USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 831 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 43 ASN : amide:sc= -2.7 X(o=-2.8,f=-2.5) USER MOD Set 1.2: A 76 ASN : amide:sc= 1.21 K(o=-2.8,f=-4.7) USER MOD Set 1.3: A 77 ASN : amide:sc= -1.26 K(o=-2.8,f=-14!) USER MOD Set 2.1: A 52 THR OG1 : rot -5:sc= -0.134 USER MOD Set 2.2: A 54 MET CE :methyl 156:sc= 0 (180deg=-0.503) USER MOD Set 2.3: A 55 CYS SG : rot 80:sc= 0.786 USER MOD Single : A 2 MET CE :methyl 149:sc= -0.126 (180deg=-0.989) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -171:sc= 1.78 (180deg=1.6) USER MOD Single : A 7 THR OG1 : rot -73:sc= 0.193 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -161:sc=-0.00715 (180deg=-0.119) USER MOD Single : A 17 ASN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 37 GLN : amide:sc= 0.351 K(o=0.35,f=-4.9!) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.185 F(o=-1.9,f=-0.18) USER MOD Single : A 42 ASN : amide:sc= 0.329 K(o=0.33,f=-7.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 124:sc= 1.26 USER MOD Single : A 50 MET CE :methyl -167:sc= 0 (180deg=-0.461) USER MOD Single : A 51 THR OG1 : rot 70:sc= 0.765 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -156:sc= 1.19 (180deg=1.13) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -170:sc= 0 USER MOD Single : A 89 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 2 16.574 0.810 -18.481 1.00 0.00 N ATOM 2 CA MET A 2 17.293 -0.327 -17.912 1.00 0.00 C ATOM 3 C MET A 2 18.110 0.185 -16.731 1.00 0.00 C ATOM 4 O MET A 2 19.182 0.764 -16.936 1.00 0.00 O ATOM 5 CB MET A 2 18.176 -0.966 -18.995 1.00 0.00 C ATOM 6 CG MET A 2 18.510 -2.439 -18.747 1.00 0.00 C ATOM 7 SD MET A 2 18.991 -2.893 -17.065 1.00 0.00 S ATOM 8 CE MET A 2 17.420 -3.524 -16.398 1.00 0.00 C ATOM 0 HA MET A 2 16.610 -1.099 -17.559 1.00 0.00 H new ATOM 0 HB2 MET A 2 17.672 -0.877 -19.957 1.00 0.00 H new ATOM 0 HB3 MET A 2 19.106 -0.402 -19.069 1.00 0.00 H new ATOM 0 HG2 MET A 2 17.641 -3.036 -19.025 1.00 0.00 H new ATOM 0 HG3 MET A 2 19.319 -2.722 -19.420 1.00 0.00 H new ATOM 0 HE1 MET A 2 17.624 -4.301 -15.661 1.00 0.00 H new ATOM 0 HE2 MET A 2 16.872 -2.709 -15.925 1.00 0.00 H new ATOM 0 HE3 MET A 2 16.822 -3.941 -17.208 1.00 0.00 H new ATOM 18 N SER A 3 17.618 0.030 -15.500 1.00 0.00 N ATOM 19 CA SER A 3 18.326 0.532 -14.331 1.00 0.00 C ATOM 20 C SER A 3 17.914 -0.219 -13.063 1.00 0.00 C ATOM 21 O SER A 3 16.928 -0.958 -13.081 1.00 0.00 O ATOM 22 CB SER A 3 18.107 2.045 -14.260 1.00 0.00 C ATOM 23 OG SER A 3 16.748 2.389 -14.112 1.00 0.00 O ATOM 0 H SER A 3 16.736 -0.438 -15.292 1.00 0.00 H new ATOM 0 HA SER A 3 19.397 0.350 -14.417 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.674 2.452 -13.423 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.499 2.508 -15.166 1.00 0.00 H new ATOM 0 HG SER A 3 16.660 3.364 -14.070 1.00 0.00 H new ATOM 29 N LYS A 4 18.643 -0.035 -11.953 1.00 0.00 N ATOM 30 CA LYS A 4 18.403 -0.716 -10.675 1.00 0.00 C ATOM 31 C LYS A 4 18.447 0.297 -9.540 1.00 0.00 C ATOM 32 O LYS A 4 19.275 0.197 -8.633 1.00 0.00 O ATOM 33 CB LYS A 4 19.401 -1.874 -10.487 1.00 0.00 C ATOM 34 CG LYS A 4 18.890 -3.112 -11.211 1.00 0.00 C ATOM 35 CD LYS A 4 19.916 -4.247 -11.177 1.00 0.00 C ATOM 36 CE LYS A 4 19.347 -5.433 -11.959 1.00 0.00 C ATOM 37 NZ LYS A 4 20.223 -6.615 -11.929 1.00 0.00 N ATOM 0 H LYS A 4 19.435 0.607 -11.919 1.00 0.00 H new ATOM 0 HA LYS A 4 17.409 -1.163 -10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.379 -1.591 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.529 -2.088 -9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 4 17.961 -3.447 -10.750 1.00 0.00 H new ATOM 0 HG3 LYS A 4 18.659 -2.860 -12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.859 -3.920 -11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.127 -4.537 -10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.373 -5.699 -11.548 1.00 0.00 H new ATOM 0 HE3 LYS A 4 19.185 -5.134 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.786 -7.385 -12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 21.145 -6.375 -12.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.358 -6.922 -10.945 1.00 0.00 H new ATOM 51 N LYS A 5 17.538 1.265 -9.567 1.00 0.00 N ATOM 52 CA LYS A 5 17.343 2.222 -8.481 1.00 0.00 C ATOM 53 C LYS A 5 15.844 2.445 -8.387 1.00 0.00 C ATOM 54 O LYS A 5 15.278 3.251 -9.131 1.00 0.00 O ATOM 55 CB LYS A 5 18.190 3.486 -8.699 1.00 0.00 C ATOM 56 CG LYS A 5 18.796 4.073 -7.411 1.00 0.00 C ATOM 57 CD LYS A 5 17.844 4.859 -6.488 1.00 0.00 C ATOM 58 CE LYS A 5 17.288 4.019 -5.328 1.00 0.00 C ATOM 59 NZ LYS A 5 16.922 4.858 -4.161 1.00 0.00 N ATOM 0 H LYS A 5 16.906 1.410 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 5 17.697 1.855 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.998 3.253 -9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.571 4.247 -9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 5 19.228 3.254 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 5 19.617 4.732 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 5 18.373 5.721 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 5 17.013 5.244 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 5 16.411 3.467 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 5 18.031 3.281 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.697 4.246 -3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.720 5.478 -3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.092 5.439 -4.398 1.00 0.00 H new ATOM 73 N VAL A 6 15.202 1.646 -7.545 1.00 0.00 N ATOM 74 CA VAL A 6 13.761 1.610 -7.357 1.00 0.00 C ATOM 75 C VAL A 6 13.350 2.837 -6.534 1.00 0.00 C ATOM 76 O VAL A 6 14.163 3.407 -5.802 1.00 0.00 O ATOM 77 CB VAL A 6 13.411 0.249 -6.714 1.00 0.00 C ATOM 78 CG1 VAL A 6 11.934 0.118 -6.312 1.00 0.00 C ATOM 79 CG2 VAL A 6 13.747 -0.881 -7.699 1.00 0.00 C ATOM 0 H VAL A 6 15.693 0.978 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 6 13.199 1.673 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 6 14.003 0.180 -5.801 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.763 -0.863 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.684 0.893 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.305 0.231 -7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.501 -1.842 -7.248 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.168 -0.751 -8.613 1.00 0.00 H new ATOM 0 HG23 VAL A 6 14.811 -0.853 -7.936 1.00 0.00 H new ATOM 89 N THR A 7 12.097 3.269 -6.670 1.00 0.00 N ATOM 90 CA THR A 7 11.615 4.547 -6.159 1.00 0.00 C ATOM 91 C THR A 7 10.189 4.392 -5.660 1.00 0.00 C ATOM 92 O THR A 7 9.499 3.407 -5.931 1.00 0.00 O ATOM 93 CB THR A 7 11.640 5.568 -7.315 1.00 0.00 C ATOM 94 OG1 THR A 7 10.800 5.101 -8.355 1.00 0.00 O ATOM 95 CG2 THR A 7 13.042 5.800 -7.867 1.00 0.00 C ATOM 0 H THR A 7 11.376 2.728 -7.148 1.00 0.00 H new ATOM 0 HA THR A 7 12.246 4.884 -5.337 1.00 0.00 H new ATOM 0 HB THR A 7 11.288 6.521 -6.921 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.231 4.348 -8.810 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.998 6.527 -8.678 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.687 6.179 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 7 13.445 4.860 -8.244 1.00 0.00 H new ATOM 103 N LYS A 8 9.728 5.416 -4.946 1.00 0.00 N ATOM 104 CA LYS A 8 8.358 5.544 -4.497 1.00 0.00 C ATOM 105 C LYS A 8 7.404 5.481 -5.690 1.00 0.00 C ATOM 106 O LYS A 8 6.350 4.866 -5.570 1.00 0.00 O ATOM 107 CB LYS A 8 8.220 6.838 -3.670 1.00 0.00 C ATOM 108 CG LYS A 8 9.001 8.013 -4.267 1.00 0.00 C ATOM 109 CD LYS A 8 8.589 9.394 -3.757 1.00 0.00 C ATOM 110 CE LYS A 8 9.197 9.732 -2.394 1.00 0.00 C ATOM 111 NZ LYS A 8 9.097 11.178 -2.102 1.00 0.00 N ATOM 0 H LYS A 8 10.319 6.197 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 8 8.085 4.712 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.166 7.107 -3.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.571 6.653 -2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.061 7.868 -4.058 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.884 7.993 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.893 10.149 -4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.502 9.440 -3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.686 9.166 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.243 9.427 -2.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.518 11.374 -1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.606 11.716 -2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.097 11.463 -2.096 1.00 0.00 H new ATOM 125 N GLU A 9 7.789 6.033 -6.843 1.00 0.00 N ATOM 126 CA GLU A 9 7.011 5.985 -8.071 1.00 0.00 C ATOM 127 C GLU A 9 6.751 4.536 -8.472 1.00 0.00 C ATOM 128 O GLU A 9 5.610 4.164 -8.753 1.00 0.00 O ATOM 129 CB GLU A 9 7.786 6.700 -9.193 1.00 0.00 C ATOM 130 CG GLU A 9 7.045 7.921 -9.739 1.00 0.00 C ATOM 131 CD GLU A 9 7.258 9.114 -8.816 1.00 0.00 C ATOM 132 OE1 GLU A 9 8.269 9.829 -9.015 1.00 0.00 O ATOM 133 OE2 GLU A 9 6.456 9.278 -7.870 1.00 0.00 O ATOM 0 H GLU A 9 8.671 6.536 -6.945 1.00 0.00 H new ATOM 0 HA GLU A 9 6.055 6.483 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.760 7.011 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.969 5.998 -10.006 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.404 8.157 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.981 7.703 -9.825 1.00 0.00 H new ATOM 141 N ASP A 10 7.809 3.722 -8.503 1.00 0.00 N ATOM 142 CA ASP A 10 7.768 2.361 -9.026 1.00 0.00 C ATOM 143 C ASP A 10 7.010 1.454 -8.065 1.00 0.00 C ATOM 144 O ASP A 10 6.308 0.542 -8.499 1.00 0.00 O ATOM 145 CB ASP A 10 9.189 1.819 -9.235 1.00 0.00 C ATOM 146 CG ASP A 10 9.906 2.431 -10.442 1.00 0.00 C ATOM 147 OD1 ASP A 10 11.095 2.798 -10.318 1.00 0.00 O ATOM 148 OD2 ASP A 10 9.305 2.532 -11.536 1.00 0.00 O ATOM 0 H ASP A 10 8.729 3.997 -8.160 1.00 0.00 H new ATOM 0 HA ASP A 10 7.254 2.378 -9.987 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.778 2.010 -8.338 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.142 0.737 -9.361 1.00 0.00 H new ATOM 154 N VAL A 11 7.136 1.715 -6.763 1.00 0.00 N ATOM 155 CA VAL A 11 6.429 1.021 -5.683 1.00 0.00 C ATOM 156 C VAL A 11 4.937 1.317 -5.731 1.00 0.00 C ATOM 157 O VAL A 11 4.130 0.398 -5.590 1.00 0.00 O ATOM 158 CB VAL A 11 7.101 1.395 -4.349 1.00 0.00 C ATOM 159 CG1 VAL A 11 6.363 0.876 -3.108 1.00 0.00 C ATOM 160 CG2 VAL A 11 8.523 0.811 -4.341 1.00 0.00 C ATOM 0 H VAL A 11 7.758 2.445 -6.417 1.00 0.00 H new ATOM 0 HA VAL A 11 6.502 -0.060 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 11 7.092 2.483 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.901 1.182 -2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.354 1.289 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.309 -0.212 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.016 1.066 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.472 -0.273 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.091 1.226 -5.174 1.00 0.00 H new ATOM 170 N LEU A 12 4.557 2.568 -5.991 1.00 0.00 N ATOM 171 CA LEU A 12 3.165 2.946 -6.127 1.00 0.00 C ATOM 172 C LEU A 12 2.622 2.209 -7.338 1.00 0.00 C ATOM 173 O LEU A 12 1.643 1.474 -7.232 1.00 0.00 O ATOM 174 CB LEU A 12 3.064 4.473 -6.274 1.00 0.00 C ATOM 175 CG LEU A 12 3.255 5.210 -4.935 1.00 0.00 C ATOM 176 CD1 LEU A 12 3.572 6.690 -5.165 1.00 0.00 C ATOM 177 CD2 LEU A 12 2.003 5.118 -4.054 1.00 0.00 C ATOM 0 H LEU A 12 5.211 3.342 -6.112 1.00 0.00 H new ATOM 0 HA LEU A 12 2.576 2.675 -5.251 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.816 4.817 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.090 4.731 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 12 4.089 4.723 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.702 7.188 -4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.489 6.779 -5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.751 7.158 -5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.177 5.650 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.158 5.567 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.784 