 SD MET A 99 -15.442 0.466 19.534 1.00 0.00 S ATOM 1507 CE MET A 99 -15.802 -1.076 18.655 1.00 0.00 C ATOM 0 H MET A 99 -11.216 1.076 20.957 1.00 0.00 H new ATOM 0 HA MET A 99 -13.652 -0.277 21.563 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.723 -0.194 19.215 1.00 0.00 H new ATOM 0 HB3 MET A 99 -13.025 -1.367 19.234 1.00 0.00 H new ATOM 0 HG2 MET A 99 -13.363 1.648 19.476 1.00 0.00 H new ATOM 0 HG3 MET A 99 -13.614 0.719 18.011 1.00 0.00 H new ATOM 0 HE1 MET A 99 -16.878 -1.251 18.653 1.00 0.00 H new ATOM 0 HE2 MET A 99 -15.444 -1.001 17.628 1.00 0.00 H new ATOM 0 HE3 MET A 99 -15.301 -1.905 19.154 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.925 -2.047 21.884 1.00 0.00 N ATOM 1518 CA VAL A 100 -10.461 -3.305 22.506 1.00 0.00 C ATOM 1519 C VAL A 100 -11.197 -3.576 23.826 1.00 0.00 C ATOM 1520 O VAL A 100 -11.263 -2.730 24.717 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.926 -3.412 22.649 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -8.264 -2.193 23.304 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.497 -4.686 23.390 1.00 0.00 C ATOM 0 H VAL A 100 -10.180 -1.382 21.678 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.724 -4.100 21.808 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.570 -3.455 21.620 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.187 -2.352 23.365 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.466 -1.304 22.706 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.667 -2.055 24.307 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.410 -4.715 23.465 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.930 -4.688 24.390 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.846 -5.561 22.842 1.00 0.00 H new ATOM 1533 N GLY A 101 -11.773 -4.780 23.905 1.00 0.00 N ATOM 1534 CA GLY A 101 -12.645 -5.250 24.987 1.00 0.00 C ATOM 1535 C GLY A 101 -14.138 -5.250 24.638 1.00 0.00 C ATOM 1536 O GLY A 101 -14.928 -5.803 25.404 1.00 0.00 O ATOM 0 H GLY A 101 -11.638 -5.487 23.182 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.348 -6.262 25.264 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.489 -4.621 25.863 1.00 0.00 H new ATOM 1540 N GLN A 102 -14.542 -4.664 23.505 1.00 0.00 N ATOM 1541 CA GLN A 102 -15.924 -4.692 23.029 1.00 0.00 C ATOM 1542 C GLN A 102 -16.218 -5.987 22.263 1.00 0.00 C ATOM 1543 O GLN A 102 -15.402 -6.474 21.477 1.00 0.00 O ATOM 1544 CB GLN A 102 -16.216 -3.481 22.119 1.00 0.00 C ATOM 1545 CG GLN A 102 -16.114 -2.114 22.824 1.00 0.00 C ATOM 1546 CD GLN A 102 -17.163 -1.876 23.917 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -18.119 -2.621 24.105 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -17.028 -0.815 24.689 1.00 0.00 N ATOM 0 H GLN A 102 -13.910 -4.153 22.889 1.00 0.00 H new ATOM 0 HA GLN A 102 -16.571 -4.645 23.905 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -15.520 -3.496 21.280 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -17.218 -3.588 21.703 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.122 -2.022 23.266 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -16.204 -1.327 22.075 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.241 -0.181 24.551 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.711 -0.629 25.424 1.00 0.00 H new ATOM 1557 N LYS A 103 -17.425 -6.516 22.470 1.00 0.00 N ATOM 1558 CA LYS A 103 -18.020 -7.619 21.704 1.00 0.00 C ATOM 1559 C LYS A 103 -19.088 -7.100 20.718 1.00 0.00 C ATOM 1560 O LYS A 103 -19.705 -6.059 20.957 1.00 0.00 O ATOM 1561 CB LYS A 103 -18.638 -8.655 22.664 1.00 0.00 C ATOM 1562 CG LYS A 103 -17.606 -9.486 23.446 1.00 0.00 C ATOM 1563 CD LYS A 103 -18.343 -10.475 24.365 1.00 0.00 C ATOM 1564 CE LYS A 103 -17.432 -11.490 25.074 1.00 0.00 C ATOM 1565 NZ LYS A 103 -16.494 -10.859 26.042 1.00 0.00 N ATOM 0 H LYS A 103 -18.043 -6.175 23.206 1.00 0.00 H new ATOM 0 HA LYS A 103 -17.230 -8.096 21.124 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -19.283 -8.137 23.374 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -19.273 -9.331 22.091 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -16.958 -10.026 22.756 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -16.966 -8.830 24.037 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -18.892 -9.910 25.119 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -19.080 -11.019 23.775 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -18.050 -12.219 25.599 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -16.858 -12.038 24.