USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ 171:sc= 1.84 (180deg=0.594) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0.638 USER MOD Set 2.1: A 3 SER OG : rot 78:sc= 1.86 USER MOD Set 2.2: A 80 THR OG1 : rot 176:sc= 1.4 USER MOD Single : A 2 ASN : amide:sc= -0.028 X(o=-0.028,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= 1.17 (180deg=1.06) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.665 K(o=0.66,f=-5.2!) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.1) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -1.54! (180deg=-2.94!) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 THR OG1 : rot -150:sc=-0.00876 USER MOD Single : A 46 TYR OH : rot 180:sc= -1.41 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 1.14 (180deg=1.12) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0344 F(o=-1.1!,f=-0.034) USER MOD Single : A 88 THR OG1 : rot 136:sc= 1.32 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 165:sc= -0.0522 (180deg=-0.283) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.650 -9.991 -5.449 1.00 0.00 N ATOM 21 CA ASN A 2 81.738 -10.319 -6.358 1.00 0.00 C ATOM 22 C ASN A 2 82.351 -9.039 -6.892 1.00 0.00 C ATOM 23 O ASN A 2 81.806 -7.954 -6.684 1.00 0.00 O ATOM 24 CB ASN A 2 81.245 -11.185 -7.525 1.00 0.00 C ATOM 25 CG ASN A 2 80.984 -12.624 -7.124 1.00 0.00 C ATOM 26 OD1 ASN A 2 79.888 -12.969 -6.685 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.985 -13.476 -7.291 1.00 0.00 N ATOM 0 HA ASN A 2 82.487 -10.888 -5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.329 -10.754 -7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 2 81.986 -11.165 -8.324 1.00 0.00 H new ATOM 0 HD21 ASN A 2 81.862 -14.460 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 2 82.878 -13.148 -7.658 1.00 0.00 H new ATOM 34 N SER A 3 83.468 -9.166 -7.588 1.00 0.00 N ATOM 35 CA SER A 3 84.150 -8.016 -8.163 1.00 0.00 C ATOM 36 C SER A 3 83.248 -7.320 -9.182 1.00 0.00 C ATOM 37 O SER A 3 83.243 -6.094 -9.287 1.00 0.00 O ATOM 38 CB SER A 3 85.456 -8.469 -8.813 1.00 0.00 C ATOM 39 OG SER A 3 86.173 -9.324 -7.937 1.00 0.00 O ATOM 0 H SER A 3 83.925 -10.059 -7.770 1.00 0.00 H new ATOM 0 HA SER A 3 84.381 -7.301 -7.373 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.244 -8.990 -9.747 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.065 -7.601 -9.064 1.00 0.00 H new ATOM 0 HG SER A 3 85.779 -10.221 -7.961 1.00 0.00 H new ATOM 45 N GLU A 4 82.471 -8.119 -9.910 1.00 0.00 N ATOM 46 CA GLU A 4 81.493 -7.591 -10.854 1.00 0.00 C ATOM 47 C GLU A 4 80.442 -6.766 -10.116 1.00 0.00 C ATOM 48 O GLU A 4 80.064 -5.681 -10.555 1.00 0.00 O ATOM 49 CB GLU A 4 80.827 -8.741 -11.614 1.00 0.00 C ATOM 50 CG GLU A 4 79.728 -8.293 -12.562 1.00 0.00 C ATOM 51 CD GLU A 4 79.090 -9.451 -13.296 1.00 0.00 C ATOM 52 OE1 GLU A 4 78.296 -10.188 -12.679 1.00 0.00 O ATOM 53 OE2 GLU A 4 79.379 -9.635 -14.497 1.00 0.00 O ATOM 0 H GLU A 4 82.501 -9.137 -9.863 1.00 0.00 H new ATOM 0 HA GLU A 4 82.003 -6.946 -11.569 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.587 -9.278 -12.181 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.409 -9.446 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 4 78.963 -7.758 -12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.141 -7.591 -13.286 1.00 0.00 H new ATOM 60 N VAL A 5 80.002 -7.286 -8.974 1.00 0.00 N ATOM 61 CA VAL A 5 79.018 -6.610 -8.138 1.00 0.00 C ATOM 62 C VAL A 5 79.540 -5.250 -7.683 1.00 0.00 C ATOM 63 O VAL A 5 78.810 -4.258 -7.689 1.00 0.00 O ATOM 64 CB VAL A 5 78.668 -7.460 -6.898 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.650 -6.753 -6.019 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.156 -8.829 -7.316 1.00 0.00 C ATOM 0 H VAL A 5 80.316 -8.183 -8.604 1.00 0.00 H new ATOM 0 HA VAL A 5 78.119 -6.470 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 5 79.579 -7.595 -6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.422 -7.375 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.059 -5.800 -5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.738 -6.576 -6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.915 -9.414 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.261 -8.712 -7.928 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.924 -9.345 -7.892 1.00 0.00 H new ATOM 76 N ILE A 6 80.813 -5.214 -7.300 1.00 0.00 N ATOM 77 CA ILE A 6 81.450 -3.976 -6.872 1.00 0.00 C ATOM 78 C ILE A 6 81.464 -2.964 -8.012 1.00 0.00 C ATOM 79 O ILE A 6 81.182 -1.784 -7.805 1.00 0.00 O ATOM 80 CB ILE A 6 82.893 -4.224 -6.378 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.888 -5.223 -5.217 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.550 -2.916 -5.952 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.268 -5.568 -4.704 1.00 0.00 C ATOM 0 H ILE A 6 81.424 -6.031 -7.278 1.00 0.00 H new ATOM 0 HA ILE A 6 80.868 -3.577 -6.041 1.00 0.00 H new ATOM 0 HB ILE A 6 83.473 -4.644 -7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.298 -4.811 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.391 -6.138 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.565 -3.114 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.581 -2.232 -6.800 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.974 -2.466 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.183 -6.280 -3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.855 -6.010 -5.509 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.761 -4.663 -4.350 1.00 0.00 H new ATOM 95 N LYS A 7 81.769 -3.439 -9.217 1.00 0.00 N ATOM 96 CA LYS A 7 81.790 -2.583 -10.398 1.00 0.00 C ATOM 97 C LYS A 7 80.440 -1.908 -10.602 1.00 0.00 C ATOM 98 O LYS A 7 80.363 -0.687 -10.752 1.00 0.00 O ATOM 99 CB LYS A 7 82.157 -3.391 -11.642 1.00 0.00 C ATOM 100 CG LYS A 7 83.569 -3.946 -11.616 1.00 0.00 C ATOM 101 CD LYS A 7 83.892 -4.700 -12.894 1.00 0.00 C ATOM 102 CE LYS A 7 85.366 -5.048 -12.968 1.00 0.00 C ATOM 103 NZ LYS A 7 85.722 -5.697 -14.256 1.00 0.00 N ATOM 0 H LYS A 7 82.005 -4.414 -9.400 1.00 0.00 H new ATOM 0 HA LYS A 7 82.546 -1.814 -10.240 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.454 -4.217 -11.748 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.041 -2.759 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.280 -3.130 -11.484 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.684 -4.611 -10.760 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.297 -5.612 -12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.615 -4.094 -13.757 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.959 -4.142 -12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.623 -5.713 -12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.756 -5.703 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.367 -6.675 -14.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 85.292 -5.168 -15.042 1.00 0.00 H new ATOM 117 N GLU A 8 79.380 -2.710 -10.595 1.00 0.00 N ATOM 118 CA GLU A 8 78.028 -2.191 -10.754 1.00 0.00 C ATOM 119 C GLU A 8 77.699 -1.212 -9.637 1.00 0.00 C ATOM 120 O GLU A 8 77.223 -0.110 -9.891 1.00 0.00 O ATOM 121 CB GLU A 8 77.006 -3.325 -10.751 1.00 0.00 C ATOM 122 CG GLU A 8 77.266 -4.393 -11.796 1.00 0.00 C ATOM 123 CD GLU A 8 76.143 -5.402 -11.874 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.806 -6.005 -10.837 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.573 -5.577 -12.973 1.00 0.00 O ATOM 0 H GLU A 8 79.432 -3.722 -10.481 1.00 0.00 H new ATOM 0 HA GLU A 8 77.980 -1.674 -11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 8 76.998 -3.790 -9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.013 -2.906 -10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.397 -3.921 -12.770 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.198 -4.907 -11.563 1.00 0.00 H new ATOM 132 N PHE A 9 77.983 -1.620 -8.405 1.00 0.00 N ATOM 133 CA PHE A 9 77.701 -0.802 -7.230 1.00 0.00 C ATOM 134 C PHE A 9 78.357 0.573 -7.350 1.00 0.00 C ATOM 135 O PHE A 9 77.747 1.592 -7.025 1.00 0.00 O ATOM 136 CB PHE A 9 78.192 -1.515 -5.966 1.00 0.00 C ATOM 137 CG PHE A 9 77.891 -0.780 -4.688 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.586 -0.646 -4.242 1.00 0.00 C ATOM 139 CD2 PHE A 9 78.914 -0.230 -3.929 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.305 0.021 -3.066 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.639 0.436 -2.750 1.00 0.00 C ATOM 142 CZ PHE A 9 77.332 0.563 -2.318 1.00 0.00 C ATOM 0 H PHE A 9 78.412 -2.521 -8.193 1.00 0.00 H new ATOM 0 HA PHE A 9 76.623 -0.658 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.736 -2.504 -5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.269 -1.664 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 9 75.778 -1.069 -4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 9 79.937 -0.323 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.283 0.119 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.444 0.857 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.114 1.085 -1.398 1.00 0.00 H new ATOM 152 N LEU A 10 79.591 0.596 -7.837 1.00 0.00 N ATOM 153 CA LEU A 10 80.323 1.844 -7.998 1.00 0.00 C ATOM 154 C LEU A 10 79.651 2.745 -9.026 1.00 0.00 C ATOM 155 O LEU A 10 79.515 3.947 -8.806 1.00 0.00 O ATOM 156 CB LEU A 10 81.775 1.570 -8.393 1.00 0.00 C ATOM 157 CG LEU A 10 82.610 0.868 -7.320 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.010 0.589 -7.831 1.00 0.00 C ATOM 159 CD2 LEU A 10 82.662 1.708 -6.053 1.00 0.00 C ATOM 0 H LEU A 10 80.105 -0.236 -8.127 1.00 0.00 H new ATOM 0 HA LEU A 10 80.317 2.363 -7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 10 81.782 0.960 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.253 2.517 -8.644 1.00 0.00 H new ATOM 0 HG LEU A 10 82.136 -0.084 -7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.588 0.090 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 10 83.955 -0.052 -8.711 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.494 1.529 -8.096 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.260 1.194 -5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.112 2.675 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 10 81.651 1.857 -5.674 1.00 0.00 H new ATOM 171 N GLU A 11 79.209 2.166 -10.138 1.00 0.00 N ATOM 172 CA GLU A 11 78.518 2.938 -11.165 1.00 0.00 