4.072 -3.841 1.00 0.00 H new ATOM 189 N ASN A 13 3.318 2.314 -8.469 1.00 0.00 N ATOM 190 CA ASN A 13 2.926 1.696 -9.718 1.00 0.00 C ATOM 191 C ASN A 13 2.812 0.177 -9.634 1.00 0.00 C ATOM 192 O ASN A 13 2.015 -0.403 -10.370 1.00 0.00 O ATOM 193 CB ASN A 13 3.940 2.089 -10.798 1.00 0.00 C ATOM 194 CG ASN A 13 3.303 3.076 -11.754 1.00 0.00 C ATOM 195 OD1 ASN A 13 2.473 2.689 -12.568 1.00 0.00 O ATOM 196 ND2 ASN A 13 3.596 4.357 -11.611 1.00 0.00 N ATOM 0 H ASN A 13 4.187 2.844 -8.536 1.00 0.00 H new ATOM 0 HA ASN A 13 1.929 2.059 -9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.824 2.531 -10.338 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.271 1.203 -11.340 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.126 5.055 -12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.292 4.647 -10.924 1.00 0.00 H new ATOM 203 N ALA A 14 3.577 -0.487 -8.766 1.00 0.00 N ATOM 204 CA ALA A 14 3.474 -1.921 -8.577 1.00 0.00 C ATOM 205 C ALA A 14 2.197 -2.234 -7.809 1.00 0.00 C ATOM 206 O ALA A 14 1.426 -3.108 -8.208 1.00 0.00 O ATOM 207 CB ALA A 14 4.694 -2.425 -7.814 1.00 0.00 C ATOM 0 H ALA A 14 4.282 -0.040 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 14 3.438 -2.422 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.615 -3.503 -7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.597 -2.198 -8.381 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.743 -1.934 -6.842 1.00 0.00 H new ATOM 213 N LEU A 15 1.978 -1.519 -6.702 1.00 0.00 N ATOM 214 CA LEU A 15 0.847 -1.751 -5.816 1.00 0.00 C ATOM 215 C LEU A 15 -0.485 -1.477 -6.509 1.00 0.00 C ATOM 216 O LEU A 15 -1.461 -2.158 -6.199 1.00 0.00 O ATOM 217 CB LEU A 15 0.971 -0.897 -4.551 1.00 0.00 C ATOM 218 CG LEU A 15 2.019 -1.428 -3.556 1.00 0.00 C ATOM 219 CD1 LEU A 15 2.365 -0.329 -2.546 1.00 0.00 C ATOM 220 CD2 LEU A 15 1.486 -2.662 -2.809 1.00 0.00 C ATOM 0 H LEU A 15 2.587 -0.760 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 15 0.864 -2.805 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.233 0.123 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.001 -0.851 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 15 2.911 -1.717 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.107 -0.703 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.769 0.535 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.465 -0.036 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.243 -3.020 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.584 -2.393 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.252 -3.449 -3.526 1.00 0.00 H new ATOM 232 N LYS A 16 -0.511 -0.591 -7.513 1.00 0.00 N ATOM 233 CA LYS A 16 -1.649 -0.285 -8.393 1.00 0.00 C ATOM 234 C LYS A 16 -2.210 -1.496 -9.177 1.00 0.00 C ATOM 235 O LYS A 16 -2.984 -1.298 -10.115 1.00 0.00 O ATOM 236 CB LYS A 16 -1.254 0.866 -9.341 1.00 0.00 C ATOM 237 CG LYS A 16 -1.263 2.228 -8.631 1.00 0.00 C ATOM 238 CD LYS A 16 -0.952 3.384 -9.596 1.00 0.00 C ATOM 239 CE LYS A 16 -1.935 4.544 -9.405 1.00 0.00 C ATOM 240 NZ LYS A 16 -3.297 4.186 -9.849 1.00 0.00 N ATOM 0 H LYS A 16 0.311 -0.034 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.474 0.017 -7.747 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.260 0.676 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.943 0.893 -10.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.238 2.391 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.529 2.221 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.066 3.736 -9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.002 3.026 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.959 4.831 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.586 5.412 -9.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.848 5.053 -10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.242 3.640 -10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.761 3.612 -9.116 1.00 0.00 H new ATOM 254 N ASN A 17 -1.813 -2.731 -8.869 1.00 0.00 N ATOM 255 CA ASN A 17 -2.335 -3.969 -9.449 1.00 0.00 C ATOM 256 C ASN A 17 -3.195 -4.697 -8.419 1.00 0.00 C ATOM 257 O ASN A 17 -4.324 -5.087 -8.717 1.00 0.00 O ATOM 258 CB ASN A 17 -1.180 -4.876 -9.901 1.00 0.00 C ATOM 259 CG ASN A 17 -0.469 -4.300 -11.115 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.931 -4.426 -12.248 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.651 -3.636 -10.906 1.00 0.00 N ATOM 0 H ASN A 17 -1.085 -2.904 -8.176 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.945 -3.722 -10.318 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.469 -4.998 -9.084 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.565 -5.868 -10.139 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.149 -3.217 -11.691 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.019 -3.542 -9.959 1.00 0.00 H new ATOM 268 N VAL A 18 -2.639 -4.875 -7.217 1.00 0.00 N ATOM 269 CA VAL A 18 -3.202 -5.632 -6.109 1.00 0.00 C ATOM 270 C VAL A 18 -4.532 -4.995 -5.690 1.00 0.00 C ATOM 271 O VAL A 18 -4.736 -3.802 -5.904 1.00 0.00 O ATOM 272 CB VAL A 18 -2.117 -5.656 -5.000 1.00 0.00 C ATOM 273 CG1 VAL A 18 -2.624 -6.080 -3.615 1.00 0.00 C ATOM 274 CG2 VAL A 18 -1.016 -6.638 -5.420 1.00 0.00 C ATOM 0 H VAL A 18 -1.733 -4.469 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.447 -6.663 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.762 -4.630 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.797 -6.067 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.398 -5.388 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.038 -7.087 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.243 -6.668 -4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.444 -7.633 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.578 -6.311 -6.363 1.00 0.00 H new ATOM 284 N ILE A 19 -5.427 -5.747 -5.049 1.00 0.00 N ATOM 285 CA ILE A 19 -6.682 -5.237 -4.519 1.00 0.00 C ATOM 286 C ILE A 19 -6.788 -5.682 -3.064 1.00 0.00 C ATOM 287 O ILE A 19 -6.453 -6.821 -2.723 1.00 0.00 O ATOM 288 CB ILE A 19 -7.850 -5.748 -5.390 1.00 0.00 C ATOM 289 CG1 ILE A 19 -7.759 -5.268 -6.856 1.00 0.00 C ATOM 290 CG2 ILE A 19 -9.229 -5.398 -4.817 1.00 0.00 C ATOM 291 CD1 ILE A 19 -8.007 -3.773 -7.098 1.00 0.00 C ATOM 0 H ILE A 19 -5.293 -6.745 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.723 -4.148 -4.548 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.746 -6.833 -5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.768 -5.517 -7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.479 -5.834 -7.447 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.006 -5.785 -5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.336 -5.844 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.326 -4.315 -4.739 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.916 -3.557 -8.162 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.009 -3.511 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.272 -3.188 -6.545 1.00 0.00 H new ATOM 303 N ASP A 20 -7.302 -4.790 -2.226 1.00 0.00 N ATOM 304 CA ASP A 20 -7.814 -5.112 -0.901 1.00 0.00 C ATOM 305 C ASP A 20 -9.158 -5.789 -1.131 1.00 0.00 C ATOM 306 O ASP A 20 -10.124 -5.092 -1.448 1.00 0.00 O ATOM 307 CB ASP A 20 -8.029 -3.840 -0.053 1.00 0.00 C ATOM 308 CG ASP A 20 -6.838 -3.433 0.806 1.00 0.00 C ATOM 309 OD1 ASP A 20 -7.043 -2.621 1.734 1.00 0.00 O ATOM 310 OD2 ASP A 20 -5.703 -3.904 0.578 1.00 0.00 O ATOM 0 H ASP A 20 -7.376 -3.799 -2.455 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.108 -5.744 -0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.277 -3.014 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.891 -3.995 0.596 1.00 0.00 H new ATOM 316 N PHE A 21 -9.235 -7.122 -1.009 1.00 0.00 N ATOM 317 CA PHE A 21 -10.464 -7.887 -1.253 1.00 0.00 C ATOM 318 C PHE A 21 -11.670 -7.254 -0.553 1.00 0.00 C ATOM 319 O PHE A 21 -12.724 -7.080 -1.163 1.00 0.00 O ATOM 320 CB PHE A 21 -10.312 -9.340 -0.776 1.00 0.00 C ATOM 321 CG PHE A 21 -9.496 -10.231 -1.685 1.00 0.00 C ATOM 322 CD1 PHE A 21 -10.063 -10.734 -2.873 1.00 0.00 C ATOM 323 CD2 PHE A 21 -8.180 -10.587 -1.337 1.00 0.00 C ATOM 324 CE1 PHE A 21 -9.310 -11.566 -3.719 1.00 0.00 C ATOM 325 CE2 PHE A 21 -7.436 -11.426 -2.179 1.00 0.00 C ATOM 326 CZ PHE A 21 -7.992 -11.907 -3.377 1.00 0.00 C ATOM 0 H PHE A 21 -8.441 -7.702 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.635 -7.874 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.851 -9.336 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.305 -9.775 -0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.080 -10.479 -3.134 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.743 -10.214 -0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.745 -11.943 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -6.429 -11.704 -1.905 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.408 -12.536 -4.032 1.00 0.00 H new ATOM 336 N GLU A 22 -11.494 -6.867 0.712 1.00 0.00 N ATOM 337 CA GLU A 22 -12.514 -6.350 1.604 1.00 0.00 C ATOM 338 C GLU A 22 -13.141 -5.036 1.118 1.00 0.00 C ATOM 339 O GLU A 22 -14.244 -4.677 1.551 1.00 0.00 O ATOM 340 CB GLU A 22 -11.815 -6.218 2.970 1.00 0.00 C ATOM 341 CG GLU A 22 -12.649 -5.657 4.124 1.00 0.00 C ATOM 342 CD GLU A 22 -13.859 -6.501 4.541 1.00 0.00 C ATOM 343 OE1 GLU A 22 -14.386 -6.277 5.657 1.00 0.00 O ATOM 344 OE2 GLU A 22 -14.327 -7.374 3.778 1.00 0.00 O ATOM 0 H GLU A 22 -10.579 -6.912 1.160 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.372 -7.021 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.452 -7.203 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.940 -5.581 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.000 -5.533 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.001 -4.664 3.845 1.00 0.00 H new ATOM 352 N LEU A 23 -12.476 -4.323 0.202 1.00 0.00 N ATOM 353 CA LEU A 23 -12.910 -3.033 -0.321 1.00 0.00 C ATOM 354 C LEU A 23 -13.196 -3.129 -1.811 1.00 0.00 C ATOM 355 O LEU A 23 -14.206 -2.597 -2.269 1.00 0.00 O ATOM 356 CB LEU A 23 -11.833 -1.963 -0.079 1.00 0.00 C ATOM 357 CG LEU A 23 -11.790 -1.326 1.324 1.00 0.00 C ATOM 358 CD1 LEU A 23 -13.128 -0.706 1.739 1.00 0.00 C ATOM 359 CD2 LEU A 23 -11.280 -2.272 2.411 1.00 0.00 C ATOM 0 H LEU A 23 -11.596 -4.641 -0.204 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.823 -2.749 0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.859 -2.410 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.975 -1.167 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.061 -0.521 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.035 -0.274 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.403 0.074 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.899 -1.477 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.277 -1.756 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.932 -3.144 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.267 -2.592 2.168 1.00 0.00 H new ATOM 371 N GLY A 24 -12.304 -3.746 -2.581 1.00 0.00 N ATOM 372 CA GLY A 24 -12.446 -3.924 -4.015 1.00 0.00 C ATOM 373 C GLY A 24 -11.646 -2.901 -4.820 1.00 0.00 C ATOM 374 O GLY A 24 -11.855 -2.799 -6.031 1.00 0.00 O ATOM 0 H GLY A 24 -11.441 -4.145 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.120 -4.928 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.500 -3.847 -4.284 1.00 0.00 H new ATOM 378 N LEU A 25 -10.726 -2.161 -4.195 1.00 0.00 N ATOM 379 CA LEU A 25 -9.843 -1.208 -4.861 1.00 0.00 C ATOM 380 C LEU A 25 -8.395 -1.454 -4.439 1.00 0.00 C ATOM 381 O LEU A 25 -8.141 -2.230 -3.519 1.00 0.00 O ATOM 382 CB LEU A 25 -10.292 0.235 -4.553 1.00 0.00 C ATOM 383 CG LEU A 25 -10.716 1.061 -5.784 1.00 0.00 C ATOM 384 CD1 LEU A 25 -9.648 1.138 -6.881 1.00 0.00 C ATOM 385 CD2 LEU A 25 -12.022 0.553 -6.409 1.00 0.00 C ATOM 0 H LEU A 25 -10.573 -2.211 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.903 -1.349 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.127 0.198 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.476 0.754 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.864 2.065 -5.385 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.022 1.736 