USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 668 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 46 SER OG : rot 110:sc= -0.867 USER MOD Set 1.2: A 48 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 GLN : amide:sc= 0.967 K(o=1.4,f=-20!) USER MOD Set 2.2: A 28 LYS NZ :NH3+ -168:sc= 0.473 (180deg=-0.986) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.929 K(o=-1.1,f=-3.1) USER MOD Set 3.2: A 6 TYR OH : rot 41:sc= 0.288 USER MOD Set 3.3: A 78 SER OG : rot 89:sc= -0.504! USER MOD Set 4.1: A 3 GLN : amide:sc= -10.5! C(o=-9.6!,f=-15!) USER MOD Set 4.2: A 64 TYR OH : rot 65:sc= 0.878 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00389 USER MOD Single : A 12 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 15 HIS : no HD1:sc= -9.7! C(o=-9.7!,f=-9.6!) USER MOD Single : A 20 THR OG1 : rot 101:sc= 0.483 USER MOD Single : A 21 MET CE :methyl 153:sc= -0.0966 (180deg=-0.633) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0737 USER MOD Single : A 31 SER OG : rot 96:sc= -3.54! USER MOD Single : A 34 GLN :FLIP amide:sc= -1.14 F(o=-1.8,f=-1.1) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.26 USER MOD Single : A 38 ASN :FLIP amide:sc= -10.6! C(o=-11!,f=-11!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.0187 (180deg=-0.204) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.783 F(o=-2.7!,f=-0.78) USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 0.439 (180deg=-0.157) USER MOD Single : A 51 MET CE :methyl 147:sc= -0.923! (180deg=-3.1!) USER MOD Single : A 52 SER OG : rot -35:sc= 0.874 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -1.05 (180deg=-2.44!) USER MOD Single : A 62 THR OG1 : rot 180:sc= -1.85 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 47:sc= -1.39! USER MOD Single : A 75 GLN :FLIP amide:sc= -0.863 F(o=-3.3!,f=-0.86) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -7.010 -0.914 11.529 1.00 0.00 N ATOM 19 CA GLU A 2 -5.956 -1.910 11.451 1.00 0.00 C ATOM 20 C GLU A 2 -5.044 -1.626 10.255 1.00 0.00 C ATOM 21 O GLU A 2 -5.522 -1.432 9.138 1.00 0.00 O ATOM 22 CB GLU A 2 -6.540 -3.322 11.371 1.00 0.00 C ATOM 23 CG GLU A 2 -6.088 -4.031 10.094 1.00 0.00 C ATOM 24 CD GLU A 2 -6.248 -5.548 10.222 1.00 0.00 C ATOM 25 OE1 GLU A 2 -5.877 -6.290 9.300 1.00 0.00 O ATOM 26 OE2 GLU A 2 -6.776 -5.949 11.329 1.00 0.00 O ATOM 0 HA GLU A 2 -5.359 -1.850 12.361 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.227 -3.899 12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.629 -3.271 11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.672 -3.670 9.247 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.046 -3.788 9.888 1.00 0.00 H new ATOM 34 N GLN A 3 -3.748 -1.609 10.529 1.00 0.00 N ATOM 35 CA GLN A 3 -2.765 -1.353 9.491 1.00 0.00 C ATOM 36 C GLN A 3 -1.880 -2.582 9.282 1.00 0.00 C ATOM 37 O GLN A 3 -2.075 -3.609 9.930 1.00 0.00 O ATOM 38 CB GLN A 3 -1.924 -0.120 9.825 1.00 0.00 C ATOM 39 CG GLN A 3 -0.959 -0.411 10.977 1.00 0.00 C ATOM 40 CD GLN A 3 0.353 0.354 10.801 1.00 0.00 C ATOM 41 OE1 GLN A 3 0.457 1.287 10.022 1.00 0.00 O ATOM 42 NE2 GLN A 3 1.346 -0.090 11.566 1.00 0.00 N ATOM 0 H GLN A 3 -3.356 -1.769 11.457 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.293 -1.150 8.560 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.362 0.191 8.944 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.578 0.709 10.094 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.422 -0.132 11.923 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.756 -1.481 11.025 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.191 -0.876 12.197 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.262 0.356 11.522 1.00 0.00 H new ATOM 51 N ASN A 4 -0.926 -2.437 8.374 1.00 0.00 N ATOM 52 CA ASN A 4 -0.009 -3.523 8.072 1.00 0.00 C ATOM 53 C ASN A 4 1.284 -2.947 7.491 1.00 0.00 C ATOM 54 O ASN A 4 1.248 -2.161 6.545 1.00 0.00 O ATOM 55 CB ASN A 4 -0.608 -4.478 7.037 1.00 0.00 C ATOM 56 CG ASN A 4 -0.942 -5.831 7.668 1.00 0.00 C ATOM 57 OD1 ASN A 4 -0.771 -6.882 7.072 1.00 0.00 O ATOM 58 ND2 ASN A 4 -1.428 -5.747 8.903 1.00 0.00 N ATOM 0 H ASN A 4 -0.768 -1.584 7.838 1.00 0.00 H new ATOM 0 HA ASN A 4 0.184 -4.068 8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.510 -4.039 6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 4 0.096 -4.619 6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.683 -6.595 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -1.546 -4.835 9.344 1.00 0.00 H new ATOM 65 N SER A 5 2.396 -3.361 8.081 1.00 0.00 N ATOM 66 CA SER A 5 3.698 -2.896 7.633 1.00 0.00 C ATOM 67 C SER A 5 4.352 -3.951 6.739 1.00 0.00 C ATOM 68 O SER A 5 4.027 -5.134 6.830 1.00 0.00 O ATOM 69 CB SER A 5 4.605 -2.571 8.822 1.00 0.00 C ATOM 70 OG SER A 5 3.929 -2.726 10.067 1.00 0.00 O ATOM 0 H SER A 5 2.422 -4.013 8.865 1.00 0.00 H new ATOM 0 HA SER A 5 3.555 -1.981 7.058 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.479 -3.222 8.800 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.968 -1.547 8.732 1.00 0.00 H new ATOM 0 HG SER A 5 4.542 -2.511 10.801 1.00 0.00 H new ATOM 76 N TYR A 6 5.261 -3.484 5.896 1.00 0.00 N ATOM 77 CA TYR A 6 5.964 -4.374 4.987 1.00 0.00 C ATOM 78 C TYR A 6 7.318 -3.787 4.583 1.00 0.00 C ATOM 79 O TYR A 6 7.684 -2.699 5.026 1.00 0.00 O ATOM 80 CB TYR A 6 5.081 -4.489 3.743 1.00 0.00 C ATOM 81 CG TYR A 6 3.673 -5.018 4.026 1.00 0.00 C ATOM 82 CD1 TYR A 6 3.508 -6.248 4.631 1.00 0.00 C ATOM 83 CD2 TYR A 6 2.570 -4.267 3.677 1.00 0.00 C ATOM 84 CE1 TYR A 6 2.183 -6.746 4.898 1.00 0.00 C ATOM 85 CE2 TYR A 6 1.246 -4.765 3.944 1.00 0.00 C ATOM 86 CZ TYR A 6 1.117 -5.980 4.541 1.00 0.00 C ATOM 87 OH TYR A 6 -0.133 -6.451 4.792 1.00 0.00 O ATOM 0 H TYR A 6 5.527 -2.502 5.823 1.00 0.00 H new ATOM 0 HA TYR A 6 6.148 -5.338 5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.002 -3.508 3.274 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.568 -5.148 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.372 -6.836 4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.700 -3.305 3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.039 -7.706 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.374 -4.186 3.676 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.152 -6.874 5.676 1.00 0.00 H new ATOM 97 N VAL A 7 8.025 -4.532 3.746 1.00 0.00 N ATOM 98 CA VAL A 7 9.331 -4.100 3.278 1.00 0.00 C ATOM 99 C VAL A 7 9.393 -4.239 1.756 1.00 0.00 C ATOM 100 O VAL A 7 8.931 -5.234 1.201 1.00 0.00 O ATOM 101 CB VAL A 7 10.431 -4.884 3.996 1.00 0.00 C ATOM 102 CG1 VAL A 7 9.837 -6.015 4.839 1.00 0.00 C ATOM 103 CG2 VAL A 7 11.459 -5.424 3.000 1.00 0.00 C ATOM 0 H VAL A 7 7.718 -5.433 3.380 1.00 0.00 H new ATOM 0 HA VAL A 7 9.493 -3.049 3.516 1.00 0.00 H new ATOM 0 HB VAL A 7 10.946 -4.199 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.640 -6.557 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.162 -5.596 5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.285 -6.699 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.230 -5.977 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.964 -6.087 2.290 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.916 -4.593 2.463 1.00 0.00 H new ATOM 113 N ILE A 8 9.970 -3.227 1.125 1.00 0.00 N ATOM 114 CA ILE A 8 10.101 -3.225 -0.323 1.00 0.00 C ATOM 115 C ILE A 8 11.319 -4.059 -0.723 1.00 0.00 C ATOM 116 O ILE A 8 12.416 -3.847 -0.209 1.00 0.00 O ATOM 117 CB ILE A 8 10.135 -1.791 -0.855 1.00 0.00 C ATOM 118 CG1 ILE A 8 8.859 -1.035 -0.478 1.00 0.00 C ATOM 119 CG2 ILE A 8 10.387 -1.772 -2.364 1.00 0.00 C ATOM 120 CD1 ILE A 8 7.614 -1.840 -0.852 1.00 0.00 C ATOM 0 H ILE A 8 10.352 -2.403 1.589 1.00 0.00 H new ATOM 0 HA ILE A 8 9.231 -3.692 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 8 10.968 -1.272 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.856 -0.831 0.593 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.839 -0.071 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 8 10.406 -0.741 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.344 -2.247 -2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 8 9.590 -2.315 -2.873 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.721 -1.280 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.608 -2.022 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.624 -2.793 -0.323 1.00 0.00 H new ATOM 132 N ILE A 9 11.086 -4.990 -1.636 1.00 0.00 N ATOM 133 CA ILE A 9 12.151 -5.857 -2.110 1.00 0.00 C ATOM 134 C ILE A 9 12.273 -5.722 -3.629 1.00 0.00 C ATOM 135 O ILE A 9 13.122 -6.364 -4.247 1.00 0.00 O ATOM 136 CB ILE A 9 11.924 -7.293 -1.637 1.00 0.00 C ATOM 137 CG1 ILE A 9 10.722 -7.921 -2.346 1.00 0.00 C ATOM 138 CG2 ILE A 9 11.786 -7.353 -0.114 1.00 0.00 C ATOM 139 CD1 ILE A 9 10.796 -9.449 -2.301 1.00 0.00 C ATOM 0 H ILE A 9 10.175 -5.163 -2.060 1.00 0.00 H new ATOM 0 HA ILE A 9 13.107 -5.554 -1.684 1.00 0.00 H new ATOM 0 HB ILE A 9 12.800 -7.883 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.799 -7.584 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.690 -7.585 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.625 -8.385 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.696 -6.972 0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.938 -6.744 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.930 -9.870 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 9 11.708 -9.784 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.803 -9.783 -1.263 1.00 0.00 H new ATOM 151 N ASP A 10 11.412 -4.885 -4.189 1.00 0.00 N ATOM 152 CA ASP A 10 11.413 -4.659 -5.624 1.00 0.00 C ATOM 153 C ASP A 10 12.267 -3.430 -5.942 1.00 0.00 C ATOM 154 O ASP A 10 12.030 -2.349 -5.406 1.00 0.00 O ATOM 155 CB ASP A 10 9.997 -4.396 -6.142 1.00 0.00 C ATOM 156 CG ASP A 10 9.892 -4.165 -7.650 1.00 0.00 C ATOM 157 OD1 ASP A 10 8.794 -3.964 -8.190 1.00 0.00 O ATOM 158 OD2 ASP A 10 11.014 -4.197 -8.286 1.00 0.00 O