USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 872 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 28 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.309 K(o=-0.31,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.534 (180deg=-0.0736) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot -150:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.367 K(o=-0.37,f=-1.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.915 K(o=-0.92,f=-0.051) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.8) USER MOD Single : A 9 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.33) USER MOD Single : A 11 HIS : no HD1:sc= -0.476 X(o=-0.48,f=-0.23) USER MOD Single : A 12 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.537 X(o=-0.54,f=-0.11) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= -0.275 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.424) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.124 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 170:sc= -0.721 USER MOD Single : A 47 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -0.91 K(o=-0.91,f=-2.8!) USER MOD Single : A 50 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 58 CYS SG : rot -137:sc= -1 USER MOD Single : A 61 ASN : amide:sc= -0.485 K(o=-0.48,f=-2.6!) USER MOD Single : A 65 THR OG1 : rot -6:sc= 0.294 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 146:sc= -3.54! (180deg=-9.43!) USER MOD Single : A 71 HIS : no HD1:sc= -3.31 K(o=-3.3,f=-5.5!) USER MOD Single : A 74 CYS SG : rot -7:sc= -2.57! USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 76 THR OG1 : rot -66:sc= 0.953 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -1.64! C(o=-1.6!,f=-1.4!) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.39) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 112 GLN : amide:sc= -0.0262 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.537 24.841 -7.603 1.00 0.00 N ATOM 2 CA MET A 1 8.148 23.785 -6.747 1.00 0.00 C ATOM 3 C MET A 1 7.077 22.880 -6.143 1.00 0.00 C ATOM 4 O MET A 1 6.061 23.356 -5.636 1.00 0.00 O ATOM 5 CB MET A 1 8.970 24.453 -5.639 1.00 0.00 C ATOM 6 CG MET A 1 8.194 25.483 -4.832 1.00 0.00 C ATOM 7 SD MET A 1 8.444 27.171 -5.421 1.00 0.00 S ATOM 8 CE MET A 1 9.453 27.852 -4.108 1.00 0.00 C ATOM 0 H1 MET A 1 7.882 24.740 -8.579 1.00 0.00 H new ATOM 0 H2 MET A 1 6.502 24.742 -7.590 1.00 0.00 H new ATOM 0 H3 MET A 1 7.800 25.779 -7.238 1.00 0.00 H new ATOM 0 HA MET A 1 8.798 23.162 -7.362 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.344 23.684 -4.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.839 24.936 -6.086 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.131 25.243 -4.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.496 25.420 -3.786 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.688 28.892 -4.332 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.908 27.798 -3.165 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.378 27.280 -4.026 1.00 0.00 H new ATOM 20 N GLY A 2 7.305 21.572 -6.212 1.00 0.00 N ATOM 21 CA GLY A 2 6.347 20.621 -5.678 1.00 0.00 C ATOM 22 C GLY A 2 5.542 19.951 -6.774 1.00 0.00 C ATOM 23 O GLY A 2 4.312 19.960 -6.747 1.00 0.00 O ATOM 0 H GLY A 2 8.137 21.154 -6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 2 6.873 19.862 -5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.671 21.133 -4.993 1.00 0.00 H new ATOM 27 N SER A 3 6.242 19.376 -7.747 1.00 0.00 N ATOM 28 CA SER A 3 5.591 18.706 -8.867 1.00 0.00 C ATOM 29 C SER A 3 5.887 17.209 -8.861 1.00 0.00 C ATOM 30 O SER A 3 6.958 16.778 -8.437 1.00 0.00 O ATOM 31 CB SER A 3 6.057 19.321 -10.186 1.00 0.00 C ATOM 32 OG SER A 3 5.533 20.627 -10.352 1.00 0.00 O ATOM 0 H SER A 3 7.261 19.361 -7.782 1.00 0.00 H new ATOM 0 HA SER A 3 4.514 18.842 -8.763 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.146 19.357 -10.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.741 18.690 -11.017 1.00 0.00 H new ATOM 0 HG SER A 3 5.847 21.000 -11.202 1.00 0.00 H new ATOM 38 N SER A 4 4.927 16.420 -9.339 1.00 0.00 N ATOM 39 CA SER A 4 5.081 14.969 -9.393 1.00 0.00 C ATOM 40 C SER A 4 5.000 14.466 -10.831 1.00 0.00 C ATOM 41 O SER A 4 3.918 14.388 -11.412 1.00 0.00 O ATOM 42 CB SER A 4 4.003 14.290 -8.545 1.00 0.00 C ATOM 43 OG SER A 4 4.274 14.438 -7.161 1.00 0.00 O ATOM 0 H SER A 4 4.034 16.762 -9.694 1.00 0.00 H new ATOM 0 HA SER A 4 6.063 14.718 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.029 14.721 -8.776 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.951 13.231 -8.797 1.00 0.00 H new ATOM 0 HG SER A 4 3.915 13.668 -6.673 1.00 0.00 H new ATOM 49 N HIS A 5 6.152 14.124 -11.402 1.00 0.00 N ATOM 50 CA HIS A 5 6.205 13.630 -12.773 1.00 0.00 C ATOM 51 C HIS A 5 7.493 12.853 -13.030 1.00 0.00 C ATOM 52 O HIS A 5 8.542 13.159 -12.462 1.00 0.00 O ATOM 53 CB HIS A 5 6.089 14.793 -13.759 1.00 0.00 C ATOM 54 CG HIS A 5 4.702 14.990 -14.285 1.00 0.00 C ATOM 55 ND1 HIS A 5 3.810 15.890 -13.742 1.00 0.00 N ATOM 56 CD2 HIS A 5 4.051 14.394 -15.312 1.00 0.00 C ATOM 57 CE1 HIS A 5 2.671 15.839 -14.410 1.00 0.00 C ATOM 58 NE2 HIS A 5 2.792 14.939 -15.368 1.00 0.00 N ATOM 0 H HIS A 5 7.058 14.180 -10.937 1.00 0.00 H new ATOM 0 HA HIS A 5 5.364 12.952 -12.919 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.417 15.709 -13.269 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.766 14.619 -14.596 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.448 13.632 -15.966 1.00 0.00 H new ATOM 0 HE1 HIS A 5 1.792 16.432 -14.207 1.00 0.00 H new ATOM 0 HE2 HIS A 5 2.067 14.689 -16.041 1.00 0.00 H new ATOM 67 N HIS A 6 7.403 11.846 -13.892 1.00 0.00 N ATOM 68 CA HIS A 6 8.559 11.022 -14.231 1.00 0.00 C ATOM 69 C HIS A 6 8.452 10.447 -15.647 1.00 0.00 C ATOM 70 O HIS A 6 9.445 9.986 -16.208 1.00 0.00 O ATOM 71 CB HIS A 6 8.726 9.889 -13.213 1.00 0.00 C ATOM 72 CG HIS A 6 7.568 8.938 -13.157 1.00 0.00 C ATOM 73 ND1 HIS A 6 7.640 7.707 -12.541 1.00 0.00 N ATOM 74 CD2 HIS A 6 6.304 9.041 -13.635 1.00 0.00 C ATOM 75 CE1 HIS A 6 6.475 7.093 -12.643 1.00 0.00 C ATOM 76 NE2 HIS A 6 5.648 7.881 -13.301 1.00 0.00 N ATOM 0 H HIS A 6 6.542 11.580 -14.369 1.00 0.00 H new ATOM 0 HA HIS A 6 9.439 11.665 -14.199 1.00 0.00 H new ATOM 0 HB2 HIS A 6 9.630 9.330 -13.454 1.00 0.00 H new ATOM 0 HB3 HIS A 6 8.874 10.323 -12.224 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.890 9.878 -14.177 1.00 0.00 H new ATOM 0 HE1 HIS A 6 6.240 6.113 -12.254 1.00 0.00 H new ATOM 0 HE2 HIS A 6 4.677 7.664 -13.526 1.00 0.00 H new ATOM 85 N HIS A 7 7.249 10.478 -16.222 1.00 0.00 N ATOM 86 CA HIS A 7 7.029 9.960 -17.568 1.00 0.00 C ATOM 87 C HIS A 7 7.386 8.477 -17.652 1.00 0.00 C ATOM 88 O HIS A 7 6.513 7.615 -17.555 1.00 0.00 O ATOM 89 CB HIS A 7 7.846 10.764 -18.583 1.00 0.00 C ATOM 90 CG HIS A 7 7.077 11.882 -19.217 1.00 0.00 C ATOM 91 ND1 HIS A 7 7.228 13.202 -18.852 1.00 0.00 N ATOM 92 CD2 HIS A 7 6.144 11.871 -20.200 1.00 0.00 C ATOM 93 CE1 HIS A 7 6.423 13.957 -19.579 1.00 0.00 C ATOM 94 NE2 HIS A 7 5.754 13.173 -20.405 1.00 0.00 N ATOM 0 H HIS A 7 6.414 10.857 -15.775 1.00 0.00 H new ATOM 0 HA HIS A 7 5.970 10.064 -17.804 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.725 11.174 -18.086 1.00 0.00 H new ATOM 0 HB3 HIS A 7 8.205 10.092 -19.363 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.776 11.002 -20.724 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.328 15.031 -19.510 1.00 0.00 H new ATOM 0 HE2 HIS A 7 5.060 13.484 -21.085 1.00 0.00 H new ATOM 103 N HIS A 8 8.672 8.185 -17.830 1.00 0.00 N ATOM 104 CA HIS A 8 9.136 6.806 -17.923 1.00 0.00 C ATOM 105 C HIS A 8 10.086 6.477 -16.775 1.00 0.00 C ATOM 106 O HIS A 8 10.243 7.264 -15.843 1.00 0.00 O ATOM 107 CB HIS A 8 9.830 6.568 -19.267 1.00 0.00 C ATOM 108 CG HIS A 8 9.322 5.365 -20.001 1.00 0.00 C ATOM 109 ND1 HIS A 8 8.133 4.740 -19.691 1.00 0.00 N ATOM 110 CD2 HIS A 8 9.849 4.670 -21.038 1.00 0.00 C ATOM 111 CE1 HIS A 8 7.948 3.714 -20.502 1.00 0.00 C ATOM 112 NE2 HIS A 8 8.974 3.650 -21.330 1.00 0.00 N ATOM 0 H HIS A 8 9.409 8.885 -17.912 1.00 0.00 H new ATOM 0 HA HIS A 8 8.270 6.148 -17.852 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.698 7.449 -19.895 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.901 6.455 -19.098 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.782 4.878 -21.541 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.102 3.043 -20.490 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.098 2.956 -22.067 1.00 0.00 H new ATOM 121 N HIS A 9 10.715 5.308 -16.851 1.00 0.00 N ATOM 122 CA HIS A 9 11.648 4.878 -15.816 1.00 0.00 C ATOM 123 C HIS A 9 12.978 5.615 -15.944 1.00 0.00 C ATOM 124 O HIS A 9 13.163 6.427 -16.852 1.00 0.00 O ATOM 125 CB HIS A 9 11.875 3.368 -15.899 1.00 0.00 C ATOM 126 CG HIS A 9 10.711 2.562 -15.409 1.00 0.00 C ATOM 127 ND1 HIS A 9 10.642 1.190 -15.521 1.00 0.00 N ATOM 128 CD2 HIS A 9 9.563 2.944 -14.799 1.00 0.00 C ATOM 129 CE1 HIS A 9 9.504 0.761 -15.005 1.00 0.00 C ATOM 130 NE2 HIS A 9 8.832 1.806 -14.559 1.00 0.00 N ATOM 0 H HIS A 9 10.596 4.644 -17.616 1.00 0.00 H new ATOM 0 HA HIS A 9 11.213 5.118 -14.846 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.085 3.096 -16.933 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.758 3.108 -15.315 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.276 3.955 -14.548 1.00 0.00 H new ATOM 0 HE1 HIS A 9 9.179 -0.268 -14.956 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.917 1.774 -14.109 1.00 0.00 H new ATOM 139 N HIS A 10 13.900 5.330 -15.030 1.00 0.00 N ATOM 140 CA HIS A 10 15.211 5.971 -15.042 1.00 0.00 C ATOM 141 C HIS A 10 15.947 5.683 -16.348 1.00 0.00 C ATOM 142 O HIS A 10 16.035 6.544 -17.223 1.00 0.00 O ATOM 143 CB HIS A 10 16.047 5.497 -13.850 1.00 0.00 C ATOM 144 CG HIS A 10 15.332 5.599 -12.540 1.00 0.00 C ATOM 145 ND1 HIS A 10 14.355 6.538 -12.284 1.00 0.00 N ATOM 146 CD2 HIS A 10 15.456 4.871 -11.404 1.00 0.00 C ATOM 147 CE1 HIS A 10 13.909 6.385 -11.050 1.00 0.00 C ATOM 148 NE2 HIS A 10 14.560 5.379 -10.495 1.00 0.00 N ATOM 0 H HIS A 10 13.764 4.660 -14.273 1.00 0.00 H new ATOM 0 HA HIS A 10 15.062 7.048 -14.963 1.00 0.00 H new ATOM 0 HB2 HIS A 10 16.343 4.461 -14.013 1.00 0.00 H new ATOM 0 HB3 HIS A 10 16.963 6.086 -13.802 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.133 4.045 -11.243 1.00 0.00 H new ATOM 0 HE1 HIS A 10 13.143 6.981 -10.576 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.420 5.035 -9.545 1.00 0.00 H new ATOM 157 N HIS A 11 16.473 4.468 -16.471 1.00 0.00 N ATOM 158 CA HIS A 11 17.201 4.065 -17.671 1.00 0.00 C ATOM 159 C HIS A 11 17.710 2.631 -17.541 1.00 0.00 C ATOM 160 O HIS A 11 18.790 2.298 -18.027 1.00 0.00 O ATOM 161 CB HIS A 11 18.375 5.015 -17.927 1.00 0.00 C ATOM 162 CG HIS A 11 18.455 5.502 -19.341 1.00 0.00 C ATOM 163 ND1 HIS A 11 19.484 6.292 -19.808 1.00 0.00 N ATOM 164 CD2 HIS A 11 17.627 5.307 -20.395 1.00 0.00 C ATOM 165 CE1 HIS A 11 19.287 6.563 -21.085 1.00 0.00 C ATOM 166 NE2 HIS A 11 18.168 5.977 -21.466 1.00 0.00 N ATOM 0 H HIS A 11 16.409 3.745 -15.755 1.00 0.00 H new ATOM 0 HA HIS A 11 16.514 4.114 -18.516 1.00 0.00 H new ATOM 0 HB2 HIS A 11 18.289 5.873 -17.260 1.00 0.00 H new ATOM 0 HB3 HIS A 11 19.305 4.506 -17.674 1.00 0.00 H new ATOM 0 HD2 HIS A 11 16.713 4.732 -20.394 1.00 0.00 H new ATOM 0 HE1 HIS A 11 19.932 7.162 -21.711 1.00 0.00 H new ATOM 0 HE2 HIS A 11 17.769 6.015 -22.404 1.00 0.00 H new ATOM 175 N HIS A 12 16.921 1.787 -16.882 1.00 0.00 N ATOM 176 CA HIS A 12 17.289 0.389 -16.687 1.00 0.00 C ATOM 177 C HIS A 12 16.270 -0.537 -17.344 1.00 0.00 C ATOM 178 O HIS A 12 16.630 -1.571 -17.907 1.00 0.00 O ATOM 179 CB HIS A 12 17.391 0.070 -15.194 1.00 0.00 C ATOM 180 CG HIS A 12 18.547 0.737 -14.515 1.00 0.00 C ATOM 181 ND1 HIS A 12 19.589 0.039 -13.942 1.00 0.00 N ATOM 182 CD2 HIS A 12 18.823 2.049 -14.313 1.00 0.00 C ATOM 183 CE1 HIS A 12 20.454 0.888 -13.417 1.00 0.00 C ATOM 184 NE2 HIS A 12 20.013 2.114 -13.631 1.00 0.00 N ATOM 0 H HIS A 12 16.023 2.047 -16.474 1.00 0.00 H new ATOM 0 HA HIS A 12 18.260 0.226 -17.155 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.467 0.374 -14.702 1.00 0.00 H new ATOM 0 HB3 HIS A 12 17.479 -1.009 -15.067 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.219 2.887 -14.630 1.00 0.00 H new ATOM 0 HE1 HIS A 12 21.366 0.625 -12.901 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.481 2.971 -13.337 1.00 0.00 H new ATOM 193 N GLU A 13 14.998 -0.159 -17.266 1.00 0.00 N ATOM 194 CA GLU A 13 13.925 -0.954 -17.851 1.00 0.00 C ATOM 195 C GLU A 13 13.774 -2.285 -17.122 1.00 0.00 C ATOM 196 O GLU A 13 13.478 -3.310 -17.736 1.00 0.00 O ATOM 197 CB GLU A 13 14.189 -1.203 -19.337 1.00 0.00 C ATOM 198 CG GLU A 13 12.989 -1.763 -20.083 1.00 0.00 C ATOM 199 CD GLU A 13 12.819 -1.147 -21.458 1.00 0.00 C ATOM 200 OE1 GLU A 13 13.828 -1.032 -22.186 1.00 0.00 O ATOM 201 OE2 GLU A 13 11.678 -0.778 -21.805 1.00 0.00 O ATOM 0 H GLU A 13 14.685 0.694 -16.803 1.00 0.00 H new ATOM 0 HA GLU A 13 12.997 -0.392 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.493 -0.267 -19.805 1.00 0.00 H new ATOM 0 HB3 GLU A 13 15.025 -1.896 -19.438 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.100 -2.843 -20.184 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.087 -1.588 -19.496 1.00 0.00 H new ATOM 208 N ASN A 14 13.984 -2.264 -15.810 1.00 0.00 N ATOM 209 CA ASN A 14 13.870 -3.471 -15.002 1.00 0.00 C ATOM 210 C ASN A 14 12.412 -3.753 -14.653 1.00 0.00 C ATOM 211 O ASN A 14 11.621 -2.832 -14.450 1.00 0.00 O ATOM 212 CB ASN A 14 14.706 -3.340 -13.726 1.00 0.00 C ATOM 213 CG ASN A 14 15.834 -4.353 -13.666 1.00 0.00 C ATOM 214 OD1 ASN A 14 16.956 -4.027 -13.283 1.00 0.00 O ATOM 215 ND2 ASN A 14 15.539 -5.591 -14.046 1.00 0.00 N ATOM 0 H ASN A 14 14.234 -1.426 -15.285 1.00 0.00 H new ATOM 0 HA ASN A 14 14.251 -4.309 -15.585 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.122 -2.334 -13.669 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.060 -3.468 -12.857 1.00 0.00 H new ATOM 0 HD21 ASN A 14 16.257 -6.315 -14.027 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.594 -5.818 -14.357 1.00 0.00 H new ATOM 222 N LEU A 15 12.066 -5.033 -14.584 1.00 0.00 N ATOM 223 CA LEU A 15 10.705 -5.446 -14.261 1.00 0.00 C ATOM 224 C LEU A 15 10.623 -6.031 -12.851 1.00 0.00 C ATOM 225 O LEU A 15 9.533 -6.217 -12.312 1.00 0.00 O ATOM 226 CB LEU A 15 10.202 -6.470 -15.286 1.00 0.00 C ATOM 227 CG LEU A 15 10.951 -7.807 -15.296 1.00 0.00 C ATOM 228 CD1 LEU A 15 10.110 -8.883 -15.964 1.00 0.00 C ATOM 229 CD2 LEU A 15 12.292 -7.665 -16.002 1.00 0.00 C ATOM 0 H LEU A 15 12.712 -5.806 -14.748 1.00 0.00 H new ATOM 0 HA LEU A 15 10.069 -4.562 -14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.147 -6.665 -15.093 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.268 -6.028 -16.280 1.00 0.00 H new ATOM 0 HG LEU A 15 11.136 -8.104 -14.264 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.657 -9.826 -15.962 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.175 -9.005 -15.418 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.894 -8.590 -16.992 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.808 -8.625 -15.