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.746 1.600 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.415 0.133 -7.233 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.276 1.169 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.895 -0.482 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.824 0.611 -5.673 1.00 0.00 H new ATOM 397 N ASP A 26 -7.449 -0.795 -5.115 1.00 0.00 N ATOM 398 CA ASP A 26 -6.026 -0.917 -4.800 1.00 0.00 C ATOM 399 C ASP A 26 -5.698 0.025 -3.644 1.00 0.00 C ATOM 400 O ASP A 26 -6.346 1.063 -3.472 1.00 0.00 O ATOM 401 CB ASP A 26 -5.150 -0.632 -6.038 1.00 0.00 C ATOM 402 CG ASP A 26 -4.293 0.624 -5.956 1.00 0.00 C ATOM 403 OD1 ASP A 26 -4.726 1.686 -6.460 1.00 0.00 O ATOM 404 OD2 ASP A 26 -3.156 0.535 -5.455 1.00 0.00 O ATOM 0 H ASP A 26 -7.649 -0.165 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.806 -1.941 -4.499 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.496 -1.488 -6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.798 -0.553 -6.911 1.00 0.00 H new ATOM 410 N VAL A 27 -4.673 -0.314 -2.874 1.00 0.00 N ATOM 411 CA VAL A 27 -4.183 0.453 -1.755 1.00 0.00 C ATOM 412 C VAL A 27 -3.879 1.896 -2.135 1.00 0.00 C ATOM 413 O VAL A 27 -4.205 2.794 -1.363 1.00 0.00 O ATOM 414 CB VAL A 27 -2.960 -0.242 -1.141 1.00 0.00 C ATOM 415 CG1 VAL A 27 -3.291 -1.660 -0.680 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.750 -0.278 -2.082 1.00 0.00 C ATOM 0 H VAL A 27 -4.142 -1.171 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.972 0.497 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.688 0.364 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.401 -2.120 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.079 -1.623 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.630 -2.250 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.920 -0.782 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.013 -0.818 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.456 0.740 -2.336 1.00 0.00 H new ATOM 426 N VAL A 28 -3.225 2.167 -3.262 1.00 0.00 N ATOM 427 CA VAL A 28 -2.855 3.512 -3.677 1.00 0.00 C ATOM 428 C VAL A 28 -4.139 4.332 -3.835 1.00 0.00 C ATOM 429 O VAL A 28 -4.205 5.466 -3.364 1.00 0.00 O ATOM 430 CB VAL A 28 -1.966 3.450 -4.945 1.00 0.00 C ATOM 431 CG1 VAL A 28 -1.573 4.858 -5.416 1.00 0.00 C ATOM 432 CG2 VAL A 28 -0.682 2.653 -4.647 1.00 0.00 C ATOM 0 H VAL A 28 -2.934 1.445 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.244 4.017 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.541 2.960 -5.731 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.950 4.783 -6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.472 5.428 -5.649 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.018 5.364 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.062 2.614 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.129 3.141 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.945 1.640 -4.343 1.00 0.00 H new ATOM 442 N SER A 29 -5.192 3.728 -4.383 1.00 0.00 N ATOM 443 CA SER A 29 -6.510 4.324 -4.470 1.00 0.00 C ATOM 444 C SER A 29 -7.134 4.515 -3.087 1.00 0.00 C ATOM 445 O SER A 29 -7.749 5.552 -2.827 1.00 0.00 O ATOM 446 CB SER A 29 -7.398 3.471 -5.379 1.00 0.00 C ATOM 447 OG SER A 29 -7.447 4.050 -6.671 1.00 0.00 O ATOM 0 H SER A 29 -5.144 2.792 -4.785 1.00 0.00 H new ATOM 0 HA SER A 29 -6.417 5.318 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.006 2.456 -5.439 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.403 3.401 -4.962 1.00 0.00 H new ATOM 0 HG SER A 29 -8.014 3.503 -7.253 1.00 0.00 H new ATOM 453 N LEU A 30 -6.999 3.548 -2.186 1.00 0.00 N ATOM 454 CA LEU A 30 -7.487 3.658 -0.814 1.00 0.00 C ATOM 455 C LEU A 30 -6.730 4.710 0.000 1.00 0.00 C ATOM 456 O LEU A 30 -7.259 5.188 0.996 1.00 0.00 O ATOM 457 CB LEU A 30 -7.382 2.288 -0.133 1.00 0.00 C ATOM 458 CG LEU A 30 -8.715 1.528 -0.110 1.00 0.00 C ATOM 459 CD1 LEU A 30 -8.481 0.026 -0.290 1.00 0.00 C ATOM 460 CD2 LEU A 30 -9.422 1.814 1.218 1.00 0.00 C ATOM 0 H LEU A 30 -6.544 2.658 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.526 3.984 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.636 1.686 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.029 2.422 0.889 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.344 1.864 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.438 -0.496 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -7.989 -0.154 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.850 -0.343 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.371 1.279 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.793 1.482 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.605 2.885 1.309 1.00 0.00 H new ATOM 472 N GLY A 31 -5.517 5.084 -0.403 1.00 0.00 N ATOM 473 CA GLY A 31 -4.686 6.043 0.307 1.00 0.00 C ATOM 474 C GLY A 31 -4.300 5.535 1.698 1.00 0.00 C ATOM 475 O GLY A 31 -4.690 6.154 2.685 1.00 0.00 O ATOM 0 H GLY A 31 -5.080 4.719 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.784 6.242 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.220 6.989 0.400 1.00 0.00 H new ATOM 479 N LEU A 32 -3.555 4.424 1.790 1.00 0.00 N ATOM 480 CA LEU A 32 -3.080 3.851 3.061 1.00 0.00 C ATOM 481 C LEU A 32 -1.592 4.081 3.260 1.00 0.00 C ATOM 482 O LEU A 32 -1.154 4.212 4.405 1.00 0.00 O ATOM 483 CB LEU A 32 -3.345 2.342 3.164 1.00 0.00 C ATOM 484 CG LEU A 32 -4.818 1.945 2.944 1.00 0.00 C ATOM 485 CD1 LEU A 32 -4.894 1.042 1.715 1.00 0.00 C ATOM 486 CD2 LEU A 32 -5.413 1.231 4.153 1.00 0.00 C ATOM 0 H LEU A 32 -3.260 3.889 0.973 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.646 4.367 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.727 1.825 2.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.029 1.995 4.148 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.402 2.853 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.930 0.749 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.519 1.580 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.288 0.151 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.452 0.972 3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.846 0.322 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.367 1.887 5.022 1.00 0.00 H new ATOM 498 N VAL A 33 -0.807 4.120 2.183 1.00 0.00 N ATOM 499 CA VAL A 33 0.597 4.435 2.231 1.00 0.00 C ATOM 500 C VAL A 33 0.730 5.884 2.710 1.00 0.00 C ATOM 501 O VAL A 33 0.437 6.850 1.999 1.00 0.00 O ATOM 502 CB VAL A 33 1.269 4.140 0.874 1.00 0.00 C ATOM 503 CG1 VAL A 33 1.356 2.628 0.616 1.00 0.00 C ATOM 504 CG2 VAL A 33 0.654 4.831 -0.359 1.00 0.00 C ATOM 0 H VAL A 33 -1.148 3.928 1.241 1.00 0.00 H new ATOM 0 HA VAL A 33 1.132 3.802 2.940 1.00 0.00 H new ATOM 0 HB VAL A 33 2.260 4.579 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.834 2.450 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.943 2.158 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.353 2.202 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.212 4.547 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.386 4.523 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.701 5.912 -0.231 1.00 0.00 H new ATOM 514 N TYR A 34 1.090 6.018 3.978 1.00 0.00 N ATOM 515 CA TYR A 34 1.393 7.259 4.646 1.00 0.00 C ATOM 516 C TYR A 34 2.674 7.828 4.038 1.00 0.00 C ATOM 517 O TYR A 34 2.655 8.944 3.515 1.00 0.00 O ATOM 518 CB TYR A 34 1.499 6.966 6.152 1.00 0.00 C ATOM 519 CG TYR A 34 0.191 7.081 6.898 1.00 0.00 C ATOM 520 CD1 TYR A 34 -0.472 8.323 6.955 1.00 0.00 C ATOM 521 CD2 TYR A 34 -0.323 5.972 7.590 1.00 0.00 C ATOM 522 CE1 TYR A 34 -1.645 8.477 7.717 1.00 0.00 C ATOM 523 CE2 TYR A 34 -1.503 6.130 8.342 1.00 0.00 C ATOM 524 CZ TYR A 34 -2.152 7.378 8.438 1.00 0.00 C ATOM 525 OH TYR A 34 -3.258 7.483 9.216 1.00 0.00 O ATOM 0 H TYR A 34 1.181 5.212 4.597 1.00 0.00 H new ATOM 0 HA TYR A 34 0.618 8.014 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.895 5.960 6.288 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.219 7.654 6.595 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.076 9.166 6.408 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.177 5.016 7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.152 9.430 7.749 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.920 5.277 8.856 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.450 6.616 9.631 1.00 0.00 H new ATOM 535 N ASP A 35 3.753 7.039 4.026 1.00 0.00 N ATOM 536 CA ASP A 35 5.104 7.493 3.687 1.00 0.00 C ATOM 537 C ASP A 35 5.827 6.401 2.908 1.00 0.00 C ATOM 538 O ASP A 35 5.587 5.226 3.172 1.00 0.00 O ATOM 539 CB ASP A 35 5.887 7.720 4.986 1.00 0.00 C ATOM 540 CG ASP A 35 6.884 8.873 4.936 1.00 0.00 C ATOM 541 OD1 ASP A 35 6.803 9.739 4.034 1.00 0.00 O ATOM 542 OD2 ASP A 35 7.720 8.939 5.861 1.00 0.00 O ATOM 0 H ASP A 35 3.710 6.046 4.257 1.00 0.00 H new ATOM 0 HA ASP A 35 5.039 8.407 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.179 7.905 5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.423 6.804 5.236 1.00 0.00 H new ATOM 548 N ILE A 36 6.713 6.753 1.978 1.00 0.00 N ATOM 549 CA ILE A 36 7.421 5.811 1.107 1.00 0.00 C ATOM 550 C ILE A 36 8.841 6.353 0.895 1.00 0.00 C ATOM 551 O ILE A 36 9.018 7.324 0.149 1.00 0.00 O ATOM 552 CB ILE A 36 6.665 5.630 -0.239 1.00 0.00 C ATOM 553 CG1 ILE A 36 5.208 5.124 -0.122 1.00 0.00 C ATOM 554 CG2 ILE A 36 7.427 4.634 -1.124 1.00 0.00 C ATOM 555 CD1 ILE A 36 4.363 5.480 -1.342 1.00 0.00 C ATOM 0 H ILE A 36 6.966 7.726 1.803 1.00 0.00 H new ATOM 0 HA ILE A 36 7.471 4.824 1.567 1.00 0.00 H new ATOM 0 HB ILE A 36 6.617 6.632 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.213 4.042 0.009 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.750 5.551 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.897 4.507 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.430 5.014 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.496 3.673 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.350 5.101 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.332 6.563 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.802 5.031 -2.233 1.00 0.00 H new ATOM 567 N GLN A 37 9.837 5.727 1.532 1.00 0.00 N ATOM 568 CA GLN A 37 11.258 5.972 1.440 1.00 0.00 C ATOM 569 C GLN A 37 11.885 4.761 0.780 1.00 0.00 C ATOM 570 O GLN A 37 11.519 3.630 1.092 1.00 0.00 O ATOM 571 CB GLN A 37 11.829 6.063 2.860 1.00 0.00 C ATOM 572 CG GLN A 37 11.611 7.444 3.442 1.00 0.00 C ATOM 573 CD GLN A 37 10.196 7.667 3.961 1.00 0.00 C ATOM 574 OE1 GLN A 37 9.313 8.060 3.211 1.00 0.00 O ATOM 575 NE2 GLN A 37 9.940 7.441 5.239 1.00 0.00 N ATOM 0 H GLN A 37 9.636 4.967 2.183 1.00 0.00 H new ATOM 0 HA GLN A 37 11.456 6.887 0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 37 11.353 5.317 3.496 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.895 5.835 2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.318 7.602 4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.832 8.190 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.682 7.113 5.858 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.001 7.594 5.606 1.00 0.00 H new ATOM 584 N ILE A 38 12.835 4.980 -0.118 1.00 0.00 N ATOM 585 CA ILE A 38 13.461 3.907 -0.856 1.00 0.00 C ATOM 586 C ILE A 38 14.950 4.192 -0.864 1.00 0.00 C ATOM 587 O ILE A 38 15.426 5.035 -1.631 1.00 0.00 O ATOM 588 CB ILE A 38 12.868 3.788 -2.262 1.00 0.00 C ATOM 589 CG1 ILE A 38 11.352 4.060 -2.325 1.00 0.00 C ATOM 590 CG2 ILE A 38 13.280 2.442 -2.881 1.00 0.00 C ATOM 591 CD1 ILE A 38 10.317 3.056 -1.848 1.00 0.00 C ATOM 0 H ILE A 38 13.189 5.908 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 38 13.278 2.940 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 38 13.290 4.586 -2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 38 11.177 4.977 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.118 4.276 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 38 12.858 2.357 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 38 14.367 2.386 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.908 1.627 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.318 3.468 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.415 2.133 -2.420 1.00 0.00 H new ATOM 0 HD13 ILE A 38 10.475 2.846 -0.790 1.00 0.00 H new ATOM 603 N ASP A 39 15.673 3.505 0.016 1.00 0.00 N ATOM 604 CA ASP A 39 17.117 3.663 0.145 1.00 0.00 C ATOM 605 C ASP A 39 17.791 3.361 -1.192 1.00 0.00 C ATOM 606 O ASP A 39 17.202 2.770 -2.103 1.00 0.00 O ATOM 607 CB ASP A 39 17.642 2.711 1.226 1.00 0.00 C ATOM 608 CG ASP A 39 18.987 3.090 1.853 1.00 0.00 C ATOM 609 OD1 ASP A 39 19.694 4.005 1.378 1.00 0.00 O ATOM 610 OD2 ASP A 39 19.327 2.431 2.858 1.00 0.00 O ATOM 0 H ASP A 39 15.273 2.823 0.660 1.00 0.00 H new ATOM 0 HA ASP A 39 17.346 4.690 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 39 16.898 2.647 2.