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.343 -11.500 26.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.585 -10.672 25.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.898 -9.963 26.383 1.00 0.00 H new ATOM 1579 N MET A 104 -19.346 -7.844 19.632 1.00 0.00 N ATOM 1580 CA MET A 104 -20.357 -7.497 18.611 1.00 0.00 C ATOM 1581 C MET A 104 -20.788 -8.667 17.717 1.00 0.00 C ATOM 1582 O MET A 104 -20.027 -9.597 17.452 1.00 0.00 O ATOM 1583 CB MET A 104 -19.890 -6.294 17.762 1.00 0.00 C ATOM 1584 CG MET A 104 -18.556 -6.540 17.043 1.00 0.00 C ATOM 1585 SD MET A 104 -18.055 -5.204 15.931 1.00 0.00 S ATOM 1586 CE MET A 104 -17.550 -3.953 17.138 1.00 0.00 C ATOM 0 H MET A 104 -18.855 -8.715 19.432 1.00 0.00 H new ATOM 0 HA MET A 104 -21.251 -7.220 19.170 1.00 0.00 H new ATOM 0 HB2 MET A 104 -20.656 -6.061 17.022 1.00 0.00 H new ATOM 0 HB3 MET A 104 -19.792 -5.420 18.406 1.00 0.00 H new ATOM 0 HG2 MET A 104 -17.776 -6.688 17.790 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.630 -7.465 16.471 1.00 0.00 H new ATOM 0 HE1 MET A 104 -17.161 -3.079 16.615 1.00 0.00 H new ATOM 0 HE2 MET A 104 -18.410 -3.662 17.742 1.00 0.00 H new ATOM 0 HE3 MET A 104 -16.775 -4.364 17.785 1.00 0.00 H new ATOM 1596 N LYS A 105 -22.019 -8.584 17.209 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.665 -9.577 16.331 1.00 0.00 C ATOM 1598 C LYS A 105 -23.680 -8.881 15.389 1.00 0.00 C ATOM 1599 O LYS A 105 -24.802 -9.341 15.173 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.283 -10.680 17.221 1.00 0.00 C ATOM 1601 CG LYS A 105 -23.391 -12.023 16.486 1.00 0.00 C ATOM 1602 CD LYS A 105 -24.081 -13.076 17.367 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.886 -14.502 16.831 1.00 0.00 C ATOM 1604 NZ LYS A 105 -24.640 -14.750 15.570 1.00 0.00 N ATOM 0 H LYS A 105 -22.626 -7.788 17.404 1.00 0.00 H new ATOM 0 HA LYS A 105 -21.942 -10.057 15.671 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -22.675 -10.806 18.117 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.274 -10.367 17.550 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -23.953 -11.892 15.561 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -22.396 -12.371 16.208 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -23.686 -13.014 18.381 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -25.147 -12.855 17.426 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -22.825 -14.678 16.656 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -24.207 -15.217 17.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -24.473 -15.726 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -25.656 -14.610 15.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -24.317 -14.087 14.836 1.00 0.00 H new ATOM 1618 N TYR A 106 -23.282 -7.711 14.871 1.00 0.00 N ATOM 1619 CA TYR A 106 -24.123 -6.753 14.131 1.00 0.00 C ATOM 1620 C TYR A 106 -24.732 -7.288 12.818 1.00 0.00 C ATOM 1621 O TYR A 106 -25.783 -6.818 12.383 1.00 0.00 O ATOM 1622 CB TYR A 106 -23.242 -5.520 13.856 1.00 0.00 C ATOM 1623 CG TYR A 106 -23.826 -4.486 12.913 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -24.845 -3.616 13.349 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -23.347 -4.396 11.590 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -25.378 -2.651 12.472 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -23.872 -3.431 10.709 1.00 0.00 C ATOM 1628 CZ TYR A 106 -24.892 -2.556 11.147 1.00 0.00 C ATOM 1629 OH TYR A 106 -25.395 -1.625 10.288 1.00 0.00 O ATOM 0 H TYR A 106 -22.318 -7.389 14.960 1.00 0.00 H new ATOM 0 HA TYR A 106 -24.994 -6.525 14.745 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -23.024 -5.034 14.807 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -22.291 -5.861 13.447 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -25.219 -3.689 14.360 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -22.574 -5.070 11.251 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -26.157 -1.984 12.811 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -23.496 -3.360 9.699 1.00 0.00 H new ATOM 0 HH TYR A 106 -24.944 -1.702 9.421 1.00 0.00 H new ATOM 1639 N SER A 107 -24.070 -8.241 12.159 1.00 0.00 N ATOM 1640 CA SER A 107 -24.375 -8.754 10.808 1.00 0.00 C ATOM 1641 C SER A 107 -23.497 -9.986 10.489 1.00 0.00 C ATOM 1642 O SER A 107 -22.813 -10.502 11.378 1.00 0.00 O ATOM 1643 CB SER A 107 -24.131 -7.622 9.782 1.00 0.00 C ATOM 1644 OG SER A 107 -25.178 -6.666 9.768 1.00 0.00 O ATOM 0 H SER A 107 -23.261 -8.706 12.570 1.00 0.00 H new ATOM 0 HA SER A 107 -25.417 -9.069 10.757 1.00 0.00 H new ATOM 0 HB2 SER A 107 -23.190 -7.122 10.014 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.025 -8.055 8.787 1.00 0.00 H new ATOM 0 HG SER A 107 -25.642 -6.677 10.631 1.00 0.00 H new ATOM 1650 N ILE A 108 -23.490 -10.457 9.228 1.00 0.00 N ATOM 1651 CA ILE A 108 -22.536 -11.475 8.734 1.00 0.00 C ATOM 1652 C ILE A 108 -21.086 -11.029 8.999 1.00 0.00 C ATOM 1653 O ILE A 108 -20.813 -9.831 9.002 1.00 0.00 O ATOM 1654 CB ILE A 108 -22.779 -11.797 7.235 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -22.612 -10.560 6.315 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -24.161 -12.456 7.070 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -22.707 -10.873 4.815 1.00 0.00 C ATOM 0 H ILE A 108 -24.149 -10.142 8.517 1.00 0.00 H new ATOM 0 HA ILE A 108 -22.705 -12.400 9.286 1.00 0.00 H new ATOM 0 HB ILE A 108 -22.009 -12.498 6.913 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -23.376 -9.826 6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -21.646 -10.098 6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -24.333 -12.683 6.018 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -24.196 -13.378 7.650 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -24.934 -11.774 7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -22.580 -9.954 4.243 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -21.926 -11.582 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -23.683 -11.305 4.595 1.00 0.00 H new ATOM 1669 N VAL A 109 -20.148 -11.965 9.190 1.00 0.00 N ATOM 1670 CA VAL A 109 -18.785 -11.643 9.681 1.00 0.00 C ATOM 1671 C VAL A 109 -18.049 -10.575 8.871 1.00 0.00 C ATOM 1672 O VAL A 109 -17.411 -9.712 9.462 1.00 0.00 O ATOM 1673 CB VAL A 109 -17.873 -12.879 9.873 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.522 -13.871 10.848 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -17.514 -13.610 8.568 1.00 0.00 C ATOM 0 H VAL A 109 -20.301 -12.958 9.014 1.00 0.00 H new ATOM 0 HA VAL A 109 -18.988 -11.220 10.665 1.00 0.00 H new ATOM 0 HB VAL A 109 -16.938 -12.491 10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -17.871 -14.736 10.974 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.674 -13.387 11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -19.483 -14.196 10.450 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -16.873 -14.463 8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -18.426 -13.959 8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -16.988 -12.927 7.901 1.00 0.00 H new ATOM 1685 N SER A 110 -18.190 -10.556 7.542 1.00 0.00 N ATOM 1686 CA SER A 110 -17.573 -9.529 6.694 1.00 0.00 C ATOM 1687 C SER A 110 -18.115 -8.127 7.014 1.00 0.00 C ATOM 1688 O SER A 110 -17.335 -7.193 7.228 1.00 0.00 O ATOM 1689 CB SER A 110 -17.791 -9.887 5.216 1.00 0.00 C ATOM 1690 OG SER A 110 -19.161 -10.140 4.931 1.00 0.00 O ATOM 0 H SER A 110 -18.732 -11.248 7.025 1.00 0.00 H new ATOM 0 HA SER A 110 -16.503 -9.505 6.900 1.00 0.00 H new ATOM 0 HB2 SER A 110 -17.434 -9.071 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 110 -17.199 -10.767 4.964 1.00 0.00 H new ATOM 0 HG SER A 110 -19.262 -10.363 3.982 1.00 0.00 H new ATOM 