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.129 -7.344 -17.031 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.900 -6.924 -15.483 1.00 0.00 H new ATOM 241 N TYR A 16 11.779 -6.320 -12.256 1.00 0.00 N ATOM 242 CA TYR A 16 11.824 -6.880 -10.911 1.00 0.00 C ATOM 243 C TYR A 16 12.184 -5.811 -9.883 1.00 0.00 C ATOM 244 O TYR A 16 13.355 -5.621 -9.555 1.00 0.00 O ATOM 245 CB TYR A 16 12.837 -8.027 -10.847 1.00 0.00 C ATOM 246 CG TYR A 16 12.867 -8.742 -9.513 1.00 0.00 C ATOM 247 CD1 TYR A 16 11.703 -8.934 -8.779 1.00 0.00 C ATOM 248 CD2 TYR A 16 14.060 -9.226 -8.989 1.00 0.00 C ATOM 249 CE1 TYR A 16 11.728 -9.587 -7.561 1.00 0.00 C ATOM 250 CE2 TYR A 16 14.093 -9.880 -7.772 1.00 0.00 C ATOM 251 CZ TYR A 16 12.924 -10.058 -7.062 1.00 0.00 C ATOM 252 OH TYR A 16 12.952 -10.708 -5.849 1.00 0.00 O ATOM 0 H TYR A 16 12.693 -6.175 -12.684 1.00 0.00 H new ATOM 0 HA TYR A 16 10.832 -7.264 -10.674 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.605 -8.749 -11.630 1.00 0.00 H new ATOM 0 HB3 TYR A 16 13.831 -7.634 -11.060 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.764 -8.567 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 16 14.977 -9.089 -9.543 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.814 -9.728 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 16 15.029 -10.250 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 16 13.872 -10.977 -5.643 1.00 0.00 H new ATOM 262 N PHE A 17 11.167 -5.118 -9.378 1.00 0.00 N ATOM 263 CA PHE A 17 11.372 -4.067 -8.385 1.00 0.00 C ATOM 264 C PHE A 17 10.194 -4.004 -7.416 1.00 0.00 C ATOM 265 O PHE A 17 9.065 -4.334 -7.776 1.00 0.00 O ATOM 266 CB PHE A 17 11.553 -2.711 -9.075 1.00 0.00 C ATOM 267 CG PHE A 17 12.871 -2.052 -8.775 1.00 0.00 C ATOM 268 CD1 PHE A 17 14.058 -2.620 -9.205 1.00 0.00 C ATOM 269 CD2 PHE A 17 12.920 -0.861 -8.067 1.00 0.00 C ATOM 270 CE1 PHE A 17 15.271 -2.015 -8.934 1.00 0.00 C ATOM 271 CE2 PHE A 17 14.129 -0.252 -7.793 1.00 0.00 C ATOM 272 CZ PHE A 17 15.306 -0.829 -8.228 1.00 0.00 C ATOM 0 H PHE A 17 10.192 -5.265 -9.640 1.00 0.00 H new ATOM 0 HA PHE A 17 12.275 -4.302 -7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 17 11.461 -2.846 -10.153 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.746 -2.046 -8.768 1.00 0.00 H new ATOM 0 HD1 PHE A 17 14.036 -3.547 -9.759 1.00 0.00 H new ATOM 0 HD2 PHE A 17 12.003 -0.404 -7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 17 16.190 -2.469 -9.274 1.00 0.00 H new ATOM 0 HE2 PHE A 17 14.154 0.675 -7.239 1.00 0.00 H new ATOM 0 HZ PHE A 17 16.252 -0.353 -8.016 1.00 0.00 H new ATOM 282 N GLN A 18 10.464 -3.568 -6.188 1.00 0.00 N ATOM 283 CA GLN A 18 9.421 -3.453 -5.173 1.00 0.00 C ATOM 284 C GLN A 18 8.691 -2.115 -5.301 1.00 0.00 C ATOM 285 O GLN A 18 8.563 -1.368 -4.331 1.00 0.00 O ATOM 286 CB GLN A 18 10.025 -3.602 -3.771 1.00 0.00 C ATOM 287 CG GLN A 18 9.498 -4.807 -3.009 1.00 0.00 C ATOM 288 CD GLN A 18 10.037 -4.882 -1.594 1.00 0.00 C ATOM 289 OE1 GLN A 18 11.250 -4.923 -1.380 1.00 0.00 O ATOM 290 NE2 GLN A 18 9.138 -4.899 -0.617 1.00 0.00 N ATOM 0 H GLN A 18 11.393 -3.289 -5.873 1.00 0.00 H new ATOM 0 HA GLN A 18 8.698 -4.254 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.109 -3.682 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.817 -2.699 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.409 -4.765 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.766 -5.717 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.143 -4.863 -0.839 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.442 -4.948 0.355 1.00 0.00 H new ATOM 299 N GLY A 19 8.217 -1.820 -6.508 1.00 0.00 N ATOM 300 CA GLY A 19 7.510 -0.576 -6.744 1.00 0.00 C ATOM 301 C GLY A 19 6.047 -0.657 -6.355 1.00 0.00 C ATOM 302 O GLY A 19 5.164 -0.595 -7.211 1.00 0.00 O ATOM 0 H GLY A 19 8.311 -2.421 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.989 0.223 -6.179 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.588 -0.312 -7.799 1.00 0.00 H new ATOM 306 N SER A 20 5.795 -0.797 -5.061 1.00 0.00 N ATOM 307 CA SER A 20 4.433 -0.887 -4.550 1.00 0.00 C ATOM 308 C SER A 20 4.440 -0.991 -3.031 1.00 0.00 C ATOM 309 O SER A 20 5.501 -1.035 -2.407 1.00 0.00 O ATOM 310 CB SER A 20 3.716 -2.097 -5.153 1.00 0.00 C ATOM 311 OG SER A 20 4.643 -3.035 -5.670 1.00 0.00 O ATOM 0 H SER A 20 6.518 -0.851 -4.343 1.00 0.00 H new ATOM 0 HA SER A 20 3.899 0.018 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.098 -2.574 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.046 -1.768 -5.947 1.00 0.00 H new ATOM 0 HG SER A 20 4.159 -3.799 -6.048 1.00 0.00 H new ATOM 317 N LYS A 21 3.254 -1.033 -2.440 1.00 0.00 N ATOM 318 CA LYS A 21 3.131 -1.136 -0.996 1.00 0.00 C ATOM 319 C LYS A 21 1.710 -1.532 -0.605 1.00 0.00 C ATOM 320 O LYS A 21 1.453 -2.687 -0.266 1.00 0.00 O ATOM 321 CB LYS A 21 3.532 0.184 -0.330 1.00 0.00 C ATOM 322 CG LYS A 21 3.801 0.060 1.163 1.00 0.00 C ATOM 323 CD LYS A 21 5.207 -0.453 1.439 1.00 0.00 C ATOM 324 CE LYS A 21 5.276 -1.970 1.368 1.00 0.00 C ATOM 325 NZ LYS A 21 5.607 -2.577 2.687 1.00 0.00 N ATOM 0 H LYS A 21 2.365 -0.997 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 21 3.808 -1.915 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.425 0.571 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.740 0.916 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.668 1.031 1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.072 -0.616 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.900 -0.023 0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.529 -0.120 2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.320 -2.360 1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.027 -2.265 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.644 -3.612 2.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.531 -2.225 3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.877 -2.318 3.381 1.00 0.00 H new ATOM 339 N ARG A 22 0.787 -0.575 -0.650 1.00 0.00 N ATOM 340 CA ARG A 22 -0.601 -0.843 -0.295 1.00 0.00 C ATOM 341 C ARG A 22 -1.528 -0.597 -1.483 1.00 0.00 C ATOM 342 O ARG A 22 -1.259 0.256 -2.329 1.00 0.00 O ATOM 343 CB ARG A 22 -1.026 0.029 0.891 1.00 0.00 C ATOM 344 CG ARG A 22 0.018 0.118 1.995 1.00 0.00 C ATOM 345 CD ARG A 22 0.055 1.504 2.617 1.00 0.00 C ATOM 346 NE ARG A 22 1.383 1.833 3.134 1.00 0.00 N ATOM 347 CZ ARG A 22 1.602 2.522 4.254 1.00 0.00 C ATOM 348 NH1 ARG A 22 0.587 2.973 4.979 1.00 0.00 N ATOM 349 NH2 ARG A 22 2.845 2.764 4.650 1.00 0.00 N ATOM 0 H ARG A 22 0.975 0.388 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.679 -1.892 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.246 1.034 0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.950 -0.369 1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.201 -0.622 2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.000 -0.126 1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.239 2.244 1.873 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.674 1.559 3.426 1.00 0.00 H new ATOM 0 HE ARG A 22 2.194 1.515 2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.372 2.794 4.681 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.765 3.499 5.834 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.632 2.423 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.014 3.291 5.507 1.00 0.00 H new ATOM 363 N LYS A 23 -2.620 -1.353 -1.538 1.00 0.00 N ATOM 364 CA LYS A 23 -3.592 -1.224 -2.620 1.00 0.00 C ATOM 365 C LYS A 23 -5.006 -1.109 -2.060 1.00 0.00 C ATOM 366 O LYS A 23 -5.526 -2.052 -1.460 1.00 0.00 O ATOM 367 CB LYS A 23 -3.499 -2.426 -3.565 1.00 0.00 C ATOM 368 CG LYS A 23 -2.840 -2.108 -4.899 1.00 0.00 C ATOM 369 CD LYS A 23 -3.778 -2.376 -6.066 1.00 0.00 C ATOM 370 CE LYS A 23 -3.483 -3.715 -6.726 1.00 0.00 C ATOM 371 NZ LYS A 23 -4.391 -4.789 -6.237 1.00 0.00 N ATOM 0 H LYS A 23 -2.855 -2.063 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.364 -0.316 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.938 -3.221 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.502 -2.811 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.531 -1.063 -4.913 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.937 -2.709 -5.012 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.810 -2.362 -5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.681 -1.578 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.586 -3.617 -7.807 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.449 -3.997 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.958 -5.718 -6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.549 -4.672 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.301 -4.729 -6.737 1.00 0.00 H new ATOM 385 N ILE A 24 -5.623 0.054 -2.246 1.00 0.00 N ATOM 386 CA ILE A 24 -6.973 0.284 -1.750 1.00 0.00 C ATOM 387 C ILE A 24 -7.995 0.185 -2.874 1.00 0.00 C ATOM 388 O ILE A 24 -7.681 0.449 -4.034 1.00 0.00 O ATOM 389 CB ILE A 24 -7.100 1.670 -1.087 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.990 1.875 -0.056 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.466 1.830 -0.437 1.00 0.00 C ATOM 392 CD1 ILE A 24 -5.491 3.301 0.018 1.00 0.00 C ATOM 0 H ILE A 24 -5.210 0.848 -2.735 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.171 -0.489 -1.008 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.997 2.430 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.357 1.576 0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.154 1.218 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.536 2.815 0.025 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.243 1.729 -1.194 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.599 1.061 0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.705 3.373 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.093 3.598 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.315 3.961 0.290 1.00 0.00 H new ATOM 404 N ILE A 25 -9.228 -0.177 -2.524 1.00 0.00 N ATOM 405 CA ILE A 25 -10.302 -0.289 -3.501 1.00 0.00 C ATOM 406 C ILE A 25 -11.509 0.525 -3.046 1.00 0.00 C ATOM 407 O ILE A 25 -11.796 0.603 -1.851 1.00 0.00 O ATOM 408 CB ILE A 25 -10.747 -1.749 -3.736 1.00 0.00 C ATOM 409 CG1 ILE A 25 -9.553 -2.711 -3.592 1.00 0.00 C ATOM 410 CG2 ILE A 25 -11.410 -1.871 -5.103 1.00 0.00 C ATOM 411 CD1 ILE A 25 -9.648 -3.978 -4.423 1.00 0.00 C ATOM 0 H ILE A 25 -9.505 -0.398 -1.568 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.908 0.096 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.478 -2.029 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.642 -2.180 -3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.454 -2.989 -2.543 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.723 -2.903 -5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.281 -1.217 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -10.701 -1.581 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.762 -4.591 -4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -10.537 -4.538 -4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.713 -3.716 -5.479 1.00 0.00 H new ATOM 423 N VAL A 26 -12.228 1.112 -3.995 1.00 0.00 N ATOM 424 CA VAL A 26 -13.416 1.896 -3.668 1.00 0.00 C ATOM 425 C VAL A 26 -14.620 1.385 -4.451 1.00 0.00 C ATOM 426 O VAL A 26 -14.591 1.321 -5.680 1.00 0.00 O ATOM 427 CB VAL A 26 -13.214 3.397 -3.956 1.00 0.00 C ATOM 428 CG1 VAL A 26 -12.907 3.633 -5.426 1.00 0.00 C ATOM 429 CG2 VAL A 26 -14.442 4.189 -3.524 1.00 0.00 C ATOM 0 H VAL A 26 -12.013 1.062 -4.991 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.595 1.779 -2.599 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.358 3.745 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.769 4.700 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.996 3.100 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.736 3.269 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.285 5.247 -3.733 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.315 3.836 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.606 