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 17.732 1.715 0.793 1.00 0.00 H new ATOM 616 N ASP A 40 19.054 3.726 -1.314 1.00 0.00 N ATOM 617 CA ASP A 40 19.841 3.551 -2.531 1.00 0.00 C ATOM 618 C ASP A 40 20.374 2.125 -2.634 1.00 0.00 C ATOM 619 O ASP A 40 20.775 1.672 -3.699 1.00 0.00 O ATOM 620 CB ASP A 40 20.934 4.613 -2.590 1.00 0.00 C ATOM 621 CG ASP A 40 20.389 5.992 -2.979 1.00 0.00 C ATOM 622 OD1 ASP A 40 21.224 6.912 -3.161 1.00 0.00 O ATOM 623 OD2 ASP A 40 19.154 6.171 -3.122 1.00 0.00 O ATOM 0 H ASP A 40 19.577 4.163 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 40 19.207 3.693 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.424 4.680 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.693 4.309 -3.310 1.00 0.00 H new ATOM 629 N GLN A 41 20.244 1.358 -1.553 1.00 0.00 N ATOM 630 CA GLN A 41 20.309 -0.094 -1.559 1.00 0.00 C ATOM 631 C GLN A 41 18.927 -0.707 -1.858 1.00 0.00 C ATOM 632 O GLN A 41 18.694 -1.866 -1.534 1.00 0.00 O ATOM 633 CB GLN A 41 20.946 -0.574 -0.241 1.00 0.00 C ATOM 634 CG GLN A 41 22.315 0.019 0.144 1.00 0.00 C ATOM 635 CD GLN A 41 23.453 -0.296 -0.820 1.00 0.00 C ATOM 636 OE1 GLN A 41 23.316 0.065 -2.074 1.00 0.00 O flip ATOM 637 NE2 GLN A 41 24.476 -0.864 -0.455 1.00 0.00 N flip ATOM 0 H GLN A 41 20.086 1.746 -0.623 1.00 0.00 H new ATOM 0 HA GLN A 41 20.950 -0.446 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.247 -0.360 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 41 21.051 -1.658 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 41 22.215 1.102 0.222 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.587 -0.348 1.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 24.583 -1.145 0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 41 25.220 -1.056 -1.126 1.00 0.00 H new ATOM 646 N ASN A 42 17.993 0.049 -2.450 1.00 0.00 N ATOM 647 CA ASN A 42 16.655 -0.334 -2.915 1.00 0.00 C ATOM 648 C ASN A 42 15.859 -1.040 -1.820 1.00 0.00 C ATOM 649 O ASN A 42 15.031 -1.917 -2.085 1.00 0.00 O ATOM 650 CB ASN A 42 16.693 -1.144 -4.216 1.00 0.00 C ATOM 651 CG ASN A 42 17.252 -0.376 -5.383 1.00 0.00 C ATOM 652 OD1 ASN A 42 17.087 0.834 -5.481 1.00 0.00 O ATOM 653 ND2 ASN A 42 17.794 -1.074 -6.351 1.00 0.00 N ATOM 0 H ASN A 42 18.173 1.036 -2.632 1.00 0.00 H new ATOM 0 HA ASN A 42 16.129 0.591 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 42 17.293 -2.040 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN A 42 15.683 -1.475 -4.459 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.089 -0.611 -7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.921 -2.081 -6.245 1.00 0.00 H new ATOM 660 N ASN A 43 16.100 -0.624 -0.575 1.00 0.00 N ATOM 661 CA ASN A 43 15.312 -1.018 0.582 1.00 0.00 C ATOM 662 C ASN A 43 13.999 -0.254 0.448 1.00 0.00 C ATOM 663 O ASN A 43 13.957 0.940 0.746 1.00 0.00 O ATOM 664 CB ASN A 43 15.995 -0.617 1.906 1.00 0.00 C ATOM 665 CG ASN A 43 17.345 -1.251 2.256 1.00 0.00 C ATOM 666 OD1 ASN A 43 17.609 -1.472 3.433 1.00 0.00 O ATOM 667 ND2 ASN A 43 18.241 -1.487 1.310 1.00 0.00 N ATOM 0 H ASN A 43 16.866 0.009 -0.344 1.00 0.00 H new ATOM 0 HA ASN A 43 15.182 -2.100 0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 43 16.130 0.465 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.303 -0.843 2.717 1.00 0.00 H new ATOM 0 HD21 ASN A 43 19.159 -1.856 1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 43 18.013 -1.300 0.334 1.00 0.00 H new ATOM 674 N VAL A 44 12.983 -0.880 -0.134 1.00 0.00 N ATOM 675 CA VAL A 44 11.675 -0.276 -0.329 1.00 0.00 C ATOM 676 C VAL A 44 10.970 -0.246 1.028 1.00 0.00 C ATOM 677 O VAL A 44 10.733 -1.315 1.597 1.00 0.00 O ATOM 678 CB VAL A 44 10.953 -1.107 -1.407 1.00 0.00 C ATOM 679 CG1 VAL A 44 9.436 -0.875 -1.411 1.00 0.00 C ATOM 680 CG2 VAL A 44 11.538 -0.784 -2.792 1.00 0.00 C ATOM 0 H VAL A 44 13.048 -1.834 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 44 11.708 0.754 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 44 11.116 -2.158 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.977 -1.485 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.023 -1.153 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.229 0.177 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.024 -1.374 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.404 0.277 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.601 -1.025 -2.803 1.00 0.00 H new ATOM 690 N LYS A 45 10.663 0.948 1.568 1.00 0.00 N ATOM 691 CA LYS A 45 10.282 1.077 2.966 1.00 0.00 C ATOM 692 C LYS A 45 9.099 2.011 3.114 1.00 0.00 C ATOM 693 O LYS A 45 9.189 3.215 2.860 1.00 0.00 O ATOM 694 CB LYS A 45 11.518 1.529 3.733 1.00 0.00 C ATOM 695 CG LYS A 45 11.213 1.994 5.153 1.00 0.00 C ATOM 696 CD LYS A 45 12.431 1.714 6.032 1.00 0.00 C ATOM 697 CE LYS A 45 12.211 2.606 7.230 1.00 0.00 C ATOM 698 NZ LYS A 45 13.307 2.517 8.214 1.00 0.00 N ATOM 0 H LYS A 45 10.674 1.827 1.051 1.00 0.00 H new ATOM 0 HA LYS A 45 9.945 0.127 3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.232 0.707 3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.998 2.342 3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.979 3.058 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.338 1.472 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.487 0.664 6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.361 1.954 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.111 3.639 6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.272 2.335 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.106 3.148 9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.388 1.538 8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.201 2.802 7.765 1.00 0.00 H new ATOM 712 N VAL A 46 7.973 1.436 3.503 1.00 0.00 N ATOM 713 CA VAL A 46 6.676 2.075 3.396 1.00 0.00 C ATOM 714 C VAL A 46 6.008 2.053 4.755 1.00 0.00 C ATOM 715 O VAL A 46 5.841 0.982 5.327 1.00 0.00 O ATOM 716 CB VAL A 46 5.815 1.359 2.336 1.00 0.00 C ATOM 717 CG1 VAL A 46 4.546 2.185 2.100 1.00 0.00 C ATOM 718 CG2 VAL A 46 6.563 1.147 1.010 1.00 0.00 C ATOM 0 H VAL A 46 7.936 0.500 3.907 1.00 0.00 H new ATOM 0 HA VAL A 46 6.794 3.110 3.077 1.00 0.00 H new ATOM 0 HB VAL A 46 5.566 0.367 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.925 1.692 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.990 2.272 3.033 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.819 3.179 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.910 0.639 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.861 2.113 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.450 0.539 1.186 1.00 0.00 H new ATOM 728 N LEU A 47 5.566 3.218 5.225 1.00 0.00 N ATOM 729 CA LEU A 47 4.556 3.327 6.263 1.00 0.00 C ATOM 730 C LEU A 47 3.237 3.102 5.569 1.00 0.00 C ATOM 731 O LEU A 47 2.748 3.977 4.854 1.00 0.00 O ATOM 732 CB LEU A 47 4.625 4.681 6.979 1.00 0.00 C ATOM 733 CG LEU A 47 5.414 4.578 8.290 1.00 0.00 C ATOM 734 CD1 LEU A 47 6.877 4.152 8.104 1.00 0.00 C ATOM 735 CD2 LEU A 47 5.368 5.918 9.031 1.00 0.00 C ATOM 0 H LEU A 47 5.906 4.119 4.889 1.00 0.00 H new ATOM 0 HA LEU A 47 4.706 2.592 7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.095 5.417 6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.616 5.037 7.186 1.00 0.00 H new ATOM 0 HG LEU A 47 4.931 3.793 8.872 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.368 4.102 9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.913 3.172 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.391 4.879 7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.930 5.839 9.961 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.809 6.695 8.406 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.332 6.175 9.254 1.00 0.00 H new ATOM 747 N MET A 48 2.686 1.908 5.751 1.00 0.00 N ATOM 748 CA MET A 48 1.309 1.620 5.433 1.00 0.00 C ATOM 749 C MET A 48 0.616 1.212 6.727 1.00 0.00 C ATOM 750 O MET A 48 1.204 1.165 7.818 1.00 0.00 O ATOM 751 CB MET A 48 1.224 0.550 4.325 1.00 0.00 C ATOM 752 CG MET A 48 -0.013 0.765 3.440 1.00 0.00 C ATOM 753 SD MET A 48 -0.202 -0.382 2.055 1.00 0.00 S ATOM 754 CE MET A 48 -1.304 -1.588 2.845 1.00 0.00 C ATOM 0 H MET A 48 3.196 1.109 6.128 1.00 0.00 H new ATOM 0 HA MET A 48 0.798 2.494 5.029 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.124 0.586 3.711 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.184 -0.442 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.901 0.696 4.068 1.00 0.00 H new ATOM 0 HG3 MET A 48 0.019 1.780 3.044 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.538 -2.384 2.139 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.812 -2.012 3.720 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.225 -1.093 3.152 1.00 0.00 H new ATOM 764 N THR A 49 -0.674 0.971 6.598 1.00 0.00 N ATOM 765 CA THR A 49 -1.524 0.390 7.615 1.00 0.00 C ATOM 766 C THR A 49 -2.735 -0.216 6.884 1.00 0.00 C ATOM 767 O THR A 49 -2.685 -0.389 5.663 1.00 0.00 O ATOM 768 CB THR A 49 -1.804 1.457 8.685 1.00 0.00 C ATOM 769 OG1 THR A 49 -2.504 0.893 9.772 1.00 0.00 O ATOM 770 CG2 THR A 49 -2.547 2.667 8.137 1.00 0.00 C ATOM 0 H THR A 49 -1.181 1.186 5.739 1.00 0.00 H new ATOM 0 HA THR A 49 -1.078 -0.430 8.178 1.00 0.00 H new ATOM 0 HB THR A 49 -0.835 1.818 9.030 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.006 1.053 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.715 3.385 8.940 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.953 3.134 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.506 2.350 7.727 1.00 0.00 H new ATOM 778 N MET A 50 -3.789 -0.582 7.611 1.00 0.00 N ATOM 779 CA MET A 50 -5.071 -1.034 7.077 1.00 0.00 C ATOM 780 C MET A 50 -6.139 -0.026 7.495 1.00 0.00 C ATOM 781 O MET A 50 -5.918 0.754 8.431 1.00 0.00 O ATOM 782 CB MET A 50 -5.386 -2.435 7.636 1.00 0.00 C ATOM 783 CG MET A 50 -4.698 -3.531 6.821 1.00 0.00 C ATOM 784 SD MET A 50 -5.464 -3.780 5.208 1.00 0.00 S ATOM 785 CE MET A 50 -4.098 -4.557 4.318 1.00 0.00 C ATOM 0 H MET A 50 -3.772 -0.571 8.631 1.00 0.00 H new ATOM 0 HA MET A 50 -5.043 -1.100 5.989 1.00 0.00 H new ATOM 0 HB2 MET A 50 -5.062 -2.495 8.675 1.00 0.00 H new ATOM 0 HB3 MET A 50 -6.464 -2.597 7.629 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.648 -3.272 6.684 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.726 -4.466 7.380 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.318 -4.567 3.251 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.182 -3.993 4.494 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.968 -5.580 4.672 1.00 0.00 H new ATOM 795 N THR A 51 -7.324 -0.068 6.873 1.00 0.00 N ATOM 796 CA THR A 51 -8.475 0.680 7.384 1.00 0.00 C ATOM 797 C THR A 51 -8.702 0.329 8.855 1.00 0.00 C ATOM 798 O THR A 51 -8.905 1.229 9.678 1.00 0.00 O ATOM 799 CB THR A 51 -9.739 0.462 6.520 1.00 0.00 C ATOM 800 OG1 THR A 51 -10.875 1.111 7.050 1.00 0.00 O ATOM 801 CG2 THR A 51 -10.112 -0.991 6.215 1.00 0.00 C ATOM 0 H THR A 51 -7.508 -0.605 6.026 1.00 0.00 H new ATOM 0 HA THR A 51 -8.257 1.746 7.318 1.00 0.00 H new ATOM 0 HB THR A 51 -9.441 0.911 5.573 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.775 2.081 6.949 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.014 -1.014 5.603 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.295 -1.471 5.676 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.293 -1.524 7.149 1.00 0.00 H new ATOM 809 N THR A 52 -8.678 -0.965 9.187 1.00 0.00 N ATOM 810 CA THR A 52 -9.102 -1.465 