USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 729 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 82 GLN : amide:sc= 0.649 K(o=1.4,f=-0.085) USER MOD Set 1.2: A 84 TYR OH : rot -13:sc= 0.728 USER MOD Set 2.1: A 74 THR OG1 : rot -63:sc= 0.627 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.563 USER MOD Set 3.1: A 2 CYS SG : rot -31:sc= 0.137! USER MOD Set 3.2: A 5 CYS SG : rot 37:sc= 0.521 USER MOD Set 3.3: A 30 CYS SG : rot 152:sc= 0.187 USER MOD Set 3.4: A 33 CYS SG : rot -51:sc= 2.55 USER MOD Set 3.5: A 61 CYS SG : rot -154:sc= 0.636 USER MOD Set 3.6: A 63 ASN : amide:sc= 0.122 K(o=4.2,f=2.5) USER MOD Set 3.7: A 64 CYS SG : rot -109:sc= 0.796 USER MOD Set 3.8: A 66 HIS : no HE2:sc= -0.798 K(o=4.2,f=-0.61) USER MOD Set 4.1: A 22 SER OG : rot -58:sc= 0.98 USER MOD Set 4.2: A 57 TYR OH : rot -171:sc= 0.0147 USER MOD Set 4.3: A 59 HIS : no HD1:sc= 0.727 K(o=3.5,f=-1.7) USER MOD Set 4.4: A 71 HIS : no HD1:sc= 0.371 K(o=3.5,f=-0.4!) USER MOD Set 4.5: A 88 CYS SG : rot 44:sc= 1.73 USER MOD Set 4.6: A 91 CYS SG : rot 180:sc= -0.302 USER MOD Set 5.1: A 20 ASN : amide:sc= 0.853 K(o=3.1,f=-5.4!) USER MOD Set 5.2: A 44 LYS NZ :NH3+ 165:sc= 2.22 (180deg=1.15) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.656 K(o=0.66,f=-1.1) USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.328 USER MOD Single : A 17 CYS SG : rot 60:sc= 0.46 USER MOD Single : A 26 ASN : amide:sc= 2.16 K(o=2.2,f=-8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -46:sc= 0.133 USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 0.0591 (180deg=0) USER MOD Single : A 39 MET CE :methyl -149:sc= -0.0178 (180deg=-2.13) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.917 K(o=0.92,f=-0.22) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= 0.202 (180deg=-0.125) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc=-0.00193 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.0815) USER MOD Single : A 86 MET CE :methyl -164:sc= -0.01 (180deg=-0.303) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.203 14.822 -8.603 1.00 0.00 N ATOM 2 CA CYS A 2 -0.764 15.297 -9.904 1.00 0.00 C ATOM 3 C CYS A 2 0.651 14.794 -10.282 1.00 0.00 C ATOM 4 O CYS A 2 1.242 15.236 -11.273 1.00 0.00 O ATOM 5 CB CYS A 2 -0.984 16.839 -9.992 1.00 0.00 C ATOM 6 SG CYS A 2 -0.882 17.815 -8.424 1.00 0.00 S ATOM 0 HA CYS A 2 -1.382 14.855 -10.685 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.248 17.243 -10.687 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.966 17.013 -10.432 1.00 0.00 H new ATOM 0 HG CYS A 2 -1.283 17.081 -7.429 1.00 0.00 H new ATOM 11 N GLY A 3 1.203 13.869 -9.487 1.00 0.00 N ATOM 12 CA GLY A 3 2.548 13.285 -9.609 1.00 0.00 C ATOM 13 C GLY A 3 3.633 14.266 -9.156 1.00 0.00 C ATOM 14 O GLY A 3 4.599 13.863 -8.513 1.00 0.00 O ATOM 0 H GLY A 3 0.693 13.484 -8.692 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.606 12.376 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.727 12.997 -10.645 1.00 0.00 H new ATOM 18 N ASP A 4 3.436 15.566 -9.387 1.00 0.00 N ATOM 19 CA ASP A 4 4.285 16.617 -8.820 1.00 0.00 C ATOM 20 C ASP A 4 4.130 16.645 -7.281 1.00 0.00 C ATOM 21 O ASP A 4 5.016 17.155 -6.589 1.00 0.00 O ATOM 22 CB ASP A 4 3.940 17.975 -9.443 1.00 0.00 C ATOM 23 CG ASP A 4 4.550 18.136 -10.846 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.798 18.216 -10.956 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.794 18.211 -11.845 1.00 0.00 O ATOM 0 H ASP A 4 2.681 15.921 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 4 5.328 16.402 -9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.857 18.081 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.303 18.774 -8.796 1.00 0.00 