4.051 -2.455 1.00 0.00 H new ATOM 439 N ALA A 27 -15.671 1.005 -3.734 1.00 0.00 N ATOM 440 CA ALA A 27 -16.873 0.482 -4.370 1.00 0.00 C ATOM 441 C ALA A 27 -18.104 1.311 -4.029 1.00 0.00 C ATOM 442 O ALA A 27 -18.408 1.545 -2.860 1.00 0.00 O ATOM 443 CB ALA A 27 -17.085 -0.969 -3.967 1.00 0.00 C ATOM 0 H ALA A 27 -15.715 1.049 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.730 0.541 -5.449 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.986 -1.352 -4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.226 -1.563 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.195 -1.034 -2.885 1.00 0.00 H new ATOM 449 N CYS A 28 -18.805 1.757 -5.068 1.00 0.00 N ATOM 450 CA CYS A 28 -20.008 2.565 -4.891 1.00 0.00 C ATOM 451 C CYS A 28 -20.945 2.428 -6.087 1.00 0.00 C ATOM 452 O CYS A 28 -20.532 2.006 -7.168 1.00 0.00 O ATOM 453 CB CYS A 28 -19.641 4.037 -4.687 1.00 0.00 C ATOM 454 SG CYS A 28 -18.347 4.641 -5.798 1.00 0.00 S ATOM 0 H CYS A 28 -18.561 1.573 -6.041 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.525 2.199 -4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -20.535 4.645 -4.825 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.315 4.179 -3.657 1.00 0.00 H new ATOM 0 HG CYS A 28 -18.111 5.895 -5.548 1.00 0.00 H new ATOM 460 N GLY A 29 -22.208 2.793 -5.885 1.00 0.00 N ATOM 461 CA GLY A 29 -23.184 2.710 -6.956 1.00 0.00 C ATOM 462 C GLY A 29 -23.206 3.960 -7.813 1.00 0.00 C ATOM 463 O GLY A 29 -23.982 4.881 -7.559 1.00 0.00 O ATOM 0 H GLY A 29 -22.572 3.144 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.960 1.847 -7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -24.174 2.547 -6.530 1.00 0.00 H new ATOM 467 N GLY A 30 -22.351 3.991 -8.829 1.00 0.00 N ATOM 468 CA GLY A 30 -22.288 5.142 -9.709 1.00 0.00 C ATOM 469 C GLY A 30 -20.867 5.504 -10.090 1.00 0.00 C ATOM 470 O GLY A 30 -19.912 4.909 -9.590 1.00 0.00 O ATOM 0 H GLY A 30 -21.701 3.240 -9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -22.862 4.936 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -22.758 5.995 -9.220 1.00 0.00 H new ATOM 474 N ALA A 31 -20.727 6.483 -10.977 1.00 0.00 N ATOM 475 CA ALA A 31 -19.413 6.928 -11.428 1.00 0.00 C ATOM 476 C ALA A 31 -19.542 8.047 -12.456 1.00 0.00 C ATOM 477 O ALA A 31 -19.422 7.817 -13.658 1.00 0.00 O ATOM 478 CB ALA A 31 -18.627 5.760 -12.007 1.00 0.00 C ATOM 0 H ALA A 31 -21.509 6.985 -11.399 1.00 0.00 H new ATOM 0 HA ALA A 31 -18.871 7.319 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.649 6.108 -12.339 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.499 4.993 -11.243 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.170 5.341 -12.854 1.00 0.00 H new ATOM 484 N VAL A 32 -19.782 9.263 -11.970 1.00 0.00 N ATOM 485 CA VAL A 32 -19.921 10.429 -12.839 1.00 0.00 C ATOM 486 C VAL A 32 -19.260 11.649 -12.210 1.00 0.00 C ATOM 487 O VAL A 32 -18.587 12.425 -12.888 1.00 0.00 O ATOM 488 CB VAL A 32 -21.398 10.773 -13.126 1.00 0.00 C ATOM 489 CG1 VAL A 32 -21.491 11.791 -14.252 1.00 0.00 C ATOM 490 CG2 VAL A 32 -22.207 9.526 -13.460 1.00 0.00 C ATOM 0 H VAL A 32 -19.884 9.467 -10.976 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.432 10.171 -13.778 1.00 0.00 H new ATOM 0 HB VAL A 32 -21.824 11.208 -12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -22.538 12.025 -14.445 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -20.962 12.700 -13.965 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -21.039 11.378 -15.154 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -23.242 9.806 -13.656 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -21.787 9.046 -14.344 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -22.172 8.833 -12.619 1.00 0.00 H new ATOM 500 N ALA A 33 -19.465 11.812 -10.908 1.00 0.00 N ATOM 501 CA ALA A 33 -18.899 12.938 -10.177 1.00 0.00 C ATOM 502 C ALA A 33 -18.414 12.510 -8.796 1.00 0.00 C ATOM 503 O ALA A 33 -17.341 12.919 -8.355 1.00 0.00 O ATOM 504 CB ALA A 33 -19.929 14.051 -10.055 1.00 0.00 C ATOM 0 H ALA A 33 -20.021 11.176 -10.336 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.039 13.309 -10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -19.497 14.888 -9.507 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.226 14.383 -11.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -20.804 13.680 -9.520 1.00 0.00 H new ATOM 510 N THR A 34 -19.208 11.681 -8.123 1.00 0.00 N ATOM 511 CA THR A 34 -18.860 11.196 -6.789 1.00 0.00 C ATOM 512 C THR A 34 -17.602 10.335 -6.828 1.00 0.00 C ATOM 513 O THR A 34 -16.618 10.628 -6.152 1.00 0.00 O ATOM 514 CB THR A 34 -20.022 10.401 -6.191 1.00 0.00 C ATOM 515 OG1 THR A 34 -21.157 10.449 -7.039 1.00 0.00 O ATOM 516 CG2 THR A 34 -20.445 10.907 -4.830 1.00 0.00 C ATOM 0 H THR A 34 -20.097 11.331 -8.479 1.00 0.00 H new ATOM 0 HA THR A 34 -18.661 12.063 -6.159 1.00 0.00 H new ATOM 0 HB THR A 34 -19.653 9.380 -6.088 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.887 9.933 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.273 10.303 -4.458 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.605 10.837 -4.139 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.762 11.947 -4.911 1.00 0.00 H new ATOM 524 N SER A 35 -17.641 9.272 -7.625 1.00 0.00 N ATOM 525 CA SER A 35 -16.500 8.369 -7.751 1.00 0.00 C ATOM 526 C SER A 35 -15.219 9.148 -8.028 1.00 0.00 C ATOM 527 O SER A 35 -14.154 8.822 -7.501 1.00 0.00 O ATOM 528 CB SER A 35 -16.746 7.355 -8.868 1.00 0.00 C ATOM 529 OG SER A 35 -15.552 6.672 -9.208 1.00 0.00 O ATOM 0 H SER A 35 -18.448 9.014 -8.193 1.00 0.00 H new ATOM 0 HA SER A 35 -16.383 7.837 -6.807 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.502 6.637 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.140 7.866 -9.747 1.00 0.00 H new ATOM 0 HG SER A 35 -15.736 6.028 -9.923 1.00 0.00 H new ATOM 535 N THR A 36 -15.332 10.183 -8.853 1.00 0.00 N ATOM 536 CA THR A 36 -14.184 11.012 -9.197 1.00 0.00 C ATOM 537 C THR A 36 -13.742 11.849 -7.998 1.00 0.00 C ATOM 538 O THR A 36 -12.560 12.153 -7.847 1.00 0.00 O ATOM 539 CB THR A 36 -14.516 11.920 -10.384 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.705 11.495 -11.027 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.421 11.958 -11.429 1.00 0.00 C ATOM 0 H THR A 36 -16.206 10.467 -9.295 1.00 0.00 H new ATOM 0 HA THR A 36 -13.362 10.354 -9.479 1.00 0.00 H new ATOM 0 HB THR A 36 -14.632 12.918 -9.960 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.900 12.090 -11.781 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.718 12.619 -12.243 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.500 12.329 -10.978 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.255 10.954 -11.819 1.00 0.00 H new ATOM 549 N MET A 37 -14.694 12.212 -7.141 1.00 0.00 N ATOM 550 CA MET A 37 -14.388 13.008 -5.955 1.00 0.00 C ATOM 551 C MET A 37 -13.363 12.295 -5.082 1.00 0.00 C ATOM 552 O MET A 37 -12.324 12.858 -4.740 1.00 0.00 O ATOM 553 CB MET A 37 -15.652 13.275 -5.134 1.00 0.00 C ATOM 554 CG MET A 37 -16.692 14.111 -5.858 1.00 0.00 C ATOM 555 SD MET A 37 -17.646 15.151 -4.737 1.00 0.00 S ATOM 556 CE MET A 37 -16.911 16.753 -5.053 1.00 0.00 C ATOM 0 H MET A 37 -15.679 11.969 -7.245 1.00 0.00 H new ATOM 0 HA MET A 37 -13.977 13.959 -6.293 1.00 0.00 H new ATOM 0 HB2 MET A 37 -16.099 12.321 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.373 13.781 -4.210 1.00 0.00 H new ATOM 0 HG2 MET A 37 -16.197 14.739 -6.598 1.00 0.00 H new ATOM 0 HG3 MET A 37 -17.369 13.452 -6.401 1.00 0.00 H new ATOM 0 HE1 MET A 37 -17.397 17.505 -4.431 1.00 0.00 H new ATOM 0 HE2 MET A 37 -15.848 16.718 -4.816 1.00 0.00 H new ATOM 0 HE3 MET A 37 -17.041 17.012 -6.104 1.00 0.00 H new ATOM 566 N ALA A 38 -13.666 11.052 -4.724 1.00 0.00 N ATOM 567 CA ALA A 38 -12.777 10.259 -3.889 1.00 0.00 C ATOM 568 C ALA A 38 -11.435 10.037 -4.578 1.00 0.00 C ATOM 569 O ALA A 38 -10.387 10.407 -4.052 1.00 0.00 O ATOM 570 CB ALA A 38 -13.427 8.923 -3.556 1.00 0.00 C ATOM 0 H ALA A 38 -14.523 10.573 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.596 10.807 -2.964 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.754 8.337 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.361 9.096 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.632 8.379 -4.478 1.00 0.00 H new ATOM 576 N ALA A 39 -11.477 9.431 -5.758 1.00 0.00 N ATOM 577 CA ALA A 39 -10.265 9.156 -6.520 1.00 0.00 C ATOM 578 C ALA A 39 -9.412 10.411 -6.686 1.00 0.00 C ATOM 579 O ALA A 39 -8.246 10.434 -6.290 1.00 0.00 O ATOM 580 CB ALA A 39 -10.624 8.572 -7.877 1.00 0.00 C ATOM 0 H ALA A 39 -12.338 9.120 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.674 8.428 -5.964 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.712 8.370 -8.439 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.178 7.644 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.240 9.283 -8.428 1.00 0.00 H new ATOM 586 N GLU A 40 -9.996 11.451 -7.273 1.00 0.00 N ATOM 587 CA GLU A 40 -9.279 12.704 -7.488 1.00 0.00 C ATOM 588 C GLU A 40 -8.752 13.273 -6.171 1.00 0.00 C ATOM 589 O GLU A 40 -7.667 13.850 -6.131 1.00 0.00 O ATOM 590 CB GLU A 40 -10.183 13.733 -8.175 1.00 0.00 C ATOM 591 CG GLU A 40 -9.429 14.693 -9.081 1.00 0.00 C ATOM 592 CD GLU A 40 -9.884 16.132 -8.919 1.00 0.00 C ATOM 593 OE1 GLU A 40 -11.076 16.411 -9.163 1.00 0.00 O ATOM 594 OE2 GLU A 40 -9.044 16.980 -8.548 1.00 0.00 O ATOM 0 H GLU A 40 -10.960 11.452 -7.607 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.429 12.490 -8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.937 13.208 -8.762 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.713 14.305 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.363 14.627 -8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.564 14.388 -10.119 1.00 0.00 H new ATOM 601 N GLU A 41 -9.527 13.112 -5.100 1.00 0.00 N ATOM 602 CA GLU A 41 -9.135 13.620 -3.785 1.00 0.00 C ATOM 603 C GLU A 41 -8.009 12.788 -3.180 1.00 0.00 C ATOM 604 O GLU A 41 -6.970 13.323 -2.794 1.00 0.00 O ATOM 605 CB GLU A 41 -10.331 13.620 -2.831 1.00 0.00 C ATOM 606 CG GLU A 41 -11.186 14.871 -2.920 1.00 0.00 C ATOM 607 CD GLU A 41 -12.299 14.887 -1.890 1.00 0.00 C ATOM 608 OE1 GLU A 41 -12.022 14.579 -0.712 1.00 0.00 O ATOM 609 OE2 GLU A 41 -13.448 15.204 -2.264 1.00 0.00 O ATOM 0 H GLU A 41 -10.428 12.635 -5.116 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.779 14.641 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.953 12.750 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.968 13.511 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.555 15.749 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.618 14.942 -3.918 1.00 0.00 H new ATOM 616 N ILE A 42 -8.220 11.478 -3.101 1.00 0.00 N ATOM 617 CA ILE A 42 -7.220 10.574 -2.545 1.00 0.00 C ATOM 618 C ILE A 42 -5.929 10.634 -3.351 1.00 0.00 C ATOM 619 O ILE A 42 -4.835 10.502 -2.804 1.00 0.00 O ATOM 620 CB ILE A 42 -7.733 9.118 -2.523 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.040 9.022 -1.731 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.683 8.183 -1.933 1.00 0.00 C ATOM 623 CD1 ILE A 42 -8.873 9.295 -0.252 1.00 0.00 C ATOM 0 H ILE A 42 -9.075 11.019 -3.415 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.026 10.898 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.926 8.810 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.758 9.730 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.463 8.026 -1.863 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.066 7.163 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.776 8.227 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.455 8.490 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.839 9.209 0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.180 8.571 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -8.480 10.302 -0.110 1.00 0.00 H new ATOM 635 N LYS A 43 -6.068 10.827 -4.657 1.00 0.00 N ATOM 636 CA LYS A 43 -4.917 10.899 -5.545 1.00 0.00 C ATOM 637 C LYS A 43 -4.011 12.072 -5.181 1.00 0.00 C ATOM 638 O LYS A 43 -2.836 11.884 -4.869 1.00 0.00 O ATOM 639 CB LYS A 43 -5.381 11.022 -6.996 1.00 0.00 C ATOM 640 CG LYS A 43 -4.284 10.747 -8.008 1.00 0.00 C ATOM 641 CD LYS A 43 -4.520 11.500 -9.308 1.00 0.00 C ATOM 642 CE LYS A 43 -4.417 10.578 -10.513 1.00 0.00 C ATOM 643 NZ LYS A 43 -3.033 10.060 -10.698 1.00 0.00 N ATOM 0 H LYS A 43 -6.968 10.936 -5.124 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.342 9.980 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.204 10.327 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.772 12.026 -7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.320 11.037 -7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.235 9.677 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.506 11.964 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.791 12.305 -9.401 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.105 9.741 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.726 11.116 -11.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.004 9.436 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.380 10.857 -10.