10.484 1.00 0.00 C ATOM 811 C THR A 52 -8.357 -2.772 10.787 1.00 0.00 C ATOM 812 O THR A 52 -8.105 -3.536 9.854 1.00 0.00 O ATOM 813 CB THR A 52 -10.621 -1.728 10.426 1.00 0.00 C ATOM 814 OG1 THR A 52 -10.924 -2.709 9.447 1.00 0.00 O ATOM 815 CG2 THR A 52 -11.448 -0.491 10.050 1.00 0.00 C ATOM 0 H THR A 52 -8.359 -1.697 8.552 1.00 0.00 H new ATOM 0 HA THR A 52 -8.880 -0.740 11.267 1.00 0.00 H new ATOM 0 HB THR A 52 -10.882 -2.048 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.107 -2.951 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.506 -0.753 10.029 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.283 0.295 10.787 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.143 -0.135 9.066 1.00 0.00 H new ATOM 823 N PRO A 53 -8.115 -3.146 12.053 1.00 0.00 N ATOM 824 CA PRO A 53 -7.527 -4.440 12.389 1.00 0.00 C ATOM 825 C PRO A 53 -8.484 -5.632 12.187 1.00 0.00 C ATOM 826 O PRO A 53 -8.039 -6.777 12.306 1.00 0.00 O ATOM 827 CB PRO A 53 -7.055 -4.304 13.839 1.00 0.00 C ATOM 828 CG PRO A 53 -7.986 -3.244 14.420 1.00 0.00 C ATOM 829 CD PRO A 53 -8.305 -2.331 13.240 1.00 0.00 C ATOM 0 HA PRO A 53 -6.703 -4.672 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.136 -5.248 14.378 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.011 -3.995 13.894 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.890 -3.692 14.832 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -7.506 -2.694 15.229 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.327 -1.957 13.299 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.647 -1.462 13.228 1.00 0.00 H new ATOM 837 N MET A 54 -9.766 -5.403 11.858 1.00 0.00 N ATOM 838 CA MET A 54 -10.748 -6.469 11.608 1.00 0.00 C ATOM 839 C MET A 54 -10.646 -7.078 10.202 1.00 0.00 C ATOM 840 O MET A 54 -11.489 -7.900 9.848 1.00 0.00 O ATOM 841 CB MET A 54 -12.192 -5.994 11.883 1.00 0.00 C ATOM 842 CG MET A 54 -12.669 -4.872 10.952 1.00 0.00 C ATOM 843 SD MET A 54 -14.454 -4.549 10.982 1.00 0.00 S ATOM 844 CE MET A 54 -14.483 -3.042 9.977 1.00 0.00 C ATOM 0 H MET A 54 -10.152 -4.464 11.757 1.00 0.00 H new ATOM 0 HA MET A 54 -10.498 -7.260 12.315 1.00 0.00 H new ATOM 0 HB2 MET A 54 -12.868 -6.844 11.786 1.00 0.00 H new ATOM 0 HB3 MET A 54 -12.260 -5.649 12.915 1.00 0.00 H new ATOM 0 HG2 MET A 54 -12.145 -3.954 11.218 1.00 0.00 H new ATOM 0 HG3 MET A 54 -12.378 -5.120 9.931 1.00 0.00 H new ATOM 0 HE1 MET A 54 -15.469 -2.923 9.527 1.00 0.00 H new ATOM 0 HE2 MET A 54 -14.266 -2.180 10.608 1.00 0.00 H new ATOM 0 HE3 MET A 54 -13.732 -3.115 9.190 1.00 0.00 H new ATOM 854 N CYS A 55 -9.688 -6.649 9.369 1.00 0.00 N ATOM 855 CA CYS A 55 -9.642 -7.086 7.984 1.00 0.00 C ATOM 856 C CYS A 55 -9.579 -8.619 7.876 1.00 0.00 C ATOM 857 O CYS A 55 -8.887 -9.285 8.654 1.00 0.00 O ATOM 858 CB CYS A 55 -8.474 -6.431 7.259 1.00 0.00 C ATOM 859 SG CYS A 55 -8.834 -4.671 6.978 1.00 0.00 S ATOM 0 H CYS A 55 -8.944 -6.005 9.636 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.566 -6.770 7.500 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.563 -6.536 7.848 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.297 -6.932 6.307 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.598 -4.001 8.066 1.00 0.00 H new ATOM 865 N PRO A 56 -10.292 -9.192 6.899 1.00 0.00 N ATOM 866 CA PRO A 56 -10.906 -10.501 7.047 1.00 0.00 C ATOM 867 C PRO A 56 -9.873 -11.619 6.940 1.00 0.00 C ATOM 868 O PRO A 56 -9.725 -12.465 7.825 1.00 0.00 O ATOM 869 CB PRO A 56 -11.942 -10.573 5.921 1.00 0.00 C ATOM 870 CG PRO A 56 -11.428 -9.605 4.855 1.00 0.00 C ATOM 871 CD PRO A 56 -10.695 -8.544 5.665 1.00 0.00 C ATOM 0 HA PRO A 56 -11.363 -10.632 8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.028 -11.586 5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.931 -10.283 6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.763 -10.102 4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.245 -9.175 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.829 -8.167 5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.342 -7.690 5.866 1.00 0.00 H new ATOM 879 N LEU A 57 -9.126 -11.578 5.842 1.00 0.00 N ATOM 880 CA LEU A 57 -7.985 -12.410 5.530 1.00 0.00 C ATOM 881 C LEU A 57 -6.801 -11.479 5.338 1.00 0.00 C ATOM 882 O LEU A 57 -6.129 -11.479 4.307 1.00 0.00 O ATOM 883 CB LEU A 57 -8.294 -13.399 4.386 1.00 0.00 C ATOM 884 CG LEU A 57 -9.203 -12.905 3.238 1.00 0.00 C ATOM 885 CD1 LEU A 57 -8.617 -11.759 2.415 1.00 0.00 C ATOM 886 CD2 LEU A 57 -9.519 -14.073 2.312 1.00 0.00 C ATOM 0 H LEU A 57 -9.323 -10.911 5.096 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.725 -13.091 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.346 -13.716 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.756 -14.284 4.823 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.101 -12.510 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -9.321 -11.476 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.432 -10.903 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.679 -12.079 1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.160 -13.730 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.592 -14.471 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.031 -14.854 2.874 1.00 0.00 H new ATOM 898 N ALA A 58 -6.566 -10.669 6.379 1.00 0.00 N ATOM 899 CA ALA A 58 -5.496 -9.692 6.458 1.00 0.00 C ATOM 900 C ALA A 58 -4.182 -10.294 5.973 1.00 0.00 C ATOM 901 O ALA A 58 -3.534 -9.739 5.097 1.00 0.00 O ATOM 902 CB ALA A 58 -5.322 -9.230 7.905 1.00 0.00 C ATOM 0 H ALA A 58 -7.145 -10.685 7.218 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.759 -8.846 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.517 -8.497 7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.249 -8.778 8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.075 -10.086 8.533 1.00 0.00 H new ATOM 908 N GLY A 59 -3.805 -11.452 6.516 1.00 0.00 N ATOM 909 CA GLY A 59 -2.540 -12.101 6.207 1.00 0.00 C ATOM 910 C GLY A 59 -2.395 -12.450 4.732 1.00 0.00 C ATOM 911 O GLY A 59 -1.269 -12.573 4.261 1.00 0.00 O ATOM 0 H GLY A 59 -4.376 -11.966 7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.720 -11.446 6.502 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.450 -13.011 6.800 1.00 0.00 H new ATOM 915 N MET A 60 -3.493 -12.612 3.993 1.00 0.00 N ATOM 916 CA MET A 60 -3.455 -12.843 2.559 1.00 0.00 C ATOM 917 C MET A 60 -3.358 -11.516 1.810 1.00 0.00 C ATOM 918 O MET A 60 -2.528 -11.398 0.913 1.00 0.00 O ATOM 919 CB MET A 60 -4.680 -13.670 2.137 1.00 0.00 C ATOM 920 CG MET A 60 -4.245 -14.921 1.370 1.00 0.00 C ATOM 921 SD MET A 60 -3.164 -16.044 2.311 1.00 0.00 S ATOM 922 CE MET A 60 -1.816 -16.251 1.113 1.00 0.00 C ATOM 0 H MET A 60 -4.436 -12.586 4.380 1.00 0.00 H new ATOM 0 HA MET A 60 -2.565 -13.417 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 60 -5.253 -13.958 3.019 1.00 0.00 H new ATOM 0 HB3 MET A 60 -5.338 -13.064 1.513 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.134 -15.469 1.059 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.726 -14.613 0.462 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.058 -16.915 1.529 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.210 -16.681 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.369 -15.281 0.897 1.00 0.00 H new ATOM 932 N ILE A 61 -4.138 -10.505 2.210 1.00 0.00 N ATOM 933 CA ILE A 61 -4.098 -9.168 1.617 1.00 0.00 C ATOM 934 C ILE A 61 -2.669 -8.609 1.735 1.00 0.00 C ATOM 935 O ILE A 61 -2.085 -8.182 0.741 1.00 0.00 O ATOM 936 CB ILE A 61 -5.152 -8.245 2.284 1.00 0.00 C ATOM 937 CG1 ILE A 61 -6.598 -8.763 2.123 1.00 0.00 C ATOM 938 CG2 ILE A 61 -5.073 -6.843 1.670 1.00 0.00 C ATOM 939 CD1 ILE A 61 -7.596 -8.109 3.093 1.00 0.00 C ATOM 0 H ILE A 61 -4.821 -10.596 2.962 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.355 -9.219 0.559 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.918 -8.227 3.348 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.928 -8.584 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.608 -9.842 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.814 -6.197 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.077 -6.430 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.271 -6.903 0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.591 -8.520 2.923 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.290 -8.310 4.120 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.615 -7.032 2.924 1.00 0.00 H new ATOM 951 N LEU A 62 -2.092 -8.636 2.939 1.00 0.00 N ATOM 952 CA LEU A 62 -0.753 -8.139 3.239 1.00 0.00 C ATOM 953 C LEU A 62 0.319 -8.951 2.501 1.00 0.00 C ATOM 954 O LEU A 62 1.375 -8.416 2.158 1.00 0.00 O ATOM 955 CB LEU A 62 -0.486 -8.226 4.755 1.00 0.00 C ATOM 956 CG LEU A 62 -1.409 -7.397 5.667 1.00 0.00 C ATOM 957 CD1 LEU A 62 -1.188 -7.792 7.130 1.00 0.00 C ATOM 958 CD2 LEU A 62 -1.185 -5.894 5.538 1.00 0.00 C ATOM 0 H LEU A 62 -2.564 -9.019 3.759 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.702 -7.102 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.561 -9.271 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.542 -7.915 4.938 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.429 -7.614 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.844 -7.202 7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.412 -8.851 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.150 -7.605 7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.866 -5.366 6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.156 -5.655 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.373 -5.585 4.510 1.00 0.00 H new ATOM 970 N SER A 63 0.087 -10.246 2.270 1.00 0.00 N ATOM 971 CA SER A 63 1.003 -11.089 1.514 1.00 0.00 C ATOM 972 C SER A 63 0.975 -10.666 0.043 1.00 0.00 C ATOM 973 O SER A 63 2.022 -10.574 -0.590 1.00 0.00 O ATOM 974 CB SER A 63 0.620 -12.560 1.727 1.00 0.00 C ATOM 975 OG SER A 63 1.579 -13.486 1.255 1.00 0.00 O ATOM 0 H SER A 63 -0.743 -10.735 2.604 1.00 0.00 H new ATOM 0 HA SER A 63 2.030 -10.971 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.460 -12.731 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.330 -12.752 1.227 1.00 0.00 H new ATOM 0 HG SER A 63 1.265 -14.398 1.427 1.00 0.00 H new ATOM 981 N ASP A 64 -0.195 -10.356 -0.514 1.00 0.00 N ATOM 982 CA ASP A 64 -0.289 -9.929 -1.903 1.00 0.00 C ATOM 983 C ASP A 64 0.244 -8.508 -2.094 1.00 0.00 C ATOM 984 O ASP A 64 0.788 -8.191 -3.147 1.00 0.00 O ATOM 985 CB ASP A 64 -1.717 -10.071 -2.430 1.00 0.00 C ATOM 986 CG ASP A 64 -1.744 -10.700 -3.824 1.00 0.00 C ATOM 987 OD1 ASP A 64 -2.549 -10.227 -4.654 1.00 0.00 O ATOM 988 OD2 ASP A 64 -1.093 -11.745 -4.075 1.00 0.00 O ATOM 0 H ASP A 64 -1.088 -10.394 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 64 0.346 -10.590 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.300 -10.684 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.192 -9.091 -2.464 1.00 0.00 H new ATOM 994 N ALA A 65 0.181 -7.658 -1.064 1.00 0.00 N ATOM 995 CA ALA A 65 0.865 -6.368 -1.085 1.00 0.00 C ATOM 996 C ALA A 65 2.375 -6.588 -1.248 1.00 0.00 C ATOM 997 O ALA A 65 3.002 -5.964 -2.108 1.00 0.00 O ATOM 998 CB ALA A 65 0.538 -5.568 0.180 1.00 0.00 C ATOM 0 H ALA A 65 -0.338 -7.844 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 65 0.515 -5.783 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.056 -4.609 0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.537 -5.398 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.862 -6.127 1.058 1.00 0.00 H new ATOM 1004 N GLU A 66 2.963 -7.505 -0.472 1.00 0.00 N ATOM 1005 CA GLU A 66 4.341 -7.929 -0.632 1.00 0.00 C ATOM 1006 C GLU A 66 4.584 -8.446 -2.054 1.00 0.00 C ATOM 1007 O GLU A 66 5.620 -8.139 -2.633 1.00 0.00 O ATOM 1008 CB GLU A 66 4.666 -9.017 0.406 1.00 0.00 C ATOM 1009 CG GLU A 66 6.168 -9.107 0.683 1.00 0.00 C ATOM 1010 CD GLU A 66 6.625 -10.510 1.124 1.00 0.00 C ATOM 1011 OE1 GLU A 66 7.261 -10.666 2.189 1.00 0.00 O ATOM 1012 OE2 GLU A 66 6.355 -11.498 0.396 1.00 0.00 O ATOM 0 H GLU A 66 2.480 -7.975 0.294 1.00 0.00 H new ATOM 0 HA GLU A 66 4.999 -7.075 -0.470 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.137 -8.803 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.304 -9.981 0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.714 -8.821 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.431 -8.387 1.458 1.00 0.00 H new ATOM 1020 N GLU A 67 3.654 -9.213 -2.631 1.00 0.00 N ATOM 1021 CA GLU A 67 3.742 -9.785 -3.970 1.00 0.00 C ATOM 1022 C GLU A 67 3.964 -8.726 -5.049 1.00 0.00 C ATOM 1023 O GLU A 67 4.745 -8.950 -5.977 1.00 0.00 O ATOM 1024 CB GLU A 67 2.472 -10.600 -4.259 1.00 0.00 C ATOM 1025 CG GLU A 67 2.638 -11.579 -5.414 1.00 0.00 C ATOM 1026 CD GLU A 67 3.142 -12.926 -4.915 1.00 0.00 C ATOM 1027 OE1 GLU A 67 2.304 -13.820 -4.644 1.00 0.00 O ATOM 1028 OE2 GLU A 67 4.377 -13.089 -4.793 1.00 0.00 O ATOM 0 H GLU A 67 2.786 -9.460 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 67 4.615 -10.438 -3.998 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.189 -11.151 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.653 -9.917 -4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.684 -11.710 -5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.338 -11.172 -6.144 1.00 0.00 H new ATOM 1036 N ALA A 68 3.311 -7.572 -4.921 1.00 0.00 N ATOM 1037 CA ALA A 68 3.516 -6.468 -5.842 1.00 0.00 C ATOM 1038 C ALA A 68 4.886 -5.865 -5.575 1.00 0.00 C ATOM 1039 O ALA A 68 5.704 -5.751 -6.485 1.00 0.00 O ATOM 1040 CB ALA A 68 2.417 -5.417 -5.684 1.00 0.00 C ATOM 0 H ALA A 68 2.633 -7.382 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 68 3.470 -6.832 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.592 -4.600 -6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.448 -5.871 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.427 -5.030 -4.665 1.00 0.00 H new ATOM 1046 N ILE A 69 5.137 -5.487 -4.322 1.00 0.00 N ATOM 1047 CA ILE A 69 6.344 -4.784 -3.916 1.00 0.00 C ATOM 1048 C ILE A 69 7.596 -5.566 -4.331 1.00 0.00 C ATOM 1049 O ILE A 69 8.529 -4.978 -4.877 1.00 0.00 O ATOM 1050 CB ILE A 69 6.258 -4.488 -2.402 1.00 0.00 C ATOM 1051 CG1 ILE A 69 5.196 -3.389 -2.161 1.00 0.00 C ATOM 1052 CG2 ILE A 69 7.623 -4.061 -1.854 1.00 0.00 C ATOM 1053 CD1 ILE A 69 4.863 -3.161 -0.682 1.00 0.00 C ATOM 0 H ILE A 69 4.494 -5.666 -3.551 1.00 0.00 H new ATOM 0 HA ILE A 69 6.426 -3.826 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 69 5.962 -5.394 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.552 -2.453 -2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.283 -3.657 -2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.539 -3.858 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.346 -4.860 -2.015 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.957 -3.161 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.111 -2.376 -0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.476 -4.084 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.765 -2.861 -0.148 1.00 0.00 H new ATOM 1065 N LYS A 70 7.644 -6.878 -4.098 1.00 0.00 N ATOM 1066 CA LYS A 70 8.829 -7.680 -4.383 1.00 0.00 C ATOM 1067 C LYS A 70 9.101 -7.828 -5.882 1.00 0.00 C ATOM 1068 O LYS A 70 10.189 -8.270 -6.243 1.00 0.00 O ATOM 1069 CB LYS A 70 8.711 -9.054 -3.704 1.00 0.00 C ATOM 1070 CG LYS A 70 7.750 -9.999 -4.442 1.00 0.00 C ATOM 1071 CD LYS A 70 7.619 -11.363 -3.764 1.00 0.00 C ATOM 1072 CE LYS A 70 6.697 -11.274 -2.550 1.00 0.00 C ATOM 1073 NZ LYS A 70 5.728 -12.385 -2.521 1.00 0.00 N ATOM 0 H LYS A 70 6.866 -7.410 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 70 9.687 -7.148 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.698 -9.514 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.366 -8.920 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.766 -9.533 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.100 -10.139 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.226 -12.091 -4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.602 -11.718 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.294 -11.287 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.162 -10.324 -2.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.894 -12.104 -1.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.436 -12.617 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.169 -13.219 -2.084 1.00 0.00 H new ATOM 1087 N LYS A 71 8.154 -7.519 -6.776 1.00 0.00 N ATOM 1088 CA LYS A 71 8.334 -7.794 -8.188 1.00 0.00 C ATOM 1089 C LYS A 71 9.231 -6.752 -8.838 1.00 0.00 C ATOM 1090 O LYS A 71 9.660 -6.944 -9.973 1.00 0.00 O ATOM 1091 CB LYS A 71 6.963 -7.951 -8.832 1.00 0.00 C ATOM 1092 CG LYS A 71 6.413 -6.733 -9.579 1.00 0.00 C ATOM 1093 CD LYS A 71 5.208 -7.189 -10.388 1.00 0.00 C ATOM 1094 CE LYS A 71 3.982 -7.482 -9.509 1.00 0.00 C ATOM 1095 NZ LYS A 71 2.832 -8.011 -10.273 1.00 0.00 N ATOM 0 H LYS A 71 7.264 -7.081 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 71 8.864 -8.735 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.008 -8.787 -9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.250 -8.224 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.127 -5.951 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.175 -6.310 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.952 -6.420 -11.117 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.470 -8.086 -10.950 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.259 -8.201 -8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.681 -6.567 -8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.037 -8.189 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.544 -7.317 -10.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.104 -8.900 -10.739 1.00 0.00 H new ATOM 1109 N ILE A 72 9.510 -5.646 -8.148 1.00 0.00 N ATOM 1110 CA ILE A 72 10.083 -4.445 -8.726 1.00 0.00 C ATOM 1111 C ILE A 72 11.609 -4.608 -8.818 1.00 0.00 C ATOM 1112 O ILE A 72 12.353 -3.872 -8.173 1.00 0.00 O ATOM 1113 CB ILE A 72 9.661 -3.189 -7.928 1.00 0.00 C ATOM 1114 CG1 ILE A 72 8.167 -3.170 -7.545 1.00 0.00 C ATOM 1115 CG2 ILE A 72 9.971 -1.927 -8.758 1.00 0.00 C ATOM 1116 CD1 ILE A 72 7.897 -2.152 -6.437 1.00 0.00 C ATOM 0 H ILE A 72 9.337 -5.565 -7.146 1.00 0.00 H new ATOM 0 HA ILE A 72 9.699 -4.301 -9.736 1.00 0.00 H new ATOM 0 HB ILE A 72 10.231 -3.211 -6.999 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.567 -2.926 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.860 -4.162 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.674 -1.041 -8.197 1.00 0.00 H new ATOM 0 HG22 ILE A 72 11.040 -1.883 -8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 72 9.418 -1.964 -9.697 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.836 -2.160 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.480 -2.412 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.182 -1.157 -6.780 1.00 0.00 H new ATOM 1128 N GLU A 73 12.057 -5.611 -9.577 1.00 0.00 N ATOM 1129 CA GLU A 73 13.322 -5.797 -10.311 1.00 0.00 C ATOM 1130 C GLU A 73 14.554 -5.018 -9.828 1.00 0.00 C ATOM 1131 O GLU A 73 15.386 -4.558 -10.614 1.00 0.00 O ATOM 1132 CB GLU A 73 13.014 -5.565 -11.803 1.00 0.00 C ATOM 1133 CG GLU A 73 12.749 -4.079 -12.125 1.00 0.00 C ATOM 1134 CD GLU A 73 11.978 -3.890 -13.431 1.00 0.00 C ATOM 1135 OE1 GLU A 73 10.764 -3.562 -13.350 1.00 0.00 O ATOM 1136 OE2 GLU A 73 12.572 -4.024 -14.528 1.00 0.00 O ATOM 0 H GLU A 73 11.460 -6.427 -9.712 1.00 0.00 H new ATOM 0 HA GLU A 73 13.654 -6.815 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 73 13.851 -5.920 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.144 -6.156 -12.088 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.187 -3.628 -11.307 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.700 -3.550 -12.188 1.00 0.00 H new ATOM 1144 N GLY A 74 14.757 -4.976 -8.521 1.00 0.00 N ATOM 1145 CA GLY A 74 15.652 -3.996 -7.927 1.00 0.00 C ATOM 1146 C GLY A 74 15.489 -3.928 -6.416 1.00 0.00 C ATOM 1147 O GLY A 74 16.475 -3.777 -5.705 1.00 0.00 O ATOM 0 H GLY A 74 14.315 -5.607 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.683 -4.250 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.455 -3.015 -8.359 1.00 0.00 H new ATOM 1151 N VAL A 75 14.246 -4.090 -5.952 1.00 0.00 N ATOM 1152 CA VAL A 75 13.697 -4.271 -4.607 1.00 0.00 C ATOM 1153 C VAL A 75 14.421 -5.281 -3.710 1.00 0.00 C ATOM 1154 O VAL A 75 14.003 -6.411 -3.467 1.00 0.00 O ATOM 1155 CB VAL A 75 12.187 -4.409 -4.673 1.00 0.00 C ATOM 1156 CG1 VAL A 75 11.824 -5.733 -5.316 1.00 0.00 C ATOM 1157 CG2 VAL A 75 11.596 -4.256 -3.274 1.00 0.00 C ATOM 0 H VAL A 75 13.480 -4.098 -6.626 1.00 0.00 H new ATOM 0 HA VAL A 75 13.913 -3.356 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 75 11.761 -3.620 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.739 -5.830 -5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.235 -5.772 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 75 12.236 -6.550 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.512 -4.355 -3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.001 -5.029 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.852 -3.274 -2.876 1.00 0.00 H new ATOM 1167 N ASN A 76 15.650 -4.941 -3.414 1.00 0.00 N ATOM 1168 CA ASN A 76 16.592 -5.623 -2.555 1.00 0.00 C ATOM 1169 C ASN A 76 15.927 -6.269 -1.342 1.00 0.00 C ATOM 1170 O ASN A 76 16.116 -7.457 -1.092 1.00 0.00 O ATOM 1171 CB ASN A 76 17.542 -4.532 -2.135 1.00 0.00 C ATOM 1172 CG ASN A 76 18.680 -5.067 -1.292 1.00 0.00 C ATOM 1173 OD1 ASN A 76 19.620 -5.647 -1.831 1.00 0.00 O ATOM 1174 ND2 ASN A 76 18.623 -4.920 0.015 1.00 0.00 N ATOM 0 H ASN A 76 16.059 -4.094 -3.808 1.00 0.00 H new ATOM 0 HA ASN A 76 17.081 -6.451 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.946 -4.042 -3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.998 -3.774 -1.571 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.369 -5.291 0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 76 17.833 -4.435 0.440 1.00 0.00 H new ATOM 1181 N ASN A 77 15.186 -5.473 -0.578 1.00 0.00 N ATOM 1182 CA ASN A 77 14.405 -5.859 0.584 1.00 0.00 C ATOM 1183 C ASN A 77 13.138 -5.019 0.714 1.00 0.00 C ATOM 1184 O ASN A 77 12.958 -4.019 0.013 1.00 0.00 O ATOM 1185 CB ASN A 77 15.242 -5.720 1.852 1.00 0.00 C ATOM 1186 CG ASN A 77 15.740 -4.324 2.128 1.00 0.00 C ATOM 1187 OD1 ASN A 77 16.431 -3.769 1.288 1.00 0.00 O ATOM 1188 ND2 ASN A 77 15.465 -3.780 3.300 1.00 0.00 N ATOM 0 H ASN A 77 15.113 -4.474 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 77 14.111 -6.900 0.451 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.647 -6.054 2.702 1.00 0.00 H new ATOM 0 HB3 ASN A 77 16.099 -6.389 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.835 -2.859 3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.883 -4.281 3.971 1.00 0.00 H new ATOM 1195 N VAL A 78 12.262 -5.462 1.620 1.00 0.00 N ATOM 1196 CA VAL A 78 10.833 -5.190 1.619 1.00 0.00 C ATOM 1197 C VAL A 78 10.421 -4.824 3.055 1.00 0.00 C ATOM 1198 O VAL A 78 10.076 -5.685 3.870 1.00 0.00 O ATOM 1199 CB VAL A 78 10.114 -6.438 1.030 1.00 0.00 C ATOM 1200 CG1 VAL A 78 8.592 -6.259 0.995 1.00 0.00 C ATOM 1201 CG2 VAL A 78 10.597 -6.770 -0.398 1.00 0.00 C ATOM 0 H VAL A 78 12.548 -6.045 2.406 1.00 0.00 H new ATOM 0 HA VAL A 78 10.549 -4.344 0.993 1.00 0.00 H new ATOM 0 HB VAL A 78 10.369 -7.262 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.130 -7.153 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.221 -6.099 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.341 -5.398 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.067 -7.648 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.398 -5.924 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.668 -6.973 -0.382 1.00 0.00 H new ATOM 1211 N GLU A 79 10.537 -3.545 3.408 1.00 0.00 N ATOM 1212 CA GLU A 79 10.349 -3.005 4.757 1.00 0.00 C ATOM 1213 C GLU A 79 8.929 -2.423 4.850 1.00 0.00 C ATOM 1214 O GLU A 79 8.732 -1.211 4.992 1.00 0.00 O ATOM 1215 CB GLU A 79 11.425 -1.937 5.025 1.00 0.00 C ATOM 1216 CG GLU A 79 12.848 -2.482 5.179 1.00 0.00 C ATOM 1217 CD GLU A 79 13.152 -2.903 6.615 1.00 0.00 C ATOM 1218 OE1 GLU A 79 13.760 -2.098 7.358 1.00 0.00 O ATOM 1219 OE2 GLU A 79 12.835 -4.061 6.973 1.00 0.00 O ATOM 0 H GLU A 79 10.776 -2.821 