C ATOM 173 C GLU A 11 77.133 3.355 -10.682 1.00 0.00 C ATOM 174 O GLU A 11 76.649 4.437 -11.015 1.00 0.00 O ATOM 175 CB GLU A 11 78.398 2.148 -12.469 1.00 0.00 C ATOM 176 CG GLU A 11 79.735 1.786 -13.093 1.00 0.00 C ATOM 177 CD GLU A 11 79.602 1.391 -14.549 1.00 0.00 C ATOM 178 OE1 GLU A 11 78.885 0.411 -14.842 1.00 0.00 O ATOM 179 OE2 GLU A 11 80.195 2.075 -15.411 1.00 0.00 O ATOM 0 H GLU A 11 79.315 1.174 -10.350 1.00 0.00 H new ATOM 0 HA GLU A 11 79.111 3.831 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 11 77.837 1.233 -12.278 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.820 2.732 -13.185 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.414 2.635 -13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.183 0.964 -12.535 1.00 0.00 H new ATOM 186 N ASP A 12 76.501 2.492 -9.892 1.00 0.00 N ATOM 187 CA ASP A 12 75.211 2.808 -9.285 1.00 0.00 C ATOM 188 C ASP A 12 75.328 4.030 -8.387 1.00 0.00 C ATOM 189 O ASP A 12 74.414 4.849 -8.324 1.00 0.00 O ATOM 190 CB ASP A 12 74.667 1.626 -8.475 1.00 0.00 C ATOM 191 CG ASP A 12 73.899 0.628 -9.322 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.812 0.985 -9.829 1.00 0.00 O ATOM 193 OD2 ASP A 12 74.358 -0.524 -9.460 1.00 0.00 O ATOM 0 H ASP A 12 76.861 1.567 -9.657 1.00 0.00 H new ATOM 0 HA ASP A 12 74.513 3.020 -10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.497 1.116 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 12 74.015 2.003 -7.687 1.00 0.00 H new ATOM 198 N ILE A 13 76.450 4.144 -7.687 1.00 0.00 N ATOM 199 CA ILE A 13 76.728 5.323 -6.878 1.00 0.00 C ATOM 200 C ILE A 13 77.100 6.498 -7.780 1.00 0.00 C ATOM 201 O ILE A 13 76.646 7.623 -7.579 1.00 0.00 O ATOM 202 CB ILE A 13 77.886 5.074 -5.882 1.00 0.00 C ATOM 203 CG1 ILE A 13 77.565 3.908 -4.944 1.00 0.00 C ATOM 204 CG2 ILE A 13 78.179 6.329 -5.071 1.00 0.00 C ATOM 205 CD1 ILE A 13 78.679 3.605 -3.963 1.00 0.00 C ATOM 0 H ILE A 13 77.182 3.434 -7.664 1.00 0.00 H new ATOM 0 HA ILE A 13 75.825 5.550 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 13 78.772 4.816 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 13 76.654 4.136 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 13 77.362 3.017 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.996 6.131 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 13 78.462 7.139 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 13 77.289 6.616 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 13 78.387 2.769 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 13 79.585 3.346 -4.510 1.00 0.00 H new ATOM 0 HD13 ILE A 13 78.867 4.482 -3.344 1.00 0.00 H new ATOM 217 N GLY A 14 77.905 6.213 -8.792 1.00 0.00 N ATOM 218 CA GLY A 14 78.402 7.253 -9.667 1.00 0.00 C ATOM 219 C GLY A 14 79.879 7.498 -9.453 1.00 0.00 C ATOM 220 O GLY A 14 80.391 8.583 -9.733 1.00 0.00 O ATOM 0 H GLY A 14 78.225 5.273 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.225 6.972 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.849 8.175 -9.488 1.00 0.00 H new ATOM 224 N GLU A 15 80.563 6.481 -8.949 1.00 0.00 N ATOM 225 CA GLU A 15 81.988 6.566 -8.673 1.00 0.00 C ATOM 226 C GLU A 15 82.786 5.859 -9.758 1.00 0.00 C ATOM 227 O GLU A 15 82.216 5.312 -10.704 1.00 0.00 O ATOM 228 CB GLU A 15 82.304 5.946 -7.311 1.00 0.00 C ATOM 229 CG GLU A 15 81.746 6.734 -6.139 1.00 0.00 C ATOM 230 CD GLU A 15 82.300 8.140 -6.081 1.00 0.00 C ATOM 231 OE1 GLU A 15 83.475 8.335 -6.448 1.00 0.00 O ATOM 232 OE2 GLU A 15 81.562 9.062 -5.680 1.00 0.00 O ATOM 0 H GLU A 15 80.147 5.578 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 15 82.270 7.619 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 15 81.903 4.933 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 15 83.385 5.864 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 15 80.660 6.776 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 15 81.980 6.214 -5.210 1.00 0.00 H new ATOM 239 N ASP A 16 84.101 5.864 -9.613 1.00 0.00 N ATOM 240 CA ASP A 16 84.979 5.236 -10.589 1.00 0.00 C ATOM 241 C ASP A 16 85.935 4.282 -9.881 1.00 0.00 C ATOM 242 O ASP A 16 85.977 4.240 -8.649 1.00 0.00 O ATOM 243 CB ASP A 16 85.767 6.305 -11.352 1.00 0.00 C ATOM 244 CG ASP A 16 86.112 5.885 -12.767 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.837 4.888 -12.946 1.00 0.00 O ATOM 246 OD2 ASP A 16 85.667 6.567 -13.714 1.00 0.00 O ATOM 0 H ASP A 16 84.586 6.297 -8.827 1.00 0.00 H new ATOM 0 HA ASP A 16 84.377 4.672 -11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 16 85.184 7.226 -11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 16 86.686 6.528 -10.810 1.00 0.00 H new ATOM 251 N TYR A 17 86.705 3.532 -10.653 1.00 0.00 N ATOM 252 CA TYR A 17 87.634 2.559 -10.103 1.00 0.00 C ATOM 253 C TYR A 17 88.725 2.239 -11.113 1.00 0.00 C ATOM 254 O TYR A 17 88.464 2.143 -12.314 1.00 0.00 O ATOM 255 CB TYR A 17 86.900 1.275 -9.689 1.00 0.00 C ATOM 256 CG TYR A 17 86.205 0.549 -10.827 1.00 0.00 C ATOM 257 CD1 TYR A 17 84.988 0.999 -11.329 1.00 0.00 C ATOM 258 CD2 TYR A 17 86.766 -0.588 -11.395 1.00 0.00 C ATOM 259 CE1 TYR A 17 84.352 0.336 -12.361 1.00 0.00 C ATOM 260 CE2 TYR A 17 86.136 -1.257 -12.427 1.00 0.00 C ATOM 261 CZ TYR A 17 84.930 -0.790 -12.906 1.00 0.00 C ATOM 262 OH TYR A 17 84.300 -1.452 -13.935 1.00 0.00 O ATOM 0 H TYR A 17 86.704 3.580 -11.672 1.00 0.00 H new ATOM 0 HA TYR A 17 88.093 2.992 -9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.616 0.596 -9.226 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.160 1.524 -8.929 1.00 0.00 H new ATOM 0 HD1 TYR A 17 84.533 1.882 -10.905 1.00 0.00 H new ATOM 0 HD2 TYR A 17 87.711 -0.955 -11.023 1.00 0.00 H new ATOM 0 HE1 TYR A 17 83.407 0.698 -12.738 1.00 0.00 H new ATOM 0 HE2 TYR A 17 86.585 -2.140 -12.856 1.00 0.00 H new ATOM 0 HH TYR A 17 84.839 -2.224 -14.206 1.00 0.00 H new ATOM 272 N ILE A 18 89.944 2.077 -10.629 1.00 0.00 N ATOM 273 CA ILE A 18 91.066 1.759 -11.494 1.00 0.00 C ATOM 274 C ILE A 18 91.336 0.258 -11.476 1.00 0.00 C ATOM 275 O ILE A 18 91.892 -0.275 -10.512 1.00 0.00 O ATOM 276 CB ILE A 18 92.342 2.520 -11.069 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.081 4.031 -11.067 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.504 2.177 -11.996 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.245 4.852 -10.552 1.00 0.00 C ATOM 0 H ILE A 18 90.182 2.161 -9.641 1.00 0.00 H new ATOM 0 HA ILE A 18 90.803 2.071 -12.505 1.00 0.00 H new ATOM 0 HB ILE A 18 92.611 2.213 -10.058 1.00 0.00 H new ATOM 0 HG12 ILE A 18 91.844 4.351 -12.082 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.203 4.238 -10.454 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.394 2.722 -11.681 1.00 0.00 H new ATOM 0 HG22 ILE A 18 93.700 1.106 -11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.249 2.458 -13.018 1.00 0.00 H new ATOM 0 HD11 ILE A 18 92.985 5.910 -10.581 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.469 4.561 -9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.120 4.676 -11.178 1.00 0.00 H new ATOM 291 N GLU A 19 90.919 -0.419 -12.532 1.00 0.00 N ATOM 292 CA GLU A 19 91.103 -1.856 -12.639 1.00 0.00 C ATOM 293 C GLU A 19 92.436 -2.176 -13.298 1.00 0.00 C ATOM 294 O GLU A 19 92.682 -1.800 -14.447 1.00 0.00 O ATOM 295 CB GLU A 19 89.968 -2.494 -13.442 1.00 0.00 C ATOM 296 CG GLU A 19 90.167 -3.983 -13.683 1.00 0.00 C ATOM 297 CD GLU A 19 89.147 -4.569 -14.634 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.183 -4.224 -15.835 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.311 -5.376 -14.186 1.00 0.00 O ATOM 0 H GLU A 19 90.449 0.006 -13.331 1.00 0.00 H new ATOM 0 HA GLU A 19 91.094 -2.269 -11.630 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.027 -2.341 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 19 89.881 -1.986 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.167 -4.150 -14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.113 -4.510 -12.731 1.00 0.00 H new ATOM 306 N LEU A 20 93.288 -2.856 -12.557 1.00 0.00 N ATOM 307 CA LEU A 20 94.559 -3.330 -13.071 1.00 0.00 C ATOM 308 C LEU A 20 94.562 -4.854 -13.051 1.00 0.00 C ATOM 309 O LEU A 20 93.510 -5.473 -12.877 1.00 0.00 O ATOM 310 CB LEU A 20 95.716 -2.782 -12.230 1.00 0.00 C ATOM 311 CG LEU A 20 95.809 -1.254 -12.163 1.00 0.00 C ATOM 312 CD1 LEU A 20 96.992 -0.827 -11.310 1.00 0.00 C ATOM 313 CD2 LEU A 20 95.919 -0.662 -13.560 1.00 0.00 C ATOM 0 H LEU A 20 93.119 -3.096 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 20 94.692 -2.978 -14.094 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.621 -3.169 -11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.652 -3.169 -12.633 1.00 0.00 H new ATOM 0 HG LEU A 20 94.897 -0.876 -11.700 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.041 0.261 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 20 96.872 -1.218 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.913 -1.218 -11.743 1.00 0.00 H new ATOM 0 HD21 LEU A 20 95.984 0.424 -13.491 1.00 0.00 H new ATOM 0 HD22 LEU A 20 96.813 -1.049 -14.050 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.039 -0.937 -14.142 1.00 0.00 H new ATOM 325 N GLU A 21 95.729 -5.457 -13.221 1.00 0.00 N ATOM 326 CA GLU A 21 95.833 -6.909 -13.232 1.00 0.00 C ATOM 327 C GLU A 21 95.517 -7.493 -11.855 1.00 0.00 C ATOM 328 O GLU A 21 96.338 -7.435 -10.941 1.00 0.00 O ATOM 329 CB GLU A 21 97.226 -7.345 -13.689 1.00 0.00 C ATOM 330 CG GLU A 21 97.569 -6.900 -15.101 1.00 0.00 C ATOM 331 CD GLU A 21 96.525 -7.327 -16.114 1.00 0.00 C ATOM 332 OE1 GLU A 21 96.311 -8.548 -16.278 1.00 0.00 O ATOM 333 OE2 GLU A 21 95.914 -6.446 -16.752 1.00 0.00 O ATOM 0 H GLU A 21 96.614 -4.967 -13.353 1.00 0.00 H new ATOM 0 HA GLU A 21 95.098 -7.293 -13.940 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.968 -6.942 -13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.295 -8.431 -13.632 1.00 0.00 H new ATOM 0 HG2 GLU A 21 97.669 -5.815 -15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 21 98.536 -7.315 -15.384 1.00 0.00 H new ATOM 340 N ASN A 22 94.297 -8.018 -11.723 1.00 0.00 N ATOM 341 CA ASN A 22 93.821 -8.666 -10.492 1.00 0.00 C ATOM 342 C ASN A 22 93.730 -7.674 -9.333 1.00 0.00 C ATOM 343 O ASN A 22 93.612 -8.068 -8.172 1.00 0.00 O ATOM 344 CB ASN A 22 94.716 -9.851 -10.095 1.00 0.00 C ATOM 345 CG