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.747 9.525 -9.853 1.00 0.00 H new ATOM 657 N GLU A 44 -4.562 13.284 -5.216 1.00 0.00 N ATOM 658 CA GLU A 44 -3.789 14.478 -4.881 1.00 0.00 C ATOM 659 C GLU A 44 -3.143 14.329 -3.507 1.00 0.00 C ATOM 660 O GLU A 44 -2.041 14.823 -3.268 1.00 0.00 O ATOM 661 CB GLU A 44 -4.679 15.724 -4.907 1.00 0.00 C ATOM 662 CG GLU A 44 -5.995 15.551 -4.167 1.00 0.00 C ATOM 663 CD GLU A 44 -6.863 16.794 -4.220 1.00 0.00 C ATOM 664 OE1 GLU A 44 -6.679 17.682 -3.363 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.727 16.876 -5.119 1.00 0.00 O ATOM 0 H GLU A 44 -5.533 13.464 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.004 14.594 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.133 16.559 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.887 15.989 -5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.542 14.712 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.792 15.299 -3.126 1.00 0.00 H new ATOM 672 N LEU A 45 -3.838 13.637 -2.613 1.00 0.00 N ATOM 673 CA LEU A 45 -3.345 13.406 -1.260 1.00 0.00 C ATOM 674 C LEU A 45 -2.135 12.475 -1.275 1.00 0.00 C ATOM 675 O LEU A 45 -1.082 12.798 -0.724 1.00 0.00 O ATOM 676 CB LEU A 45 -4.457 12.801 -0.399 1.00 0.00 C ATOM 677 CG LEU A 45 -4.727 13.516 0.926 1.00 0.00 C ATOM 678 CD1 LEU A 45 -4.892 15.015 0.707 1.00 0.00 C ATOM 679 CD2 LEU A 45 -5.960 12.930 1.593 1.00 0.00 C ATOM 0 H LEU A 45 -4.751 13.223 -2.802 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.038 14.362 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.379 12.791 -0.981 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.204 11.762 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.871 13.366 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.083 15.503 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.981 15.421 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.730 15.194 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.144 13.446 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.822 13.054 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.800 11.869 1.785 1.00 0.00 H new ATOM 691 N CYS A 46 -2.298 11.317 -1.910 1.00 0.00 N ATOM 692 CA CYS A 46 -1.229 10.325 -2.002 1.00 0.00 C ATOM 693 C CYS A 46 0.081 10.961 -2.459 1.00 0.00 C ATOM 694 O CYS A 46 1.160 10.577 -2.006 1.00 0.00 O ATOM 695 CB CYS A 46 -1.627 9.207 -2.965 1.00 0.00 C ATOM 696 SG CYS A 46 -2.609 7.896 -2.201 1.00 0.00 S ATOM 0 H CYS A 46 -3.165 11.041 -2.371 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.076 9.907 -1.007 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.193 9.637 -3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.724 8.770 -3.391 1.00 0.00 H new ATOM 0 HG CYS A 46 -3.078 7.111 -3.125 1.00 0.00 H new ATOM 702 N GLN A 47 -0.018 11.934 -3.359 1.00 0.00 N ATOM 703 CA GLN A 47 1.162 12.621 -3.873 1.00 0.00 C ATOM 704 C GLN A 47 1.700 13.610 -2.844 1.00 0.00 C ATOM 705 O GLN A 47 2.909 13.713 -2.639 1.00 0.00 O ATOM 706 CB GLN A 47 0.831 13.345 -5.181 1.00 0.00 C ATOM 707 CG GLN A 47 1.392 12.658 -6.415 1.00 0.00 C ATOM 708 CD GLN A 47 0.462 11.595 -6.966 1.00 0.00 C ATOM 709 OE1 GLN A 47 0.779 10.406 -6.945 1.00 0.00 O ATOM 710 NE2 GLN A 47 -0.693 12.019 -7.464 1.00 0.00 N ATOM 0 H GLN A 47 -0.902 12.264 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 47 1.932 11.876 -4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.252 13.423 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.221 14.362 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.582 13.404 -7.187 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.351 12.203 -6.168 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.915 13.015 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.359 11.349 -7.850 1.00 0.00 H new ATOM 719 N SER A 48 0.793 14.335 -2.196 1.00 0.00 N ATOM 720 CA SER A 48 1.174 15.315 -1.183 1.00 0.00 C ATOM 721 C SER A 48 2.109 14.697 -0.146 1.00 0.00 C ATOM 722 O SER A 48 3.089 15.316 0.269 1.00 0.00 O ATOM 723 CB SER A 48 -0.073 15.872 -0.492 1.00 0.00 C ATOM 724 OG SER A 48 -0.427 17.140 -1.019 1.00 0.00 O ATOM 0 H SER A 48 -0.212 14.262 -2.354 1.00 0.00 H new ATOM 0 HA SER A 48 1.703 16.128 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.903 15.178 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.109 15.958 0.579 1.00 0.00 H new ATOM 0 HG SER A 48 -1.227 17.472 -0.562 1.00 0.00 H new ATOM 730 N HIS A 49 1.798 13.474 0.271 1.00 0.00 N ATOM 731 CA HIS A 49 2.608 12.774 1.263 1.00 0.00 C ATOM 732 C HIS A 49 3.614 11.831 0.603 1.00 0.00 C ATOM 733 O HIS A 49 4.412 11.189 1.287 1.00 0.00 O ATOM 734 CB HIS A 49 1.709 11.988 2.218 1.00 0.00 C ATOM 735 CG HIS A 49 1.312 12.763 3.433 1.00 0.00 C ATOM 736 ND1 HIS A 49 1.314 14.140 3.479 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.904 12.349 4.656 1.00 0.00 C ATOM 738 CE1 HIS A 49 0.927 14.541 4.675 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.671 13.475 5.411 1.00 0.00 N ATOM 0 H HIS A 49 0.991 12.947 -0.062 1.00 0.00 H new ATOM 0 HA HIS A 49 3.166 13.524 1.824 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.811 11.676 1.685 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.227 11.080 2.528 1.00 0.00 H new ATOM 0 HD1 HIS A 49 1.574 14.755 2.708 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.784 11.325 4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.835 15.568 4.997 1.00 0.00 H new ATOM 748 N ASN A 50 3.574 11.744 -0.723 1.00 0.00 N ATOM 749 CA ASN A 50 4.483 10.874 -1.457 1.00 0.00 C ATOM 750 C ASN A 50 4.402 9.443 -0.935 1.00 0.00 C ATOM 751 O ASN A 50 5.420 8.824 -0.626 1.00 0.00 O ATOM 752 CB ASN A 50 5.918 11.395 -1.356 1.00 0.00 C ATOM 753 CG ASN A 50 6.015 12.882 -1.641 1.00 0.00 C ATOM 754 OD1 ASN A 50 6.257 13.294 -2.776 1.00 0.00 O ATOM 755 ND2 ASN A 50 5.825 13.695 -0.610 1.00 0.00 N ATOM 0 H ASN A 50 2.922 12.265 -1.310 1.00 0.00 H new ATOM 0 HA ASN A 50 4.183 10.874 -2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.305 11.193 -0.357 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.549 10.851 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.877 14.705 -0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 50 5.627 13.310 0.313 1.00 0.00 H new ATOM 762 N ILE A 51 3.178 8.929 -0.840 1.00 0.00 N ATOM 763 CA ILE A 51 2.946 7.571 -0.361 1.00 0.00 C ATOM 764 C ILE A 51 2.596 6.644 -1.523 1.00 0.00 C ATOM 765 O ILE A 51 1.446 6.589 -1.953 1.00 0.00 O ATOM 766 CB ILE A 51 1.801 7.524 0.672 1.00 0.00 C ATOM 767 CG1 ILE A 51 2.050 8.532 1.796 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.650 6.120 1.239 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.793 8.923 2.543 1.00 0.00 C ATOM 0 H ILE A 51 2.329 9.436 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 51 3.868 7.238 0.115 1.00 0.00 H new ATOM 0 HB ILE A 51 0.873 7.793 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.766 8.109 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.507 9.428 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.838 6.107 1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.426 5.424 0.431 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.578 5.823 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.043 9.640 3.325 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.084 9.375 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.346 8.036 2.992 1.00 0.00 H new ATOM 781 N PRO A 52 3.586 5.908 -2.056 1.00 0.00 N ATOM 782 CA PRO A 52 3.366 4.991 -3.181 1.00 0.00 C ATOM 783 C PRO A 52 2.272 3.968 -2.898 1.00 0.00 C ATOM 784 O PRO A 52 2.419 3.107 -2.031 1.00 0.00 O ATOM 785 CB PRO A 52 4.718 4.293 -3.350 1.00 0.00 C ATOM 786 CG PRO A 52 5.708 5.227 -2.747 1.00 0.00 C ATOM 787 CD PRO A 52 4.994 5.914 -1.618 1.00 0.00 C ATOM 0 HA PRO A 52 3.032 5.523 -4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.729 3.326 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.939 4.108 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.583 4.688 -2.385 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.061 5.950 -3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.125 5.382 -0.676 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.364 6.928 -1.465 1.00 0.00 H new ATOM 795 N VAL A 53 1.179 4.065 -3.645 1.00 0.00 N ATOM 796 CA VAL A 53 0.056 3.148 -3.493 1.00 0.00 C ATOM 797 C VAL A 53 -0.801 3.133 -4.750 1.00 0.00 C ATOM 798 O VAL A 53 -0.661 3.996 -5.617 1.00 0.00 O ATOM 799 CB VAL A 53 -0.828 3.513 -2.285 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.201 3.015 -0.994 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.071 5.013 -2.225 1.00 0.00 C ATOM 0 H VAL A 53 1.046 4.774 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 53 0.480 2.158 -3.324 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.793 3.021 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.840 3.282 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.092 1.931 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.779 3.474 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.697 5.246 -1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.117 5.533 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.573 5.337 -3.137 1.00 0.00 H new ATOM 811 N GLU A 54 -1.686 2.150 -4.849 1.00 0.00 N ATOM 812 CA GLU A 54 -2.559 2.031 -6.010 1.00 0.00 C ATOM 813 C GLU A 54 -4.017 1.906 -5.585 1.00 0.00 C ATOM 814 O GLU A 54 -4.392 0.965 -4.883 1.00 0.00 O ATOM 815 CB GLU A 54 -2.160 0.824 -6.864 1.00 0.00 C ATOM 816 CG GLU A 54 -0.681 0.471 -6.785 1.00 0.00 C ATOM 817 CD GLU A 54 -0.067 0.212 -8.146 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.404 -0.821 -8.762 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.751 1.040 -8.596 1.00 0.00 O ATOM 0 H GLU A 54 -1.818 1.426 -4.143 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.447 2.937 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.746 -0.040 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.420 1.025 -7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.143 1.284 -6.297 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.556 -0.413 -6.160 1.00 0.00 H new ATOM 826 N LEU A 55 -4.835 2.860 -6.013 1.00 0.00 N ATOM 827 CA LEU A 55 -6.252 2.854 -5.676 1.00 0.00 C ATOM 828 C LEU A 55 -7.082 2.294 -6.828 1.00 0.00 C ATOM 829 O LEU A 55 -7.059 2.816 -7.942 1.00 0.00 O ATOM 830 CB LEU A 55 -6.731 4.263 -5.327 1.00 0.00 C ATOM 831 CG LEU A 55 -8.172 4.343 -4.819 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.302 5.395 -3.726 1.00 0.00 C ATOM 833 CD2 LEU A 55 -9.121 4.641 -5.969 1.00 0.00 C ATOM 0 H LEU A 55 -4.542 3.646 -6.593 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.385 2.212 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.069 4.679 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.637 4.893 -6.211 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.441 3.377 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.335 5.434 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.650 5.136 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.015 6.369 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.143 4.695 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.852 5.593 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.050 3.848 -6.714 1.00 0.00 H new ATOM 845 N ILE A 56 -7.809 1.223 -6.545 1.00 0.00 N ATOM 846 CA ILE A 56 -8.651 0.563 -7.540 1.00 0.00 C ATOM 847 C ILE A 56 -10.125 0.836 -7.270 1.00 0.00 C ATOM 848 O ILE A 56 -10.528 1.027 -6.125 1.00 0.00 O ATOM 849 CB ILE A 56 -8.415 -0.967 -7.579 1.00 0.00 C ATOM 850 CG1 ILE A 56 -7.679 -1.430 -6.315 1.00 0.00 C ATOM 851 CG2 ILE A 56 -7.637 -1.347 -8.836 1.00 0.00 C ATOM 852 CD1 ILE A 56 -7.257 -2.884 -6.342 1.00 0.00 C ATOM 0 H ILE A 56 -7.834 0.786 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.373 0.978 -8.509 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.381 -1.471 -7.608 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -6.794 -0.809 -6.175 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.324 -1.266 -5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.477 -2.425 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.204 -1.051 -9.718 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.674 -0.837 -8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.744 -3.131 -5.413 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.138 -3.517 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.585 -3.052 -7.183 1.00 0.00 H new ATOM 864 N GLN A 57 -10.932 0.845 -8.322 1.00 0.00 N ATOM 865 CA GLN A 57 -12.363 1.080 -8.174 1.00 0.00 C ATOM 866 C GLN A 57 -13.153 -0.097 -8.732 1.00 0.00 C ATOM 867 O GLN A 57 -12.884 -0.565 -9.839 1.00 0.00 O ATOM 868 CB GLN A 57 -12.773 2.371 -8.887 1.00 0.00 C ATOM 869 CG GLN A 57 -14.110 2.921 -8.419 1.00 0.00 C ATOM 870 CD GLN A 57 -15.279 2.343 -9.191 1.00 0.00 C ATOM 871 OE1 GLN A 57 -15.111 1.816 -10.292 1.00 0.00 O ATOM 872 NE2 GLN A 57 -16.474 2.438 -8.618 1.00 0.00 N ATOM 0 H GLN A 57 -10.623 0.693 -9.282 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.585 1.183 -7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -12.003 3.125 -8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.821 2.185 -9.960 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -14.237 2.704 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -14.110 4.006 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.568 2.882 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.298 2.066 -9.091 1.00 0.00 H new ATOM 881 N CYS A 58 -14.124 -0.578 -7.963 1.00 0.00 N ATOM 882 CA CYS A 58 -14.946 -1.706 -8.386 1.00 0.00 C ATOM 883 C CYS A 58 -16.309 -1.660 -7.699 1.00 0.00 C ATOM 884 O CYS A 58 -16.503 -0.901 -6.755 1.00 0.00 O ATOM 885 CB CYS A 58 -14.239 -3.019 -8.065 1.00 0.00 C ATOM 886 SG CYS A 58 -13.083 -3.563 -9.343 1.00 0.00 S ATOM 0 H CYS A 58 -14.361 -0.205 -7.044 1.00 0.00 H new ATOM 0 HA CYS A 58 -15.099 -1.641 -9.463 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.699 -2.909 -7.124 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.989 -3.796 -7.913 1.00 0.00 H new ATOM 0 HG CYS A 58 -13.224 -4.840 -9.541 1.00 0.00 H new ATOM 892 N ARG A 59 -17.253 -2.469 -8.172 1.00 0.00 N ATOM 893 CA ARG A 59 -18.595 -2.505 -7.596 1.00 0.00 C ATOM 894 C ARG A 59 -18.598 -3.192 -6.223 1.00 0.00 C ATOM 895 O ARG A 59 -17.574 -3.238 -5.540 1.00 0.00 O ATOM 896 CB ARG A 59 -19.548 -3.227 -8.558 1.00 0.00 C ATOM 897 CG ARG A 59 -19.516 -2.682 -9.979 1.00 0.00 C ATOM 898 CD ARG A 59 -19.889 -3.751 -10.994 1.00 0.00 C ATOM 899 NE ARG A 59 -20.609 -3.198 -12.141 1.00 0.00 N ATOM 900 CZ ARG A 59 -20.093 -3.078 -13.364 1.00 0.00 C ATOM 901 NH1 ARG A 59 -18.836 -3.433 -13.609 1.00 0.00 N ATOM 902 NH2 ARG A 59 -20.836 -2.593 -14.350 1.00 0.00 N ATOM 0 H ARG A 59 -17.114 -3.109 -8.954 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.934 -1.479 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -19.294 -4.287 -8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.565 -3.151 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.206 -1.842 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.520 -2.300 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -18.985 -4.251 -11.342 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -20.506 -4.509 -10.511 1.00 0.00 H new ATOM 0 HE ARG A 59 -21.568 -2.884 -11.995 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.254 -3.802 -12.857 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -18.453 -3.336 -14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.800 -2.313 -14.172 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -20.443 -2.500 -15.287 1.00 0.00 H new ATOM 916 N VAL A 60 -19.753 -3.729 -5.827 1.00 0.00 N ATOM 917 CA VAL A 60 -19.883 -4.412 -4.542 1.00 0.00 C ATOM 918 C VAL A 60 -19.593 -5.907 -4.670 1.00 0.00 C ATOM 919 O VAL A 60 -19.574 -6.630 -3.674 1.00 0.00 O ATOM 920 CB VAL A 60 -21.291 -4.229 -3.935 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.386 -2.905 -3.191 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.365 -4.324 -5.011 1.00 0.00 C ATOM 0 H VAL A 60 -20.611 -3.703 -6.378 1.00 0.00 H new ATOM 0 HA VAL A 60 -19.147 -3.956 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.460 -5.035 -3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.386 -2.795 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.650 -2.886 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -21.190 -2.085 -3.882 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.347 -4.192 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.202 -3.546 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.315 -5.302 -5.490 1.00 0.00 H new ATOM 932 N ASN A 61 -19.366 -6.367 -5.897 1.00 0.00 N ATOM 933 CA ASN A 61 -19.077 -7.774 -6.147 1.00 0.00 C ATOM 934 C ASN A 61 -17.871 -7.918 -7.070 1.00 0.00 C ATOM 935 O ASN A 61 -17.919 -8.640 -8.066 1.00 0.00 O ATOM 936 CB ASN A 61 -20.296 -8.465 -6.764 1.00 0.00 C ATOM 937 CG ASN A 61 -21.453 -8.585 -5.792 1.00 0.00 C ATOM 938 OD1 ASN A 61 -22.209 -7.635 -5.589 1.00 0.00 O ATOM 939 ND2 ASN A 61 -21.599 -9.756 -5.184 1.00 0.00 N ATOM 0 H ASN A 61 -19.377 -5.784 -6.734 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.845 -8.251 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.620 -7.906 -7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -20.010 -9.459 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -22.361 -9.894 -4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.950 -10.518 -5.381 1.00 0.00 H new ATOM 946 N GLU A 62 -16.791 -7.220 -6.733 1.00 0.00 N ATOM 947 CA GLU A 62 -15.570 -7.265 -7.535 1.00 0.00 C ATOM 948 C GLU A 62 -14.320 -7.291 -6.656 1.00 0.00 C ATOM 949 O GLU A 62 -13.330 -7.941 -6.991 1.00 0.00 O ATOM 950 CB GLU A 62 -15.514 -6.062 -8.477 1.00 0.00 C ATOM 951 CG GLU A 62 -15.813 -6.407 -9.925 1.00 0.00 C ATOM 952 CD GLU A 62 -17.177 -5.925 -10.371 1.00 0.00 C ATOM 953 OE1 GLU A 62 -18.148 -6.097 -9.604 1.00 0.00 O ATOM 954 OE2 GLU A 62 -17.273 -5.375 -11.487 1.00 0.00 O ATOM 0 H GLU A 62 -16.735 -6.617 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.592 -8.185 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.228 -5.312 -8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.524 -5.611 -8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.049 -5.965 -10.565 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.753 -7.487 -10.057 1.00 0.00 H new ATOM 961 N ILE A 63 -14.367 -6.576 -5.536 1.00 0.00 N ATOM 962 CA ILE A 63 -13.235 -6.514 -4.617 1.00 0.00 C ATOM 963 C ILE A 63 -12.763 -7.912 -4.231 1.00 0.00 C ATOM 964 O ILE A 63 -11.565 -8.157 -4.080 1.00 0.00 O ATOM 965 CB ILE A 63 -13.609 -5.741 -3.335 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.214 -4.380 -3.694 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.398 -5.568 -2.433 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.439 -4.028 -2.877 1.00 0.00 C ATOM 0 H ILE A 63 -15.178 -6.031 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.429 -5.993 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 63 -14.354 -6.320 -2.790 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.459 -3.607 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.479 -4.377 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.688 -5.020 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -12.011 -6.547 -2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.625 -5.012 -2.964 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.814 -3.052 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.212 -4.780 -3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.175 -3.998 -1.820 1.00 0.00 H new ATOM 980 N GLU A 64 -13.713 -8.825 -4.079 1.00 0.00 N ATOM 981 CA GLU A 64 -13.403 -10.201 -3.714 1.00 0.00 C ATOM 982 C GLU A 64 -12.691 -10.914 -4.858 1.00 0.00 C ATOM 983 O GLU A 64 -11.802 -11.734 -4.633 1.00 0.00 O ATOM 984 CB GLU A 64 -14.681 -10.957 -3.346 1.00 0.00 C ATOM 985 CG GLU A 64 -15.614 -10.177 -2.433 1.00 0.00 C ATOM 986 CD GLU A 64 -15.433 -10.529 -0.970 1.00 0.00 C ATOM 987 OE1 GLU A 64 -14.291 -10.428 -0.473 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.432 -10.902 -0.322 1.00 0.00 O ATOM 0 H GLU A 64 -14.708 -8.637 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.741 -10.181 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -15.215 -11.216 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.410 -11.894 -2.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.440 -9.110 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.646 -10.372 -2.724 1.00 0.00 H new ATOM 995 N THR A 65 -13.088 -10.598 -6.087 1.00 0.00 N ATOM 996 CA THR A 65 -12.486 -11.213 -7.263 1.00 0.00 C ATOM 997 C THR A 65 -11.126 -10.595 -7.563 1.00 0.00 C ATOM 998 O THR A 65 -10.169 -11.302 -7.876 1.00 0.00 O ATOM 999 CB THR A 65 -13.408 -11.060 -8.474 1.00 0.00 C ATOM 1000 OG1 THR A 65 -13.761 -9.702 -8.667 1.00 0.00 O ATOM 1001 CG2 THR A 65 -14.690 -11.856 -8.353 1.00 0.00 C ATOM 0 H THR A 65 -13.823 -9.921 -6.293 1.00 0.00 H new ATOM 0 HA THR A 65 -12.345 -12.274 -7.055 1.00 0.00 H new ATOM 0 HB THR A 65 -12.840 -11.444 -9.321 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.415 -9.165 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.298 -11.703 -9.244 1.00 0.00 H new ATOM 0 HG22 THR A 65 -14.453 -12.915 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.243 -11.523 -7.475 1.00 0.00 H new ATOM 1009 N TYR A 66 -11.040 -9.272 -7.459 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.790 -8.566 -7.713 1.00 0.00 C ATOM 1011 C TYR A 66 -8.970 -8.413 -6.435 1.00 0.00 C ATOM 1012 O TYR A 66 -8.001 -7.654 -6.400 1.00 0.00 O ATOM 1013 CB TYR A 66 -10.076 -7.192 -8.315 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.766 -7.255 -9.656 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -10.192 -7.930 -10.724 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -11.991 -6.638 -9.853 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -10.821 -7.990 -11.951 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -12.627 -6.693 -11.077 1.00 0.00 C ATOM 1019 CZ TYR A 66 -12.039 -7.370 -12.122 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.671 -7.427 -13.342 1.00 0.00 O ATOM 0 H TYR A 66 -11.821 -8.668 -7.201 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.209 -9.157 -8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.696 -6.622 -7.623 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.137 -6.649 -8.423 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.237 -8.417 -10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.455 -6.106 -9.036 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.361 -8.520 -12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -13.582 -6.207 -11.214 1.00 0.00 H new ATOM 0 HH TYR A 66 -13.520 -6.940 -13.294 1.00 0.00 H new ATOM 1030 N MET A 67 -9.359 -9.131 -5.385 1.00 0.00 N ATOM 1031 CA MET A 67 -8.654 -9.063 -4.109 1.00 0.00 C ATOM 1032 C MET A 67 -7.304 -9.782 -4.183 1.00 0.00 C ATOM 1033 O MET A 67 -6.963 -10.574 -3.304 1.00 0.00 O ATOM 1034 CB MET A 67 -9.520 -9.678 -3.003 1.00 0.00 C ATOM 1035 CG MET A 67 -9.918 -8.687 -1.921 1.00 0.00 C ATOM 1036 SD MET A 67 -9.341 -9.171 -0.281 1.00 0.00 S ATOM 1037 CE MET A 67 -7.612 -9.501 -0.613 1.00 0.00 C ATOM 0 H MET A 67 -10.157 -9.766 -5.393 1.00 0.00 H new ATOM 0 HA MET A 67 -8.464 -8.015 -3.879 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.422 -10.097 -3.450 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.977 -10.505 -2.545 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.514 -7.705 -2.168 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.004 -8.590 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 67 -7.015 -9.222 0.255 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.477 -10.563 -0.820 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.290 -8.919 -1.476 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.538 -9.505 -5.235 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.236 -10.132 -5.415 1.00 0.00 C ATOM 1049 C ASP A 68 -4.242 -9.636 -4.371 1.00 0.00 C ATOM 1050 O ASP A 68 -3.441 -10.409 -3.847 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.703 -9.846 -6.821 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.957 -10.991 -7.783 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.588 -11.987 -7.371 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -4.524 -10.891 -8.951 1.00 0.00 O ATOM 0 H ASP A 68 -6.798 -8.851 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.357 -11.208 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.172 -8.941 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.632 -9.652 -6.767 1.00 0.00 H new ATOM 1059 N GLY A 69 -4.297 -8.342 -4.077 1.00 0.00 N ATOM 1060 CA GLY A 69 -3.393 -7.769 -3.100 1.00 0.00 C ATOM 1061 C GLY A 69 -3.864 -6.424 -2.583 1.00 0.00 C ATOM 1062 O GLY A 69 -3.165 -5.420 -2.728 1.00 0.00 O ATOM 0 H GLY A 69 -4.951 -7.681 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.286 -8.458 -2.262 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.406 -7.656 -3.548 1.00 0.00 H new ATOM 1066 N VAL A 70 -5.045 -6.396 -1.973 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.590 -5.157 -1.432 1.00 0.00 C ATOM 1068 C VAL A 70 -5.186 -4.976 0.029 1.00 0.00 C ATOM 1069 O VAL A 70 -5.379 -5.870 0.852 1.00 0.00 O ATOM 1070 CB VAL A 70 -7.127 -5.117 -1.542 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.764 -6.214 -0.700 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.655 -3.753 -1.132 1.00 0.00 C ATOM 0 H VAL A 70 -5.640 -7.214 -1.842 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.176 -4.342 -2.026 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.396 -5.293 -2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.849 -6.163 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.415 -7.187 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.485 -6.079 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.742 -3.743 -1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.369 -3.547 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.234 -2.989 -1.785 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.623 -3.816 0.341 1.00 0.00 N ATOM 1083 CA HIS A 71 -4.193 -3.516 1.702 1.00 0.00 C ATOM 1084 C HIS A 71 -5.298 -2.811 2.481 1.00 0.00 C ATOM 1085 O HIS A 71 -5.303 -2.820 3.713 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.935 -2.645 1.675 1.00 0.00 C ATOM 1087 CG HIS A 71 -2.434 -2.269 3.034 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -2.420 -0.973 3.502 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -1.930 -3.031 4.033 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -1.928 -0.952 4.727 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -1.622 -2.189 5.073 1.00 0.00 N ATOM 0 H HIS A 71 -4.453 -3.067 -0.330 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.968 -4.457 2.203 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.147 -3.177 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.145 -1.736 1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.795 -4.102 4.015 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.798 -0.073 5.341 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.222 -2.473 5.967 1.00 0.00 H new ATOM 1100 N LEU A 72 -6.234 -2.207 1.756 1.00 0.00 N ATOM 1101 CA LEU A 72 -7.350 -1.499 2.375 1.00 0.00 C ATOM 1102 C LEU A 72 -8.535 -1.428 1.416 1.00 0.00 C ATOM 1103 O LEU A 72 -8.354 -1.313 0.208 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.924 -0.085 2.767 1.00 0.00 C ATOM 1105 CG LEU A 72 -6.360 0.065 4.179 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -5.392 