H new ATOM 30 N CYS A 5 3.043 16.056 -6.751 1.00 0.00 N ATOM 31 CA CYS A 5 2.762 15.895 -5.329 1.00 0.00 C ATOM 32 C CYS A 5 3.810 15.015 -4.599 1.00 0.00 C ATOM 33 O CYS A 5 3.962 15.126 -3.381 1.00 0.00 O ATOM 34 CB CYS A 5 1.380 15.222 -5.121 1.00 0.00 C ATOM 35 SG CYS A 5 -0.081 16.126 -5.740 1.00 0.00 S ATOM 0 H CYS A 5 2.307 15.664 -7.338 1.00 0.00 H new ATOM 0 HA CYS A 5 2.787 16.901 -4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.403 14.244 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.244 15.049 -4.053 1.00 0.00 H new ATOM 0 HG CYS A 5 0.220 16.726 -6.853 1.00 0.00 H new ATOM 40 N VAL A 6 4.506 14.108 -5.306 1.00 0.00 N ATOM 41 CA VAL A 6 5.443 13.131 -4.711 1.00 0.00 C ATOM 42 C VAL A 6 6.906 13.415 -5.107 1.00 0.00 C ATOM 43 O VAL A 6 7.200 13.742 -6.258 1.00 0.00 O ATOM 44 CB VAL A 6 5.034 11.676 -5.047 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.577 11.393 -4.650 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.184 11.243 -6.510 1.00 0.00 C ATOM 0 H VAL A 6 4.435 14.029 -6.320 1.00 0.00 H new ATOM 0 HA VAL A 6 5.380 13.248 -3.629 1.00 0.00 H new ATOM 0 HB VAL A 6 5.750 11.098 -4.462 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.325 10.363 -4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.456 11.546 -3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.915 12.070 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.866 10.206 -6.617 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.565 11.879 -7.143 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.227 11.336 -6.812 1.00 0.00 H new ATOM 56 N GLU A 7 7.848 13.286 -4.165 1.00 0.00 N ATOM 57 CA GLU A 7 9.294 13.471 -4.394 1.00 0.00 C ATOM 58 C GLU A 7 9.842 12.404 -5.363 1.00 0.00 C ATOM 59 O GLU A 7 10.642 12.717 -6.249 1.00 0.00 O ATOM 60 CB GLU A 7 10.042 13.481 -3.042 1.00 0.00 C ATOM 61 CG GLU A 7 11.564 13.560 -3.174 1.00 0.00 C ATOM 62 CD GLU A 7 12.232 13.868 -1.820 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.345 15.063 -1.453 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.675 12.921 -1.125 1.00 0.00 O ATOM 0 H GLU A 7 7.626 13.045 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 7 9.461 14.436 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.694 14.329 -2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.782 12.579 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.946 12.616 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.828 14.333 -3.896 1.00 0.00 H new ATOM 71 N LYS A 8 9.366 11.157 -5.230 1.00 0.00 N ATOM 72 CA LYS A 8 9.672 10.007 -6.090 1.00 0.00 C ATOM 73 C LYS A 8 8.384 9.245 -6.402 1.00 0.00 C ATOM 74 O LYS A 8 7.518 9.102 -5.538 1.00 0.00 O ATOM 75 CB LYS A 8 10.670 9.067 -5.390 1.00 0.00 C ATOM 76 CG LYS A 8 12.069 9.685 -5.256 1.00 0.00 C ATOM 77 CD LYS A 8 13.052 8.698 -4.613 1.00 0.00 C ATOM 78 CE LYS A 8 14.435 9.350 -4.493 1.00 0.00 C ATOM 79 NZ LYS A 8 15.418 8.434 -3.858 1.00 0.00 N ATOM 0 H LYS A 8 8.722 10.912 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 8 10.118 10.368 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.292 8.815 -4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.741 8.135 -5.951 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.436 9.979 -6.240 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.013 10.591 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 8 12.692 8.402 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.118 7.791 -5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.790 9.636 -5.483 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.357 10.265 -3.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.342 8.907 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.091 8.181 -2.