ASN A 22 94.813 -10.907 -11.179 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.939 -11.764 -11.313 1.00 0.00 O ATOM 347 ND2 ASN A 22 95.891 -10.872 -11.946 1.00 0.00 N ATOM 0 H ASN A 22 93.604 -8.007 -12.471 1.00 0.00 H new ATOM 0 HA ASN A 22 92.820 -9.043 -10.704 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.715 -9.483 -9.863 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.325 -10.306 -9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 22 96.019 -11.571 -12.678 1.00 0.00 H new ATOM 0 HD22 ASN A 22 96.594 -10.146 -11.805 1.00 0.00 H new ATOM 354 N GLU A 23 93.757 -6.388 -9.657 1.00 0.00 N ATOM 355 CA GLU A 23 93.694 -5.340 -8.648 1.00 0.00 C ATOM 356 C GLU A 23 92.676 -4.275 -9.021 1.00 0.00 C ATOM 357 O GLU A 23 92.704 -3.735 -10.122 1.00 0.00 O ATOM 358 CB GLU A 23 95.061 -4.677 -8.466 1.00 0.00 C ATOM 359 CG GLU A 23 96.013 -5.451 -7.577 1.00 0.00 C ATOM 360 CD GLU A 23 97.367 -4.783 -7.463 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.427 -3.614 -7.015 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.374 -5.414 -7.839 1.00 0.00 O ATOM 0 H GLU A 23 93.822 -6.045 -10.615 1.00 0.00 H new ATOM 0 HA GLU A 23 93.390 -5.812 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.522 -4.545 -9.445 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.917 -3.682 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.576 -5.553 -6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.140 -6.458 -7.975 1.00 0.00 H new ATOM 369 N ILE A 24 91.784 -3.976 -8.098 1.00 0.00 N ATOM 370 CA ILE A 24 90.865 -2.866 -8.261 1.00 0.00 C ATOM 371 C ILE A 24 91.250 -1.758 -7.292 1.00 0.00 C ATOM 372 O ILE A 24 91.070 -1.885 -6.084 1.00 0.00 O ATOM 373 CB ILE A 24 89.396 -3.278 -8.017 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.988 -4.402 -8.974 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.474 -2.077 -8.191 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.568 -4.892 -8.772 1.00 0.00 C ATOM 0 H ILE A 24 91.675 -4.489 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 24 90.938 -2.521 -9.292 1.00 0.00 H new ATOM 0 HB ILE A 24 89.305 -3.644 -6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.099 -4.051 -10.000 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.673 -5.240 -8.848 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.442 -2.382 -8.016 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.749 -1.301 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.571 -1.688 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.353 -5.687 -9.486 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.456 -5.275 -7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.873 -4.067 -8.927 1.00 0.00 H new ATOM 388 N HIS A 25 91.823 -0.694 -7.817 1.00 0.00 N ATOM 389 CA HIS A 25 92.255 0.417 -6.986 1.00 0.00 C ATOM 390 C HIS A 25 91.103 1.389 -6.797 1.00 0.00 C ATOM 391 O HIS A 25 90.617 1.989 -7.759 1.00 0.00 O ATOM 392 CB HIS A 25 93.471 1.118 -7.603 1.00 0.00 C ATOM 393 CG HIS A 25 94.724 0.287 -7.590 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.984 0.829 -7.699 1.00 0.00 N ATOM 395 CD2 HIS A 25 94.907 -1.052 -7.491 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.885 -0.134 -7.667 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.258 -1.287 -7.540 1.00 0.00 N ATOM 0 H HIS A 25 92.001 -0.573 -8.814 1.00 0.00 H new ATOM 0 HA HIS A 25 92.556 0.035 -6.010 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.238 1.390 -8.632 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.656 2.046 -7.062 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.132 -1.797 -7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.955 -0.001 -7.734 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.704 -2.203 -7.487 1.00 0.00 H new ATOM 406 N LEU A 26 90.658 1.519 -5.558 1.00 0.00 N ATOM 407 CA LEU A 26 89.479 2.309 -5.244 1.00 0.00 C ATOM 408 C LEU A 26 89.857 3.702 -4.758 1.00 0.00 C ATOM 409 O LEU A 26 90.995 3.949 -4.351 1.00 0.00 O ATOM 410 CB LEU A 26 88.641 1.597 -4.176 1.00 0.00 C ATOM 411 CG LEU A 26 87.213 1.219 -4.592 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.395 2.460 -4.912 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.234 0.274 -5.783 1.00 0.00 C ATOM 0 H LEU A 26 91.099 1.084 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 26 88.894 2.416 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.164 0.689 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.586 2.239 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 26 86.741 0.707 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.387 2.166 -5.204 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.345 3.100 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.866 3.005 -5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.212 0.018 -6.062 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.729 0.759 -6.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.776 -0.634 -5.518 1.00 0.00 H new ATOM 425 N LYS A 27 88.892 4.605 -4.823 1.00 0.00 N ATOM 426 CA LYS A 27 89.052 5.945 -4.289 1.00 0.00 C ATOM 427 C LYS A 27 88.976 5.889 -2.766 1.00 0.00 C ATOM 428 O LYS A 27 88.062 5.272 -2.217 1.00 0.00 O ATOM 429 CB LYS A 27 87.963 6.861 -4.854 1.00 0.00 C ATOM 430 CG LYS A 27 87.980 6.946 -6.374 1.00 0.00 C ATOM 431 CD LYS A 27 86.757 7.666 -6.923 1.00 0.00 C ATOM 432 CE LYS A 27 86.698 9.120 -6.476 1.00 0.00 C ATOM 433 NZ LYS A 27 85.532 9.827 -7.065 1.00 0.00 N ATOM 0 H LYS A 27 87.980 4.430 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 27 90.022 6.348 -4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 27 86.988 6.500 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.087 7.861 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.881 7.467 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.026 5.940 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.770 7.623 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.855 7.150 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 27 86.640 9.165 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.617 9.628 -6.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 85.615 10.847 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.508 9.662 -8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 84.655 9.467 -6.636 1.00 0.00 H new ATOM 447 N PRO A 28 89.941 6.525 -2.076 1.00 0.00 N ATOM 448 CA PRO A 28 90.080 6.460 -0.612 1.00 0.00 C ATOM 449 C PRO A 28 88.761 6.583 0.151 1.00 0.00 C ATOM 450 O PRO A 28 88.455 5.755 1.011 1.00 0.00 O ATOM 451 CB PRO A 28 90.986 7.649 -0.304 1.00 0.00 C ATOM 452 CG PRO A 28 91.849 7.776 -1.510 1.00 0.00 C ATOM 453 CD PRO A 28 90.995 7.365 -2.682 1.00 0.00 C ATOM 0 HA PRO A 28 90.470 5.492 -0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.407 8.556 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.580 7.475 0.593 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.206 8.799 -1.628 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.730 7.139 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.572 8.231 -3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.572 6.810 -3.422 1.00 0.00 H new ATOM 461 N GLU A 29 87.974 7.599 -0.176 1.00 0.00 N ATOM 462 CA GLU A 29 86.741 7.866 0.555 1.00 0.00 C ATOM 463 C GLU A 29 85.642 6.872 0.188 1.00 0.00 C ATOM 464 O GLU A 29 84.824 6.501 1.029 1.00 0.00 O ATOM 465 CB GLU A 29 86.269 9.294 0.293 1.00 0.00 C ATOM 466 CG GLU A 29 87.275 10.343 0.732 1.00 0.00 C ATOM 467 CD GLU A 29 86.765 11.752 0.544 1.00 0.00 C ATOM 468 OE1 GLU A 29 86.951 12.316 -0.552 1.00 0.00 O ATOM 469 OE2 GLU A 29 86.176 12.307 1.496 1.00 0.00 O ATOM 0 H GLU A 29 88.165 8.249 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 29 86.954 7.748 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.068 9.415 -0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 29 85.327 9.461 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 29 87.522 10.187 1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 29 88.197 10.216 0.165 1.00 0.00 H new ATOM 476 N VAL A 30 85.640 6.426 -1.059 1.00 0.00 N ATOM 477 CA VAL A 30 84.615 5.502 -1.532 1.00 0.00 C ATOM 478 C VAL A 30 84.861 4.106 -0.970 1.00 0.00 C ATOM 479 O VAL A 30 83.919 3.381 -0.644 1.00 0.00 O ATOM 480 CB VAL A 30 84.578 5.438 -3.073 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.387 4.623 -3.556 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.549 6.839 -3.663 1.00 0.00 C ATOM 0 H VAL A 30 86.333 6.686 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 30 83.652 5.873 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 30 85.485 4.940 -3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.384 4.593 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.458 3.608 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.464 5.083 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.523 6.775 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.662 7.365 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.441 7.383 -3.353 1.00 0.00 H new ATOM 492 N PHE A 31 86.135 3.753 -0.840 1.00 0.00 N ATOM 493 CA PHE A 31 86.538 2.454 -0.303 1.00 0.00 C ATOM 494 C PHE A 31 85.915 2.216 1.070 1.00 0.00 C ATOM 495 O PHE A 31 85.492 1.105 1.386 1.00 0.00 O ATOM 496 CB PHE A 31 88.064 2.384 -0.212 1.00 0.00 C ATOM 497 CG PHE A 31 88.592 1.083 0.330 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.660 -0.042 -0.476 1.00 0.00 C ATOM 499 CD2 PHE A 31 89.024 0.989 1.643 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.149 -1.236 0.019 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.515 -0.201 2.143 1.00 0.00 C ATOM 502 CZ PHE A 31 89.578 -1.316 1.330 1.00 0.00 C ATOM 0 H PHE A 31 86.916 4.355 -1.102 1.00 0.00 H new ATOM 0 HA PHE A 31 86.182 1.674 -0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.484 2.548 -1.205 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.416 3.198 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.327 0.015 -1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.976 1.857 2.284 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.196 -2.106 -0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.849 -0.260 3.168 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.962 -2.248 1.718 1.00 0.00 H new ATOM 512 N TYR A 32 85.847 3.275 