1696 N ARG A 111 -19.442 -7.983 7.156 1.00 0.00 N ATOM 1697 CA ARG A 111 -20.067 -6.727 7.584 1.00 0.00 C ATOM 1698 C ARG A 111 -19.792 -6.423 9.053 1.00 0.00 C ATOM 1699 O ARG A 111 -19.583 -5.267 9.377 1.00 0.00 O ATOM 1700 CB ARG A 111 -21.571 -6.720 7.280 1.00 0.00 C ATOM 1701 CG ARG A 111 -22.261 -5.370 7.595 1.00 0.00 C ATOM 1702 CD ARG A 111 -21.909 -4.239 6.618 1.00 0.00 C ATOM 1703 NE ARG A 111 -22.775 -3.070 6.867 1.00 0.00 N ATOM 1704 CZ ARG A 111 -22.530 -1.802 6.556 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -21.455 -1.436 5.895 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -23.386 -0.868 6.915 1.00 0.00 N ATOM 0 H ARG A 111 -20.109 -8.734 6.977 1.00 0.00 H new ATOM 0 HA ARG A 111 -19.608 -5.927 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -21.721 -6.958 6.227 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -22.054 -7.509 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -23.341 -5.517 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -21.987 -5.062 8.604 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -20.862 -3.958 6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -22.034 -4.582 5.591 1.00 0.00 H new ATOM 0 HE ARG A 111 -23.664 -3.257 7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -20.773 -2.136 5.602 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -21.302 -0.452 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -24.230 -1.120 7.428 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.205 0.108 6.680 1.00 0.00 H new ATOM 1720 N ASN A 112 -19.717 -7.407 9.941 1.00 0.00 N ATOM 1721 CA ASN A 112 -19.385 -7.201 11.364 1.00 0.00 C ATOM 1722 C ASN A 112 -17.977 -6.589 11.518 1.00 0.00 C ATOM 1723 O ASN A 112 -17.780 -5.611 12.234 1.00 0.00 O ATOM 1724 CB ASN A 112 -19.538 -8.554 12.089 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.747 -8.450 13.598 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -20.325 -7.506 14.115 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -19.324 -9.454 14.348 1.00 0.00 N ATOM 0 H ASN A 112 -19.885 -8.384 9.701 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.066 -6.483 11.821 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -20.382 -9.090 11.655 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.648 -9.155 11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.481 -9.439 15.356 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.841 -10.243 13.919 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.025 -7.086 10.726 1.00 0.00 N ATOM 1735 CA CYS A 113 -15.673 -6.558 10.545 1.00 0.00 C ATOM 1736 C CYS A 113 -15.668 -5.150 9.905 1.00 0.00 C ATOM 1737 O CYS A 113 -15.029 -4.238 10.428 1.00 0.00 O ATOM 1738 CB CYS A 113 -14.931 -7.626 9.717 1.00 0.00 C ATOM 1739 SG CYS A 113 -14.620 -9.071 10.758 1.00 0.00 S ATOM 0 H CYS A 113 -17.188 -7.919 10.160 1.00 0.00 H new ATOM 0 HA CYS A 113 -15.167 -6.393 11.496 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -15.526 -7.909 8.849 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.990 -7.224 9.341 1.00 0.00 H new ATOM 0 HG CYS A 113 -15.614 -9.902 10.655 1.00 0.00 H new ATOM 1745 N GLU A 114 -16.403 -4.947 8.806 1.00 0.00 N ATOM 1746 CA GLU A 114 -16.533 -3.639 8.144 1.00 0.00 C ATOM 1747 C GLU A 114 -17.179 -2.583 9.061 1.00 0.00 C ATOM 1748 O GLU A 114 -16.662 -1.481 9.199 1.00 0.00 O ATOM 1749 CB GLU A 114 -17.332 -3.817 6.846 1.00 0.00 C ATOM 1750 CG GLU A 114 -17.392 -2.547 5.992 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.171 -2.815 4.697 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -19.416 -2.940 4.764 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -17.546 -2.893 3.612 1.00 0.00 O ATOM 0 H GLU A 114 -16.929 -5.690 8.346 1.00 0.00 H new ATOM 0 HA GLU A 114 -15.536 -3.265 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -16.885 -4.620 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.347 -4.129 7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.871 -1.745 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.382 -2.212 5.755 