1.239 4.237 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -7.485 0.245 5.190 1.00 0.00 C ATOM 0 H LEU A 72 -6.242 -2.194 0.736 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.650 -2.046 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.173 0.259 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.785 0.576 2.666 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.817 -0.845 4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.997 1.335 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.570 1.068 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.915 2.155 3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.063 0.350 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.057 1.139 4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.141 -0.625 5.163 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.748 -1.495 1.948 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.933 -1.425 1.104 1.00 0.00 C ATOM 1121 C ILE A 73 -11.948 -0.428 1.659 1.00 0.00 C ATOM 1122 O ILE A 73 -12.127 -0.310 2.870 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.578 -2.820 0.918 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -13.000 -2.715 0.361 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -11.570 -3.613 2.210 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.040 -2.664 -1.146 1.00 0.00 C ATOM 0 H ILE A 73 -9.936 -1.596 2.945 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.614 -1.072 0.123 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.970 -3.355 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.583 -3.569 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -13.476 -1.820 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.030 -4.587 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.542 -3.751 2.546 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -12.132 -3.073 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.075 -2.590 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.483 -1.795 -1.496 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.591 -3.570 -1.553 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.606 0.292 0.754 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.602 1.282 1.139 1.00 0.00 C ATOM 1140 C CYS A 74 -14.919 1.050 0.403 1.00 0.00 C ATOM 1141 O CYS A 74 -14.980 1.142 -0.824 1.00 0.00 O ATOM 1142 CB CYS A 74 -13.083 2.695 0.862 1.00 0.00 C ATOM 1143 SG CYS A 74 -13.288 3.838 2.247 1.00 0.00 S ATOM 0 H CYS A 74 -12.465 0.206 -0.253 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.787 1.177 2.208 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.025 2.639 0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.602 3.098 -0.008 1.00 0.00 H new ATOM 0 HG CYS A 74 -13.984 3.265 3.183 1.00 0.00 H new ATOM 1149 N THR A 75 -15.970 0.749 1.159 1.00 0.00 N ATOM 1150 CA THR A 75 -17.289 0.504 0.578 1.00 0.00 C ATOM 1151 C THR A 75 -18.379 1.094 1.467 1.00 0.00 C ATOM 1152 O THR A 75 -18.215 1.172 2.679 1.00 0.00 O ATOM 1153 CB THR A 75 -17.527 -1.001 0.403 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.438 -1.613 -0.267 1.00 0.00 O ATOM 1155 CG2 THR A 75 -18.778 -1.324 -0.381 1.00 0.00 C ATOM 0 H THR A 75 -15.936 0.668 2.175 1.00 0.00 H new ATOM 0 HA THR A 75 -17.326 0.986 -0.399 1.00 0.00 H new ATOM 0 HB THR A 75 -17.637 -1.389 1.416 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.612 -2.572 -0.366 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.885 -2.405 -0.467 1.00 0.00 H new ATOM 0 HG22 THR A 75 -19.646 -0.913 0.134 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.706 -0.886 -1.377 1.00 0.00 H new ATOM 1163 N THR A 76 -19.488 1.505 0.859 1.00 0.00 N ATOM 1164 CA THR A 76 -20.601 2.083 1.609 1.00 0.00 C ATOM 1165 C THR A 76 -21.738 1.077 1.756 1.00 0.00 C ATOM 1166 O THR A 76 -22.794 1.223 1.141 1.00 0.00 O ATOM 1167 CB THR A 76 -21.115 3.352 0.920 1.00 0.00 C ATOM 1168 OG1 THR A 76 -22.384 3.721 1.435 1.00 0.00 O ATOM 1169 CG2 THR A 76 -21.252 3.208 -0.581 1.00 0.00 C ATOM 0 H THR A 76 -19.641 1.449 -0.148 1.00 0.00 H new ATOM 0 HA THR A 76 -20.235 2.343 2.602 1.00 0.00 H new ATOM 0 HB THR A 76 -20.366 4.116 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 76 -23.046 3.040 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.620 4.143 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.280 2.972 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 76 -21.955 2.406 -0.807 1.00 0.00 H new ATOM 1177 N ALA A 77 -21.513 0.054 2.575 1.00 0.00 N ATOM 1178 CA ALA A 77 -22.518 -0.977 2.802 1.00 0.00 C ATOM 1179 C ALA A 77 -22.336 -1.631 4.167 1.00 0.00 C ATOM 1180 O ALA A 77 -21.216 -1.758 4.662 1.00 0.00 O ATOM 1181 CB ALA A 77 -22.459 -2.022 1.699 1.00 0.00 C ATOM 0 H ALA A 77 -20.644 -0.082 3.092 1.00 0.00 H new ATOM 0 HA ALA A 77 -23.500 -0.503 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -23.215 -2.786 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.648 -1.546 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -21.472 -2.484 1.688 1.00 0.00 H new ATOM 1187 N ARG A 78 -23.444 -2.049 4.769 1.00 0.00 N ATOM 1188 CA ARG A 78 -23.409 -2.693 6.077 1.00 0.00 C ATOM 1189 C ARG A 78 -22.945 -4.144 5.962 1.00 0.00 C ATOM 1190 O ARG A 78 -23.674 -5.069 6.320 1.00 0.00 O ATOM 1191 CB ARG A 78 -24.792 -2.639 6.732 1.00 0.00 C ATOM 1192 CG ARG A 78 -25.176 -1.255 7.231 1.00 0.00 C ATOM 1193 CD ARG A 78 -26.579 -0.865 6.788 1.00 0.00 C ATOM 1194 NE ARG A 78 -27.405 -0.423 7.909 1.00 0.00 N ATOM 1195 CZ ARG A 78 -28.102 -1.246 8.689 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -28.069 -2.558 8.484 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -28.831 -0.756 9.681 1.00 0.00 N ATOM 0 H ARG A 78 -24.379 -1.953 4.372 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.696 -2.152 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -25.539 -2.977 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -24.816 -3.337 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -25.119 -1.232 8.319 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -24.460 -0.522 6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.517 -0.068 6.047 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -27.055 -1.716 6.301 1.00 0.00 H new ATOM 0 HE ARG A 78 -27.450 0.577 8.106 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -27.507 -2.942 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -28.606 -3.182 9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -28.857 0.250 9.846 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -29.366 -1.385 10.280 1.00 0.00 H new ATOM 1211 N VAL A 79 -21.728 -4.337 5.460 1.00 0.00 N ATOM 1212 CA VAL A 79 -21.173 -5.676 5.303 1.00 0.00 C ATOM 1213 C VAL A 79 -21.018 -6.366 6.656 1.00 0.00 C ATOM 1214 O VAL A 79 -21.378 -5.805 7.691 1.00 0.00 O ATOM 1215 CB VAL A 79 -19.805 -5.634 4.596 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -19.984 -5.343 3.113 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -18.896 -4.600 5.247 1.00 0.00 C ATOM 0 H VAL A 79 -21.110 -3.585 5.156 1.00 0.00 H new ATOM 0 HA VAL A 79 -21.872 -6.243 4.689 1.00 0.00 H new ATOM 0 HB VAL A 79 -19.331 -6.610 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -19.009 -5.316 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -20.594 -6.124 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -20.478 -4.379 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -17.935 -4.586 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -19.358 -3.615 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.743 -4.858 6.295 1.00 0.00 H new ATOM 1227 N ASP A 80 -20.482 -7.584 6.646 1.00 0.00 N ATOM 1228 CA ASP A 80 -20.287 -8.337 7.881 1.00 0.00 C ATOM 1229 C ASP A 80 -18.876 -8.141 8.425 1.00 0.00 C ATOM 1230 O ASP A 80 -18.631 -8.329 9.616 1.00 0.00 O ATOM 1231 CB ASP A 80 -20.546 -9.826 7.639 1.00 0.00 C ATOM 1232 CG ASP A 80 -22.016 -10.138 7.445 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -22.858 -9.374 7.963 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -22.327 -11.145 6.776 1.00 0.00 O ATOM 0 H ASP A 80 -20.177 -8.068 5.802 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.996 -7.963 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.991 -10.149 6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.165 -10.399 8.484 1.00 0.00 H new ATOM 1239 N ARG A 81 -17.952 -7.762 7.544 1.00 0.00 N ATOM 1240 CA ARG A 81 -16.559 -7.539 7.931 1.00 0.00 C ATOM 1241 C ARG A 81 -16.066 -8.634 8.874 1.00 0.00 C ATOM 1242 O ARG A 81 -15.342 -8.365 9.833 1.00 0.00 O ATOM 1243 CB ARG A 81 -16.407 -6.167 8.592 1.00 0.00 C ATOM 1244 CG ARG A 81 -15.381 -5.279 7.910 1.00 0.00 C ATOM 1245 CD ARG A 81 -15.523 -3.833 8.352 1.00 0.00 C ATOM 1246 NE ARG A 81 -16.403 -3.074 7.468 1.00 0.00 N ATOM 1247 CZ ARG A 81 -16.891 -1.872 7.760 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -16.596 -1.293 8.917 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -17.680 -1.248 6.896 1.00 0.00 N ATOM 0 H ARG A 81 -18.143 -7.602 6.555 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.949 -7.570 7.028 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.373 -5.662 8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.122 -6.304 9.635 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.377 -5.635 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -15.501 -5.345 6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -15.916 -3.802 9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.540 -3.363 8.375 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.659 -3.491 6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.993 -1.770 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.973 -0.371 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.913 -1.690 6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.054 -0.326 7.121 1.00 0.00 H new ATOM 1263 N SER A 82 -16.460 -9.869 8.590 1.00 0.00 N ATOM 1264 CA SER A 82 -16.057 -11.009 9.405 1.00 0.00 C ATOM 1265 C SER A 82 -15.409 -12.094 8.547 1.00 0.00 C ATOM 1266 O SER A 82 -15.049 -13.160 9.048 1.00 0.00 O ATOM 1267 CB SER A 82 -17.266 -11.584 10.149 1.00 0.00 C ATOM 1268 OG SER A 82 -18.020 -12.444 9.312 1.00 0.00 O ATOM 0 H SER A 82 -17.059 -10.107 7.800 1.00 0.00 H new ATOM 0 HA SER A 82 -15.323 -10.661 10.132 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.928 -12.132 11.029 1.00 0.00 H new ATOM 0 HB3 SER A 82 -17.899 -10.771 10.504 1.00 0.00 H new ATOM 0 HG SER A 82 -18.785 -12.799 9.812 1.00 0.00 H new ATOM 1274 N PHE A 83 -15.262 -11.820 7.250 1.00 0.00 N ATOM 1275 CA PHE A 83 -14.656 -12.777 6.330 1.00 0.00 C ATOM 1276 C PHE A 83 -13.162 -12.513 6.171 1.00 0.00 C ATOM 1277 O PHE A 83 -12.753 -11.626 5.422 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.351 -12.724 4.963 1.00 0.00 C ATOM 1279 CG PHE A 83 -15.370 -11.357 4.333 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -16.302 -10.410 4.727 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -14.462 -11.024 3.340 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -16.327 -9.156 4.146 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -14.482 -9.771 2.754 1.00 0.00 C ATOM 1284 CZ PHE A 83 -15.415 -8.837 3.158 1.00 0.00 C ATOM 0 H PHE A 83 -15.554 -10.945 6.816 1.00 0.00 H new ATOM 0 HA PHE A 83 -14.784 -13.774 6.751 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -14.850 -13.417 4.286 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -16.377 -13.074 5.076 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -17.018 -10.655 5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -13.730 -11.751 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -17.058 -8.427 4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -13.769 -9.524 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.432 -7.858 2.702 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.353 -13.293 6.882 1.00 0.00 N ATOM 1295 CA GLY A 84 -10.912 -13.135 6.809 1.00 0.00 C ATOM 1296 C GLY A 84 -10.414 -11.964 7.629 1.00 0.00 C ATOM 1297 O GLY A 84 -10.597 -11.924 8.846 1.00 0.00 O ATOM 0 H GLY A 84 -12.671 -14.033 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.432 -14.049 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.617 -12.997 5.769 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.783 -11.008 6.960 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.256 -9.825 7.628 1.00 0.00 C ATOM 1303 C ASP A 85 -9.279 -8.627 6.691 1.00 0.00 C ATOM 1304 O ASP A 85 -8.468 -7.714 6.820 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.827 -10.082 8.120 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.757 -10.293 9.621 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.748 -9.977 10.314 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -6.711 -10.774 10.104 1.00 0.00 O ATOM 0 H ASP A 85 -9.623 -11.029 5.953 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.890 -9.606 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.425 -10.960 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.195 -9.238 7.845 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.217 -8.639 5.749 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.352 -7.556 4.788 1.00 0.00 C ATOM 1315 C ILE A 86 -10.519 -6.207 5.493 1.00 0.00 C ATOM 1316 O ILE A 86 -11.598 -5.880 5.986 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.549 -7.805 3.848 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.637 -6.709 2.787 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.845 -7.886 4.643 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.125 -7.128 1.425 1.00 0.00 C ATOM 0 H ILE