1.868 1.00 0.00 N ATOM 513 CA TYR A 32 85.273 3.201 3.206 1.00 0.00 C ATOM 514 C TYR A 32 83.817 2.735 3.157 1.00 0.00 C ATOM 515 O TYR A 32 83.390 1.906 3.965 1.00 0.00 O ATOM 516 CB TYR A 32 85.370 4.569 3.889 1.00 0.00 C ATOM 517 CG TYR A 32 84.813 4.599 5.295 1.00 0.00 C ATOM 518 CD1 TYR A 32 85.604 4.258 6.385 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.496 4.970 5.532 1.00 0.00 C ATOM 520 CE1 TYR A 32 85.098 4.288 7.671 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.984 5.003 6.813 1.00 0.00 C ATOM 522 CZ TYR A 32 83.787 4.661 7.877 1.00 0.00 C ATOM 523 OH TYR A 32 83.275 4.695 9.153 1.00 0.00 O ATOM 0 H TYR A 32 86.185 4.202 1.609 1.00 0.00 H new ATOM 0 HA TYR A 32 85.839 2.470 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.416 4.875 3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.839 5.304 3.284 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.631 3.965 6.225 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.862 5.237 4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 32 85.725 4.021 8.509 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.958 5.296 6.980 1.00 0.00 H new ATOM 0 HH TYR A 32 82.338 4.980 9.122 1.00 0.00 H new ATOM 533 N GLU A 33 83.059 3.257 2.200 1.00 0.00 N ATOM 534 CA GLU A 33 81.650 2.908 2.080 1.00 0.00 C ATOM 535 C GLU A 33 81.480 1.542 1.428 1.00 0.00 C ATOM 536 O GLU A 33 80.529 0.817 1.728 1.00 0.00 O ATOM 537 CB GLU A 33 80.887 3.976 1.296 1.00 0.00 C ATOM 538 CG GLU A 33 80.922 5.344 1.958 1.00 0.00 C ATOM 539 CD GLU A 33 79.824 6.260 1.463 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.706 6.204 2.021 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.068 7.046 0.527 1.00 0.00 O ATOM 0 H GLU A 33 83.394 3.919 1.500 1.00 0.00 H new ATOM 0 HA GLU A 33 81.232 2.860 3.086 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.310 4.053 0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.850 3.662 1.181 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.830 5.223 3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.890 5.809 1.771 1.00 0.00 H new ATOM 548 N VAL A 34 82.406 1.187 0.542 1.00 0.00 N ATOM 549 CA VAL A 34 82.405 -0.137 -0.070 1.00 0.00 C ATOM 550 C VAL A 34 82.670 -1.199 0.993 1.00 0.00 C ATOM 551 O VAL A 34 82.061 -2.270 0.986 1.00 0.00 O ATOM 552 CB VAL A 34 83.460 -0.252 -1.196 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.476 -1.654 -1.789 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.193 0.778 -2.282 1.00 0.00 C ATOM 0 H VAL A 34 83.164 1.796 0.233 1.00 0.00 H new ATOM 0 HA VAL A 34 81.423 -0.295 -0.516 1.00 0.00 H new ATOM 0 HB VAL A 34 84.440 -0.056 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.226 -1.707 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.718 -2.376 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.495 -1.884 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.944 0.683 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.203 0.611 -2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.240 1.779 -1.853 1.00 0.00 H new ATOM 564 N TRP A 35 83.563 -0.878 1.921 1.00 0.00 N ATOM 565 CA TRP A 35 83.871 -1.760 3.040 1.00 0.00 C ATOM 566 C TRP A 35 82.610 -2.078 3.843 1.00 0.00 C ATOM 567 O TRP A 35 82.349 -3.235 4.178 1.00 0.00 O ATOM 568 CB TRP A 35 84.929 -1.111 3.939 1.00 0.00 C ATOM 569 CG TRP A 35 85.214 -1.876 5.196 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.549 -3.195 5.298 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.204 -1.359 6.531 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.739 -3.532 6.615 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.534 -2.423 7.393 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.946 -0.100 7.083 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.615 -2.265 8.773 1.00 0.00 C ATOM 576 CZ3 TRP A 35 85.025 0.054 8.455 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.357 -1.022 9.286 1.00 0.00 C ATOM 0 H TRP A 35 84.091 -0.005 1.920 1.00 0.00 H new ATOM 0 HA TRP A 35 84.266 -2.697 2.647 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.855 -1.003 3.374 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.599 -0.107 4.204 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.650 -3.874 4.464 1.00 0.00 H new ATOM 0 HE1 TRP A 35 85.992 -4.458 6.959 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.690 0.736 6.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.872 -3.093 9.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.827 1.021 8.893 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.411 -0.869 10.354 1.00 0.00 H new ATOM 588 N LYS A 36 81.809 -1.057 4.118 1.00 0.00 N ATOM 589 CA LYS A 36 80.588 -1.244 4.893 1.00 0.00 C ATOM 590 C LYS A 36 79.459 -1.798 4.023 1.00 0.00 C ATOM 591 O LYS A 36 78.346 -2.020 4.501 1.00 0.00 O ATOM 592 CB LYS A 36 80.158 0.068 5.552 1.00 0.00 C ATOM 593 CG LYS A 36 81.187 0.619 6.527 1.00 0.00 C ATOM 594 CD LYS A 36 80.647 1.793 7.337 1.00 0.00 C ATOM 595 CE LYS A 36 79.805 1.342 8.529 1.00 0.00 C ATOM 596 NZ LYS A 36 78.526 0.696 8.126 1.00 0.00 N ATOM 0 H LYS A 36 81.980 -0.097 3.819 1.00 0.00 H new ATOM 0 HA LYS A 36 80.801 -1.973 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.969 0.811 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 79.217 -0.090 6.079 1.00 0.00 H new ATOM 0 HG2 LYS A 36 81.502 -0.174 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 36 82.072 0.937 5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 36 81.480 2.399 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 36 80.044 2.430 6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 36 80.384 0.643 9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 36 79.587 2.204 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 77.816 0.837 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 78.186 1.121 7.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 78.681 -0.322 7.984 1.00 0.00 H new ATOM 610 N TYR A 37 79.747 -2.014 2.749 1.00 0.00 N ATOM 611 CA TYR A 37 78.796 -2.638 1.839 1.00 0.00 C ATOM 612 C TYR A 37 79.066 -4.132 1.723 1.00 0.00 C ATOM 613 O TYR A 37 78.142 -4.942 1.692 1.00 0.00 O ATOM 614 CB TYR A 37 78.858 -1.983 0.451 1.00 0.00 C ATOM 615 CG TYR A 37 78.164 -2.786 -0.631 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.781 -2.766 -0.764 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.897 -3.571 -1.514 1.00 0.00 C ATOM 618 CE1 TYR A 37 76.148 -3.508 -1.745 1.00 0.00 C ATOM 619 CE2 TYR A 37 78.271 -4.313 -2.497 1.00 0.00 C ATOM 620 CZ TYR A 37 76.899 -4.279 -2.608 1.00 0.00 C ATOM 621 OH TYR A 37 76.275 -5.026 -3.581 1.00 0.00 O ATOM 0 H TYR A 37 80.638 -1.765 2.319 1.00 0.00 H new ATOM 0 HA TYR A 37 77.796 -2.493 2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.404 -0.993 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.902 -1.840 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.191 -2.162 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.973 -3.601 -1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 37 75.072 -3.484 -1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.855 -4.917 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 37 75.445 -4.582 -3.852 1.00 0.00 H new ATOM 631 N VAL A 38 80.345 -4.493 1.684 1.00 0.00 N ATOM 632 CA VAL A 38 80.751 -5.877 1.440 1.00 0.00 C ATOM 633 C VAL A 38 80.697 -6.731 2.710 1.00 0.00 C ATOM 634 O VAL A 38 81.315 -7.794 2.777 1.00 0.00 O ATOM 635 CB VAL A 38 82.170 -5.947 0.831 1.00 0.00 C ATOM 636 CG1 VAL A 38 82.201 -5.271 -0.532 1.00 0.00 C ATOM 637 CG2 VAL A 38 83.199 -5.317 1.759 1.00 0.00 C ATOM 0 H VAL A 38 81.122 -3.846 1.818 1.00 0.00 H new ATOM 0 HA VAL A 38 80.034 -6.284 0.727 1.00 0.00 H new ATOM 0 HB VAL A 38 82.428 -6.999 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 38 83.208 -5.330 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.504 -5.773 -1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.913 -4.225 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 38 84.187 -5.381 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.945 -4.271 1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.203 -5.847 2.711 1.00 0.00 H new ATOM 647 N GLY A 39 79.947 -6.273 3.702 1.00 0.00 N ATOM 648 CA GLY A 39 79.771 -7.046 4.918 1.00 0.00 C ATOM 649 C GLY A 39 80.801 -6.721 5.979 1.00 0.00 C ATOM 650 O GLY A 39 81.008 -7.514 6.898 1.00 0.00 O ATOM 0 H GLY A 39 79.456 -5.379 3.688 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.774 -6.861 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.827 -8.108 4.678 1.00 0.00 H new ATOM 654 N GLU A 40 81.434 -5.550 5.839 1.00 0.00 N ATOM 655 CA GLU A 40 82.460 -5.054 6.773 1.00 0.00 C ATOM 656 C GLU A 40 83.369 -6.169 7.311 1.00 0.00 C ATOM 657 O GLU A 40 83.357 -6.478 8.505 1.00 0.00 O ATOM 658 CB GLU A 40 81.824 -4.256 7.929 1.00 0.00 C ATOM 659 CG GLU A 40 80.749 -5.006 8.705 1.00 0.00 C ATOM 660 CD GLU A 40 80.201 -4.209 9.867 1.00 0.00 C ATOM 661 OE1 GLU A 40 79.302 -3.374 9.645 1.00 0.00 O ATOM 662 OE2 GLU A 40 80.662 -4.421 11.008 1.00 0.00 O ATOM 0 H GLU A 40 81.248 -4.911 5.066 1.00 0.00 H new ATOM 0 HA GLU A 40 83.097 -4.382 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 40 82.611 -3.957 8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 40 81.390 -3.341 7.525 1.00 0.00 H new ATOM 0 HG2 GLU A 40 79.933 -5.263 8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 40 81.163 -5.943 9.076 1.00 0.00 H new ATOM 669 N PRO A 41 84.171 -6.792 6.433 1.00 0.00 N ATOM 670 CA PRO A 41 85.078 -7.864 6.825 1.00 0.00 C ATOM 671 C PRO A 41 86.387 -7.325 7.389 1.00 0.00 C ATOM 672 O PRO A 41 86.616 -6.111 7.405 1.00 0.00 O ATOM 673 CB PRO A 41 85.320 -8.596 5.507 1.00 0.00 C ATOM 674 CG PRO A 41 85.233 -7.531 4.468 1.00 0.00 C ATOM 675 CD PRO A 41 84.259 -6.502 4.988 1.00 0.00 C ATOM 0 HA PRO A 41 84.669 -8.495 7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.295 -9.082 5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.574 -9.374 5.342 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.211 -7.084 4.289 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.892 -7.943 3.518 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.614 -5.488 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.287 -6.591 4.503 1.00 0.00 H new ATOM 683 