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.267 -2.932 9.749 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.938 -2.141 10.787 1.00 0.00 C ATOM 1762 C HIS A 115 -17.934 -1.706 11.875 1.00 0.00 C ATOM 1763 O HIS A 115 -17.889 -0.533 12.267 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.069 -3.010 11.375 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.752 -2.471 12.606 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.718 -1.491 12.655 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.607 -2.956 13.880 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -22.137 -1.385 13.929 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -21.475 -2.250 14.722 1.00 0.00 N ATOM 0 H HIS A 115 -18.732 -3.826 9.589 1.00 0.00 H new ATOM 0 HA HIS A 115 -19.356 -1.227 10.365 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.823 -3.159 10.602 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.658 -3.991 11.613 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -19.938 -3.748 14.183 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.900 -0.700 14.269 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.584 -2.367 15.729 1.00 0.00 H new ATOM 1777 N PHE A 116 -17.090 -2.644 12.325 1.00 0.00 N ATOM 1778 CA PHE A 116 -16.000 -2.400 13.267 1.00 0.00 C ATOM 1779 C PHE A 116 -14.976 -1.383 12.727 1.00 0.00 C ATOM 1780 O PHE A 116 -14.802 -0.332 13.346 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.384 -3.759 13.653 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.940 -3.715 14.117 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.606 -3.101 15.338 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -12.921 -4.260 13.309 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -12.264 -3.028 15.749 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.578 -4.196 13.725 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.249 -3.581 14.946 1.00 0.00 C ATOM 0 H PHE A 116 -17.152 -3.619 12.033 1.00 0.00 H new ATOM 0 HA PHE A 116 -16.386 -1.928 14.171 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.989 -4.200 14.446 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.451 -4.426 12.793 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -14.383 -2.684 15.961 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.172 -4.728 12.368 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -12.011 -2.547 16.682 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -10.800 -4.619 13.107 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.219 -3.533 15.267 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.330 -1.627 11.578 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.305 -0.671 11.077 1.00 0.00 C ATOM 1799 C VAL A 117 -13.890 0.670 10.628 1.00 0.00 C ATOM 1800 O VAL A 117 -13.210 1.695 10.734 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.375 -1.222 9.979 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.450 -2.283 10.575 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.112 -1.738 8.734 1.00 0.00 C ATOM 0 H VAL A 117 -14.483 -2.445 10.988 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.688 -0.508 11.961 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.779 -0.385 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.793 -2.672 9.797 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.849 -1.838 11.368 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.047 -3.097 10.986 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.387 -2.108 8.009 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.786 -2.546 9.019 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.687 -0.926 8.289 1.00 0.00 H new ATOM 1813 N THR A 118 -15.163 0.696 10.204 1.00 0.00 N ATOM 1814 CA THR A 118 -15.873 1.958 9.969 1.00 0.00 C ATOM 1815 C THR A 118 -15.939 2.691 11.284 1.00 0.00 C ATOM 1816 O THR A 118 -15.431 3.788 11.305 1.00 0.00 O ATOM 1817 CB THR A 118 -17.273 1.799 9.359 1.00 0.00 C ATOM 1818 OG1 THR A 118 -17.211 0.951 8.235 1.00 0.00 O ATOM 1819 CG2 THR A 118 -17.829 3.145 8.893 1.00 0.00 C ATOM 0 H THR A 118 -15.718 -0.140 10.018 1.00 0.00 