ATOM 0 H ASP A 10 10.709 -4.355 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 10 11.813 -5.551 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.366 -5.243 -5.875 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.594 -3.524 -5.627 1.00 0.00 H new ATOM 164 N GLU A 11 13.245 -3.638 -6.812 1.00 0.00 N ATOM 165 CA GLU A 11 14.136 -2.561 -7.207 1.00 0.00 C ATOM 166 C GLU A 11 13.381 -1.526 -8.043 1.00 0.00 C ATOM 167 O GLU A 11 13.920 -0.468 -8.366 1.00 0.00 O ATOM 168 CB GLU A 11 15.347 -3.103 -7.970 1.00 0.00 C ATOM 169 CG GLU A 11 14.989 -3.395 -9.429 1.00 0.00 C ATOM 170 CD GLU A 11 14.016 -4.571 -9.530 1.00 0.00 C ATOM 171 OE1 GLU A 11 12.838 -4.374 -9.867 1.00 0.00 O ATOM 172 OE2 GLU A 11 14.520 -5.723 -9.246 1.00 0.00 O ATOM 0 H GLU A 11 13.439 -4.536 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 11 14.504 -2.072 -6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.161 -2.379 -7.929 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.706 -4.014 -7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.543 -2.510 -9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.895 -3.619 -9.992 1.00 0.00 H new ATOM 180 N THR A 12 12.142 -1.866 -8.369 1.00 0.00 N ATOM 181 CA THR A 12 11.306 -0.979 -9.160 1.00 0.00 C ATOM 182 C THR A 12 10.539 -0.018 -8.252 1.00 0.00 C ATOM 183 O THR A 12 9.997 0.984 -8.717 1.00 0.00 O ATOM 184 CB THR A 12 10.397 -1.843 -10.037 1.00 0.00 C ATOM 185 OG1 THR A 12 11.302 -2.645 -10.791 1.00 0.00 O ATOM 186 CG2 THR A 12 9.653 -1.025 -11.095 1.00 0.00 C ATOM 0 H THR A 12 11.697 -2.744 -8.100 1.00 0.00 H new ATOM 0 HA THR A 12 11.908 -0.347 -9.814 1.00 0.00 H new ATOM 0 HB THR A 12 9.675 -2.364 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.523 -3.454 -10.284 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.023 -1.686 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 12 9.032 -0.275 -10.605 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.374 -0.530 -11.745 1.00 0.00 H new ATOM 194 N GLY A 13 10.517 -0.355 -6.971 1.00 0.00 N ATOM 195 CA GLY A 13 9.824 0.466 -5.992 1.00 0.00 C ATOM 196 C GLY A 13 8.358 0.666 -6.383 1.00 0.00 C ATOM 197 O GLY A 13 8.064 1.218 -7.442 1.00 0.00 O ATOM 0 H GLY A 13 10.968 -1.186 -6.588 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.881 -0.005 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.317 1.434 -5.910 1.00 0.00 H new ATOM 201 N ILE A 14 7.477 0.207 -5.507 1.00 0.00 N ATOM 202 CA ILE A 14 6.049 0.328 -5.746 1.00 0.00 C ATOM 203 C ILE A 14 5.802 1.433 -6.774 1.00 0.00 C ATOM 204 O ILE A 14 6.004 2.612 -6.485 1.00 0.00 O ATOM 205 CB ILE A 14 5.300 0.535 -4.428 1.00 0.00 C ATOM 206 CG1 ILE A 14 4.431 -0.680 -4.096 1.00 0.00 C ATOM 207 CG2 ILE A 14 4.487 1.830 -4.457 1.00 0.00 C ATOM 208 CD1 ILE A 14 3.027 -0.527 -4.684 1.00 0.00 C ATOM 0 H ILE A 14 7.725 -0.250 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 14 5.653 -0.596 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 14 6.035 0.634 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.897 -1.583 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.365 -0.800 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.965 1.953 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.156 2.676 -4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.760 1.785 -5.268 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.430 -1.404 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.554 0.364 -4.270 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.095 -0.432 -5.768 1.00 0.00 H new ATOM 220 N HIS A 15 5.369 1.014 -7.954 1.00 0.00 N ATOM 221 CA HIS A 15 5.091 1.954 -9.027 1.00 0.00 C ATOM 222 C HIS A 15 3.581 2.039 -9.258 1.00 0.00 C ATOM 223 O HIS A 15 2.797 1.551 -8.446 1.00 0.00 O ATOM 224 CB HIS A 15 5.864 1.578 -10.292 1.00 0.00 C ATOM 225 CG HIS A 15 6.171 0.104 -10.409 1.00 0.00 C ATOM 226 ND1 HIS A 15 5.703 -0.678 -11.450 1.00 0.00 N ATOM 227 CD2 HIS A 15 6.904 -0.720 -9.607 1.00 0.00 C ATOM 228 CE1 HIS A 15 6.139 -1.917 -11.271 1.00 0.00 C ATOM 229 NE2 HIS A 15 6.883 -1.941 -10.128 1.00 0.00 N ATOM 0 H HIS A 15 5.204 0.036 -8.191 1.00 0.00 H new ATOM 0 HA HIS A 15 5.436 2.948 -8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.288 1.889 -11.163 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.800 2.136 -10.313 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.415 -0.429 -8.701 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.940 -2.759 -11.917 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.347 -2.762 -9.738 1.00 0.00 H new ATOM 237 N ALA A 16 3.218 2.662 -10.369 1.00 0.00 N ATOM 238 CA ALA A 16 1.816 2.816 -10.717 1.00 0.00 C ATOM 239 C ALA A 16 1.218 1.443 -11.030 1.00 0.00 C ATOM 240 O ALA A 16 0.016 1.235 -10.872 1.00 0.00 O ATOM 241 CB ALA A 16 1.686 3.789 -11.891 1.00 0.00 C ATOM 0 H ALA A 16 3.871 3.066 -11.040 1.00 0.00 H new ATOM 0 HA ALA A 16 1.257 3.236 -9.881 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.634 3.905 -12.153 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.099 4.757 -11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.232 3.398 -12.749 1.00 0.00 H new ATOM 247 N ARG A 17 2.085 0.541 -11.465 1.00 0.00 N ATOM 248 CA ARG A 17 1.658 -0.807 -11.800 1.00 0.00 C ATOM 249 C ARG A 17 0.990 -1.467 -10.592 1.00 0.00 C ATOM 250 O ARG A 17 -0.204 -1.764 -10.623 1.00 0.00 O ATOM 251 CB ARG A 17 2.841 -1.664 -12.252 1.00 0.00 C ATOM 252 CG ARG A 17 2.742 -1.994 -13.742 1.00 0.00 C ATOM 253 CD ARG A 17 3.626 -3.191 -14.099 1.00 0.00 C ATOM 254 NE ARG A 17 4.814 -2.736 -14.854 1.00 0.00 N ATOM 255 CZ ARG A 17 6.004 -3.352 -14.826 1.00 0.00 C ATOM 256 NH1 ARG A 17 6.171 -4.453 -14.080 1.00 0.00 N ATOM 257 NH2 ARG A 17 7.027 -2.868 -15.544 1.00 0.00 N ATOM 0 H ARG A 17 3.081 0.717 -11.593 1.00 0.00 H new ATOM 0 HA ARG A 17 0.944 -0.734 -12.620 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.774 -1.136 -12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.868 -2.587 -11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.706 -2.212 -14.002 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.042 -1.127 -14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.938 -3.707 -13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.059 -3.907 -14.694 1.00 0.00 H new ATOM 0 HE ARG A 17 4.722 -1.901 -15.432 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.393 -4.822 -13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.077 -4.922 -14.059 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.900 -2.030 -16.112 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.932 -3.337 -15.522 1.00 0.00 H new ATOM 271 N PRO A 18 1.811 -1.685 -9.529 1.00 0.00 N ATOM 272 CA PRO A 18 1.312 -2.305 -8.313 1.00 0.00 C ATOM 273 C PRO A 18 0.466 -1.320 -7.504 1.00 0.00 C ATOM 274 O PRO A 18 -0.649 -1.644 -7.096 1.00 0.00 O ATOM 275 CB PRO A 18 2.554 -2.771 -7.572 1.00 0.00 C ATOM 276 CG PRO A 18 3.714 -1.987 -8.167 1.00 0.00 C ATOM 277 CD PRO A 18 3.229 -1.346 -9.458 1.00 0.00 C ATOM 0 HA PRO A 18 0.645 -3.144 -8.510 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.464 -2.583 -6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.703 -3.844 -7.696 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.058 -1.225 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.560 -2.646 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.378 -0.266 -9.445 1.00 0.00 H new ATOM 0 HD3 PRO A 18 3.772 -1.732 -10.320 1.00 0.00 H new ATOM 285 N ALA A 19 1.028 -0.139 -7.293 1.00 0.00 N ATOM 286 CA ALA A 19 0.340 0.894 -6.539 1.00 0.00 C ATOM 287 C ALA A 19 -1.134 0.925 -6.952 1.00 0.00 C ATOM 288 O ALA A 19 -1.997 1.285 -6.154 1.00 0.00 O ATOM 289 CB ALA A 19 1.035 2.239 -6.762 1.00 0.00 C ATOM 0 H ALA A 19 1.953 0.125 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 19 0.380 0.679 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.518 3.014 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.070 2.174 -6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.013 2.489 -7.823 1.00 0.00 H new ATOM 295 N THR A 20 -1.374 0.541 -8.197 1.00 0.00 N ATOM 296 CA THR A 20 -2.727 0.520 -8.725 1.00 0.00 C ATOM 297 C THR A 20 -3.529 -0.620 -8.093 1.00 0.00 C ATOM 298 O THR A 20 -4.572 -0.387 -7.485 1.00 0.00 O ATOM 299 CB THR A 20 -2.639 0.427 -10.250 1.00 0.00 C ATOM 300 OG1 THR A 20 -2.707 1.783 -10.685 1.00 0.00 O ATOM 301 CG2 THR A 20 -3.876 -0.226 -10.870 1.00 0.00 C ATOM 0 H THR A 20 -0.654 0.242 -8.855 1.00 0.00 H new ATOM 0 HA THR A 20 -3.264 1.434 -8.471 1.00 0.00 H new ATOM 0 HB THR A 20 -1.751 -0.141 -10.528 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.807 2.100 -10.908 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.762 -0.267 -11.953 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.989 -1.237 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.760 0.360 -10.621 1.00 0.00 H new ATOM 309 N MET A 21 -3.011 -1.828 -8.259 1.00 0.00 N ATOM 310 CA MET A 21 -3.665 -3.004 -7.711 1.00 0.00 C ATOM 311 C MET A 21 -3.874 -2.863 -6.202 1.00 0.00 C ATOM 312 O MET A 21 -4.957 -3.148 -5.693 1.00 0.00 O ATOM 313 CB MET A 21 -2.812 -4.242 -7.996 1.00 0.00 C ATOM 314 CG MET A 21 -2.683 -4.486 -9.500 1.00 0.00 C ATOM 315 SD MET A 21 -2.212 -6.180 -9.806 1.00 0.00 S ATOM 316 CE MET A 21 -3.752 -7.002 -9.435 1.00 0.00 C ATOM 0 H MET A 21 -2.146 -2.018 -8.765 1.00 0.00 H new ATOM 0 HA MET A 21 -4.641 -3.108 -8.185 1.00 0.00 H new ATOM 0 HB2 MET A 21 -1.822 -4.114 -7.559 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.260 -5.114 -7.520 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.630 -4.268 -9.994 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.939 -3.811 -9.924 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.812 -7.933 -9.998 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.801 -7.219 -8.368 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.585 -6.356 -9.712 1.00 0.00 H new ATOM 326 N