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.510 7.572 -4.432 1.00 0.00 H new ATOM 93 N GLU A 9 8.272 8.727 -7.622 1.00 0.00 N ATOM 94 CA GLU A 9 7.149 7.888 -8.055 1.00 0.00 C ATOM 95 C GLU A 9 7.379 6.444 -7.577 1.00 0.00 C ATOM 96 O GLU A 9 8.410 5.848 -7.896 1.00 0.00 O ATOM 97 CB GLU A 9 7.048 7.913 -9.594 1.00 0.00 C ATOM 98 CG GLU A 9 6.347 9.166 -10.134 1.00 0.00 C ATOM 99 CD GLU A 9 6.918 9.582 -11.503 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.417 9.101 -12.550 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.874 10.394 -11.546 1.00 0.00 O ATOM 0 H GLU A 9 8.968 8.878 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 9 6.222 8.271 -7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.050 7.854 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.507 7.029 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.278 8.976 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.465 9.985 -9.425 1.00 0.00 H new ATOM 108 N TYR A 10 6.425 5.879 -6.825 1.00 0.00 N ATOM 109 CA TYR A 10 6.482 4.509 -6.278 1.00 0.00 C ATOM 110 C TYR A 10 7.832 4.174 -5.601 1.00 0.00 C ATOM 111 O TYR A 10 8.528 3.241 -6.018 1.00 0.00 O ATOM 112 CB TYR A 10 6.058 3.471 -7.336 1.00 0.00 C ATOM 113 CG TYR A 10 4.697 3.686 -7.984 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.514 4.717 -8.931 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.610 2.854 -7.643 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.251 4.943 -9.506 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.339 3.091 -8.205 1.00 0.00 C ATOM 118 CZ TYR A 10 2.155 4.132 -9.141 1.00 0.00 C ATOM 119 OH TYR A 10 0.923 4.349 -9.677 1.00 0.00 O ATOM 0 H TYR A 10 5.569 6.372 -6.571 1.00 0.00 H new ATOM 0 HA TYR A 10 5.752 4.459 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.813 3.456 -8.122 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.063 2.486 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.351 5.337 -9.216 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.751 2.036 -6.952 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.120 5.737 -10.227 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.501 2.473 -7.918 1.00 0.00 H new ATOM 0 HH TYR A 10 0.289 3.696 -9.314 1.00 0.00 H new ATOM 129 N PRO A 11 8.223 4.925 -4.551 1.00 0.00 N ATOM 130 CA PRO A 11 9.480 4.714 -3.829 1.00 0.00 C ATOM 131 C PRO A 11 9.523 3.334 -3.162 1.00 0.00 C ATOM 132 O PRO A 11 8.500 2.844 -2.693 1.00 0.00 O ATOM 133 CB PRO A 11 9.523 5.838 -2.787 1.00 0.00 C ATOM 134 CG PRO A 11 8.056 6.155 -2.534 1.00 0.00 C ATOM 135 CD PRO A 11 7.472 6.016 -3.935 1.00 0.00 C ATOM 0 HA PRO A 11 10.341 4.739 -4.497 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.026 5.518 -1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.062 6.709 -3.160 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.601 5.459 -1.829 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.916 7.157 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.406 5.790 -3.898 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.582 6.940 -4.502 1.00 0.00 H new ATOM 143 N ASN A 12 10.686 2.689 -3.063 1.00 0.00 N ATOM 144 CA ASN A 12 10.772 1.418 -2.341 1.00 0.00 C ATOM 145 C ASN A 12 10.811 1.690 -0.826 1.00 0.00 C ATOM 146 O ASN A 12 11.390 2.686 -0.381 1.00 0.00 O ATOM 147 CB ASN A 12 12.003 0.625 -2.810 1.00 0.00 C ATOM 148 CG ASN A 12 11.971 0.256 -4.285 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.878 0.571 -5.044 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.937 -0.408 -4.752 1.00 0.00 N ATOM 0 H ASN A 12 11.565 3.016 -3.464 1.00 0.00 H new ATOM 0 HA ASN A 12 9.892 0.811 -2.554 