N GLU A 42 87.236 -8.226 7.857 1.00 0.00 N ATOM 684 CA GLU A 42 88.556 -7.848 8.329 1.00 0.00 C ATOM 685 C GLU A 42 89.435 -7.460 7.149 1.00 0.00 C ATOM 686 O GLU A 42 89.806 -8.302 6.331 1.00 0.00 O ATOM 687 CB GLU A 42 89.195 -8.995 9.117 1.00 0.00 C ATOM 688 CG GLU A 42 88.509 -9.277 10.444 1.00 0.00 C ATOM 689 CD GLU A 42 89.098 -10.474 11.161 1.00 0.00 C ATOM 690 OE1 GLU A 42 90.282 -10.420 11.556 1.00 0.00 O ATOM 691 OE2 GLU A 42 88.379 -11.476 11.345 1.00 0.00 O ATOM 0 H GLU A 42 87.034 -9.224 7.920 1.00 0.00 H new ATOM 0 HA GLU A 42 88.458 -6.991 8.995 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.175 -9.899 8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.243 -8.758 9.302 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.590 -8.399 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.447 -9.449 10.270 1.00 0.00 H new ATOM 698 N LEU A 43 89.745 -6.177 7.058 1.00 0.00 N ATOM 699 CA LEU A 43 90.554 -5.671 5.964 1.00 0.00 C ATOM 700 C LEU A 43 92.010 -6.072 6.139 1.00 0.00 C ATOM 701 O LEU A 43 92.604 -5.874 7.199 1.00 0.00 O ATOM 702 CB LEU A 43 90.435 -4.149 5.875 1.00 0.00 C ATOM 703 CG LEU A 43 89.072 -3.631 5.421 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.054 -2.112 5.422 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.737 -4.167 4.037 1.00 0.00 C ATOM 0 H LEU A 43 89.448 -5.468 7.729 1.00 0.00 H new ATOM 0 HA LEU A 43 90.185 -6.109 5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.660 -3.725 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.194 -3.780 5.185 1.00 0.00 H new ATOM 0 HG LEU A 43 88.315 -3.984 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.075 -1.760 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.254 -1.746 6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 43 89.819 -1.739 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 43 87.763 -3.789 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.496 -3.840 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.712 -5.256 4.065 1.00 0.00 H new ATOM 717 N LYS A 44 92.569 -6.643 5.087 1.00 0.00 N ATOM 718 CA LYS A 44 93.942 -7.111 5.101 1.00 0.00 C ATOM 719 C LYS A 44 94.870 -6.017 4.585 1.00 0.00 C ATOM 720 O LYS A 44 94.711 -5.527 3.471 1.00 0.00 O ATOM 721 CB LYS A 44 94.056 -8.380 4.249 1.00 0.00 C ATOM 722 CG LYS A 44 95.478 -8.877 4.040 1.00 0.00 C ATOM 723 CD LYS A 44 96.200 -9.132 5.349 1.00 0.00 C ATOM 724 CE LYS A 44 97.598 -9.680 5.109 1.00 0.00 C ATOM 725 NZ LYS A 44 98.379 -8.833 4.168 1.00 0.00 N ATOM 0 H LYS A 44 92.085 -6.795 4.202 1.00 0.00 H new ATOM 0 HA LYS A 44 94.239 -7.351 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.474 -9.172 4.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 93.605 -8.190 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 44 95.456 -9.797 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 44 96.035 -8.142 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 44 96.263 -8.205 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 44 95.628 -9.838 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 44 98.128 -9.748 6.059 1.00 0.00 H new ATOM 0 HE3 LYS A 44 97.526 -10.692 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 99.368 -9.154 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 97.973 -8.910 3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 98.342 -7.842 4.481 1.00 0.00 H new ATOM 739 N THR A 45 95.828 -5.627 5.405 1.00 0.00 N ATOM 740 CA THR A 45 96.757 -4.575 5.035 1.00 0.00 C ATOM 741 C THR A 45 98.107 -5.160 4.638 1.00 0.00 C ATOM 742 O THR A 45 98.444 -6.278 5.036 1.00 0.00 O ATOM 743 CB THR A 45 96.953 -3.577 6.195 1.00 0.00 C ATOM 744 OG1 THR A 45 97.352 -4.270 7.389 1.00 0.00 O ATOM 745 CG2 THR A 45 95.675 -2.803 6.469 1.00 0.00 C ATOM 0 H THR A 45 95.983 -6.023 6.332 1.00 0.00 H new ATOM 0 HA THR A 45 96.331 -4.047 4.182 1.00 0.00 H new ATOM 0 HB THR A 45 97.734 -2.876 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.027 -3.782 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 45 95.841 -2.107 7.291 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.387 -2.248 5.576 1.00 0.00 H new ATOM 0 HG23 THR A 45 94.879 -3.498 6.737 1.00 0.00 H new ATOM 753 N TYR A 46 98.865 -4.425 3.843 1.00 0.00 N ATOM 754 CA TYR A 46 100.220 -4.832 3.513 1.00 0.00 C ATOM 755 C TYR A 46 101.164 -3.655 3.678 1.00 0.00 C ATOM 756 O TYR A 46 100.783 -2.500 3.457 1.00 0.00 O ATOM 757 CB TYR A 46 100.314 -5.411 2.089 1.00 0.00 C ATOM 758 CG TYR A 46 100.234 -4.395 0.964 1.00 0.00 C ATOM 759 CD1 TYR A 46 99.015 -4.039 0.400 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.387 -3.810 0.450 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.948 -3.129 -0.639 1.00 0.00 C ATOM 762 CE2 TYR A 46 101.329 -2.903 -0.590 1.00 0.00 C ATOM 763 CZ TYR A 46 100.108 -2.565 -1.131 1.00 0.00 C ATOM 764 OH TYR A 46 100.045 -1.666 -2.171 1.00 0.00 O ATOM 0 H TYR A 46 98.568 -3.548 3.416 1.00 0.00 H new ATOM 0 HA TYR A 46 100.512 -5.626 4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.254 -5.955 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.512 -6.137 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.105 -4.480 0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.346 -4.070 0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.992 -2.861 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 46 102.236 -2.461 -0.977 1.00 0.00 H new ATOM 0 HH TYR A 46 100.949 -1.363 -2.396 1.00 0.00 H new ATOM 774 N VAL A 47 102.382 -3.945 4.087 1.00 0.00 N ATOM 775 CA VAL A 47 103.377 -2.913 4.298 1.00 0.00 C ATOM 776 C VAL A 47 104.313 -2.824 3.101 1.00 0.00 C ATOM 777 O VAL A 47 105.023 -3.779 2.778 1.00 0.00 O ATOM 778 CB VAL A 47 104.200 -3.167 5.578 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.228 -2.064 5.789 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.284 -3.283 6.787 1.00 0.00 C ATOM 0 H VAL A 47 102.708 -4.892 4.281 1.00 0.00 H new ATOM 0 HA VAL A 47 102.845 -1.969 4.416 1.00 0.00 H new ATOM 0 HB VAL A 47 104.734 -4.110 5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 47 105.796 -2.265 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 47 105.907 -2.031 4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.718 -1.105 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 47 103.882 -3.462 7.681 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.721 -2.358 6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.592 -4.113 6.641 1.00 0.00 H new ATOM 790 N ILE A 48 104.290 -1.685 2.435 1.00 0.00 N ATOM 791 CA ILE A 48 105.214 -1.418 1.355 1.00 0.00 C ATOM 792 C ILE A 48 106.308 -0.481 1.858 1.00 0.00 C ATOM 793 O ILE A 48 106.102 0.723 2.025 1.00 0.00 O ATOM 794 CB ILE A 48 104.501 -0.835 0.104 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.526 -0.387 -0.946 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.567 0.309 0.481 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.906 0.153 -2.218 1.00 0.00 C ATOM 0 H ILE A 48 103.636 -0.926 2.627 1.00 0.00 H new ATOM 0 HA ILE A 48 105.660 -2.361 1.037 1.00 0.00 H new ATOM 0 HB ILE A 48 103.891 -1.626 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 48 106.165 0.381 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 48 106.168 -1.232 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 48 103.084 0.695 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.808 -0.054 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.140 1.106 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.695 0.448 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.289 -0.619 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 48 104.287 1.019 -1.982 1.00 0.00 H new ATOM 809 N GLU A 49 107.457 -1.057 2.156 1.00 0.00 N ATOM 810 CA GLU A 49 108.554 -0.301 2.726 1.00 0.00 C ATOM 811 C GLU A 49 109.368 0.357 1.621 1.00 0.00 C ATOM 812 O GLU A 49 110.124 -0.303 0.904 1.00 0.00 O ATOM 813 CB GLU A 49 109.424 -1.215 3.586 1.00 0.00 C ATOM 814 CG GLU A 49 110.486 -0.477 4.376 1.00 0.00 C ATOM 815 CD GLU A 49 111.137 -1.353 5.422 1.00 0.00 C ATOM 816 OE1 GLU A 49 112.003 -2.175 5.061 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.789 -1.218 6.611 1.00 0.00 O ATOM 0 H GLU A 49 107.654 -2.047 2.012 1.00 0.00 H new ATOM 0 HA GLU A 49 108.155 0.488 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 49 108.785 -1.765 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 49 109.907 -1.952 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.249 -0.103 3.693 1.00 0.00 H new ATOM 0 HG3 GLU A 49 110.038 0.391 4.860 1.00 0.00 H new ATOM 1177 N LYS A 72 107.775 3.141 6.681 1.00 0.00 N ATOM 1178 CA LYS A 72 106.942 2.003 6.326 1.00 0.00 C ATOM 1179 C LYS A 72 105.573 2.490 5.870 1.00 0.00 C ATOM 1180 O LYS A 72 104.803 3.025 6.666 1.00 0.00 O ATOM 1181 CB LYS A 72 106.785 1.054 7.521 1.00 0.00 C ATOM 1182 CG LYS A 72 108.094 0.471 8.028 1.00 0.00 C ATOM 1183 CD LYS A 72 107.876 -0.368 9.277 1.00 0.00 C ATOM 1184 CE LYS A 72 109.186 -0.897 9.840 1.00 0.00 C ATOM 1185 NZ LYS A 72 109.833 -1.885 8.936 1.00 0.00 N ATOM 0 HA LYS A 72 107.423 1.460 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 72 106.299 1.591 8.336 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.122 0.237 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 72 108.547 -0.142 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 72 108.794 1.278 8.246 1.00 0.00 H new ATOM 0 HD2 LYS A 72 107.371 0.232 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 72 107.218 -1.204 9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 72 109.868 -0.064 10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 72 109.001 -1.361 10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 110.746 -2.178 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 109.217 -2.717 8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 109.989 -1.452 8.003 1.00 0.00 H new ATOM 1199 N ILE A 73 105.280 2.320 4.591 1.00 0.00 N ATOM 1200 CA ILE A 73 103.997 2.741 4.053 1.00 0.00 C ATOM 1201 C ILE A 73 103.003 1.590 4.135 1.00 0.00 C ATOM 1202 O ILE A 73 103.319 0.460 3.770 1.00 0.00 O ATOM 1203 CB ILE A 73 104.122 3.222 2.592 1.00 0.00 C ATOM 1204 CG1 ILE A 73 105.167 4.337 2.489 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.772 3.703 2.073 1.00 0.00 C ATOM 1206 CD1 ILE