LEU A 22 -2.820 -2.424 -5.529 1.00 0.00 N ATOM 327 CA LEU A 22 -2.875 -2.242 -4.089 1.00 0.00 C ATOM 328 C LEU A 22 -3.952 -1.208 -3.750 1.00 0.00 C ATOM 329 O LEU A 22 -4.811 -1.457 -2.906 1.00 0.00 O ATOM 330 CB LEU A 22 -1.490 -1.889 -3.541 1.00 0.00 C ATOM 331 CG LEU A 22 -0.939 -2.824 -2.463 1.00 0.00 C ATOM 332 CD1 LEU A 22 -0.102 -3.944 -3.084 1.00 0.00 C ATOM 333 CD2 LEU A 22 -0.155 -2.042 -1.407 1.00 0.00 C ATOM 0 H LEU A 22 -1.923 -2.189 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.160 -3.172 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.786 -1.870 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.529 -0.879 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.782 -3.294 -1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.278 -4.594 -2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.721 -4.525 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.735 -3.512 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.226 -2.730 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.680 -1.526 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.811 -1.312 -0.934 1.00 0.00 H new ATOM 345 N VAL A 23 -3.870 -0.073 -4.426 1.00 0.00 N ATOM 346 CA VAL A 23 -4.827 1.000 -4.208 1.00 0.00 C ATOM 347 C VAL A 23 -6.228 0.509 -4.577 1.00 0.00 C ATOM 348 O VAL A 23 -7.195 0.792 -3.871 1.00 0.00 O ATOM 349 CB VAL A 23 -4.404 2.246 -4.989 1.00 0.00 C ATOM 350 CG1 VAL A 23 -5.613 3.124 -5.315 1.00 0.00 C ATOM 351 CG2 VAL A 23 -3.341 3.037 -4.225 1.00 0.00 C ATOM 0 H VAL A 23 -3.156 0.128 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.849 1.285 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.964 1.919 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.285 4.003 -5.870 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.322 2.557 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.094 3.439 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.058 3.917 -4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.742 3.349 -3.261 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.464 2.409 -4.067 1.00 0.00 H new ATOM 361 N GLN A 24 -6.294 -0.217 -5.683 1.00 0.00 N ATOM 362 CA GLN A 24 -7.561 -0.749 -6.154 1.00 0.00 C ATOM 363 C GLN A 24 -8.152 -1.709 -5.119 1.00 0.00 C ATOM 364 O GLN A 24 -9.209 -1.440 -4.551 1.00 0.00 O ATOM 365 CB GLN A 24 -7.396 -1.439 -7.510 1.00 0.00 C ATOM 366 CG GLN A 24 -8.656 -1.283 -8.362 1.00 0.00 C ATOM 367 CD GLN A 24 -8.859 -2.496 -9.272 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.721 -3.332 -9.052 1.00 0.00 O ATOM 369 NE2 GLN A 24 -8.019 -2.547 -10.301 1.00 0.00 N ATOM 0 H GLN A 24 -5.490 -0.449 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.254 0.082 -6.288 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.542 -1.014 -8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.183 -2.497 -7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.524 -1.161 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.580 -0.379 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.321 -1.814 -10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.073 -3.319 -10.965 1.00 0.00 H new ATOM 378 N THR A 25 -7.443 -2.807 -4.906 1.00 0.00 N ATOM 379 CA THR A 25 -7.884 -3.808 -3.948 1.00 0.00 C ATOM 380 C THR A 25 -8.112 -3.171 -2.577 1.00 0.00 C ATOM 381 O THR A 25 -8.852 -3.708 -1.754 1.00 0.00 O ATOM 382 CB THR A 25 -6.848 -4.934 -3.931 1.00 0.00 C ATOM 383 OG1 THR A 25 -7.466 -5.987 -4.664 1.00 0.00 O ATOM 384 CG2 THR A 25 -6.646 -5.522 -2.532 1.00 0.00 C ATOM 0 H THR A 25 -6.567 -3.026 -5.380 1.00 0.00 H new ATOM 0 HA THR A 25 -8.845 -4.235 -4.236 1.00 0.00 H new ATOM 0 HB THR A 25 -5.897 -4.557 -4.308 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.861 -6.757 -4.703 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.901 -6.317 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.303 -4.740 -1.855 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.590 -5.929 -2.168 1.00 0.00 H new ATOM 392 N ALA A 26 -7.463 -2.034 -2.373 1.00 0.00 N ATOM 393 CA ALA A 26 -7.586 -1.317 -1.115 1.00 0.00 C ATOM 394 C ALA A 26 -8.998 -0.739 -0.998 1.00 0.00 C ATOM 395 O ALA A 26 -9.758 -1.121 -0.110 1.00 0.00 O ATOM 396 CB ALA A 26 -6.505 -0.237 -1.034 1.00 0.00 C ATOM 0 H ALA A 26 -6.850 -1.591 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.435 -1.992 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.598 0.301 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.521 -0.702 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.625 0.461 -1.862 1.00 0.00 H new ATOM 402 N SER A 27 -9.306 0.173 -1.908 1.00 0.00 N ATOM 403 CA SER A 27 -10.613 0.809 -1.918 1.00 0.00 C ATOM 404 C SER A 27 -11.670 -0.178 -2.419 1.00 0.00 C ATOM 405 O SER A 27 -12.761 -0.261 -1.859 1.00 0.00 O ATOM 406 CB SER A 27 -10.608 2.067 -2.788 1.00 0.00 C ATOM 407 OG SER A 27 -11.180 1.832 -4.071 1.00 0.00 O ATOM 0 H SER A 27 -8.673 0.487 -2.644 1.00 0.00 H new ATOM 0 HA SER A 27 -10.856 1.107 -0.898 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.162 2.859 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.584 2.421 -2.907 1.00 0.00 H new ATOM 0 HG SER A 27 -11.159 2.660 -4.595 1.00 0.00 H new ATOM 413 N LYS A 28 -11.308 -0.901 -3.469 1.00 0.00 N ATOM 414 CA LYS A 28 -12.212 -1.879 -4.051 1.00 0.00 C ATOM 415 C LYS A 28 -13.086 -2.480 -2.949 1.00 0.00 C ATOM 416 O LYS A 28 -14.259 -2.773 -3.173 1.00 0.00 O ATOM 417 CB LYS A 28 -11.430 -2.921 -4.853 1.00 0.00 C ATOM 418 CG LYS A 28 -10.948 -2.341 -6.185 1.00 0.00 C ATOM 419 CD LYS A 28 -12.058 -2.394 -7.237 1.00 0.00 C ATOM 420 CE LYS A 28 -12.401 -3.839 -7.600 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.184 -4.682 -7.583 1.00 0.00 N ATOM 0 H LYS A 28 -10.402 -0.829 -3.931 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.883 -1.400 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.575 -3.265 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.061 -3.791 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.626 -1.310 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.081 -2.900 -6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.947 -1.890 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.743 -1.856 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.133 -4.233 -6.895 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.860 -3.873 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.392 -5.601 -8.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.426 -4.208 -8.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.878 -4.830 -6.600 1.00 0.00 H new ATOM 435 N PHE A 29 -12.480 -2.645 -1.782 1.00 0.00 N ATOM 436 CA PHE A 29 -13.189 -3.206 -0.644 1.00 0.00 C ATOM 437 C PHE A 29 -14.239 -2.227 -0.115 1.00 0.00 C ATOM 438 O PHE A 29 -15.416 -2.331 -0.455 1.00 0.00 O ATOM 439 CB PHE A 29 -12.149 -3.460 0.450 1.00 0.00 C ATOM 440 CG PHE A 29 -11.369 -4.765 0.276 1.00 0.00 C ATOM 441 CD1 PHE A 29 -10.801 -5.063 -0.923 1.00 0.00 C ATOM 442 CD2 PHE A 29 -11.246 -5.627 1.321 1.00 0.00 C ATOM 443 CE1 PHE A 29 -10.078 -6.275 -1.085 1.00 0.00 C ATOM 444 CE2 PHE A 29 -10.523 -6.839 1.159 1.00 0.00 C ATOM 445 CZ PHE A 29 -9.954 -7.137 -0.039 1.00 0.00 C ATOM 0 H PHE A 29 -11.507 -2.400 -1.600 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.701 -4.122 -0.939 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.445 -2.628 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -12.651 -3.475 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.900 -4.378 -1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -11.698 -5.390 2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.627 -6.512 -2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.425 -7.524 1.988 1.00 0.00 H new ATOM 0 HZ PHE A 29 -9.403 -8.058 -0.161 1.00 0.00 H new ATOM 455 N ASP A 30 -13.774 -1.298 0.708 1.00 0.00 N ATOM 456 CA ASP A 30 -14.658 -0.301 1.287 1.00 0.00 C ATOM 457 C ASP A 30 -13.906 0.473 2.371 1.00 0.00 C ATOM 458 O ASP A 30 -13.753 1.690 2.277 1.00 0.00 O ATOM 459 CB ASP A 30 -15.879 -0.958 1.936 1.00 0.00 C ATOM 460 CG ASP A 30 -16.666 -0.059 2.892 1.00 0.00 C ATOM 461 OD1 ASP A 30 -16.225 0.216 4.018 1.00 0.00 O ATOM 462 OD2 ASP A 30 -17.791 0.372 2.432 1.00 0.00 O ATOM 0 H ASP A 30 -12.797 -1.215 0.987 1.00 0.00 H new ATOM 0 HA ASP A 30 -14.987 0.363 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.550 -1.301 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.550 -1.843 2.481 1.00 0.00 H new ATOM 468 N SER A 31 -13.457 -0.265 3.376 1.00 0.00 N ATOM 469 CA SER A 31 -12.724 0.338 4.477 1.00 0.00 C ATOM 470 C SER A 31 -11.821 1.458 3.954 1.00 0.00 C ATOM 471 O SER A 31 -11.476 1.481 2.774 1.00 0.00 O ATOM 472 CB SER A 31 -11.894 -0.708 5.224 1.00 0.00 C ATOM 473 OG SER A 31 -12.479 -2.005 5.152 1.00 0.00 O ATOM 0 H SER A 31 -13.586 -1.274 3.451 1.00 0.00 H new ATOM 0 HA SER A 31 -13.445 0.759 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.889 -0.740 4.804 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.794 -0.413 6.269 1.00 0.00 H new ATOM 0 HG SER A 31 -12.067 -2.509 4.420 1.00 0.00 H new ATOM 479 N ASP A 32 -11.463 2.357 4.859 1.00 0.00 N ATOM 480 CA ASP A 32 -10.607 3.475 4.505 1.00 0.00 C ATOM 481 C ASP A 32 -9.148 3.100 4.772 1.00 0.00 C ATOM 482 O ASP A 32 -8.610 3.405 5.836 1.00 0.00 O ATOM 483 CB ASP A 32 -10.939 4.711 5.344 1.00 0.00 C ATOM 484 CG ASP A 32 -12.335 5.292 5.115 1.00 0.00 C ATOM 485 OD1 ASP A 32 -12.990 5.001 4.102 1.00 0.00 O ATOM 486 OD2 ASP A 32 -12.755 6.086 6.041 1.00 0.00 O ATOM 0 H ASP A 32 -11.751 2.333 5.837 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.767 3.701 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.837 4.454 6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.201 5.484 5.132 1.00 0.00 H new ATOM 492 N ILE A 33 -8.549 2.444 3.790 1.00 0.00 N ATOM 493 CA ILE A 33 -7.163 2.024 3.906 1.00 0.00 C ATOM 494 C ILE A 33 -6.247 3.199 3.559 1.00 0.00 C