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.899 1.213 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.083 -0.287 -2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.895 -0.657 -5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.177 -0.674 -4.126 1.00 0.00 H new ATOM 157 N ARG A 13 10.194 0.805 -0.029 1.00 0.00 N ATOM 158 CA ARG A 13 10.073 0.958 1.440 1.00 0.00 C ATOM 159 C ARG A 13 10.777 -0.146 2.232 1.00 0.00 C ATOM 160 O ARG A 13 10.336 -0.531 3.316 1.00 0.00 O ATOM 161 CB ARG A 13 8.586 1.089 1.809 1.00 0.00 C ATOM 162 CG ARG A 13 7.843 2.223 1.091 1.00 0.00 C ATOM 163 CD ARG A 13 8.392 3.623 1.407 1.00 0.00 C ATOM 164 NE ARG A 13 8.264 3.954 2.844 1.00 0.00 N ATOM 165 CZ ARG A 13 7.151 4.235 3.500 1.00 0.00 C ATOM 166 NH1 ARG A 13 5.994 4.332 2.910 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.179 4.409 4.791 1.00 0.00 N ATOM 0 H ARG A 13 9.759 -0.047 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 13 10.597 1.869 1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.086 0.147 1.585 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.505 1.245 2.885 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.897 2.056 0.015 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.789 2.186 1.367 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.441 3.677 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.857 4.365 0.814 1.00 0.00 H new ATOM 0 HE ARG A 13 9.128 3.967 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.922 4.189 1.903 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.160 4.551 3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.061 4.329 5.297 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.319 4.626 5.295 1.00 0.00 H new ATOM 181 N GLY A 14 11.844 -0.697 1.653 1.00 0.00 N ATOM 182 CA GLY A 14 12.664 -1.781 2.210 1.00 0.00 C ATOM 183 C GLY A 14 11.933 -3.087 2.546 1.00 0.00 C ATOM 184 O GLY A 14 12.526 -3.926 3.225 1.00 0.00 O ATOM 0 H GLY A 14 12.178 -0.388 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.459 -2.008 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.143 -1.415 3.118 1.00 0.00 H new ATOM 188 N ASN A 15 10.693 -3.220 2.045 1.00 0.00 N ATOM 189 CA ASN A 15 9.700 -4.318 2.109 1.00 0.00 C ATOM 190 C ASN A 15 8.345 -3.964 2.781 1.00 0.00 C ATOM 191 O ASN A 15 7.457 -4.816 2.845 1.00 0.00 O ATOM 192 CB ASN A 15 10.269 -5.622 2.709 1.00 0.00 C ATOM 193 CG ASN A 15 10.322 -5.667 4.239 1.00 0.00 C ATOM 194 OD1 ASN A 15 10.204 -4.675 4.949 1.00 0.00 O ATOM 195 ND2 ASN A 15 10.459 -6.835 4.820 1.00 0.00 N ATOM 0 H ASN A 15 10.304 -2.447 1.505 1.00 0.00 H new ATOM 0 HA ASN A 15 9.475 -4.486 1.056 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.665 -6.459 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.277 -5.772 2.322 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.465 -6.901 5.838 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.559 -7.678 4.254 1.00 0.00 H new ATOM 202 N THR A 16 8.169 -2.747 3.304 1.00 0.00 N ATOM 203 CA THR A 16 6.954 -2.328 4.041 1.00 0.00 C ATOM 204 C THR A 16 5.694 -2.319 3.159 1.00 0.00 C ATOM 205 O THR A 16 5.641 -1.543 2.208 1.00 0.00 O ATOM 206 CB THR A 16 7.176 -0.929 4.652 1.00 0.00 C ATOM 207 OG1 THR A 16 8.300 -0.931 5.510 1.00 0.00 O ATOM 208 CG2 THR A 16 5.998 -0.411 5.473 1.00 0.00 C ATOM 0 H THR A 16 8.870 -2.010 3.231 1.00 0.00 H new ATOM 0 HA THR A 16 6.785 -3.063 4.828 1.00 0.00 H new ATOM 0 HB THR A 16 7.315 -0.275 3.791 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.116 -0.810 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.235 0.577 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.113 -0.346 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.803 -1.094 6.300 1.00 0.00 H new ATOM 216 N CYS A 17 4.674 -3.139 3.464 1.00 0.00 N ATOM 217 CA CYS A 17 3.416 -3.231 2.712 1.00 0.00 C ATOM 218 C CYS A 17 2.216 -2.968 3.646 1.00 0.00 C ATOM 219 O CYS A 17 1.915 -3.789 4.514 1.00 0.00 O ATOM 220 CB CYS A 17 3.321 -4.617 2.051 1.00 0.00 C ATOM 221 SG CYS A 17 4.730 -4.933 0.950 1.00 0.00 S ATOM 0 H CYS A 17 4.705 -3.773 4.263 1.00 0.00 H new ATOM 0 HA CYS A 17 3.396 -2.472 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.282 -5.386 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.393 -4.687 1.484 1.00 0.00 H new ATOM 0 HG CYS A 17 5.835 -4.877 1.632 1.00 0.00 H new ATOM 227 N LEU A 18 1.557 -1.811 3.488 1.00 0.00 N ATOM 228 CA LEU A 18 0.454 -1.317 4.335 1.00 0.00 C ATOM 229 C LEU A 18 -0.852 -1.082 3.563 1.00 0.00 C ATOM 230 O LEU A 18 -0.846 -0.644 2.414 1.00 0.00 O ATOM 231 CB LEU A 18 0.897 0.012 4.994 1.00 0.00 C ATOM 232 CG LEU A 18 1.600 -0.085 6.361 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.694 -1.143 6.420 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.218 1.268 6.717 1.00 0.00 C ATOM 0 H LEU A 18 1.786 -1.163 2.734 1.00 0.00 H new ATOM 0 HA LEU A 18 0.246 -2.088 5.077 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.567 0.525 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.016 0.643 5.110 1.00 0.00 H new ATOM 0 HG LEU A 18 0.829 -0.378 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.141 -1.149 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.265 -2.122 6.209 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.461 -0.915 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.715 1.198 7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.945 1.548 5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.435 2.024 6.766 1.00 0.00 H new ATOM 246 N GLU A 19 -1.976 -1.322 4.248 1.00 0.00 N ATOM 247 CA GLU A 19 -3.335 -1.084 3.739 1.00 0.00 C ATOM 248 C GLU A 19 -3.932 0.272 4.184 1.00 0.00 C ATOM 249 O GLU A 19 -5.080 0.575 3.852 1.00 0.00 O ATOM 250 CB GLU A 19 -4.261 -2.242 4.156 1.00 0.00 C ATOM 251 CG GLU A 19 -4.708 -2.244 5.623 1.00 0.00 C ATOM 252 CD GLU A 19 -6.050 -2.975 5.804 1.00 0.00 C ATOM 253 OE1 GLU A 19 -7.106 -2.315 5.632 1.00 0.00 O ATOM 254 OE2 GLU A 19 -6.055 -4.184 6.137 1.00 0.00 O ATOM 0 H GLU A 19 -1.967 -1.697 5.197 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.259 -1.039 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.150 -2.217 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.750 -3.183 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.945 -2.725 6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.801 -1.217 5.977 1.00 0.00 H new ATOM 261 N ASN A 20 -3.180 1.061 4.962 1.00 0.00 N ATOM 262 CA ASN A 20 -3.587 2.367 5.507 1.00 0.00 C ATOM 263 C ASN A 20 -2.392 3.337 5.624 1.00 0.00 C ATOM 264 O ASN A 20 -1.243 2.905 5.762 1.00 0.00 O ATOM 265 CB ASN A 20 -4.187 2.176 6.919 1.00 0.00 C ATOM 266 CG ASN A 20 -5.561 1.529 6.964 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.486 1.897 6.253 1.00 0.00 O ATOM 268 ND2 ASN A 20 -5.758 0.567 7.837 1.00 0.00 N ATOM 0 H ASN A 20 -2.235 0.799 5.241 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.321 2.790 4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.499 1.569 7.508 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.247 3.150 7.404 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.677 0.132 7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.992 0.255 8.433 1.00 0.00 H new ATOM 275 N GLY A 21 -2.673 4.646 5.634 1.00 0.00 N ATOM 276 CA GLY A 21 -1.686 5.722 5.814 1.00 0.00 C ATOM 277 C GLY A 21 -1.480 6.616 4.582 1.00 0.00 C ATOM 278 O GLY A 21 -2.124 6.430 3.549 1.00 0.00 O ATOM 0 