A 86 -10.896 -9.391 5.633 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.437 -7.527 4.197 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.396 -8.759 3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.676 -6.392 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.069 -5.843 3.126 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.679 -8.062 3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.782 -8.705 5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.004 -6.949 5.177 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.221 -6.295 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.077 -7.416 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.708 -7.974 1.062 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.445 -5.399 5.549 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.488 -4.086 6.197 1.00 0.00 C ATOM 1334 C PRO A 87 -10.398 -3.114 5.459 1.00 0.00 C ATOM 1335 O PRO A 87 -9.930 -2.292 4.671 1.00 0.00 O ATOM 1336 CB PRO A 87 -8.034 -3.606 6.136 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.437 -4.352 4.993 1.00 0.00 C ATOM 1338 CD PRO A 87 -8.115 -5.692 4.981 1.00 0.00 C ATOM 0 HA PRO A 87 -9.887 -4.144 7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.979 -2.529 5.978 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.507 -3.819 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.599 -3.823 4.054 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.359 -4.460 5.116 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.188 -6.098 3.972 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.573 -6.423 5.580 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.700 -3.221 5.701 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.657 -2.350 5.030 1.00 0.00 C ATOM 1348 C LEU A 88 -13.066 -1.174 5.898 1.00 0.00 C ATOM 1349 O LEU A 88 -13.189 -1.289 7.117 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.900 -3.125 4.590 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.769 -2.393 3.562 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -15.236 -3.345 2.474 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -15.959 -1.726 4.239 1.00 0.00 C ATOM 0 H LEU A 88 -12.113 -3.893 6.348 1.00 0.00 H new ATOM 0 HA LEU A 88 -12.152 -1.959 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -13.588 -4.081 4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -14.506 -3.346 5.469 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.161 -1.617 3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.851 -2.803 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.370 -3.768 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.822 -4.148 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.562 -1.212 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.565 -2.483 4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.602 -1.005 4.975 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.275 -0.039 5.243 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.673 1.182 5.930 1.00 0.00 C ATOM 1367 C VAL A 89 -14.798 1.891 5.184 1.00 0.00 C ATOM 1368 O VAL A 89 -14.899 1.801 3.958 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.488 2.157 6.085 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.600 1.738 7.247 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -11.687 2.242 4.790 1.00 0.00 C ATOM 0 H VAL A 89 -13.175 0.061 4.233 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.022 0.885 6.919 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.885 3.149 6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.769 2.438 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.182 1.740 8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.212 0.736 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -10.856 2.935 4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.300 1.255 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.332 2.597 3.986 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.646 2.591 5.930 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.764 3.312 5.337 1.00 0.00 C ATOM 1383 C HIS A 90 -16.307 4.667 4.803 1.00 0.00 C ATOM 1384 O HIS A 90 -15.491 5.345 5.426 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.872 3.516 6.374 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.876 2.405 6.412 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -19.641 2.114 7.523 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -19.246 1.511 5.466 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -20.435 1.091 7.258 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -20.214 0.708 6.014 1.00 0.00 N ATOM 0 H HIS A 90 -15.580 2.674 6.944 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.151 2.719 4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.419 3.618 7.360 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.388 4.452 6.161 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -18.851 1.442 4.463 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -21.143 0.645 7.941 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -20.686 -0.060 5.538 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.840 5.057 3.647 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.475 6.333 3.053 1.00 0.00 C ATOM 1401 C GLY A 91 -17.657 7.278 2.933 1.00 0.00 C ATOM 1402 O GLY A 91 -17.565 8.319 2.283 1.00 0.00 O ATOM 0 H GLY A 91 -17.517 4.513 3.112 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.699 6.802 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.049 6.161 2.064 1.00 0.00 H new ATOM 1406 N MET A 92 -18.771 6.919 3.567 1.00 0.00 N ATOM 1407 CA MET A 92 -19.974 7.740 3.534 1.00 0.00 C ATOM 1408 C MET A 92 -19.696 9.172 4.000 1.00 0.00 C ATOM 1409 O MET A 92 -20.162 10.128 3.379 1.00 0.00 O ATOM 1410 CB MET A 92 -21.066 7.115 4.403 1.00 0.00 C ATOM 1411 CG MET A 92 -22.472 7.411 3.911 1.00 0.00 C ATOM 1412 SD MET A 92 -22.901 9.158 4.043 1.00 0.00 S ATOM 1413 CE MET A 92 -24.565 9.048 4.697 1.00 0.00 C ATOM 0 H MET A 92 -18.863 6.061 4.111 1.00 0.00 H new ATOM 0 HA MET A 92 -20.313 7.783 2.499 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.920 6.035 4.436 1.00 0.00 H new ATOM 0 HB3 MET A 92 -20.962 7.482 5.424 1.00 0.00 H new ATOM 0 HG2 MET A 92 -22.563 7.096 2.871 1.00 0.00 H new ATOM 0 HG3 MET A 92 -23.186 6.821 4.486 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.969 10.051 4.835 1.00 0.00 H new ATOM 0 HE2 MET A 92 -25.194 8.496 3.999 1.00 0.00 H new ATOM 0 HE3 MET A 92 -24.546 8.530 5.656 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.941 9.352 5.103 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.630 10.686 5.625 1.00 0.00 C ATOM 1425 C PRO A 93 -17.631 11.437 4.756 1.00 0.00 C ATOM 1426 O PRO A 93 -17.706 12.657 4.620 1.00 0.00 O ATOM 1427 CB PRO A 93 -18.030 10.399 7.003 1.00 0.00 C ATOM 1428 CG PRO A 93 -17.454 9.030 6.888 1.00 0.00 C ATOM 1429 CD PRO A 93 -18.340 8.283 5.928 1.00 0.00 C ATOM 0 HA PRO A 93 -19.513 11.324 5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.264 11.130 7.261 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.790 10.444 7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.428 9.068 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.428 8.536 7.859 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.770 7.581 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -19.101 7.706 6.452 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.688 10.704 4.179 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.668 11.310 3.333 1.00 0.00 C ATOM 1439 C PHE A 94 -16.253 11.765 1.997 1.00 0.00 C ATOM 1440 O PHE A 94 -15.860 12.801 1.460 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.529 10.320 3.102 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.203 10.980 2.857 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -12.788 12.050 3.636 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.372 10.529 1.849 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.566 12.654 3.410 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.151 11.129 1.621 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.747 12.193 2.403 1.00 0.00 C ATOM 0 H PHE A 94 -16.608 9.692 4.281 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.281 12.191 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.445 9.665 3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -14.775 9.688 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.426 12.415 4.427 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.682 9.698 1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.253 13.487 4.022 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.511 10.766 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.791 12.663 2.225 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.193 10.989 1.465 1.00 0.00 N ATOM 1458 CA VAL A 95 -17.831 11.322 0.193 1.00 0.00 C ATOM 1459 C VAL A 95 -18.782 12.507 0.346 1.00 0.00 C ATOM 1460 O VAL A 95 -19.103 13.188 -0.628 1.00 0.00 O ATOM 1461 CB VAL A 95 -18.609 10.118 -0.374 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -19.140 10.429 -1.766 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -17.729 8.875 -0.396 1.00 0.00 C ATOM 0 H VAL A 95 -17.530 10.127 1.893 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.035 11.590 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.460 9.921 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -19.686 9.566 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -19.808 11.289 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -18.307 10.655 -2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -18.295 8.035 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -16.856 9.058 -1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -17.405 8.641 0.618 1.00 0.00 H new ATOM 1473 N SER A 96 -19.229 12.748 1.577 1.00 0.00 N ATOM 1474 CA SER A 96 -20.143 13.850 1.865 1.00 0.00 C ATOM 1475 C SER A 96 -19.595 15.172 1.336 1.00 0.00 C ATOM 1476 O SER A 96 -20.342 16.012 0.835 1.00 0.00 O ATOM 1477 CB SER A 96 -20.378 13.953 3.372 1.00 0.00 C ATOM 1478 OG SER A 96 -20.943 15.206 3.718 1.00 0.00 O ATOM 0 H SER A 96 -18.972 12.193 2.393 1.00 0.00 H new ATOM 0 HA SER A 96 -21.088 13.646 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 96 -21.041 13.150 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.434 13.818 3.900 1.00 0.00 H new ATOM 0 HG SER A 96 -21.084 15.245 4.687 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.285 15.346 1.454 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.656 16.565 0.987 1.00 0.00 C ATOM 1486 C GLY A 97 -17.531 17.618 2.073 1.00 0.00 C ATOM 1487 O GLY A 97 -16.885 18.648 1.873 1.00 0.00 O ATOM 0 H GLY A 97 -17.647 14.664 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.665 16.331 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.235 16.972 0.158 1.00 0.00 H new ATOM 1491 N VAL A 98 -18.151 17.368 3.222 1.00 0.00 N ATOM 1492 CA VAL A 98 -18.105 18.309 4.336 1.00 0.00 C ATOM 1493 C VAL A 98 -17.286 17.766 5.505 1.00 0.00 C ATOM 1494 O VAL A 98 -17.096 18.455 6.508 1.00 0.00 O ATOM 1495 CB VAL A 98 -19.521 18.651 4.831 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.476 19.788 5.838 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -20.423 19.002 3.658 1.00 0.00 C ATOM 0 H VAL A 98 -18.691 16.522 3.406 1.00 0.00 H new ATOM 0 HA VAL A 98 -17.623 19.212 3.961 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.934 17.774 5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.487 20.015 6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -18.865 19.494 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.043 20.672 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -21.421 19.241 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.014 19.864 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -20.481 18.153 2.977 1.00 0.00 H new ATOM 1507 N GLY A 99 -16.800 16.534 5.375 1.00 0.00 N ATOM 1508 CA GLY A 99 -16.004 15.935 6.432 1.00 0.00 C ATOM 1509 C GLY A 99 -14.618 15.534 5.963 1.00 0.00 C ATOM 1510 O GLY A 99 -13.906 14.813 6.661 1.00 0.00 O ATOM 0 H GLY A 99 -16.943 15.941 4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.914 16.640 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.521 15.057 6.818 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.234 16.000 4.777 1.00 0.00 N ATOM 1515 CA ILE A 100 -12.928 15.682 4.216 1.00 0.00 C ATOM 1516 C ILE A 100 -11.802 16.266 5.062 1.00 0.00 C ATOM 1517 O ILE A 100 -10.856 15.568 5.418 1.00 0.00 O ATOM 1518 CB ILE A 100 -12.794 16.217 2.774 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.847 15.585 1.864 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.399 15.954 2.228 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.148 16.412 0.634 1.00 0.00 C ATOM 0 H ILE A 100 -14.811 16.600 4.187 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.846 14.595 4.209 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.957 17.294 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.504 14.598 1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.767 15.440 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.328 16.339 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.662 16.453 2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.206 14.881 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.903 15.907 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.520 17.391 0.936 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.238 16.535 0.047 1.00 0.00 H new ATOM 1533 N GLU A 101 -11.906 17.553 5.370 1.00 0.00 N ATOM 1534 CA GLU A 