A 73 105.387 4.841 1.080 1.00 0.00 C ATOM 0 H ILE A 73 105.909 1.896 3.909 1.00 0.00 H new ATOM 0 HA ILE A 73 103.641 3.580 4.651 1.00 0.00 H new ATOM 0 HB ILE A 73 104.448 2.384 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.858 5.171 3.119 1.00 0.00 H new ATOM 0 HG13 ILE A 73 106.114 3.972 2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 73 102.877 4.039 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 73 102.053 2.885 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.419 4.530 2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 73 106.140 5.629 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 73 105.728 4.020 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 73 104.452 5.238 0.685 1.00 0.00 H new ATOM 1218 N LYS A 74 101.810 1.873 4.620 1.00 0.00 N ATOM 1219 CA LYS A 74 100.825 0.833 4.850 1.00 0.00 C ATOM 1220 C LYS A 74 99.590 1.056 3.985 1.00 0.00 C ATOM 1221 O LYS A 74 99.006 2.141 3.984 1.00 0.00 O ATOM 1222 CB LYS A 74 100.450 0.811 6.333 1.00 0.00 C ATOM 1223 CG LYS A 74 99.574 -0.361 6.739 1.00 0.00 C ATOM 1224 CD LYS A 74 99.411 -0.422 8.248 1.00 0.00 C ATOM 1225 CE LYS A 74 98.584 -1.620 8.671 1.00 0.00 C ATOM 1226 NZ LYS A 74 98.543 -1.779 10.147 1.00 0.00 N ATOM 0 H LYS A 74 101.499 2.814 4.862 1.00 0.00 H new ATOM 0 HA LYS A 74 101.252 -0.131 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 74 101.364 0.789 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 74 99.933 1.738 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 74 98.596 -0.269 6.267 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.015 -1.291 6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 74 100.393 -0.472 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 74 98.935 0.493 8.601 1.00 0.00 H new ATOM 0 HE2 LYS A 74 97.568 -1.511 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.998 -2.522 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 97.967 -2.610 10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 99.509 -1.909 10.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.124 -0.929 10.576 1.00 0.00 H new ATOM 1240 N LYS A 75 99.208 0.033 3.233 1.00 0.00 N ATOM 1241 CA LYS A 75 98.004 0.094 2.416 1.00 0.00 C ATOM 1242 C LYS A 75 97.061 -1.041 2.784 1.00 0.00 C ATOM 1243 O LYS A 75 97.485 -2.047 3.356 1.00 0.00 O ATOM 1244 CB LYS A 75 98.343 0.044 0.925 1.00 0.00 C ATOM 1245 CG LYS A 75 99.096 1.266 0.424 1.00 0.00 C ATOM 1246 CD LYS A 75 99.264 1.234 -1.085 1.00 0.00 C ATOM 1247 CE LYS A 75 100.007 2.458 -1.592 1.00 0.00 C ATOM 1248 NZ LYS A 75 100.152 2.444 -3.070 1.00 0.00 N ATOM 0 H LYS A 75 99.715 -0.850 3.172 1.00 0.00 H new ATOM 0 HA LYS A 75 97.508 1.044 2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.941 -0.846 0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.419 -0.060 0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.559 2.170 0.713 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.076 1.312 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.807 0.334 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.284 1.180 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 75 99.473 3.359 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 75 100.994 2.501 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.664 3.296 -3.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 100.683 1.598 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.210 2.429 -3.511 1.00 0.00 H new ATOM 1262 N VAL A 76 95.790 -0.878 2.457 1.00 0.00 N ATOM 1263 CA VAL A 76 94.772 -1.842 2.840 1.00 0.00 C ATOM 1264 C VAL A 76 94.043 -2.373 1.608 1.00 0.00 C ATOM 1265 O VAL A 76 93.856 -1.652 0.629 1.00 0.00 O ATOM 1266 CB VAL A 76 93.759 -1.212 3.827 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.041 -0.026 3.200 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.759 -2.245 4.318 1.00 0.00 C ATOM 0 H VAL A 76 95.437 -0.083 1.924 1.00 0.00 H new ATOM 0 HA VAL A 76 95.269 -2.674 3.339 1.00 0.00 H new ATOM 0 HB VAL A 76 94.322 -0.848 4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.337 0.394 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.770 0.734 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.501 -0.355 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.060 -1.775 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.211 -2.653 3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.288 -3.050 4.828 1.00 0.00 H new ATOM 1278 N TYR A 77 93.659 -3.640 1.653 1.00 0.00 N ATOM 1279 CA TYR A 77 92.937 -4.258 0.556 1.00 0.00 C ATOM 1280 C TYR A 77 92.061 -5.390 1.070 1.00 0.00 C ATOM 1281 O TYR A 77 92.215 -5.846 2.205 1.00 0.00 O ATOM 1282 CB TYR A 77 93.916 -4.799 -0.498 1.00 0.00 C ATOM 1283 CG TYR A 77 94.818 -5.911 0.004 1.00 0.00 C ATOM 1284 CD1 TYR A 77 96.020 -5.623 0.637 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.465 -7.247 -0.153 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.842 -6.632 1.102 1.00 0.00 C ATOM 1287 CE2 TYR A 77 95.280 -8.260 0.311 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.468 -7.947 0.938 1.00 0.00 C ATOM 1289 OH TYR A 77 97.281 -8.954 1.411 1.00 0.00 O ATOM 0 H TYR A 77 93.837 -4.261 2.442 1.00 0.00 H new ATOM 0 HA TYR A 77 92.305 -3.499 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.347 -5.166 -1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.536 -3.978 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.317 -4.593 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.537 -7.496 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.774 -6.390 1.592 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.989 -9.292 0.184 1.00 0.00 H new ATOM 0 HH TYR A 77 96.872 -9.823 1.216 1.00 0.00 H new ATOM 1299 N PHE A 78 91.137 -5.834 0.242 1.00 0.00 N ATOM 1300 CA PHE A 78 90.391 -7.043 0.527 1.00 0.00 C ATOM 1301 C PHE A 78 90.261 -7.863 -0.743 1.00 0.00 C ATOM 1302 O PHE A 78 90.168 -7.311 -1.842 1.00 0.00 O ATOM 1303 CB PHE A 78 89.013 -6.739 1.140 1.00 0.00 C ATOM 1304 CG PHE A 78 88.057 -5.990 0.248 1.00 0.00 C ATOM 1305 CD1 PHE A 78 88.044 -4.605 0.230 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.156 -6.674 -0.553 1.00 0.00 C ATOM 1307 CE1 PHE A 78 87.155 -3.917 -0.575 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.262 -5.991 -1.356 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.262 -4.610 -1.367 1.00 0.00 C ATOM 0 H PHE A 78 90.885 -5.376 -0.634 1.00 0.00 H new ATOM 0 HA PHE A 78 90.938 -7.620 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.548 -7.681 1.431 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.160 -6.161 2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.736 -4.056 0.852 1.00 0.00 H new ATOM 0 HD2 PHE A 78 87.152 -7.754 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.159 -2.837 -0.584 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.564 -6.537 -1.974 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.565 -4.074 -1.994 1.00 0.00 H new ATOM 1319 N GLU A 79 90.291 -9.174 -0.594 1.00 0.00 N ATOM 1320 CA GLU A 79 90.231 -10.067 -1.734 1.00 0.00 C ATOM 1321 C GLU A 79 88.834 -10.643 -1.875 1.00 0.00 C ATOM 1322 O GLU A 79 88.304 -11.256 -0.945 1.00 0.00 O ATOM 1323 CB GLU A 79 91.266 -11.185 -1.588 1.00 0.00 C ATOM 1324 CG GLU A 79 92.695 -10.671 -1.542 1.00 0.00 C ATOM 1325 CD GLU A 79 93.722 -11.775 -1.407 1.00 0.00 C ATOM 1326 OE1 GLU A 79 94.064 -12.405 -2.428 1.00 0.00 O ATOM 1327 OE2 GLU A 79 94.202 -12.013 -0.277 1.00 0.00 O ATOM 0 H GLU A 79 90.357 -9.645 0.309 1.00 0.00 H new ATOM 0 HA GLU A 79 90.463 -9.502 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 79 91.059 -11.747 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 79 91.162 -11.879 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.899 -10.103 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.800 -9.982 -0.704 1.00 0.00 H new ATOM 1334 N THR A 80 88.238 -10.420 -3.033 1.00 0.00 N ATOM 1335 CA THR A 80 86.890 -10.880 -3.310 1.00 0.00 C ATOM 1336 C THR A 80 86.859 -12.391 -3.520 1.00 0.00 C ATOM 1337 O THR A 80 87.898 -13.054 -3.491 1.00 0.00 O ATOM 1338 CB THR A 80 86.331 -10.183 -4.564 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.217 -10.395 -5.672 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.158 -8.690 -4.328 1.00 0.00 C ATOM 0 H THR A 80 88.674 -9.916 -3.805 1.00 0.00 H new ATOM 0 HA THR A 80 86.272 -10.630 -2.448 1.00 0.00 H new ATOM 0 HB THR A 80 85.354 -10.612 -4.786 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.827 -10.005 -6.482 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.762 -8.223 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.465 -8.530 -3.502 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.123 -8.246 -4.083 1.00 0.00 H new ATOM 1348 N LEU A 81 85.665 -12.930 -3.746 1.00 0.00 N ATOM 1349 CA LEU A 81 85.515 -14.349 -4.044 1.00 0.00 C ATOM 1350 C LEU A 81 86.207 -14.677 -5.361 1.00 0.00 C ATOM 1351 O LEU A 81 86.619 -15.812 -5.596 1.00 0.00 O ATOM 1352 CB LEU A 81 84.035 -14.746 -4.119 1.00 0.00 C ATOM 1353 CG LEU A 81 83.289 -14.824 -2.780 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.104 -13.445 -2.168 1.00 0.00 C ATOM 1355 CD2 LEU A 81 81.942 -15.506 -2.966 1.00 0.00 C ATOM 0 H LEU A 81 84.790 -12.407 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 81 85.979 -14.917 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.519 -14.029 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.965 -15.717 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 81 83.894 -15.416 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 81 82.572 -13.536 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.079 -12.990 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.528 -12.819 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.424 -15.555 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.341 -14.937 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.095 -16.516 -3.347 1.00 0.00 H new ATOM 1367 N ASP A 82 86.349 -13.660 -6.206 1.00 0.00 N ATOM 1368 CA ASP A 82 87.004 -13.810 -7.501 1.00 0.00 C ATOM 1369 C ASP A 82 88.518 -13.706 -7.335 1.00 0.00 C ATOM 1370 O ASP A 82 89.268 -13.833 -8.304 1.00 0.00 O ATOM 1371 CB ASP A 82 86.523 -12.729 -8.473 1.00 0.00 C ATOM 1372 CG ASP A 82 85.031 -12.479 -8.390 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.253 -13.231 -9.009 1.00 0.00 O ATOM 1374 OD2 ASP A 82 84.629 -11.521 -7.694 1.00 0.00 O ATOM 0 H ASP A 82 86.016 -12.715 -6.014 1.00 0.00 H new ATOM 0 HA ASP A 82 86.749 -14.790 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.054 -11.800 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 82 86.780 -13.023 -9.491 1.00 0.00 H new ATOM 1379 N ASN A 83 88.944 -13.459 -6.090 1.00 0.00 N ATOM 1380 CA ASN A 83 90.362 -13.347 -5.730 1.00 0.00 C ATOM 1381 C ASN A 83 90.974 -12.066 -6.280 1.00 0.00 C ATOM 1382 O ASN A 83 92.188 -11.971 -6.459 1.00 0.00 O ATOM 1383 CB ASN A 83 91.158 -14.571 -6.205 1.00 0.00 C ATOM 1384 CG ASN A 83 90.761 -15.853 -5.489 1.00 0.00 C ATOM 1385 OD1 ASN A 83 90.408 -15.749 -4.215 1.00 0.00 O flip ATOM 1386 ND2 ASN A 83 90.782 -16.934 -6.077 1.00 0.00 N flip ATOM 0 H ASN A 83 88.311 -13.331 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 83 90.417 -13.309 -4.642 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.010 -14.700 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.221 -14.389 -6.049 1.00 0.00 H new ATOM 0 HD21 ASN A 83 91.059 -16.976 -7.058 1.00 0.00 H new ATOM 0 HD22 ASN A 83 90.522 -17.788 -5.584 1.00 0.00 H new ATOM 1393 N VAL A 84 90.133 -11.071 -6.513 1.00 0.00 N ATOM 1394 CA VAL A 84 90.599 -9.773 -6.971 1.00 0.00 C ATOM 1395 C VAL A 84 90.891 -8.877 -5.772 1.00 0.00 C ATOM 1396 O VAL A 84 90.105 -8.821 -4.824 1.00 0.00 O ATOM 1397 CB VAL A 84 89.567 -9.092 -7.897 1.00 0.00 C ATOM 1398 CG1 VAL A 84 90.085 -7.752 -8.396 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.224 -10.001 -9.069 1.00 0.00 C ATOM 0 H VAL A 84 89.122 -11.138 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 84 91.512 -9.928 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 84 88.660 -8.910 -7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 84 89.340 -7.293 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 84 90.278 -7.097 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 84 91.009 -7.904 -8.954 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.496 -9.507 -9.712 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.127 -10.214 -9.641 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.803 -10.934 -8.695 1.00 0.00 H new ATOM 1409 N ARG A 85 92.028 -8.195 -5.811 1.00 0.00 N ATOM 1410 CA ARG A 85 92.463 -7.360 -4.698 1.00 0.00 C ATOM 1411 C ARG A 85 91.989 -5.925 -4.874 1.00 0.00 C ATOM 1412 O ARG A 85 92.462 -5.213 -5.760 1.00 0.00 O ATOM 1413 CB ARG A 85 93.995 -7.365 -4.562 1.00 0.00 C ATOM 1414 CG ARG A 85 94.597 -8.677 -4.074 1.00 0.00 C ATOM 1415 CD ARG A 85 94.501 -9.776 -5.119 1.00 0.00 C ATOM 1416 NE ARG A 85 95.168 -11.003 -4.692 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.191 -11.552 -5.347 1.00 0.00 C ATOM 1418 NH1 ARG A 85 96.693 -10.951 -6.420 1.00 0.00 N ATOM 1419 NH2 ARG A 85 96.726 -12.684 -4.917 1.00 0.00 N ATOM 0 H ARG A 85 92.669 -8.204 -6.605 1.00 0.00 H new ATOM 0 HA ARG A 85 92.022 -7.780 -3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.431 -7.122 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 85 94.286 -6.572 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 85 95.643 -8.519 -3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 85 94.084 -8.995 -3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 85 93.452 -9.988 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 85 94.946 -9.428 -6.051 1.00 0.00 H new ATOM 0 HE ARG A 85 94.833 -11.465 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 85 96.296 -10.069 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 85 97.476 -11.372 -6.921 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.355 -13.139 -4.082 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.509 -13.102 -5.420 1.00 0.00 H new ATOM 1433 N VAL A 86 91.051 -5.505 -4.043 1.00 0.00 N ATOM 1434 CA VAL A 86 90.622 -4.114 -4.027 1.00 0.00 C ATOM 1435 C VAL A 86 91.494 -3.334 -3.051 1.00 0.00 C ATOM 1436 O VAL A 86 91.331 -3.445 -1.838 1.00 0.00 O ATOM 1437 CB VAL A 86 89.136 -3.974 -3.635 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.697 -2.516 -3.685 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.259 -4.828 -4.541 1.00 0.00 C ATOM 0 H VAL A 86 90.572 -6.104 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 86 90.731 -3.712 -5.034 1.00 0.00 H new ATOM 0 HB VAL A 86 89.021 -4.329 -2.611 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.646 -2.443 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.299 -1.931 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.831 -2.130 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.215 -4.715 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.383 -4.507 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.551 -5.874 -4.449 1.00 0.00 H new ATOM 1449 N VAL A 87 92.433 -2.565 -3.590 1.00 0.00 N ATOM 1450 CA VAL A 87 93.458 -1.919 -2.776 1.00 0.00 C ATOM 1451 C VAL A 87 93.218 -0.416 -2.655 1.00 0.00 C ATOM 1452 O VAL A 87 92.799 0.239 -3.615 1.00 0.00 O ATOM 1453 CB VAL A 87 94.870 -2.152 -3.366 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.946 -1.644 -2.417 1.00 0.00 C ATOM 1455 CG2 VAL A 87 95.089 -3.624 -3.686 1.00 0.00 C ATOM 0 H VAL A 87 92.506 -2.373 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 87 93.397 -2.370 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 87 94.942 -1.587 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.929 -1.819 -2.854 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.809 -0.576 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.872 -2.173 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 87 96.088 -3.762 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.989 -4.213 -2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.347 -3.952 -4.414 1.00 0.00 H new ATOM 1465 N THR A 88 93.479 0.116 -1.469 1.00 0.00 N ATOM 1466 CA THR A 88 93.400 1.546 -1.211 1.00 0.00 C ATOM 1467 C THR A 88 94.412 1.929 -0.123 1.00 0.00 C ATOM 1468 O THR A 88 94.801 1.088 0.691 1.00 0.00 O ATOM 1469 CB THR A 88 91.968 1.948 -0.789 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.043 1.548 -1.807 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.845 3.448 -0.563 1.00 0.00 C ATOM 0 H THR A 88 93.753 -0.435 -0.656 1.00 0.00 H new ATOM 0 HA THR A 88 93.642 2.085 -2.127 1.00 0.00 H new ATOM 0 HB THR A 88 91.743 1.445 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.256 1.137 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.824 3.689 -0.268 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.532 3.755 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.091 3.976 -1.484 1.00 0.00 H new ATOM 1479 N ASP A 89 94.864 3.180 -0.130 1.00 0.00 N ATOM 1480 CA ASP A 89 95.837 3.649 0.855 1.00 0.00 C ATOM 1481 C ASP A 89 95.249 3.618 2.265 1.00 0.00 C ATOM 1482 O ASP A 89 94.175 4.169 2.516 1.00 0.00 O ATOM 1483 CB ASP A 89 96.303 5.063 0.514 1.00 0.00 C ATOM 1484 CG ASP A 89 97.305 5.591 1.518 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.500 5.261 1.396 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.899 6.333 2.432 1.00 0.00 O ATOM 0 H ASP A 89 94.573 3.887 -0.805 1.00 0.00 H new ATOM 0 HA ASP A 89 96.694 2.976 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.750 5.067 -0.480 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.441 5.729 0.478 1.00 0.00 H new ATOM 1491 N TYR A 90 95.966 2.985 3.185 1.00 0.00 N ATOM 1492 CA TYR A 90 95.465 2.789 4.540 1.00 0.00 C ATOM 1493 C TYR A 90 95.659 4.043 5.381 1.00 0.00 C ATOM 1494 O TYR A 90 94.903 4.282 6.319 1.00 0.00 O ATOM 1495 CB TYR A 90 96.158 1.592 5.200 1.00 0.00 C ATOM 1496 CG TYR A 90 95.647 1.265 6.588 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.424 0.633 6.770 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.395 1.579 7.715 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.961 0.322 8.035 1.00 0.00 C ATOM 1500 CE2 TYR A 90 95.939 1.274 8.983 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.723 0.646 9.139 1.00 0.00 C ATOM 1502 OH TYR A 90 94.270 0.332 10.402 1.00 0.00 O ATOM 0 H TYR A 90 96.895 2.599 3.018 1.00 0.00 H new ATOM 0 HA TYR A 90 94.396 2.584 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.031 0.717 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.228 1.792 5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.824 0.380 5.908 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.350 2.070 7.598 1.00 0.00 H new ATOM 0 HE1 TYR A 90 93.008 -0.172 8.159 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.534 1.527 9.848 1.00 0.00 H new ATOM 0 HH TYR A 90 94.926 0.627 11.068 1.00 0.00 H new ATOM 1512 N SER A 91 96.655 4.851 5.037 1.00 0.00 N ATOM 1513 CA SER A 91 96.916 6.083 5.767 1.00 0.00 C ATOM 1514 C SER A 91 95.723 7.025 5.638 1.00 0.00 C ATOM 1515 O SER A 91 95.278 7.623 6.620 1.00 0.00 O ATOM 1516 CB SER A 91 98.190 6.763 5.253 1.00 0.00 C ATOM 1517 OG SER A 91 98.455 7.965 5.961 1.00 0.00 O ATOM 0 H SER A 91 97.292 4.675 4.260 1.00 0.00 H new ATOM 0 HA SER A 91 97.065 5.838 6.819 1.00 0.00 H new ATOM 0 HB2 SER A 91 99.035 6.083 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.085 6.980 4.190 1.00 0.00 H new ATOM 0 HG SER A 91 99.274 8.376 5.613 1.00 0.00 H new ATOM 1523 N GLU A 92 95.197 7.142 4.430 1.00 0.00 N ATOM 1524 CA GLU A 92 94.022 7.965 4.197 1.00 0.00 C ATOM 1525 C GLU A 92 92.747 7.228 4.600 1.00 0.00 C ATOM 1526 O GLU A 92 91.718 7.853 4.851 1.00 0.00 O ATOM 1527 CB GLU A 92 93.971 8.427 2.741 1.00 0.00 C ATOM 1528 CG GLU A 92 95.014 9.493 2.441 1.00 0.00 C ATOM 1529 CD GLU A 92 95.095 9.866 0.978 1.00 0.00 C ATOM 1530 OE1 GLU A 92 94.141 10.479 0.458 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.139 9.576 0.351 1.00 0.00 O ATOM 0 H GLU A 92 95.563 6.679 3.598 1.00 0.00 H new ATOM 0 HA GLU A 92 94.093 8.853 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.129 7.572 2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.978 8.820 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 92 94.786 10.386 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 92 95.990 9.138 2.771 1.00 0.00 H new ATOM 1538 N PHE A 93 92.817 5.903 4.685 1.00 0.00 N ATOM 1539 CA PHE A 93 91.693 5.124 5.194 1.00 0.00 C ATOM 1540 C PHE A 93 91.524 5.351 6.697 1.00 0.00 C ATOM 1541 O PHE A 93 