H GLY A 21 -3.623 4.998 5.513 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.998 6.346 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.729 5.277 6.087 1.00 0.00 H new ATOM 282 N SER A 22 -0.566 7.584 4.719 1.00 0.00 N ATOM 283 CA SER A 22 -0.121 8.549 3.695 1.00 0.00 C ATOM 284 C SER A 22 1.339 8.925 3.982 1.00 0.00 C ATOM 285 O SER A 22 1.650 9.416 5.071 1.00 0.00 O ATOM 286 CB SER A 22 -0.973 9.826 3.705 1.00 0.00 C ATOM 287 OG SER A 22 -2.290 9.583 3.236 1.00 0.00 O ATOM 0 H SER A 22 -0.083 7.727 5.606 1.00 0.00 H new ATOM 0 HA SER A 22 -0.226 8.082 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.016 10.227 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.499 10.584 3.082 1.00 0.00 H new ATOM 0 HG SER A 22 -2.251 9.213 2.329 1.00 0.00 H new ATOM 293 N PHE A 23 2.255 8.655 3.050 1.00 0.00 N ATOM 294 CA PHE A 23 3.702 8.853 3.226 1.00 0.00 C ATOM 295 C PHE A 23 4.186 10.310 3.135 1.00 0.00 C ATOM 296 O PHE A 23 4.753 10.752 2.135 1.00 0.00 O ATOM 297 CB PHE A 23 4.441 7.903 2.276 1.00 0.00 C ATOM 298 CG PHE A 23 5.940 7.722 2.473 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.550 7.857 3.739 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.727 7.334 1.373 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.930 7.629 3.884 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.111 7.132 1.514 1.00 0.00 C ATOM 303 CZ PHE A 23 8.718 7.304 2.768 1.00 0.00 C ATOM 0 H PHE A 23 2.010 8.285 2.132 1.00 0.00 H new ATOM 0 HA PHE A 23 3.944 8.603 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.973 6.922 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.278 8.255 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.956 8.136 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.262 7.190 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.387 7.704 4.860 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.706 6.845 0.659 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.786 7.187 2.874 1.00 0.00 H new ATOM 313 N LEU A 24 3.963 11.075 4.206 1.00 0.00 N ATOM 314 CA LEU A 24 4.306 12.498 4.319 1.00 0.00 C ATOM 315 C LEU A 24 5.764 12.857 3.956 1.00 0.00 C ATOM 316 O LEU A 24 6.028 13.954 3.463 1.00 0.00 O ATOM 317 CB LEU A 24 3.961 13.007 5.733 1.00 0.00 C ATOM 318 CG LEU A 24 2.526 12.730 6.230 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.293 13.437 7.565 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.449 13.194 5.250 1.00 0.00 C ATOM 0 H LEU A 24 3.523 10.709 5.050 1.00 0.00 H new ATOM 0 HA LEU A 24 3.701 13.004 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.660 12.557 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.130 14.083 5.760 1.00 0.00 H new ATOM 0 HG LEU A 24 2.443 11.648 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.279 13.238 7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.006 13.067 8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.428 14.511 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.464 12.970 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.540 14.268 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.574 12.675 4.300 1.00 0.00 H new ATOM 332 N LEU A 25 6.707 11.930 4.164 1.00 0.00 N ATOM 333 CA LEU A 25 8.127 12.087 3.812 1.00 0.00 C ATOM 334 C LEU A 25 8.387 12.068 2.290 1.00 0.00 C ATOM 335 O LEU A 25 9.407 12.600 1.849 1.00 0.00 O ATOM 336 CB LEU A 25 8.947 11.000 4.530 1.00 0.00 C ATOM 337 CG LEU A 25 9.183 11.274 6.028 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.811 10.045 6.685 1.00 0.00 C ATOM 339 CD2 LEU A 25 10.118 12.463 6.267 1.00 0.00 C ATOM 0 H LEU A 25 6.501 11.027 4.592 1.00 0.00 H new ATOM 0 HA LEU A 25 8.443 13.075 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.434 10.044 4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.912 10.901 4.034 1.00 0.00 H new ATOM 0 HG LEU A 25 8.210 11.504 6.461 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.976 10.243 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.142 9.192 6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.764 9.823 6.