H new ATOM 0 HA THR A 118 -15.317 2.521 9.220 1.00 0.00 H new ATOM 0 HB THR A 118 -17.921 1.381 10.130 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.057 0.029 8.529 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.821 3.000 8.466 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.895 3.825 9.742 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.167 3.570 8.138 1.00 0.00 H new ATOM 1827 N GLN A 119 -16.404 2.122 12.397 1.00 0.00 N ATOM 1828 CA GLN A 119 -16.412 2.834 13.691 1.00 0.00 C ATOM 1829 C GLN A 119 -15.031 3.344 14.160 1.00 0.00 C ATOM 1830 O GLN A 119 -14.978 4.354 14.864 1.00 0.00 O ATOM 1831 CB GLN A 119 -17.088 1.964 14.756 1.00 0.00 C ATOM 1832 CG GLN A 119 -18.617 2.063 14.619 1.00 0.00 C ATOM 1833 CD GLN A 119 -19.337 0.920 15.326 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -19.983 1.076 16.356 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -19.259 -0.266 14.771 1.00 0.00 N ATOM 0 H GLN A 119 -16.780 1.175 12.436 1.00 0.00 H new ATOM 0 HA GLN A 119 -16.991 3.744 13.536 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -16.771 0.927 14.646 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.781 2.288 15.751 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.956 3.013 15.032 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.886 2.060 13.563 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -18.721 -0.394 13.914 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -19.736 -1.061 15.197 1.00 0.00 H new ATOM 1844 N LEU A 120 -13.916 2.732 13.731 1.00 0.00 N ATOM 1845 CA LEU A 120 -12.572 3.302 13.959 1.00 0.00 C ATOM 1846 C LEU A 120 -12.324 4.594 13.151 1.00 0.00 C ATOM 1847 O LEU A 120 -11.623 5.489 13.624 1.00 0.00 O ATOM 1848 CB LEU A 120 -11.484 2.248 13.669 1.00 0.00 C ATOM 1849 CG LEU A 120 -11.593 0.937 14.481 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -10.401 0.034 14.139 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -11.616 1.201 15.992 1.00 0.00 C ATOM 0 H LEU A 120 -13.915 1.846 13.226 1.00 0.00 H new ATOM 0 HA LEU A 120 -12.519 3.584 15.011 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -11.516 2.001 12.608 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -10.509 2.695 13.863 1.00 0.00 H new ATOM 0 HG LEU A 120 -12.531 0.451 14.214 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -10.471 -0.893 14.708 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -10.411 -0.193 13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -9.472 0.546 14.392 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.693 0.254 16.526 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.698 1.710 16.287 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -12.473 1.828 16.239 1.00 0.00 H new ATOM 1863 N ARG A 121 -12.898 4.706 11.945 1.00 0.00 N ATOM 1864 CA ARG A 121 -12.739 5.838 11.002 1.00 0.00 C ATOM 1865 C ARG A 121 -13.946 6.794 10.877 1.00 0.00 C ATOM 1866 O ARG A 121 -13.789 7.917 10.405 1.00 0.00 O ATOM 1867 CB ARG A 121 -12.452 5.198 9.622 1.00 0.00 C ATOM 1868 CG ARG A 121 -11.688 6.079 8.617 1.00 0.00 C ATOM 1869 CD ARG A 121 -10.225 6.319 8.971 1.00 0.00 C ATOM 1870 NE ARG A 121 -9.419 5.081 8.990 1.00 0.00 N ATOM 1871 CZ ARG A 121 -8.097 5.021 8.844 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -7.393 6.004 8.323 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -7.441 3.961 9.261 1.00 0.00 N ATOM 0 H ARG A 121 -13.515 3.981 11.577 1.00 0.00 H new ATOM 0 HA ARG A 121 -11.940 6.473 11.384 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -11.882 4.282 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -13.402 4.909 9.173 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -11.739 5.613 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -12.193 7.042 8.540 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -9.793 7.015 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -10.168 6.797 9.949 1.00 0.00 H new ATOM 0 HE ARG A 121 -9.916 4.201 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.859 6.856 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -6.381 