2.730 1.00 0.00 H new ATOM 0 HA GLU A 79 10.455 -3.782 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.414 -1.217 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.159 -1.393 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.982 -3.336 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.563 -1.721 4.866 1.00 0.00 H new ATOM 1227 N VAL A 80 7.918 -3.282 4.738 1.00 0.00 N ATOM 1228 CA VAL A 80 6.519 -2.865 4.800 1.00 0.00 C ATOM 1229 C VAL A 80 6.163 -2.678 6.278 1.00 0.00 C ATOM 1230 O VAL A 80 5.964 -3.655 7.005 1.00 0.00 O ATOM 1231 CB VAL A 80 5.601 -3.888 4.089 1.00 0.00 C ATOM 1232 CG1 VAL A 80 4.142 -3.405 4.058 1.00 0.00 C ATOM 1233 CG2 VAL A 80 6.047 -4.140 2.638 1.00 0.00 C ATOM 0 H VAL A 80 8.045 -4.285 4.602 1.00 0.00 H new ATOM 0 HA VAL A 80 6.368 -1.924 4.271 1.00 0.00 H new ATOM 0 HB VAL A 80 5.676 -4.812 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.524 -4.147 3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.782 -3.268 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.084 -2.457 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.378 -4.864 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.015 -3.204 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.065 -4.531 2.633 1.00 0.00 H new ATOM 1243 N GLU A 81 6.122 -1.433 6.736 1.00 0.00 N ATOM 1244 CA GLU A 81 5.712 -1.072 8.080 1.00 0.00 C ATOM 1245 C GLU A 81 4.190 -1.095 8.117 1.00 0.00 C ATOM 1246 O GLU A 81 3.527 -0.648 7.176 1.00 0.00 O ATOM 1247 CB GLU A 81 6.259 0.323 8.397 1.00 0.00 C ATOM 1248 CG GLU A 81 6.219 0.761 9.864 1.00 0.00 C ATOM 1249 CD GLU A 81 7.617 0.752 10.481 1.00 0.00 C ATOM 1250 OE1 GLU A 81 8.471 1.598 10.111 1.00 0.00 O ATOM 1251 OE2 GLU A 81 7.871 -0.116 11.345 1.00 0.00 O ATOM 0 H GLU A 81 6.380 -0.628 6.165 1.00 0.00 H new ATOM 0 HA GLU A 81 6.098 -1.766 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.294 0.368 8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.698 1.050 7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.793 1.762 9.936 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.565 0.095 10.428 1.00 0.00 H new ATOM 1259 N LEU A 82 3.641 -1.602 9.214 1.00 0.00 N ATOM 1260 CA LEU A 82 2.219 -1.822 9.421 1.00 0.00 C ATOM 1261 C LEU A 82 1.847 -1.105 10.714 1.00 0.00 C ATOM 1262 O LEU A 82 1.787 -1.694 11.789 1.00 0.00 O ATOM 1263 CB LEU A 82 1.945 -3.335 9.422 1.00 0.00 C ATOM 1264 CG LEU A 82 0.451 -3.686 9.474 1.00 0.00 C ATOM 1265 CD1 LEU A 82 -0.278 -3.355 8.166 1.00 0.00 C ATOM 1266 CD2 LEU A 82 0.282 -5.188 9.724 1.00 0.00 C ATOM 0 H LEU A 82 4.202 -1.883 10.018 1.00 0.00 H new ATOM 0 HA LEU A 82 1.594 -1.414 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.383 -3.776 8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.446 -3.787 10.278 1.00 0.00 H new ATOM 0 HG LEU A 82 0.020 -3.090 10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.330 -3.623 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.192 -2.288 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.170 -3.918 7.347 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.779 -5.434 9.760 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.756 -5.747 8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.749 -5.454 10.673 1.00 0.00 H new ATOM 1278 N THR A 83 1.707 0.213 10.622 1.00 0.00 N ATOM 1279 CA THR A 83 1.592 1.105 11.765 1.00 0.00 C ATOM 1280 C THR A 83 0.152 1.051 12.281 1.00 0.00 C ATOM 1281 O THR A 83 -0.735 1.677 11.697 1.00 0.00 O ATOM 1282 CB THR A 83 1.994 2.502 11.292 1.00 0.00 C ATOM 1283 OG1 THR A 83 3.310 2.496 10.772 1.00 0.00 O ATOM 1284 CG2 THR A 83 1.915 3.568 12.385 1.00 0.00 C ATOM 0 H THR A 83 1.670 0.701 9.727 1.00 0.00 H new ATOM 0 HA THR A 83 2.243 0.816 12.590 1.00 0.00 H new ATOM 0 HB THR A 83 1.270 2.762 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 83 3.607 3.418 10.622 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.215 4.532 11.975 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.892 3.633 12.756 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.582 3.299 13.204 1.00 0.00 H new ATOM 1292 N PHE A 84 -0.114 0.318 13.357 1.00 0.00 N ATOM 1293 CA PHE A 84 -1.455 -0.162 13.682 1.00 0.00 C ATOM 1294 C PHE A 84 -2.132 0.670 14.778 1.00 0.00 C ATOM 1295 O PHE A 84 -3.002 0.189 15.511 1.00 0.00 O ATOM 1296 CB PHE A 84 -1.412 -1.671 14.005 1.00 0.00 C ATOM 1297 CG PHE A 84 -2.293 -2.515 13.103 1.00 0.00 C ATOM 1298 CD1 PHE A 84 -3.588 -2.088 12.745 1.00 0.00 C ATOM 1299 CD2 PHE A 84 -1.788 -3.719 12.581 1.00 0.00 C ATOM 1300 CE1 PHE A 84 -4.340 -2.826 11.819 1.00 0.00 C ATOM 1301 CE2 PHE A 84 -2.563 -4.479 11.685 1.00 0.00 C ATOM 1302 CZ PHE A 84 -3.826 -4.014 11.282 1.00 0.00 C ATOM 0 H PHE A 84 0.597 0.038 14.032 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.087 -0.029 12.804 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.383 -2.021 13.924 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.719 -1.820 15.040 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.001 -1.192 13.184 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.805 -4.061 12.868 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.317 -2.478 11.519 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.187 -5.419 11.308 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.401 -4.572 10.558 1.00 0.00 H new ATOM 1312 N ASP A 85 -1.704 1.916 14.949 1.00 0.00 N ATOM 1313 CA ASP A 85 -2.182 2.793 16.016 1.00 0.00 C ATOM 1314 C ASP A 85 -3.060 3.918 15.480 1.00 0.00 C ATOM 1315 O ASP A 85 -4.193 4.030 15.955 1.00 0.00 O ATOM 1316 CB ASP A 85 -0.997 3.384 16.797 1.00 0.00 C ATOM 1317 CG ASP A 85 -0.988 3.103 18.297 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -1.937 2.489 18.835 1.00 0.00 O ATOM 1319 OD2 ASP A 85 0.012 3.506 18.935 1.00 0.00 O ATOM 0 H ASP A 85 -1.008 2.352 14.345 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.790 2.184 16.685 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.073 2.997 16.368 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.989 4.464 16.648 1.00 0.00 H new ATOM 1325 N PRO A 86 -2.598 4.752 14.527 1.00 0.00 N ATOM 1326 CA PRO A 86 -3.346 5.932 14.140 1.00 0.00 C ATOM 1327 C PRO A 86 -4.654 5.568 13.420 1.00 0.00 C ATOM 1328 O PRO A 86 -4.738 4.513 12.783 1.00 0.00 O ATOM 1329 CB PRO A 86 -2.450 6.750 13.207 1.00 0.00 C ATOM 1330 CG PRO A 86 -1.052 6.178 13.416 1.00 0.00 C ATOM 1331 CD PRO A 86 -1.319 4.736 13.841 1.00 0.00 C ATOM 0 HA PRO A 86 -3.621 6.498 15.030 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.766 6.654 12.168 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -2.485 7.811 13.454 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.458 6.224 12.503 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.503 6.727 14.181 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.348 4.073 12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.529 4.370 14.497 1.00 0.00 H new ATOM 1339 N PRO A 87 -5.655 6.456 13.454 1.00 0.00 N ATOM 1340 CA PRO A 87 -6.818 6.366 12.594 1.00 0.00 C ATOM 1341 C PRO A 87 -6.407 6.797 11.179 1.00 0.00 C ATOM 1342 O PRO A 87 -5.686 7.783 11.013 1.00 0.00 O ATOM 1343 CB PRO A 87 -7.845 7.293 13.246 1.00 0.00 C ATOM 1344 CG PRO A 87 -7.005 8.363 13.941 1.00 0.00 C ATOM 1345 CD PRO A 87 -5.643 7.706 14.186 1.00 0.00 C ATOM 0 HA PRO A 87 -7.238 5.366 12.491 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -8.512 7.732 12.504 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -8.471 6.755 13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -6.907 9.253 13.319 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.465 8.678 14.878 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -4.834 8.350 13.842 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -5.481 7.532 15.250 1.00 0.00 H new ATOM 1353 N TRP A 88 -6.827 6.035 10.167 1.00 0.00 N ATOM 1354 CA TRP A 88 -6.479 6.253 8.765 1.00 0.00 C ATOM 1355 C TRP A 88 -7.174 7.513 8.232 1.00 0.00 C ATOM 1356 O TRP A 88 -6.608 8.599 8.366 1.00 0.00 O ATOM 1357 CB TRP A 88 -6.699 4.947 7.986 1.00 0.00 C ATOM 1358 CG TRP A 88 -6.993 5.011 6.518 1.00 0.00 C ATOM 1359 CD1 TRP A 88 -6.245 5.543 5.524 1.00 0.00 C ATOM 1360 CD2 TRP A 88 -8.210 4.554 5.874 1.00 0.00 C ATOM 1361 NE1 TRP A 88 -6.854 5.315 4.312 1.00 0.00 N ATOM 1362 CE2 TRP A 88 -8.108 4.784 4.476 1.00 0.00 C ATOM 1363 CE3 TRP A 88 -9.419 4.027 6.360 1.00 0.00 C ATOM 1364 CZ2 TRP A 88 -9.165 4.527 3.601 1.00 0.00 C ATOM 1365 CZ3 TRP A 88 -10.477 3.728 5.487 1.00 0.00 C ATOM 1366 CH2 TRP A 88 -10.351 3.989 4.111 1.00 0.00 C ATOM 0 H TRP A 88 -7.435 5.228 10.306 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.421 6.479 8.631 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -5.807 4.334 8.115 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.523 4.416 8.463 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -5.311 6.067 5.661 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -6.428 5.515 3.407 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -9.536 3.850 7.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.068 4.740 2.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -11.389 3.297 5.873 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.174 3.773 3.445 1.00 0.00 H new ATOM 1377 N THR A 89 -8.351 7.368 7.613 1.00 0.00 N ATOM 1378 CA THR A 89 -9.400 8.323 7.252 1.00 0.00 C ATOM 1379 C THR A 89 -10.212 7.666 6.116 1.00 0.00 C ATOM 1380 O THR A 89 -9.666 7.511 5.026 1.00 0.00 O ATOM 1381 CB THR A 89 -8.884 9.721 6.844 1.00 0.00 C ATOM 1382 OG1 THR A 89 -8.306 10.441 7.907 1.00 0.00 O ATOM 1383 CG2 THR A 89 -10.020 10.611 6.355 1.00 0.00 C ATOM 0 H THR A 89 -8.627 6.434 7.310 1.00 0.00 H new ATOM 0 HA THR A 89 -10.012 8.525 8.131 1.00 0.00 H new ATOM 0 HB THR A 89 -8.144 9.510 6.072 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.383 10.140 8.042 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.623 11.587 6.076 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.495 10.151 5.489 1.00 0.00 H new ATOM 0 HG23 THR A 89 -10.755 10.732 7.150 1.00 0.00 H new ATOM 1391 N PRO A 90 -11.499 7.309 6.265 1.00 0.00 N ATOM 1392 CA PRO A 90 -12.245 6.652 5.186 1.00 0.00 C ATOM 1393 C PRO A 90 -12.372 7.478 3.899 1.00 0.00 C ATOM 1394 O PRO A 90 -12.501 6.927 2.803 1.00 0.00 O ATOM 1395 CB PRO A 90 -13.583 6.250 5.800 1.00 0.00 C ATOM 1396 CG PRO A 90 -13.767 7.251 6.935 1.00 0.00 C ATOM 1397 CD PRO A 90 -12.338 7.455 7.443 1.00 0.00 C ATOM 0 HA PRO A 90 -11.700 5.780 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -14.393 6.313 5.074 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.564 5.224 6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.208 8.184 6.584 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.422 6.862 7.715 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.216 8.439 7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.081 6.720 8.205 1.00 0.00 H new ATOM 1405 N GLU A 91 -12.249 8.796 4.011 1.00 0.00 N ATOM 1406 CA GLU A 91 -12.318 9.739 2.907 1.00 0.00 C ATOM 1407 C GLU A 91 -11.106 9.627 1.955 1.00 0.00 C ATOM 1408 O GLU A 91 -11.104 10.250 0.893 1.00 0.00 O ATOM 1409 CB GLU A 91 -12.514 11.156 3.495 1.00 0.00 C ATOM 1410 CG GLU A 91 -11.250 12.027 3.429 1.00 0.00 C ATOM 1411 CD GLU A 91 -11.211 13.197 4.402 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -10.087 13.664 4.689 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -12.270 13.696 4.835 1.00 0.00 O ATOM 0 H GLU A 91 -12.092 9.252 4.910 1.00 0.00 H new ATOM 0 HA GLU A 91 -13.172 9.503 2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.319 11.656 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.832 11.069 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.383 11.393 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.150 12.416 2.416 1.00 0.00 H new ATOM 1421 N ARG A 92 -10.040 8.895 2.310 1.00 0.00 N ATOM 1422 CA ARG A 92 -8.833 8.794 1.472 1.00 0.00 C ATOM 1423 C ARG A 92 -9.140 8.084 0.144 1.00 0.00 C ATOM 1424 O ARG A 92 -8.440 8.285 -0.853 1.00 0.00 O ATOM 1425 CB ARG A 92 -7.736 8.036 2.227 1.00 0.00 C ATOM 1426 CG ARG A 92 -7.304 8.644 3.572 1.00 0.00 C ATOM 1427 CD ARG A 