ATOM 495 O ILE A 33 -6.576 4.014 2.698 1.00 0.00 O ATOM 496 CB ILE A 33 -6.909 0.775 3.058 1.00 0.00 C ATOM 497 CG1 ILE A 33 -7.869 -0.353 3.442 1.00 0.00 C ATOM 498 CG2 ILE A 33 -5.445 0.339 3.150 1.00 0.00 C ATOM 499 CD1 ILE A 33 -8.637 -0.859 2.220 1.00 0.00 C ATOM 0 H ILE A 33 -8.998 2.193 2.909 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.937 1.736 4.933 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.106 1.024 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.310 -1.174 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.571 0.003 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.291 -0.550 2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.803 1.143 2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.197 0.114 4.187 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.312 -1.660 2.521 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.214 -0.041 1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.933 -1.237 1.479 1.00 0.00 H new ATOM 511 N GLN A 34 -5.117 3.250 4.247 1.00 0.00 N ATOM 512 CA GLN A 34 -4.151 4.313 4.022 1.00 0.00 C ATOM 513 C GLN A 34 -2.741 3.732 3.908 1.00 0.00 C ATOM 514 O GLN A 34 -2.407 2.763 4.588 1.00 0.00 O ATOM 515 CB GLN A 34 -4.223 5.362 5.133 1.00 0.00 C ATOM 516 CG GLN A 34 -2.858 5.550 5.800 1.00 0.00 C ATOM 517 CD GLN A 34 -2.893 6.704 6.803 1.00 0.00 C ATOM 518 OE1 GLN A 34 -2.763 7.908 6.249 1.00 0.00 O flip ATOM 519 NE2 GLN A 34 -3.027 6.517 8.001 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.848 2.573 4.961 1.00 0.00 H new ATOM 0 HA GLN A 34 -4.396 4.808 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.564 6.311 4.720 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.957 5.057 5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.568 4.630 6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.102 5.747 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.122 5.568 8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.044 7.310 8.642 1.00 0.00 H new ATOM 528 N LEU A 35 -1.950 4.349 3.042 1.00 0.00 N ATOM 529 CA LEU A 35 -0.583 3.905 2.829 1.00 0.00 C ATOM 530 C LEU A 35 0.355 4.704 3.736 1.00 0.00 C ATOM 531 O LEU A 35 0.068 5.851 4.076 1.00 0.00 O ATOM 532 CB LEU A 35 -0.219 3.985 1.345 1.00 0.00 C ATOM 533 CG LEU A 35 0.982 3.144 0.903 1.00 0.00 C ATOM 534 CD1 LEU A 35 1.044 3.038 -0.622 1.00 0.00 C ATOM 535 CD2 LEU A 35 2.282 3.692 1.493 1.00 0.00 C ATOM 0 H LEU A 35 -2.230 5.153 2.480 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.476 2.856 3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.087 3.678 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.019 5.027 1.096 1.00 0.00 H new ATOM 0 HG LEU A 35 0.854 2.134 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.906 2.436 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.133 2.568 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.138 4.035 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.119 3.076 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.431 4.718 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.224 3.673 2.581 1.00 0.00 H new ATOM 547 N GLU A 36 1.457 4.067 4.103 1.00 0.00 N ATOM 548 CA GLU A 36 2.439 4.704 4.964 1.00 0.00 C ATOM 549 C GLU A 36 3.850 4.251 4.585 1.00 0.00 C ATOM 550 O GLU A 36 4.046 3.120 4.143 1.00 0.00 O ATOM 551 CB GLU A 36 2.146 4.412 6.437 1.00 0.00 C ATOM 552 CG GLU A 36 3.333 4.806 7.320 1.00 0.00 C ATOM 553 CD GLU A 36 3.128 4.326 8.758 1.00 0.00 C ATOM 554 OE1 GLU A 36 3.336 3.140 9.051 1.00 0.00 O ATOM 555 OE2 GLU A 36 2.741 5.235 9.587 1.00 0.00 O ATOM 0 H GLU A 36 1.692 3.116 3.820 1.00 0.00 H new ATOM 0 HA GLU A 36 2.375 5.783 4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.257 4.960 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.929 3.352 6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.250 4.376 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.456 5.889 7.308 1.00 0.00 H new ATOM 563 N TYR A 37 4.799 5.157 4.773 1.00 0.00 N ATOM 564 CA TYR A 37 6.186 4.866 4.456 1.00 0.00 C ATOM 565 C TYR A 37 7.132 5.728 5.294 1.00 0.00 C ATOM 566 O TYR A 37 7.217 6.939 5.093 1.00 0.00 O ATOM 567 CB TYR A 37 6.365 5.220 2.979 1.00 0.00 C ATOM 568 CG TYR A 37 7.803 5.080 2.475 1.00 0.00 C ATOM 569 CD1 TYR A 37 8.639 4.130 3.028 1.00 0.00 C ATOM 570 CD2 TYR A 37 8.265 5.904 1.469 1.00 0.00 C ATOM 571 CE1 TYR A 37 9.992 3.998 2.554 1.00 0.00 C ATOM 572 CE2 TYR A 37 9.618 5.772 0.995 1.00 0.00 C ATOM 573 CZ TYR A 37 10.416 4.826 1.561 1.00 0.00 C ATOM 574 OH TYR A 37 11.693 4.701 1.114 1.00 0.00 O ATOM 0 H TYR A 37 4.634 6.094 5.141 1.00 0.00 H new ATOM 0 HA TYR A 37 6.417 3.821 4.666 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.717 4.579 2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.033 6.246 2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.278 3.486 3.816 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.612 6.648 1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.656 3.258 2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 37 9.992 6.410 0.207 1.00 0.00 H new ATOM 0 HH TYR A 37 11.856 5.356 0.403 1.00 0.00 H new ATOM 584 N ASN A 38 7.820 5.071 6.216 1.00 0.00 N ATOM 585 CA ASN A 38 8.758 5.762 7.086 1.00 0.00 C ATOM 586 C ASN A 38 8.067 6.974 7.712 1.00 0.00 C ATOM 587 O ASN A 38 8.575 8.092 7.637 1.00 0.00 O ATOM 588 CB ASN A 38 9.971 6.265 6.299 1.00 0.00 C ATOM 589 CG ASN A 38 9.544 7.228 5.190 1.00 0.00 C ATOM 590 OD1 ASN A 38 9.742 6.760 3.961 1.00 0.00 O flip ATOM 591 ND2 ASN A 38 9.068 8.325 5.434 1.00 0.00 N flip ATOM 0 H ASN A 38 7.747 4.067 6.380 1.00 0.00 H new ATOM 0 HA ASN A 38 9.089 5.059 7.851 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.664 6.767 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.504 5.419 5.865 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.943 8.623 6.401 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.795 8.944 4.670 1.00 0.00 H new ATOM 598 N GLY A 39 6.917 6.712 8.317 1.00 0.00 N ATOM 599 CA GLY A 39 6.150 7.768 8.957 1.00 0.00 C ATOM 600 C GLY A 39 5.452 8.645 7.917 1.00 0.00 C ATOM 601 O GLY A 39 4.827 9.646 8.264 1.00 0.00 O ATOM 0 H GLY A 39 6.498 5.784 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.409 7.330 9.625 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.810 8.381 9.571 1.00 0.00 H new ATOM 605 N LYS A 40 5.581 8.239 6.663 1.00 0.00 N ATOM 606 CA LYS A 40 4.969 8.975 5.570 1.00 0.00 C ATOM 607 C LYS A 40 3.681 8.270 5.142 1.00 0.00 C ATOM 608 O LYS A 40 3.709 7.387 4.287 1.00 0.00 O ATOM 609 CB LYS A 40 5.971 9.173 4.430 1.00 0.00 C ATOM 610 CG LYS A 40 6.124 10.655 4.085 1.00 0.00 C ATOM 611 CD LYS A 40 7.153 11.328 4.995 1.00 0.00 C ATOM 612 CE LYS A 40 7.362 12.791 4.599 1.00 0.00 C ATOM 613 NZ LYS A 40 7.309 13.663 5.793 1.00 0.00 N ATOM 0 H LYS A 40 6.101 7.409 6.379 1.00 0.00 H new ATOM 0 HA LYS A 40 4.690 9.977 5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.939 8.761 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.638 8.624 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.431 10.760 3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.161 11.156 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.819 11.272 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.101 10.793 4.936 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.325 12.905 4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.596 13.094 3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.453 14.652 5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.381 13.567 6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.056 13.384 6.460 1.00 0.00 H new ATOM 627 N LYS A 41 2.584 8.685 5.757 1.00 0.00 N ATOM 628 CA LYS A 41 1.288 8.103 5.450 1.00 0.00 C ATOM 629 C LYS A 41 0.649 8.874 4.292 1.00 0.00 C ATOM 630 O LYS A 41 0.892 10.069 4.128 1.00 0.00 O ATOM 631 CB LYS A 41 0.416 8.046 6.705 1.00 0.00 C ATOM 632 CG LYS A 41 1.175 7.410 7.871 1.00 0.00 C ATOM 633 CD LYS A 41 2.114 8.421 8.532 1.00 0.00 C ATOM 634 CE LYS A 41 2.051 8.314 10.056 1.00 0.00 C ATOM 635 NZ LYS A 41 0.742 8.790 10.556 1.00 0.00 N ATOM 0 H LYS A 41 2.565 9.417 6.467 1.00 0.00 H new ATOM 0 HA LYS A 41 1.402 7.070 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.099 9.053 6.978 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.488 7.473 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.466 7.031 8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.749 6.556 7.513 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.136 8.248 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.842 9.430 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.209 7.279 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.853 8.903 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.835 9.081 11.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.427 9.601 9.