5.914 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -7.945 3.188 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -6.428 3.912 9.151 1.00 0.00 H new ATOM 1887 N TYR A 122 -15.109 6.400 11.390 1.00 0.00 N ATOM 1888 CA TYR A 122 -16.442 7.000 11.215 1.00 0.00 C ATOM 1889 C TYR A 122 -16.505 8.471 11.664 1.00 0.00 C ATOM 1890 O TYR A 122 -17.367 9.237 11.227 1.00 0.00 O ATOM 1891 CB TYR A 122 -17.442 6.150 12.029 1.00 0.00 C ATOM 1892 CG TYR A 122 -18.926 6.471 11.963 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -19.517 7.029 10.807 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -19.747 6.109 13.052 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -20.902 7.277 10.764 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -21.133 6.349 13.014 1.00 0.00 C ATOM 1897 CZ TYR A 122 -21.715 6.942 11.871 1.00 0.00 C ATOM 1898 OH TYR A 122 -23.055 7.179 11.822 1.00 0.00 O ATOM 0 H TYR A 122 -15.153 5.579 11.994 1.00 0.00 H new ATOM 0 HA TYR A 122 -16.688 7.003 10.153 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -17.318 5.113 11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -17.142 6.206 13.075 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -18.902 7.267 9.951 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -19.308 5.644 13.922 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -21.344 7.723 9.885 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -21.751 6.080 13.858 1.00 0.00 H new ATOM 0 HH TYR A 122 -23.469 6.891 12.662 1.00 0.00 H new ATOM 1908 N GLY A 123 -15.567 8.869 12.535 1.00 0.00 N ATOM 1909 CA GLY A 123 -15.592 10.163 13.237 1.00 0.00 C ATOM 1910 C GLY A 123 -15.295 11.389 12.367 1.00 0.00 C ATOM 1911 O GLY A 123 -15.539 12.508 12.815 1.00 0.00 O ATOM 0 H GLY A 123 -14.759 8.295 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -16.574 10.291 13.692 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -14.866 10.131 14.049 1.00 0.00 H new ATOM 1915 N LYS A 124 -14.805 11.199 11.132 1.00 0.00 N ATOM 1916 CA LYS A 124 -14.670 12.288 10.139 1.00 0.00 C ATOM 1917 C LYS A 124 -15.167 11.918 8.718 1.00 0.00 C ATOM 1918 O LYS A 124 -15.038 12.723 7.790 1.00 0.00 O ATOM 1919 CB LYS A 124 -13.208 12.793 10.164 1.00 0.00 C ATOM 1920 CG LYS A 124 -13.104 14.290 9.815 1.00 0.00 C ATOM 1921 CD LYS A 124 -11.648 14.778 9.832 1.00 0.00 C ATOM 1922 CE LYS A 124 -11.543 16.311 9.748 1.00 0.00 C ATOM 1923 NZ LYS A 124 -12.019 16.868 8.450 1.00 0.00 N ATOM 0 H LYS A 124 -14.491 10.291 10.790 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.338 13.100 10.427 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -12.783 12.622 11.153 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -12.613 12.215 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -13.535 14.464 8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -13.691 14.871 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -11.162 14.433 10.745 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -11.109 14.333 8.996 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -12.123 16.752 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.505 16.605 9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.921 17.903 8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.450 16.474 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -13.018 16.616 8.310 1.00 0.00 H new ATOM 1937 N SER A 125 -15.713 10.708 8.534 1.00 0.00 N ATOM 1938 CA SER A 125 -16.282 10.213 7.262 1.00 0.00 C ATOM 1939 C SER A 125 -17.501 11.024 6.797 1.00 0.00 C ATOM 1940 O SER A 125 -18.408 11.292 7.622 1.00 0.00 O ATOM 1941 CB SER A 125 -16.676 8.741 7.384 1.00 0.00 C ATOM 1942 OG SER A 125 -15.532 7.976 7.721 1.00 0.00 O ATOM 1943 OXT SER A 125 -17.551 11.391 5.599 1.00 0.00 O ATOM 0 H SER A 125 -15.775 10.022 9.286 1.00 0.00 H new ATOM 0 HA SER A 125 -15.499 10.331 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 125 -17.446 8.621 8.147 1.00 0.00 H new ATOM 0 HB3 SER A 125 -17.100 8.387 6.444 1.00 0.00 H new ATOM 0 HG SER A 125 -14.803 8.188 7.101 1.00 0.00 H new TER 1949 SER A 125