92 -5.859 9.152 3.624 1.00 0.00 C ATOM 1428 NE ARG A 92 -5.768 10.582 3.284 1.00 0.00 N ATOM 1429 CZ ARG A 92 -4.755 11.170 2.641 1.00 0.00 C ATOM 1430 NH1 ARG A 92 -3.651 10.499 2.324 1.00 0.00 N ATOM 1431 NH2 ARG A 92 -4.839 12.456 2.325 1.00 0.00 N ATOM 0 H ARG A 92 -9.988 8.361 3.177 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.488 9.803 1.247 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.081 7.018 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.859 7.967 1.583 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.972 9.472 3.810 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.437 7.893 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.453 8.989 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.246 8.574 2.932 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.548 11.177 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.564 9.513 2.572 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.891 10.970 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.673 12.989 2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.070 12.912 1.834 1.00 0.00 H new ATOM 1445 N MET A 93 -10.197 7.271 0.127 1.00 0.00 N ATOM 1446 CA MET A 93 -10.744 6.632 -1.061 1.00 0.00 C ATOM 1447 C MET A 93 -11.239 7.667 -2.087 1.00 0.00 C ATOM 1448 O MET A 93 -11.342 8.871 -1.813 1.00 0.00 O ATOM 1449 CB MET A 93 -11.905 5.696 -0.671 1.00 0.00 C ATOM 1450 CG MET A 93 -11.485 4.566 0.272 1.00 0.00 C ATOM 1451 SD MET A 93 -12.669 3.193 0.361 1.00 0.00 S ATOM 1452 CE MET A 93 -14.008 3.954 1.315 1.00 0.00 C ATOM 0 H MET A 93 -10.712 7.033 0.975 1.00 0.00 H new ATOM 0 HA MET A 93 -9.943 6.054 -1.522 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.691 6.283 -0.195 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.333 5.264 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 93 -10.519 4.178 -0.052 1.00 0.00 H new ATOM 0 HG3 MET A 93 -11.345 4.976 1.272 1.00 0.00 H new ATOM 0 HE1 MET A 93 -14.812 3.232 1.453 1.00 0.00 H new ATOM 0 HE2 MET A 93 -13.629 4.266 2.288 1.00 0.00 H new ATOM 0 HE3 MET A 93 -14.389 4.823 0.778 1.00 0.00 H new ATOM 1462 N SER A 94 -11.579 7.184 -3.283 1.00 0.00 N ATOM 1463 CA SER A 94 -12.099 7.989 -4.381 1.00 0.00 C ATOM 1464 C SER A 94 -13.370 8.729 -3.956 1.00 0.00 C ATOM 1465 O SER A 94 -14.123 8.202 -3.137 1.00 0.00 O ATOM 1466 CB SER A 94 -12.453 7.079 -5.560 1.00 0.00 C ATOM 1467 OG SER A 94 -11.380 6.224 -5.894 1.00 0.00 O ATOM 0 H SER A 94 -11.497 6.195 -3.517 1.00 0.00 H new ATOM 0 HA SER A 94 -11.333 8.710 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 94 -13.331 6.483 -5.310 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.717 7.688 -6.425 1.00 0.00 H new ATOM 0 HG SER A 94 -11.638 5.655 -6.649 1.00 0.00 H new ATOM 1473 N PRO A 95 -13.691 9.876 -4.573 1.00 0.00 N ATOM 1474 CA PRO A 95 -14.918 10.602 -4.273 1.00 0.00 C ATOM 1475 C PRO A 95 -16.168 9.771 -4.600 1.00 0.00 C ATOM 1476 O PRO A 95 -17.148 9.823 -3.857 1.00 0.00 O ATOM 1477 CB PRO A 95 -14.814 11.898 -5.082 1.00 0.00 C ATOM 1478 CG PRO A 95 -13.877 11.548 -6.238 1.00 0.00 C ATOM 1479 CD PRO A 95 -12.912 10.559 -5.598 1.00 0.00 C ATOM 0 HA PRO A 95 -15.026 10.818 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.790 12.220 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.414 12.713 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.415 11.104 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.360 12.428 -6.621 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.525 9.854 -6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.053 11.071 -5.164 1.00 0.00 H new ATOM 1487 N GLU A 96 -16.112 8.949 -5.653 1.00 0.00 N ATOM 1488 CA GLU A 96 -17.197 8.059 -6.041 1.00 0.00 C ATOM 1489 C GLU A 96 -17.345 6.953 -4.986 1.00 0.00 C ATOM 1490 O GLU A 96 -18.455 6.591 -4.608 1.00 0.00 O ATOM 1491 CB GLU A 96 -16.887 7.521 -7.453 1.00 0.00 C ATOM 1492 CG GLU A 96 -18.118 7.117 -8.277 1.00 0.00 C ATOM 1493 CD GLU A 96 -18.629 5.714 -7.972 1.00 0.00 C ATOM 1494 OE1 GLU A 96 -17.971 4.730 -8.389 1.00 0.00 O ATOM 1495 OE2 GLU A 96 -19.672 5.573 -7.300 1.00 0.00 O ATOM 0 H GLU A 96 -15.298 8.887 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.156 8.576 -6.084 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -16.334 8.283 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -16.231 6.656 -7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.918 7.833 -8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -17.871 7.181 -9.337 1.00 0.00 H new ATOM 1503 N LEU A 97 -16.227 6.442 -4.446 1.00 0.00 N ATOM 1504 CA LEU A 97 -16.278 5.451 -3.379 1.00 0.00 C ATOM 1505 C LEU A 97 -16.819 6.006 -2.080 1.00 0.00 C ATOM 1506 O LEU A 97 -17.431 5.251 -1.334 1.00 0.00 O ATOM 1507 CB LEU A 97 -14.919 4.821 -3.057 1.00 0.00 C ATOM 1508 CG LEU A 97 -14.642 3.564 -3.877 1.00 0.00 C ATOM 1509 CD1 LEU A 97 -13.199 3.144 -3.624 1.00 0.00 C ATOM 1510 CD2 LEU A 97 -15.548 2.402 -3.492 1.00 0.00 C ATOM 0 H LEU A 97 -15.284 6.703 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 97 -16.951 4.693 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -14.132 5.552 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.880 4.573 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 97 -14.829 3.800 -4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -12.975 2.246 -4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -12.528 3.947 -3.928 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.061 2.938 -2.563 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -15.308 1.534 -4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -15.397 2.156 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -16.589 2.683 -3.653 1.00 0.00 H new ATOM 1522 N ARG A 98 -16.573 7.282 -1.785 1.00 0.00 N ATOM 1523 CA ARG A 98 -17.099 7.897 -0.579 1.00 0.00 C ATOM 1524 C ARG A 98 -18.614 7.832 -0.621 1.00 0.00 C ATOM 1525 O ARG A 98 -19.219 7.235 0.269 1.00 0.00 O ATOM 1526 CB ARG A 98 -16.595 9.335 -0.440 1.00 0.00 C ATOM 1527 CG ARG A 98 -15.116 9.390 -0.042 1.00 0.00 C ATOM 1528 CD ARG A 98 -14.619 10.838 -0.040 1.00 0.00 C ATOM 1529 NE ARG A 98 -13.312 10.930 -0.705 1.00 0.00 N ATOM 1530 CZ ARG A 98 -12.874 11.937 -1.459 1.00 0.00 C ATOM 1531 NH1 ARG A 98 -13.541 13.088 -1.477 1.00 0.00 N ATOM 1532 NH2 ARG A 98 -11.788 11.751 -2.199 1.00 0.00 N ATOM 0 H ARG A 98 -16.013 7.905 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 98 -16.748 7.355 0.299 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -16.736 9.861 -1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -17.191 9.857 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.982 8.951 0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -14.523 8.796 -0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -15.340 11.478 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.540 11.201 0.985 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.676 10.143 -0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.385 13.197 -0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.208 13.861 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.307 10.851 -2.182 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.434 12.508 -2.784 1.00 0.00 H new ATOM 1546 N GLU A 99 -19.208 8.365 -1.689 1.00 0.00 N ATOM 1547 CA GLU A 99 -20.649 8.325 -1.890 1.00 0.00 C ATOM 1548 C GLU A 99 -21.156 6.882 -1.909 1.00 0.00 C ATOM 1549 O GLU A 99 -22.188 6.604 -1.299 1.00 0.00 O ATOM 1550 CB GLU A 99 -21.021 9.072 -3.179 1.00 0.00 C ATOM 1551 CG GLU A 99 -20.896 10.586 -2.974 1.00 0.00 C ATOM 1552 CD GLU A 99 -21.103 11.365 -4.272 1.00 0.00 C ATOM 1553 OE1 GLU A 99 -22.221 11.345 -4.827 1.00 0.00 O ATOM 1554 OE2 GLU A 99 -20.152 12.047 -4.722 1.00 0.00 O ATOM 0 H GLU A 99 -18.700 8.836 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 99 -21.136 8.828 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -20.369 8.754 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.041 8.821 -3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -21.629 10.912 -2.236 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -19.911 10.816 -2.568 1.00 0.00 H new ATOM 1562 N LYS A 100 -20.435 5.963 -2.564 1.00 0.00 N ATOM 1563 CA LYS A 100 -20.792 4.550 -2.590 1.00 0.00 C ATOM 1564 C LYS A 100 -20.870 3.984 -1.176 1.00 0.00 C ATOM 1565 O LYS A 100 -21.929 3.496 -0.783 1.00 0.00 O ATOM 1566 CB LYS A 100 -19.815 3.749 -3.466 1.00 0.00 C ATOM 1567 CG LYS A 100 -20.202 2.265 -3.471 1.00 0.00 C ATOM 1568 CD LYS A 100 -19.447 1.425 -4.508 1.00 0.00 C ATOM 1569 CE LYS A 100 -19.579 -0.029 -4.050 1.00 0.00 C ATOM 1570 NZ LYS A 100 -19.673 -1.001 -5.153 1.00 0.00 N ATOM 0 H LYS A 100 -19.589 6.184 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 100 -21.782 4.458 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -19.825 4.138 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -18.799 3.866 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -20.019 1.850 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -21.272 2.180 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.871 1.561 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.400 1.723 -4.564 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.720 -0.282 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.465 -0.122 -3.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.760 -1.961 -4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.508 -0.787 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.817 -0.942 -5.741 1.00 0.00 H new ATOM 1584 N PHE A 101 -19.742 3.927 -0.464 1.00 0.00 N ATOM 1585 CA PHE A 101 -19.652 3.256 0.824 1.00 0.00 C ATOM 1586 C PHE A 101 -20.541 3.946 1.857 1.00 0.00 C ATOM 1587 O PHE A 101 -21.304 3.254 2.534 1.00 0.00 O ATOM 1588 CB PHE A 101 -18.189 3.150 1.284 1.00 0.00 C ATOM 1589 CG PHE A 101 -17.494 1.889 0.804 1.00 0.00 C ATOM 1590 CD1 PHE A 101 -17.285 1.657 -0.570 1.00 0.00 C ATOM 1591 CD2 PHE A 101 -17.134 0.894 1.736 1.00 0.00 C ATOM 1592 CE1 PHE A 101 -16.788 0.411 -1.006 1.00 0.00 C ATOM 1593 CE2 PHE A 101 -16.609 -0.334 1.301 1.00 0.00 C ATOM 1594 CZ PHE A 101 -16.445 -0.580 -0.072 1.00 0.00 C ATOM 0 H PHE A 101 -18.865 4.348 -0.770 1.00 0.00 H new ATOM 0 HA PHE A 101 -20.024 2.237 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -17.639 4.019 0.923 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -18.155 3.182 2.373 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -17.505 2.433 -1.289 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -17.263 1.078 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -16.671 0.218 -2.062 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -16.332 -1.089 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 101 -16.056 -1.529 -0.409 1.00 0.00 H new ATOM 1604 N GLY A 102 -20.489 5.278 1.937 1.00 0.00 N ATOM 1605 CA GLY A 102 -21.320 6.086 2.820 1.00 0.00 C ATOM 1606 C GLY A 102 -20.501 7.042 3.681 1.00 0.00 C ATOM 1607 O GLY A 102 -20.774 7.177 4.875 1.00 0.00 O ATOM 0 H GLY A 102 -19.848 5.835 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -22.030 6.658 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -21.903 5.430 3.466 1.00 0.00 H new ATOM 1611 N VAL A 103 -19.479 7.672 3.107 1.00 0.00 N ATOM 1612 CA VAL A 103 -18.567 8.607 3.757 1.00 0.00 C ATOM 1613 C VAL A 103 -18.327 9.763 2.784 1.00 0.00 C ATOM 1614 O VAL A 103 -17.225 10.352 2.802 1.00 0.00 O ATOM 1615 CB VAL A 103 -17.276 7.880 4.208 1.00 0.00 C ATOM 1616 CG1 VAL A 103 -17.538 6.921 5.381 1.00 0.00 C ATOM 1617 CG2 VAL A 103 -16.593 7.124 3.053 1.00 0.00 C ATOM 0 H VAL A 103 -19.253 7.536 2.122 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.991 9.018 4.673 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.596 8.662 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.607 6.432 5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -17.928 7.483 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -18.266 6.168 5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.693 6.632 3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -17.277 6.376 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -16.324 7.828 2.266 1.00 0.00 H new TER 1627 VAL A 103