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.043 8.023 10.483 1.00 0.00 H new ATOM 649 N VAL A 42 -0.154 8.158 3.520 1.00 0.00 N ATOM 650 CA VAL A 42 -0.830 8.760 2.382 1.00 0.00 C ATOM 651 C VAL A 42 -2.157 8.037 2.142 1.00 0.00 C ATOM 652 O VAL A 42 -2.575 7.214 2.955 1.00 0.00 O ATOM 653 CB VAL A 42 0.089 8.743 1.159 1.00 0.00 C ATOM 654 CG1 VAL A 42 1.553 8.577 1.575 1.00 0.00 C ATOM 655 CG2 VAL A 42 -0.327 7.648 0.175 1.00 0.00 C ATOM 0 H VAL A 42 -0.352 7.167 3.659 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.061 9.806 2.584 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.010 9.704 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.185 8.568 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.844 9.406 2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.673 7.638 2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.343 7.658 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.272 6.677 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.349 7.828 -0.159 1.00 0.00 H new ATOM 665 N ASN A 43 -2.782 8.372 1.023 1.00 0.00 N ATOM 666 CA ASN A 43 -4.053 7.766 0.666 1.00 0.00 C ATOM 667 C ASN A 43 -3.799 6.530 -0.200 1.00 0.00 C ATOM 668 O ASN A 43 -3.267 6.640 -1.303 1.00 0.00 O ATOM 669 CB ASN A 43 -4.920 8.736 -0.138 1.00 0.00 C ATOM 670 CG ASN A 43 -6.314 8.867 0.478 1.00 0.00 C ATOM 671 OD1 ASN A 43 -7.158 7.905 0.120 1.00 0.00 O flip ATOM 672 ND2 ASN A 43 -6.604 9.784 1.230 1.00 0.00 N flip ATOM 0 H ASN A 43 -2.432 9.055 0.352 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.570 7.500 1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.441 9.714 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.005 8.386 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.907 10.491 1.464 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.543 9.843 1.624 1.00 0.00 H new ATOM 679 N LEU A 44 -4.190 5.382 0.334 1.00 0.00 N ATOM 680 CA LEU A 44 -4.012 4.127 -0.376 1.00 0.00 C ATOM 681 C LEU A 44 -5.100 3.989 -1.442 1.00 0.00 C ATOM 682 O LEU A 44 -5.364 2.890 -1.927 1.00 0.00 O ATOM 683 CB LEU A 44 -3.963 2.956 0.608 1.00 0.00 C ATOM 684 CG LEU A 44 -3.849 1.563 -0.012 1.00 0.00 C ATOM 685 CD1 LEU A 44 -3.070 1.610 -1.327 1.00 0.00 C ATOM 686 CD2 LEU A 44 -3.241 0.569 0.979 1.00 0.00 C ATOM 0 H LEU A 44 -4.630 5.295 1.250 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.054 4.117 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.115 3.105 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.863 2.986 1.222 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.854 1.211 -0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.004 0.606 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.584 2.264 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.066 1.993 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.171 -0.414 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.245 0.905 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.873 0.506 1.865 1.00 0.00 H new ATOM 698 N LYS A 45 -5.704 5.121 -1.776 1.00 0.00 N ATOM 699 CA LYS A 45 -6.758 5.140 -2.775 1.00 0.00 C ATOM 700 C LYS A 45 -6.308 5.986 -3.969 1.00 0.00 C ATOM 701 O LYS A 45 -7.063 6.173 -4.922 1.00 0.00 O ATOM 702 CB LYS A 45 -8.077 5.604 -2.155 1.00 0.00 C ATOM 703 CG LYS A 45 -8.162 5.198 -0.682 1.00 0.00 C ATOM 704 CD LYS A 45 -9.152 4.047 -0.488 1.00 0.00 C ATOM 705 CE LYS A 45 -10.158 4.369 0.618 1.00 0.00 C ATOM 706 NZ LYS A 45 -11.186 3.309 0.709 1.00 0.00 N ATOM 0 H LYS A 45 -5.483 6.031 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.946 4.134 -3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.164 6.687 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.913 5.172 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.176 4.899 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.471 6.054 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.681 3.857 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.610 3.135 -0.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.640 4.464 1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.634 5.329 0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.025 3.680 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.452 3.001 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.804 2.500 1.240 1.00 0.00 H new ATOM 720 N SER A 46 -5.080 6.475 -3.876 1.00 0.00 N ATOM 721 CA SER A 46 -4.521 7.297 -4.936 1.00 0.00 C ATOM 722 C SER A 46 -3.095 6.843 -5.253 1.00 0.00 C ATOM 723 O SER A 46 -2.358 6.430 -4.360 1.00 0.00 O ATOM 724 CB SER A 46 -4.532 8.777 -4.549 1.00 0.00 C ATOM 725 OG SER A 46 -4.570 9.628 -5.692 1.00 0.00 O ATOM 0 H SER A 46 -4.457 6.318 -3.084 1.00 0.00 H new ATOM 0 HA SER A 46 -5.140 7.177 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.397 8.980 -3.917 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.645 9.004 -3.958 1.00 0.00 H new ATOM 0 HG SER A 46 -5.446 10.064 -5.746 1.00 0.00 H new ATOM 731 N ILE A 47 -2.749 6.936 -6.530 1.00 0.00 N ATOM 732 CA ILE A 47 -1.424 6.539 -6.976 1.00 0.00 C ATOM 733 C ILE A 47 -0.438 7.676 -6.705 1.00 0.00 C ATOM 734 O ILE A 47 0.547 7.492 -5.991 1.00 0.00 O ATOM 735 CB ILE A 47 -1.463 6.095 -8.440 1.00 0.00 C ATOM 736 CG1 ILE A 47 -0.855 4.701 -8.606 1.00 0.00 C ATOM 737 CG2 ILE A 47 -0.786 7.127 -9.345 1.00 0.00 C ATOM 738 CD1 ILE A 47 -1.627 3.664 -7.786 1.00 0.00 C ATOM 0 H ILE A 47 -3.363 7.280 -7.268 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.076 5.673 -6.413 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.506 6.031 -8.750 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.866 4.419 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.188 4.716 -8.291 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.828 6.787 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.302 8.083 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.255 7.247 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.174 2.682 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.593 3.936 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.664 3.635 -8.120 1.00 0.00 H new ATOM 750 N MET A 48 -0.736 8.828 -7.288 1.00 0.00 N ATOM 751 CA MET A 48 0.113 9.995 -7.118 1.00 0.00 C ATOM 752 C MET A 48 1.034 9.831 -5.908 1.00 0.00 C ATOM 753 O MET A 48 2.255 9.901 -6.038 1.00 0.00 O ATOM 754 CB MET A 48 -0.760 11.238 -6.931 1.00 0.00 C ATOM 755 CG MET A 48 -2.113 10.870 -6.319 1.00 0.00 C ATOM 756 SD MET A 48 -2.640 12.149 -5.190 1.00 0.00 S ATOM 757 CE MET A 48 -3.984 12.857 -6.129 1.00 0.00 C ATOM 0 H MET A 48 -1.554 8.978 -7.879 1.00 0.00 H new ATOM 0 HA MET A 48 0.731 10.105 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 48 -0.248 11.953 -6.287 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.913 11.728 -7.893 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.855 10.741 -7.107 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.037 9.918 -5.793 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.348 13.752 -5.625 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.632 13.120 -7.126 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.793 12.131 -6.210 1.00 0.00 H new ATOM 767 N GLY A 49 0.414 9.615 -4.757 1.00 0.00 N ATOM 768 CA GLY A 49 1.163 9.441 -3.524 1.00 0.00 C ATOM 769 C GLY A 49 1.990 8.155 -3.562 1.00 0.00 C ATOM 770 O GLY A 49 3.218 8.202 -3.598 1.00 0.00 O ATOM 0 H GLY A 49 -0.599 9.557 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.821 10.296 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.476 9.411 -2.678 1.00 0.00 H new ATOM 774 N VAL A 50 1.282 7.034 -3.554 1.00 0.00 N ATOM 775 CA VAL A 50 1.935 5.737 -3.588 1.00 0.00 C ATOM 776 C VAL A 50 3.107 5.785 -4.570 1.00 0.00 C ATOM 777 O VAL A 50 4.125 5.126 -4.362 1.00 0.00 O ATOM 778 CB VAL A 50 0.916 4.646 -3.926 1.00 0.00 C ATOM 779 CG1 VAL A 50 1.589 3.275 -4.012 1.00 0.00 C ATOM 780 CG2 VAL A 50 -0.230 4.634 -2.913 1.00 0.00 C ATOM 0 H VAL A 50 0.263 6.998 -3.524 1.00 0.00 H new ATOM 0 HA VAL A 50 2.343 5.490 -2.608 1.00 0.00 H new ATOM 0 HB VAL A 50 0.494 4.873 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.843 2.518 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.353 3.293 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.052 3.036 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.940 3.850 -3.176 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.168 4.444 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.735 5.600 -2.924 1.00 0.00 H new ATOM 790 N MET A 51 2.926 6.574 -5.619 1.00 0.00 N ATOM 791 CA MET A 51 3.956 6.717 -6.635 1.00 0.00 C ATOM 792 C MET A 51 5.052 7.678 -6.171 1.00 0.00 C ATOM 793 O MET A 51 6.236 7.351 -6.231 1.00 0.00 O ATOM 794 CB MET A 51 3.328 7.243 -7.927 1.00 0.00 C ATOM 795 CG MET A 51 2.362 6.219 -8.524 1.00 0.00 C ATOM 796 SD MET A 51 2.220 6.467 -10.286 1.00 0.00 S ATOM 797 CE MET A 51 3.942 6.388 -10.750 1.00 0.00 C ATOM 0 H MET A 51 2.082 7.121 -5.788 1.00 0.00 H new ATOM 0 HA MET A 51 4.406 5.740 -6.811 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.798 8.174 -7.725 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.112 7.473 -8.649 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.717 5.209 -8.318 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.383 6.314 -8.055 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.031 5.947 -11.743 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.363 7.394 -10.760 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.485 5.775 -10.031 1.00 0.00 H new ATOM 807 N SER A 52 4.619 8.846 -5.718 1.00 0.00 N ATOM 808 CA SER A 52 5.549 9.856 -5.245 1.00 0.00 C ATOM 809 C SER A 52 6.016 9.516 -3.829 1.00 0.00 C ATOM 810 O SER A 52 6.669 10.327 -3.174 1.00 0.00 O ATOM 811 CB SER A 52 4.913 11.248 -5.274 1.00 0.00 C ATOM 812 OG SER A 52 5.822 12.260 -4.851 1.00 0.00 O ATOM 0 H SER A 52 3.636 9.115 -5.669 1.00 0.00 H new ATOM 0 HA SER A 52 6.411 9.866 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.570 11.469 -6.285 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.034 11.258 -4.630 1.00 0.00 H new ATOM 0 HG SER A 52 6.407 11.902 -4.151 1.00 0.00 H new ATOM 818 N LEU A 53 5.663 8.313 -3.397 1.00 0.00 N ATOM 819 CA LEU A 53 6.038 7.855 -2.070 1.00 0.00 C ATOM 820 C LEU A 53 7.440 7.245 -2.123 1.00 0.00 C ATOM 821 O LEU A 53 7.883 6.616 -1.163 1.00 0.00 O ATOM 822 CB LEU A 53 4.975 6.908 -1.511 1.00 0.00 C ATOM 823 CG LEU A 53 3.923 7.541 -0.597 1.00 0.00 C ATOM 824 CD1 LEU A 53 4.334 7.427 0.872 1.00 0.00 C ATOM 825 CD2 LEU A 53 3.645 8.990 -1.004 1.00 0.00 C ATOM 0 H LEU A 53 5.122 7.642 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 53 6.082 8.694 -1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.462 6.435 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.478 6.116 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 53 2.991 6.989 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.570 7.884 1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.442 6.376 