90.425 5.643 7.170 1.00 0.00 O ATOM 1542 CB PHE A 93 91.872 3.633 4.899 1.00 0.00 C ATOM 1543 CG PHE A 93 90.728 2.790 5.391 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.496 2.837 4.759 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.883 1.957 6.487 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.439 2.071 5.212 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.830 1.188 6.943 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.606 1.245 6.306 1.00 0.00 C ATOM 0 H PHE A 93 93.630 5.351 4.412 1.00 0.00 H new ATOM 0 HA PHE A 93 90.792 5.463 4.682 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.982 3.493 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.796 3.286 5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.360 3.480 3.902 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.837 1.908 6.990 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.483 2.118 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.964 0.542 7.798 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.782 0.645 6.662 1.00 0.00 H new ATOM 1558 N GLN A 94 92.620 5.228 7.448 1.00 0.00 N ATOM 1559 CA GLN A 94 92.582 5.467 8.888 1.00 0.00 C ATOM 1560 C GLN A 94 92.330 6.944 9.166 1.00 0.00 C ATOM 1561 O GLN A 94 91.857 7.315 10.237 1.00 0.00 O ATOM 1562 CB GLN A 94 93.881 5.011 9.566 1.00 0.00 C ATOM 1563 CG GLN A 94 95.121 5.749 9.090 1.00 0.00 C ATOM 1564 CD GLN A 94 96.370 5.324 9.832 1.00 0.00 C ATOM 1565 OE1 GLN A 94 97.047 4.378 9.437 1.00 0.00 O ATOM 1566 NE2 GLN A 94 96.695 6.030 10.901 1.00 0.00 N ATOM 0 H GLN A 94 93.537 4.966 7.085 1.00 0.00 H new ATOM 0 HA GLN A 94 91.765 4.879 9.306 1.00 0.00 H new ATOM 0 HB2 GLN A 94 93.783 5.145 10.643 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.016 3.944 9.389 1.00 0.00 H new ATOM 0 HG2 GLN A 94 95.258 5.572 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.973 6.821 9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 94 96.106 6.809 11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 94 97.535 5.796 11.431 1.00 0.00 H new ATOM 1575 N LYS A 95 92.652 7.774 8.185 1.00 0.00 N ATOM 1576 CA LYS A 95 92.343 9.194 8.234 1.00 0.00 C ATOM 1577 C LYS A 95 90.830 9.390 8.315 1.00 0.00 C ATOM 1578 O LYS A 95 90.331 10.171 9.127 1.00 0.00 O ATOM 1579 CB LYS A 95 92.917 9.867 6.986 1.00 0.00 C ATOM 1580 CG LYS A 95 92.604 11.343 6.846 1.00 0.00 C ATOM 1581 CD LYS A 95 93.204 11.887 5.562 1.00 0.00 C ATOM 1582 CE LYS A 95 92.855 13.345 5.341 1.00 0.00 C ATOM 1583 NZ LYS A 95 93.452 13.865 4.087 1.00 0.00 N ATOM 0 H LYS A 95 93.134 7.482 7.335 1.00 0.00 H new ATOM 0 HA LYS A 95 92.790 9.647 9.119 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.000 9.741 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.539 9.347 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.525 11.495 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.001 11.889 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.288 11.775 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 95 92.847 11.297 4.718 1.00 0.00 H new ATOM 0 HE2 LYS A 95 91.772 13.459 5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 95 93.208 13.936 6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 93.193 14.865 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 94.487 13.779 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 93.095 13.316 3.279 1.00 0.00 H new ATOM 1597 N ILE A 96 90.107 8.646 7.486 1.00 0.00 N ATOM 1598 CA ILE A 96 88.650 8.662 7.507 1.00 0.00 C ATOM 1599 C ILE A 96 88.135 8.025 8.796 1.00 0.00 C ATOM 1600 O ILE A 96 87.121 8.451 9.356 1.00 0.00 O ATOM 1601 CB ILE A 96 88.063 7.917 6.288 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.615 8.514 4.993 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.542 7.986 6.298 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.204 7.755 3.750 1.00 0.00 C ATOM 0 H ILE A 96 90.509 8.021 6.787 1.00 0.00 H new ATOM 0 HA ILE A 96 88.327 9.702 7.461 1.00 0.00 H new ATOM 0 HB ILE A 96 88.357 6.869 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.277 9.546 4.906 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.703 8.539 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.148 7.455 5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.163 7.524 7.210 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.225 9.028 6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.633 8.237 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.566 6.729 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.117 7.752 3.668 1.00 0.00 H new ATOM 1616 N LEU A 97 88.850 7.010 9.268 1.00 0.00 N ATOM 1617 CA LEU A 97 88.522 6.361 10.532 1.00 0.00 C ATOM 1618 C LEU A 97 88.603 7.358 11.686 1.00 0.00 C ATOM 1619 O LEU A 97 87.754 7.361 12.574 1.00 0.00 O ATOM 1620 CB LEU A 97 89.460 5.179 10.793 1.00 0.00 C ATOM 1621 CG LEU A 97 89.285 3.982 9.856 1.00 0.00 C ATOM 1622 CD1 LEU A 97 90.278 2.885 10.205 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.861 3.449 9.929 1.00 0.00 C ATOM 0 H LEU A 97 89.663 6.618 8.793 1.00 0.00 H new ATOM 0 HA LEU A 97 87.500 5.987 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 97 90.489 5.530 10.717 1.00 0.00 H new ATOM 0 HB3 LEU A 97 89.313 4.840 11.819 1.00 0.00 H new ATOM 0 HG LEU A 97 89.478 4.314 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 97 90.140 2.041 9.529 1.00 0.00 H new ATOM 0 HD12 LEU A 97 91.294 3.268 10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 97 90.113 2.558 11.232 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.756 2.598 9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.642 3.134 10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 97 87.163 4.233 9.634 1.00 0.00 H new ATOM 1635 N LYS A 98 89.627 8.204 11.669 1.00 0.00 N ATOM 1636 CA LYS A 98 89.772 9.257 12.673 1.00 0.00 C ATOM 1637 C LYS A 98 88.664 10.292 12.515 1.00 0.00 C ATOM 1638 O LYS A 98 88.125 10.804 13.497 1.00 0.00 O ATOM 1639 CB LYS A 98 91.135 9.942 12.540 1.00 0.00 C ATOM 1640 CG LYS A 98 92.319 9.027 12.796 1.00 0.00 C ATOM 1641 CD LYS A 98 92.378 8.577 14.246 1.00 0.00 C ATOM 1642 CE LYS A 98 93.572 7.670 14.499 1.00 0.00 C ATOM 1643 NZ LYS A 98 94.859 8.321 14.130 1.00 0.00 N ATOM 0 H LYS A 98 90.371 8.183 10.971 1.00 0.00 H new ATOM 0 HA LYS A 98 89.700 8.800 13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.223 10.359 11.537 1.00 0.00 H new ATOM 0 HB3 LYS A 98 91.179 10.778 13.238 1.00 0.00 H new ATOM 0 HG2 LYS A 98 92.252 8.154 12.147 1.00 0.00 H new ATOM 0 HG3 LYS A 98 93.242 9.546 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 98 92.438 9.449 14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 98 91.459 8.050 14.503 1.00 0.00 H new ATOM 0 HE2 LYS A 98 93.597 7.390 15.552 1.00 0.00 H new ATOM 0 HE3 LYS A 98 93.455 6.750 13.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 95.649 7.787 14.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 94.956 8.335 13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 94.871 9.296 14.492 1.00 0.00 H new ATOM 1657 N LYS A 99 88.336 10.584 11.266 1.00 0.00 N ATOM 1658 CA LYS A 99 87.303 11.554 10.928 1.00 0.00 C ATOM 1659 C LYS A 99 85.943 11.134 11.485 1.00 0.00 C ATOM 1660 O LYS A 99 85.265 11.913 12.155 1.00 0.00 O ATOM 1661 CB LYS A 99 87.230 11.694 9.406 1.00 0.00 C ATOM 1662 CG LYS A 99 86.214 12.707 8.908 1.00 0.00 C ATOM 1663 CD LYS A 99 86.249 12.801 7.391 1.00 0.00 C ATOM 1664 CE LYS A 99 85.278 13.842 6.866 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.374 13.988 5.390 1.00 0.00 N ATOM 0 H LYS A 99 88.780 10.154 10.454 1.00 0.00 H new ATOM 0 HA LYS A 99 87.561 12.513 11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.215 11.975 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.992 10.721 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.215 12.420 9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.424 13.684 9.343 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.259 13.050 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.007 11.829 6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 99 84.261 13.561 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 99 85.482 14.802 7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 84.696 14.708 5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 86.338 14.280 5.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 85.155 13.078 4.936 1.00 0.00 H new ATOM 1679 N ARG A 100 85.562 9.893 11.224 1.00 0.00 N ATOM 1680 CA ARG A 100 84.237 9.409 11.599 1.00 0.00 C ATOM 1681 C ARG A 100 84.262 8.682 12.944 1.00 0.00 C ATOM 1682 O ARG A 100 83.238 8.186 13.414 1.00 0.00 O ATOM 1683 CB ARG A 100 83.688 8.506 10.494 1.00 0.00 C ATOM 1684 CG ARG A 100 83.583 9.218 9.152 1.00 0.00 C ATOM 1685 CD ARG A 100 83.052 8.310 8.056 1.00 0.00 C ATOM 1686 NE ARG A 100 81.711 7.813 8.350 1.00 0.00 N ATOM 1687 CZ ARG A 100 80.588 8.435 7.986 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.639 9.592 7.332 1.00 0.00 N ATOM 1689 NH2 ARG A 100 79.410 7.895 8.272 1.00 0.00 N ATOM 0 H ARG A 100 86.148 9.202 10.755 1.00 0.00 H new ATOM 0 HA ARG A 100 83.576 10.268 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 100 84.333 7.634 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.703 8.140 10.785 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.928 10.083 9.253 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.565 9.594 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.036 8.854 7.112 1.00 0.00 H new ATOM 0 HD3 ARG A 100 83.730 7.466 7.926 1.00 0.00 H new ATOM 0 HE ARG A 100 81.627 6.937 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 100 81.541 10.010 7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 100 79.776 10.061 7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 100 79.364 7.006 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 100 78.551 8.369 7.994 1.00 0.00 H new ATOM 1703 N GLY A 101 85.439 8.625 13.557 1.00 0.00 N ATOM 1704 CA GLY A 101 85.568 8.051 14.886 1.00 0.00 C ATOM 1705 C GLY A 101 85.370 6.548 14.909 1.00 0.00 C ATOM 1706 O GLY A 101 84.928 5.989 15.910 1.00 0.00 O ATOM 0 H GLY A 101 86.312 8.968 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.556 8.287 15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.839 8.517 15.549 1.00 0.00 H new