101 -10.889 18.236 6.163 1.00 0.00 C ATOM 1535 C GLU A 101 -10.542 17.451 7.426 1.00 0.00 C ATOM 1536 O GLU A 101 -9.368 17.271 7.750 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.369 19.639 6.536 1.00 0.00 C ATOM 1538 CG GLU A 101 -10.828 20.726 5.623 1.00 0.00 C ATOM 1539 CD GLU A 101 -11.768 21.047 4.477 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -12.233 20.099 3.808 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -12.040 22.244 4.248 1.00 0.00 O ATOM 0 H GLU A 101 -12.685 18.146 5.083 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.987 18.310 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.458 19.661 6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.071 19.856 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.650 21.630 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.865 20.411 5.221 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.565 16.989 8.135 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.357 16.228 9.361 1.00 0.00 C ATOM 1550 C ALA A 102 -10.854 14.819 9.064 1.00 0.00 C ATOM 1551 O ALA A 102 -9.929 14.334 9.716 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.641 16.179 10.176 1.00 0.00 C ATOM 0 H ALA A 102 -12.544 17.127 7.883 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.589 16.735 9.945 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.471 15.608 11.089 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.947 17.193 10.434 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.426 15.701 9.590 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.464 14.162 8.080 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.060 12.807 7.715 1.00 0.00 C ATOM 1560 C LEU A 103 -9.633 12.793 7.183 1.00 0.00 C ATOM 1561 O LEU A 103 -8.840 11.921 7.533 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.012 12.215 6.669 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.663 10.890 7.075 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -14.132 11.100 7.417 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -12.509 9.842 5.977 1.00 0.00 C ATOM 0 H LEU A 103 -12.232 14.541 7.526 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.105 12.194 8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.797 12.941 6.460 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -11.462 12.064 5.740 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.151 10.520 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -14.579 10.148 7.703 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -14.216 11.804 8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -14.655 11.499 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.981 8.912 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -12.986 10.199 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -11.450 9.666 5.788 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.312 13.769 6.341 1.00 0.00 N ATOM 1578 CA GLN A 104 -7.981 13.879 5.756 1.00 0.00 C ATOM 1579 C GLN A 104 -6.897 13.757 6.822 1.00 0.00 C ATOM 1580 O GLN A 104 -6.002 12.919 6.719 1.00 0.00 O ATOM 1581 CB GLN A 104 -7.852 15.220 5.030 1.00 0.00 C ATOM 1582 CG GLN A 104 -6.620 15.333 4.151 1.00 0.00 C ATOM 1583 CD GLN A 104 -6.415 16.736 3.622 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -5.526 17.458 4.072 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -7.240 17.127 2.658 1.00 0.00 N ATOM 0 H GLN A 104 -9.960 14.500 6.047 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.847 13.062 5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -8.739 15.375 4.416 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.832 16.021 5.769 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.741 15.031 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.710 14.641 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -7.962 16.493 2.317 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -7.151 18.061 2.259 1.00 0.00 H new ATOM 1594 N ASN A 105 -6.987 14.599 7.845 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.015 14.587 8.930 1.00 0.00 C ATOM 1596 C ASN A 105 -5.899 13.192 9.549 1.00 0.00 C ATOM 1597 O ASN A 105 -4.804 12.756 9.909 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.398 15.618 9.996 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.451 16.804 10.012 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -4.355 16.730 10.566 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.872 17.906 9.399 1.00 0.00 N ATOM 0 H ASN A 105 -7.723 15.298 7.945 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.041 14.853 8.519 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.414 15.968 9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.398 15.142 10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -5.278 18.735 9.375 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.789 17.923 8.952 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.025 12.491 9.663 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.031 11.146 10.234 1.00 0.00 C ATOM 1610 C LYS A 106 -6.313 10.157 9.314 1.00 0.00 C ATOM 1611 O LYS A 106 -5.585 9.277 9.779 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.469 10.679 10.486 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.876 10.715 11.951 1.00 0.00 C ATOM 1614 CD LYS A 106 -8.813 12.127 12.515 1.00 0.00 C ATOM 1615 CE LYS A 106 -7.653 12.293 13.486 1.00 0.00 C ATOM 1616 NZ LYS A 106 -8.061 13.010 14.727 1.00 0.00 N ATOM 0 H LYS A 106 -7.941 12.830 9.369 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.498 11.181 11.184 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.151 11.307 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -8.582 9.662 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.888 10.325 12.058 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.220 10.063 12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.709 12.841 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.749 12.358 13.023 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.257 11.312 13.748 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.848 12.842 12.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -7.241 13.101 15.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.416 13.956 14.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.811 12.473 15.207 1.00 0.00 H new ATOM 1630 N ILE A 107 -6.522 10.303 8.006 1.00 0.00 N ATOM 1631 CA ILE A 107 -5.892 9.415 7.033 1.00 0.00 C ATOM 1632 C ILE A 107 -4.371 9.523 7.087 1.00 0.00 C ATOM 1633 O ILE A 107 -3.682 8.527 7.302 1.00 0.00 O ATOM 1634 CB ILE A 107 -6.356 9.705 5.591 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.882 9.810 5.518 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -5.854 8.622 4.648 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.611 8.605 6.077 1.00 0.00 C ATOM 0 H ILE A 107 -7.119 11.023 7.599 1.00 0.00 H new ATOM 0 HA ILE A 107 -6.200 8.405 7.305 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.935 10.662 5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.201 10.699 6.062 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -8.177 9.950 4.478 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -6.189 8.839 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -4.765 8.594 4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.249 7.655 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.687 8.757 5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.323 7.714 5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.348 8.475 7.127 1.00 0.00 H new ATOM 1649 N LEU A 108 -3.846 10.731 6.883 1.00 0.00 N ATOM 1650 CA LEU A 108 -2.399 10.940 6.904 1.00 0.00 C ATOM 1651 C LEU A 108 -1.780 10.384 8.184 1.00 0.00 C ATOM 1652 O LEU A 108 -0.734 9.740 8.144 1.00 0.00 O ATOM 1653 CB LEU A 108 -2.047 12.425 6.743 1.00 0.00 C ATOM 1654 CG LEU A 108 -2.784 13.398 7.668 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -2.016 13.586 8.968 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -2.980 14.737 6.972 1.00 0.00 C ATOM 0 H LEU A 108 -4.395 11.572 6.703 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.981 10.397 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.976 12.543 6.905 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.247 12.715 5.711 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.762 12.978 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.555 14.281 9.612 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.916 12.626 9.474 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.026 13.987 8.751 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.505 15.421 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.009 15.158 6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.567 14.593 6.065 1.00 0.00 H new ATOM 1668 N THR A 109 -2.429 10.629 9.319 1.00 0.00 N ATOM 1669 CA THR A 109 -1.925 10.140 10.598 1.00 0.00 C ATOM 1670 C THR A 109 -1.716 8.628 10.565 1.00 0.00 C ATOM 1671 O THR A 109 -0.714 8.120 11.070 1.00 0.00 O ATOM 1672 CB THR A 109 -2.888 10.506 11.728 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.100 11.906 11.774 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.399 10.071 13.093 1.00 0.00 C ATOM 0 H THR A 109 -3.298 11.159 9.379 1.00 0.00 H new ATOM 0 HA THR A 109 -0.962 10.618 10.781 1.00 0.00 H new ATOM 0 HB THR A 109 -3.813 9.975 11.503 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.883 12.136 11.232 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.128 10.361 13.850 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.273 8.988 13.106 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.444 10.550 13.307 1.00 0.00 H new ATOM 1682 N ILE A 110 -2.665 7.911 9.969 1.00 0.00 N ATOM 1683 CA ILE A 110 -2.574 6.458 9.876 1.00 0.00 C ATOM 1684 C ILE A 110 -1.701 6.039 8.699 1.00 0.00 C ATOM 1685 O ILE A 110 -0.985 5.042 8.766 1.00 0.00 O ATOM 1686 CB ILE A 110 -3.970 5.818 9.723 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -4.880 6.246 10.875 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -3.863 4.299 9.667 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -6.354 6.105 10.565 1.00 0.00 C ATOM 0 H ILE A 110 -3.502 8.311 9.545 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.122 6.106 10.803 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.406 6.165 8.786 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -4.643 5.649 11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.668 7.285 11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.858 3.868 9.559 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -3.247 4.009 8.816 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.407 3.932 10.586 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -6.939 6.426 11.426 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -6.606 6.724 9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -6.581 5.063 10.341 1.00 0.00 H new ATOM 1701 N LEU A 111 -1.778 6.803 7.618 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.007 6.511 6.417 1.00 0.00 C ATOM 1703 C LEU A 111 0.454 6.922 6.583 1.00 0.00 C ATOM 1704 O LEU A 111 1.299 6.586 5.753 1.00 0.00 O ATOM 1705 CB LEU A 111 -1.626 7.231 5.217 1.00 0.00 C ATOM 1706 CG LEU A 111 -2.876 6.571 4.617 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -2.484 5.439 3.680 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.821 6.059 5.704 1.00 0.00 C ATOM 0 H LEU A 111 -2.368 7.632 7.548 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.033 5.435 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.883 8.246 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.870 7.312 4.436 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.408 7.333 4.047 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.383 4.983 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.869 5.833 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.919 4.688 4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.694 5.599 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.304 5.321 6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.140 6.892 6.331 1.00 0.00 H new ATOM 1720 N GLN A 112 0.744 7.648 7.660 1.00 0.00 N ATOM 1721 CA GLN A 112 2.102 8.102 7.936 1.00 0.00 C ATOM 1722 C GLN A 112 2.799 7.195 8.949 1.00 0.00 C ATOM 1723 O GLN A 112 3.976 7.386 9.254 1.00 0.00 O ATOM 1724 CB GLN A 112 2.078 9.537 8.462 1.00 0.00 C ATOM 1725 CG GLN A 112 1.940 10.582 7.369 1.00 0.00 C ATOM 1726 CD GLN A 112 2.529 11.918 7.770 1.00 0.00 C ATOM 1727 OE1 GLN A 112 3.258 12.544 7.001 1.00 0.00 O ATOM 1728 NE2 GLN A 112 2.215 12.361 8.981 1.00 0.00 N ATOM 0 H GLN A 112 0.055 7.934 8.356 1.00 0.00 H new ATOM 0 HA GLN A 112 2.663 8.063 7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 112 1.250 9.645 9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.995 9.726 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 112 2.435 10.226 6.465 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.886 10.711 7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 112 1.607 11.808 9.585 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.582 13.255 9.308 1.00 0.00 H new ATOM 1737 N GLY A 113 2.070 6.212 9.470 1.00 0.00 N ATOM 1738 CA GLY A 113 2.642 5.299 10.442 1.00 0.00 C ATOM 1739 C GLY A 113 2.174 5.589 11.855 1.00 0.00 C ATOM 1740 O GLY A 113 2.973 6.132 12.646 1.00 0.00 O ATOM 1741 OXT GLY A 113 1.007 5.273 12.170 1.00 0.00 O ATOM 0 H GLY A 113 1.094 6.032 9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.375 4.276 10.177 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.729 5.365 10.402 1.00 0.00 H new TER 1745 GLY A 113