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.284 7.940 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.894 9.417 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.565 9.571 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.278 9.016 -2.030 1.00 0.00 H new ATOM 837 N GLY A 54 8.098 7.453 -3.253 1.00 0.00 N ATOM 838 CA GLY A 54 9.441 6.931 -3.444 1.00 0.00 C ATOM 839 C GLY A 54 9.611 5.585 -2.736 1.00 0.00 C ATOM 840 O GLY A 54 10.605 5.363 -2.047 1.00 0.00 O ATOM 0 H GLY A 54 7.727 7.976 -4.046 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.642 6.814 -4.509 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.170 7.644 -3.059 1.00 0.00 H new ATOM 844 N VAL A 55 8.626 4.721 -2.931 1.00 0.00 N ATOM 845 CA VAL A 55 8.655 3.403 -2.320 1.00 0.00 C ATOM 846 C VAL A 55 9.863 2.627 -2.849 1.00 0.00 C ATOM 847 O VAL A 55 9.707 1.589 -3.488 1.00 0.00 O ATOM 848 CB VAL A 55 7.328 2.682 -2.568 1.00 0.00 C ATOM 849 CG1 VAL A 55 7.215 1.428 -1.700 1.00 0.00 C ATOM 850 CG2 VAL A 55 6.142 3.621 -2.332 1.00 0.00 C ATOM 0 H VAL A 55 7.803 4.908 -3.503 1.00 0.00 H new ATOM 0 HA VAL A 55 8.769 3.486 -1.239 1.00 0.00 H new ATOM 0 HB VAL A 55 7.306 2.370 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.263 0.935 -1.896 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.032 0.747 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.269 1.708 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.211 3.084 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.159 3.977 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.210 4.471 -3.011 1.00 0.00 H new ATOM 860 N GLY A 56 11.041 3.161 -2.559 1.00 0.00 N ATOM 861 CA GLY A 56 12.276 2.532 -2.997 1.00 0.00 C ATOM 862 C GLY A 56 12.436 1.146 -2.370 1.00 0.00 C ATOM 863 O GLY A 56 11.722 0.799 -1.431 1.00 0.00 O ATOM 0 H GLY A 56 11.166 4.022 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.279 2.446 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.125 3.159 -2.724 1.00 0.00 H new ATOM 867 N LYS A 57 13.380 0.391 -2.915 1.00 0.00 N ATOM 868 CA LYS A 57 13.643 -0.949 -2.421 1.00 0.00 C ATOM 869 C LYS A 57 14.313 -0.860 -1.047 1.00 0.00 C ATOM 870 O LYS A 57 14.868 0.178 -0.691 1.00 0.00 O ATOM 871 CB LYS A 57 14.448 -1.750 -3.447 1.00 0.00 C ATOM 872 CG LYS A 57 14.079 -3.234 -3.395 1.00 0.00 C ATOM 873 CD LYS A 57 14.999 -4.059 -4.298 1.00 0.00 C ATOM 874 CE LYS A 57 16.020 -4.843 -3.471 1.00 0.00 C ATOM 875 NZ LYS A 57 15.333 -5.771 -2.544 1.00 0.00 N ATOM 0 H LYS A 57 13.971 0.683 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 57 12.709 -1.495 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 57 14.260 -1.360 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 57 15.514 -1.629 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 57 14.151 -3.595 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.043 -3.366 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.404 -4.749 -4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 57 15.518 -3.400 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 57 16.680 -5.403 -4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 57 16.646 -4.153 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.994 -6.516 -2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.003 -5.246 -1.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.519 -6.203 -3.026 1.00 0.00 H new ATOM 889 N ASP A 58 14.239 -1.962 -0.316 1.00 0.00 N ATOM 890 CA ASP A 58 14.831 -2.020 1.010 1.00 0.00 C ATOM 891 C ASP A 58 14.116 -1.027 1.928 1.00 0.00 C ATOM 892 O ASP A 58 14.517 -0.835 3.075 1.00 0.00 O ATOM 893 CB ASP A 58 16.313 -1.641 0.968 1.00 0.00 C ATOM 894 CG ASP A 58 16.920 -1.252 2.318 1.00 0.00 C ATOM 895 OD1 ASP A 58 17.235 -2.118 3.149 1.00 0.00 O ATOM 896 OD2 ASP A 58 17.068 0.015 2.505 1.00 0.00 O ATOM 0 H ASP A 58 13.779 -2.821 -0.616 1.00 0.00 H new ATOM 0 HA ASP A 58 14.729 -3.040 1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.876 -2.481 0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.440 -0.808 0.276 1.00 0.00 H new ATOM 902 N ALA A 59 13.067 -0.422 1.389 1.00 0.00 N ATOM 903 CA ALA A 59 12.291 0.546 2.146 1.00 0.00 C ATOM 904 C ALA A 59 11.072 -0.149 2.755 1.00 0.00 C ATOM 905 O ALA A 59 10.414 -0.949 2.093 1.00 0.00 O ATOM 906 CB ALA A 59 11.903 1.713 1.236 1.00 0.00 C ATOM 0 H ALA A 59 12.737 -0.583 0.438 1.00 0.00 H new ATOM 0 HA ALA A 59 12.881 0.955 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.321 2.439 1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.805 2.191 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.307 1.342 0.403 1.00 0.00 H new ATOM 912 N GLU A 60 10.809 0.183 4.011 1.00 0.00 N ATOM 913 CA GLU A 60 9.680 -0.399 4.718 1.00 0.00 C ATOM 914 C GLU A 60 8.459 0.518 4.615 1.00 0.00 C ATOM 915 O GLU A 60 8.516 1.680 5.013 1.00 0.00 O ATOM 916 CB GLU A 60 10.034 -0.679 6.180 1.00 0.00 C ATOM 917 CG GLU A 60 11.254 -1.596 6.282 1.00 0.00 C ATOM 918 CD GLU A 60 11.502 -2.018 7.732 1.00 0.00 C ATOM 919 OE1 GLU A 60 10.545 -2.188 8.501 1.00 0.00 O ATOM 920 OE2 GLU A 60 12.743 -2.169 8.051 1.00 0.00 O ATOM 0 H GLU A 60 11.358 0.847 4.557 1.00 0.00 H new ATOM 0 HA GLU A 60 9.435 -1.352 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.236 0.260 6.695 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.184 -1.141 6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.102 -2.480 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.133 -1.082 5.893 1.00 0.00 H new ATOM 928 N ILE A 61 7.384 -0.040 4.078 1.00 0.00 N ATOM 929 CA ILE A 61 6.152 0.713 3.918 1.00 0.00 C ATOM 930 C ILE A 61 5.079 0.129 4.839 1.00 0.00 C ATOM 931 O ILE A 61 5.299 -0.896 5.482 1.00 0.00 O ATOM 932 CB ILE A 61 5.739 0.759 2.445 1.00 0.00 C ATOM 933 CG1 ILE A 61 5.747 -0.643 1.830 1.00 0.00 C ATOM 934 CG2 ILE A 61 6.617 1.735 1.660 1.00 0.00 C ATOM 935 CD1 ILE A 61 4.678 -0.770 0.744 1.00 0.00 C ATOM 0 H ILE A 61 7.341 -1.004 3.748 1.00 0.00 H new ATOM 0 HA ILE A 61 6.299 1.751 4.217 1.00 0.00 H new ATOM 0 HB ILE A 61 4.716 1.130 2.388 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.729 -0.852 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.571 -1.386 2.608 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.303 1.749 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.517 2.735 2.082 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.658 1.418 1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.705 -1.775 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.695 -0.584 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.871 -0.042 -0.044 1.00 0.00 H new ATOM 947 N THR A 62 3.940 0.807 4.874 1.00 0.00 N ATOM 948 CA THR A 62 2.834 0.368 5.705 1.00 0.00 C ATOM 949 C THR A 62 1.501 0.801 5.092 1.00 0.00 C ATOM 950 O THR A 62 1.459 1.722 4.277 1.00 0.00 O ATOM 951 CB THR A 62 3.058 0.914 7.118 1.00 0.00 C ATOM 952 OG1 THR A 62 4.239 0.252 7.562 1.00 0.00 O ATOM 953 CG2 THR A 62 1.980 0.452 8.102 1.00 0.00 C ATOM 0 H THR A 62 3.761 1.657 4.340 1.00 0.00 H new ATOM 0 HA THR A 62 2.791 -0.720 5.763 1.00 0.00 H new ATOM 0 HB THR A 62 3.079 2.003 7.087 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.458 0.548 8.470 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.186 0.867 9.089 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.004 0.796 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.982 -0.637 8.159 1.00 0.00 H new ATOM 961 N ILE A 63 0.445 0.117 5.506 1.00 0.00 N ATOM 962 CA ILE A 63 -0.885 0.419 5.006 1.00 0.00 C ATOM 963 C ILE A 63 -1.895 0.300 6.150 1.00 0.00 C ATOM 964 O ILE A 63 -1.853 -0.657 6.922 1.00 0.00 O ATOM 965 CB ILE A 63 -1.218 -0.461 3.799 1.00 0.00 C ATOM 966 CG1 ILE A 63 -1.446 -1.913 4.225 1.00 0.00 C ATOM 967 CG2 ILE A 63 -0.139 -0.343 2.721 1.00 0.00 C ATOM 968 CD1 ILE A 63 -2.858 -2.375 3.865 1.00 0.00 C ATOM 0 H ILE A 63 0.483 -0.646 6.182 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.931 1.446 4.644 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.151 -0.103 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.714 -2.558 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.291 -2.009 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.400 -0.978 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.068 0.693 2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.820 -0.660 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.993 -3.410 4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.588 -1.744 4.372 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.001 -2.301 2.787 1.00 0.00 H new ATOM 980 N TYR A 64 -2.778 1.284 6.223 1.00 0.00 N ATOM 981 CA TYR A 64 -3.796 1.302 7.259 1.00 0.00 C ATOM 982 C TYR A 64 -5.177 0.996 6.677 1.00 0.00 C ATOM 983 O TYR A 64 -5.388 1.116 5.471 1.00 0.00 O ATOM 984 CB TYR A 64 -3.798 2.723 7.824 1.00 0.00 C ATOM 985 CG TYR A 64 -2.529 3.088 8.596 1.00 0.00 C ATOM 986 CD1 TYR A 64 -1.306 3.084 7.954 1.00 0.00 C ATOM 987 CD2 TYR A 64 -2.605 3.422 9.933 1.00 0.00 C ATOM 988 CE1 TYR A 64 -0.111 3.427 8.681 1.00 0.00 C ATOM 989 CE2 TYR A 64 -1.410 3.765 10.659 1.00 0.00 C ATOM 990 CZ TYR A 64 -0.222 3.751 9.998 1.00 0.00 C ATOM 991 OH TYR A 64 0.906 4.075 10.684 1.00 0.00 O ATOM 0 H TYR A 64 -2.810 2.076 5.581 1.00 0.00 H new ATOM 0 HA TYR A 64 -3.583 0.550 8.019 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.927 3.429 7.004 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.658 2.840 8.483 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.246 2.824 6.908 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.561 3.426 10.435 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.852 3.427 8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -1.456 4.028 11.706 1.00 0.00 H new ATOM 0 HH TYR A 64 1.289 4.898 10.314 1.00 0.00 H new ATOM 1001 N ALA A 65 -6.084 0.603 7.560 1.00 0.00 N ATOM 1002 CA ALA A 65 -7.439 0.279 7.149 1.00 0.00 C ATOM 1003 C ALA A 65 -8.388 0.480 8.331 1.00 0.00 C ATOM 1004 O ALA A 65 -8.188 -0.099 9.398 1.00 0.00 O ATOM 1005 CB ALA A 65 -7.478 -1.152 6.607 1.00 0.00 C ATOM 0 H ALA A 65 -5.906 0.502 8.559 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.766 0.942 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.494 -1.397 6.298 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.809 -1.235 5.751 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.159 -1.845 7.386 1.00 0.00 H new ATOM 1011 N ASP A 66 -9.400 1.303 8.103 1.00 0.00 N ATOM 1012 CA ASP A 66 -10.381 1.589 9.136 1.00 0.00 C ATOM 1013 C ASP A 66 -11.785 1.550 8.526 1.00 0.00 C ATOM 1014 O ASP A 66 -12.296 2.572 8.072 1.00 0.00 O ATOM 1015 CB ASP A 66 -10.164 2.980 9.734 1.00 0.00 C ATOM 1016 CG ASP A 66 -10.724 3.173 11.143 1.00 0.00 C ATOM 1017 OD1 ASP A 66 -10.611 4.258 11.733 1.00 0.00 O ATOM 1018 OD2 ASP A 66 -11.306 2.137 11.646 1.00 0.00 O ATOM 0 H ASP A 66 -9.562 1.782 7.217 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.272 0.839 9.920 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.094 3.188 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.620 3.718 9.074 1.00 0.00 H new ATOM 1024 N GLY A 67 -12.367 0.360 8.536 1.00 0.00 N ATOM 1025 CA GLY A 67 -13.700 0.174 7.989 1.00 0.00 C ATOM 1026 C GLY A 67 -14.330 -1.119 8.509 1.00 0.00 C ATOM 1027 O GLY A 67 -14.107 -1.507 9.655 1.00 0.00 O ATOM 0 H GLY A 67 -11.940 -0.485 8.914 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -14.329 1.023 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.650 0.146 6.901 1.00 0.00 H new ATOM 1031 N SER A 68 -15.107 -1.751 7.641 1.00 0.00 N ATOM 1032 CA SER A 68 -15.772 -2.993 7.998 1.00 0.00 C ATOM 1033 C SER A 68 -14.966 -4.186 7.478 1.00 0.00 C ATOM 1034 O SER A 68 -15.049 -5.283 8.029 1.00 0.00 O ATOM 1035 CB SER A 68 -17.197 -3.034 7.443 1.00 0.00 C ATOM 1036 OG SER A 68 -17.217 -3.250 6.036 1.00 0.00 O ATOM 0 H SER A 68 -15.291 -1.426 6.692 1.00 0.00 H new ATOM 0 HA SER A 68 -15.832 -3.049 9.085 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.756 -3.827 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.702 -2.096 7.673 1.00 0.00 H new ATOM 0 HG SER A 68 -18.145 -3.271 5.721 1.00 0.00 H new ATOM 1042 N ASP A 69 -14.205 -3.931 6.424 1.00 0.00 N ATOM 1043 CA ASP A 69 -13.386 -4.970 5.824 1.00 0.00 C ATOM 1044 C ASP A 69 -11.909 -4.611 5.995 1.00 0.00 C ATOM 1045 O ASP A 69 -11.035 -5.288 5.455 1.00 0.00 O ATOM 1046 CB ASP A 69 -13.671 -5.100 4.326 1.00 0.00 C ATOM 1047 CG ASP A 69 -15.061 -5.635 3.976 1.00 0.00 C ATOM 1048 OD1 ASP A 69 -15.510 -6.653 4.522 1.00 0.00 O ATOM 1049 OD2 ASP A 69 -15.700 -4.951 3.089 1.00 0.00 O ATOM 0 H ASP A 69 -14.138 -3.020 5.970 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.621 -5.912 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.547 -4.122 3.862 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.923 -5.759 3.885 1.00 0.00 H new ATOM 1055 N GLU A 70 -11.675 -3.546 6.748 1.00 0.00 N ATOM 1056 CA GLU A 70 -10.318 -3.089 6.997 1.00 0.00 C ATOM 1057 C GLU A 70 -9.357 -4.278 7.040 1.00 0.00 C ATOM 1058 O GLU A 70 -8.433 -4.364 6.233 1.00 0.00 O ATOM 1059 CB GLU A 70 -10.243 -2.275 8.291 1.00 0.00 C ATOM 1060 CG GLU A 70 -11.336 -2.701 9.271 1.00 0.00 C ATOM 1061 CD GLU A 70 -11.061 -2.153 10.673 1.00 0.00 C ATOM 1062 OE1 GLU A 70 -9.908 -1.827 10.995 1.00 0.00 O ATOM 1063 OE2 GLU A 70 -12.095 -2.069 11.438 1.00 0.00 O ATOM 0 H GLU A 70 -12.402 -2.986 7.194 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.019 -2.435 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.264 -2.408 8.752 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.347 -1.214 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.304 -2.342 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.393 -3.789 9.307 1.00 0.00 H new ATOM 1071 N SER A 71 -9.607 -5.166 7.992 1.00 0.00 N ATOM 1072 CA SER A 71 -8.775 -6.347 8.152 1.00 0.00 C ATOM 1073 C SER A 71 -8.689 -7.109 6.828 1.00 0.00 C ATOM 1074 O SER A 71 -7.608 -7.526 6.417 1.00 0.00 O ATOM 1075 CB SER A 71 -9.318 -7.257 9.254 1.00 0.00 C ATOM 1076 OG SER A 71 -8.531 -7.188 10.440 1.00 0.00 O ATOM 0 H SER A 71 -10.374 -5.091 8.660 1.00 0.00 H new ATOM 0 HA SER A 71 -7.775 -6.025 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.345 -6.975 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.343 -8.286 8.895 1.00 0.00 H new ATOM 0 HG SER A 71 -8.360 -6.250 10.665 1.00 0.00 H new ATOM 1082 N ASP A 72 -9.843 -7.268 6.197 1.00 0.00 N ATOM 1083 CA ASP A 72 -9.912 -7.973 4.929 1.00 0.00 C ATOM 1084 C ASP A 72 -9.116 -7.199 3.877 1.00 0.00 C ATOM 1085 O ASP A 72 -8.519 -7.796 2.981 1.00 0.00 O ATOM 1086 CB ASP A 72 -11.357 -8.086 4.439 1.00 0.00 C ATOM 1087 CG ASP A 72 -11.711 -9.414 3.768 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -11.700 -9.530 2.533 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -12.011 -10.372 4.579 1.00 0.00 O ATOM 0 H ASP A 72 -10.738 -6.920 6.541 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.502 -8.972 5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.025 -7.936 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.550 -7.277 3.734 1.00 0.00 H new ATOM 1095 N ALA A 73 -9.130 -5.882 4.019 1.00 0.00 N ATOM 1096 CA ALA A 73 -8.416 -5.020 3.093 1.00 0.00 C ATOM 1097 C ALA A 73 -6.911 -5.190 3.303 1.00 0.00 C ATOM 1098 O ALA A 73 -6.135 -5.118 2.350 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.873 -3.573 3.286 1.00 0.00 C ATOM 0 H ALA A 73 -9.625 -5.390 4.763 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.638 -5.296 2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.337 -2.926 2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.944 -3.501 3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.664 -3.259 4.309 1.00 0.00 H new ATOM 1105 N ILE A 74 -6.541 -5.411 4.555 1.00 0.00 N ATOM 1106 CA ILE A 74 -5.142 -5.591 4.902 1.00 0.00 C ATOM 1107 C ILE A 74 -4.663 -6.947 4.382 1.00 0.00 C ATOM 1108 O ILE A 74 -3.514 -7.086 3.965 1.00 0.00 O ATOM 1109 CB ILE A 74 -4.934 -5.401 6.406 1.00 0.00 C ATOM 1110 CG1 ILE A 74 -3.927 -4.283 6.684 1.00 0.00 C ATOM 1111 CG2 ILE A 74 -4.528 -6.716 7.074 1.00 0.00 C ATOM 1112 CD1 ILE A 74 -4.588 -3.123 7.431 1.00 0.00 C ATOM 0 H ILE A 74 -7.186 -5.470 5.343 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.529 -4.829 4.420 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.884 -5.096 6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.098 -4.674 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.509 -3.924 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.387 -6.553 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.311 -7.459 6.921 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.597 -7.075 6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -3.850 -2.342 7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.401 -2.719 6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.984 -3.481 8.381 1.00 0.00 H new ATOM 1124 N GLN A 75 -5.567 -7.915 4.424 1.00 0.00 N ATOM 1125 CA GLN A 75 -5.250 -9.256 3.961 1.00 0.00 C ATOM 1126 C GLN A 75 -5.106 -9.272 2.439 1.00 0.00 C ATOM 1127 O GLN A 75 -4.372 -10.093 1.890 1.00 0.00 O ATOM 1128 CB GLN A 75 -6.311 -10.259 4.422 1.00 0.00 C ATOM 1129 CG GLN A 75 -6.161 -10.569 5.914 1.00 0.00 C ATOM 1130 CD GLN A 75 -4.720 -10.957 6.251 1.00 0.00 C ATOM 1131 OE1 GLN A 75 -3.960 -9.935 6.632 1.00 0.00 O flip ATOM 1132 NE2 GLN A 75 -4.325 -12.108 6.170 1.00 0.00 N flip ATOM 0 H GLN A 75 -6.519 -7.798 4.771 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.298 -9.555 4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.305 -9.857 4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.222 -11.179 3.845 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -6.454 -9.699 6.501 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.834 -11.381 6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.962 -12.846 5.870 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.357 -12.333 6.402 1.00 0.00 H new ATOM 1141 N ALA A 76 -5.818 -8.356 1.799 1.00 0.00 N ATOM 1142 CA ALA A 76 -5.778 -8.254 0.350 1.00 0.00 C ATOM 1143 C ALA A 76 -4.491 -7.542 -0.071 1.00 0.00 C ATOM 1144 O ALA A 76 -3.850 -7.936 -1.045 1.00 0.00 O ATOM 1145 CB ALA A 76 -7.033 -7.534 -0.147 1.00 0.00 C ATOM 0 H ALA A 76 -6.426 -7.678 2.258 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.770 -9.245 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.002 -7.458 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.918 -8.096 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.074 -6.534 0.286 1.00 0.00 H new ATOM 1151 N ILE A 77 -4.152 -6.506 0.681 1.00 0.00 N ATOM 1152 CA ILE A 77 -2.954 -5.735 0.398 1.00 0.00 C ATOM 1153 C ILE A 77 -1.742 -6.668 0.389 1.00 0.00 C ATOM 1154 O ILE A 77 -1.164 -6.933 -0.664 1.00 0.00 O ATOM 1155 CB ILE A 77 -2.824 -4.567 1.377 1.00 0.00 C ATOM 1156 CG1 ILE A 77 -3.460 -3.298 0.806 1.00 0.00 C ATOM 1157 CG2 ILE A 77 -1.363 -4.347 1.777 1.00 0.00 C ATOM 1158 CD1 ILE A 77 -4.810 -3.016 1.465 1.00 0.00 C ATOM 0 H ILE A 77 -4.687 -6.182 1.487 1.00 0.00 H new ATOM 0 HA ILE A 77 -3.017 -5.284 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.372 -4.820 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.792 -2.451 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.593 -3.406 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.298 -3.511 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.977 -5.248 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.772 -4.125 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.240 -2.109 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.484 -3.854 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.671 -2.884 2.538 1.00 0.00 H new ATOM 1170 N SER A 78 -1.392 -7.143 1.576 1.00 0.00 N ATOM 1171 CA SER A 78 -0.260 -8.042 1.719 1.00 0.00 C ATOM 1172 C SER A 78 -0.249 -9.056 0.574 1.00 0.00 C ATOM 1173 O SER A 78 0.815 -9.471 0.116 1.00 0.00 O ATOM 1174 CB SER A 78 -0.295 -8.763 3.068 1.00 0.00 C ATOM 1175 OG SER A 78 0.946 -8.662 3.760 1.00 0.00 O ATOM 0 H SER A 78 -1.873 -6.922 2.448 1.00 0.00 H new ATOM 0 HA SER A 78 0.654 -7.449 1.679 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.089 -8.341 3.684 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.538 -9.814 2.911 1.00 0.00 H new ATOM 0 HG SER A 78 0.948 -7.852 4.312 1.00 0.00 H new ATOM 1181 N ASP A 79 -1.446 -9.428 0.143 1.00 0.00 N ATOM 1182 CA ASP A 79 -1.588 -10.386 -0.939 1.00 0.00 C ATOM 1183 C ASP A 79 -1.128 -9.743 -2.248 1.00 0.00 C ATOM 1184 O ASP A 79 -0.358 -10.338 -3.000 1.00 0.00 O ATOM 1185 CB ASP A 79 -3.047 -10.813 -1.109 1.00 0.00 C ATOM 1186 CG ASP A 79 -3.256 -12.098 -1.912 1.00 0.00 C ATOM 1187 OD1 ASP A 79 -4.215 -12.217 -2.689 1.00 0.00 O ATOM 1188 OD2 ASP A 79 -2.372 -13.016 -1.710 1.00 0.00 O ATOM 0 H ASP A 79 -2.327 -9.082 0.524 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.983 -11.259 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.489 -10.944 -0.121 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.592 -10.005 -1.597 1.00 0.00 H new ATOM 1194 N VAL A 80 -1.620 -8.534 -2.481 1.00 0.00 N ATOM 1195 CA VAL A 80 -1.268 -7.803 -3.688 1.00 0.00 C ATOM 1196 C VAL A 80 0.227 -7.478 -3.664 1.00 0.00 C ATOM 1197 O VAL A 80 0.894 -7.532 -4.696 1.00 0.00 O ATOM 1198 CB VAL A 80 -2.149 -6.559 -3.819 1.00 0.00 C ATOM 1199 CG1 VAL A 80 -1.747 -5.731 -5.042 1.00 0.00 C ATOM 1200 CG2 VAL A 80 -3.630 -6.939 -3.877 1.00 0.00 C ATOM 0 H VAL A 80 -2.259 -8.043 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.453 -8.412 -4.573 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.996 -5.944 -2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.388 -4.852 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.708 -5.415 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.858 -6.335 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.234 -6.036 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.807 -7.584 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.906 -7.468 -2.965 1.00 0.00 H new ATOM 1210 N LEU A 81 0.709 -7.147 -2.475 1.00 0.00 N ATOM 1211 CA LEU A 81 2.113 -6.813 -2.304 1.00 0.00 C ATOM 1212 C LEU A 81 2.968 -8.033 -2.647 1.00 0.00 C ATOM 1213 O LEU A 81 3.905 -7.937 -3.438 1.00 0.00 O ATOM 1214 CB LEU A 81 2.365 -6.260 -0.899 1.00 0.00 C ATOM 1215 CG LEU A 81 1.801 -4.866 -0.616 1.00 0.00 C ATOM 1216 CD1 LEU A 81 1.656 -4.629 0.888 1.00 0.00 C ATOM 1217 CD2 LEU A 81 2.649 -3.784 -1.288 1.00 0.00 C ATOM 0 H LEU A 81 0.153 -7.103 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 81 2.402 -6.018 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.941 -6.956 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.441 -6.237 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 81 0.803 -4.807 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.253 -3.631 1.062 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.979 -5.372 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.632 -4.715 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.226 -2.803 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.669 -3.832 -0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.657 -3.945 -2.366 1.00 0.00 H new ATOM 1229 N SER A 82 2.618 -9.154 -2.034 1.00 0.00 N ATOM 1230 CA SER A 82 3.342 -10.392 -2.264 1.00 0.00 C ATOM 1231 C SER A 82 2.993 -10.954 -3.643 1.00 0.00 C ATOM 1232 O SER A 82 3.814 -11.617 -4.274 1.00 0.00 O ATOM 1233 CB SER A 82 3.030 -11.423 -1.177 1.00 0.00 C ATOM 1234 OG SER A 82 4.025 -11.442 -0.157 1.00 0.00 O ATOM 0 H SER A 82 1.841 -9.231 -1.377 1.00 0.00 H new ATOM 0 HA SER A 82 4.410 -10.175 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.060 -11.199 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.954 -12.413 -1.627 1.00 0.00 H new ATOM 0 HG SER A 82 3.788 -12.112 0.518 1.00 0.00 H new ATOM 1240 N LYS A 83 1.772 -10.668 -4.072 1.00 0.00 N ATOM 1241 CA LYS A 83 1.303 -11.136 -5.365 1.00 0.00 C ATOM 1242 C LYS A 83 2.256 -10.644 -6.457 1.00 0.00 C ATOM 1243 O LYS A 83 2.575 -11.381 -7.388 1.00 0.00 O ATOM 1244 CB LYS A 83 -0.153 -10.725 -5.589 1.00 0.00 C ATOM 1245 CG LYS A 83 -1.112 -11.736 -4.958 1.00 0.00 C ATOM 1246 CD LYS A 83 -2.004 -12.383 -6.018 1.00 0.00 C ATOM 1247 CE LYS A 83 -3.090 -13.244 -5.371 1.00 0.00 C ATOM 1248 NZ LYS A 83 -3.756 -14.088 -6.388 1.00 0.00 N ATOM 0 H LYS A 83 1.093 -10.118 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 83 1.311 -12.225 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.326 -9.738 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.352 -10.648 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.543 -12.506 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.731 -11.238 -4.212 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.466 -11.609 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.397 -12.997 -6.684 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.650 -13.874 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.825 -12.605 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.491 -14.666 -5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.192 -13.481 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.054 -14.711 -6.836 1.00 0.00 H new ATOM 1262 N GLU A 84 2.686 -9.398 -6.305 1.00 0.00 N ATOM 1263 CA GLU A 84 3.595 -8.799 -7.265 1.00 0.00 C ATOM 1264 C GLU A 84 5.039 -9.192 -6.947 1.00 0.00 C ATOM 1265 O GLU A 84 5.795 -9.572 -7.840 1.00 0.00 O ATOM 1266 CB GLU A 84 3.436 -7.278 -7.297 1.00 0.00 C ATOM 1267 CG GLU A 84 1.976 -6.875 -7.074 1.00 0.00 C ATOM 1268 CD GLU A 84 1.462 -6.017 -8.232 1.00 0.00 C ATOM 1269 OE1 GLU A 84 0.587 -5.162 -8.029 1.00 0.00 O ATOM 1270 OE2 GLU A 84 2.004 -6.264 -9.376 1.00 0.00 O ATOM 0 H GLU A 84 2.421 -8.789 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 84 3.345 -9.178 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.063 -6.827 -6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.781 -6.893 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.359 -7.768 -6.977 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.886 -6.322 -6.139 1.00 0.00 H new ATOM 1278 N GLY A 85 5.379 -9.088 -5.670 1.00 0.00 N ATOM 1279 CA GLY A 85 6.719 -9.428 -5.222 1.00 0.00 C ATOM 1280 C GLY A 85 7.498 -8.173 -4.825 1.00 0.00 C ATOM 1281 O GLY A 85 8.729 -8.170 -4.846 1.00 0.00 O ATOM 0 H GLY A 85 4.750 -8.773 -4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.661 -10.108 -4.372 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.249 -9.954 -6.016 1.00 0.00 H new ATOM 1285 N LEU A 86 6.752 -7.137 -4.474 1.00 0.00 N ATOM 1286 CA LEU A 86 7.358 -5.878 -4.072 1.00 0.00 C ATOM 1287 C LEU A 86 7.904 -6.011 -2.650 1.00 0.00 C ATOM 1288 O LEU A 86 8.708 -5.191 -2.210 1.00 0.00 O ATOM 1289 CB LEU A 86 6.366 -4.727 -4.245 1.00 0.00 C ATOM 1290 CG LEU A 86 5.787 -4.546 -5.650 1.00 0.00 C ATOM 1291 CD1 LEU A 86 4.350 -4.024 -5.588 1.00 0.00 C ATOM 1292 CD2 LEU A 86 6.685 -3.649 -6.503 1.00 0.00 C ATOM 0 H LEU A 86 5.732 -7.143 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 86 8.204 -5.639 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.540 -4.878 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.861 -3.800 -3.955 1.00 0.00 H new ATOM 0 HG LEU A 86 5.755 -5.522 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.962 -3.904 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.728 -4.734 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.334 -3.061 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.250 -3.537 -7.496 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.773 -2.669 -6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.674 -4.100 -6.589 1.00 0.00 H new ATOM 1304 N THR A 87 7.445 -7.050 -1.968 1.00 0.00 N ATOM 1305 CA THR A 87 7.876 -7.301 -0.604 1.00 0.00 C ATOM 1306 C THR A 87 8.216 -8.781 -0.415 1.00 0.00 C ATOM 1307 O THR A 87 7.882 -9.611 -1.259 1.00 0.00 O ATOM 1308 CB THR A 87 6.779 -6.804 0.339 1.00 0.00 C ATOM 1309 OG1 THR A 87 5.835 -7.871 0.365 1.00 0.00 O ATOM 1310 CG2 THR A 87 5.995 -5.626 -0.244 1.00 0.00 C ATOM 0 H THR A 87 6.778 -7.728 -2.336 1.00 0.00 H new ATOM 0 HA THR A 87 8.792 -6.758 -0.373 1.00 0.00 H new ATOM 0 HB THR A 87 7.223 -6.509 1.290 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.089 -7.634 0.955 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.229 -5.312 0.465 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.675 -4.796 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.522 -5.930 -1.178 1.00 0.00 H new ATOM 1318 N LYS A 88 8.877 -9.066 0.698 1.00 0.00 N ATOM 1319 CA LYS A 88 9.264 -10.431 1.008 1.00 0.00 C ATOM 1320 C LYS A 88 9.747 -11.123 -0.269 1.00 0.00 C ATOM 1321 O LYS A 88 10.719 -11.876 -0.241 1.00 0.00 O ATOM 1322 CB LYS A 88 8.122 -11.167 1.711 1.00 0.00 C ATOM 1323 CG LYS A 88 8.141 -10.899 3.218 1.00 0.00 C ATOM 1324 CD LYS A 88 8.615 -12.133 3.988 1.00 0.00 C ATOM 1325 CE LYS A 88 8.778 -11.820 5.477 1.00 0.00 C ATOM 1326 NZ LYS A 88 7.716 -12.485 6.265 1.00 0.00 N ATOM 0 H LYS A 88 9.154 -8.375 1.395 1.00 0.00 H new ATOM 0 HA LYS A 88 10.097 -10.439 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.167 -10.847 1.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.208 -12.238 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.799 -10.057 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.143 -10.618 3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.898 -12.944 3.859 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.564 -12.479 3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.757 -12.154 5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.736 -10.742 5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.841 -12.263 7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.785 -12.146 5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.775 -13.514 6.128 1.00 0.00 H new