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.250 12.612 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.086 12.263 5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.685 13.361 5.826 1.00 0.00 H new ATOM 351 N ASN A 26 7.463 11.526 1.485 1.00 0.00 N ATOM 352 CA ASN A 26 7.533 11.549 0.018 1.00 0.00 C ATOM 353 C ASN A 26 6.606 12.643 -0.530 1.00 0.00 C ATOM 354 O ASN A 26 6.934 13.280 -1.525 1.00 0.00 O ATOM 355 CB ASN A 26 7.161 10.169 -0.544 1.00 0.00 C ATOM 356 CG ASN A 26 7.393 10.070 -2.049 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.281 10.680 -2.613 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.631 9.293 -2.770 1.00 0.00 N ATOM 0 H ASN A 26 6.633 11.052 1.841 1.00 0.00 H new ATOM 0 HA ASN A 26 8.551 11.779 -0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.749 9.403 -0.038 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.113 9.962 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.790 9.212 -3.774 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.877 8.767 -2.329 1.00 0.00 H new ATOM 365 N PHE A 27 5.466 12.893 0.121 1.00 0.00 N ATOM 366 CA PHE A 27 4.553 13.972 -0.268 1.00 0.00 C ATOM 367 C PHE A 27 5.227 15.338 -0.074 1.00 0.00 C ATOM 368 O PHE A 27 5.443 15.784 1.055 1.00 0.00 O ATOM 369 CB PHE A 27 3.243 13.899 0.524 1.00 0.00 C ATOM 370 CG PHE A 27 2.197 14.945 0.151 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.704 15.034 -1.169 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.675 15.804 1.136 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.675 15.941 -1.497 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.650 16.713 0.811 1.00 0.00 C ATOM 375 CZ PHE A 27 0.138 16.767 -0.496 1.00 0.00 C ATOM 0 H PHE A 27 5.151 12.356 0.929 1.00 0.00 H new ATOM 0 HA PHE A 27 4.312 13.849 -1.324 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.808 12.909 0.385 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.473 14.001 1.585 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.120 14.399 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.062 15.766 2.144 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.303 16.000 -2.509 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.255 17.372 1.570 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.669 17.444 -0.731 1.00 0.00 H new ATOM 385 N THR A 28 5.541 16.024 -1.168 1.00 0.00 N ATOM 386 CA THR A 28 6.165 17.367 -1.160 1.00 0.00 C ATOM 387 C THR A 28 5.123 18.491 -1.108 1.00 0.00 C ATOM 388 O THR A 28 5.473 19.674 -1.110 1.00 0.00 O ATOM 389 CB THR A 28 7.067 17.578 -2.389 1.00 0.00 C ATOM 390 OG1 THR A 28 6.358 17.326 -3.581 1.00 0.00 O ATOM 391 CG2 THR A 28 8.271 16.642 -2.367 1.00 0.00 C ATOM 0 H THR A 28 5.371 15.667 -2.108 1.00 0.00 H new ATOM 0 HA THR A 28 6.770 17.410 -0.255 1.00 0.00 H new ATOM 0 HB THR A 28 7.401 18.615 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.949 17.467 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.886 16.819 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.861 16.830 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.928 15.607 -2.365 1.00 0.00 H new ATOM 399 N GLY A 29 3.841 18.123 -1.076 1.00 0.00 N ATOM 400 CA GLY A 29 2.692 19.019 -1.122 1.00 0.00 C ATOM 401 C GLY A 29 2.129 19.058 -2.548 1.00 0.00 C ATOM 402 O GLY A 29 2.879 18.886 -3.514 1.00 0.00 O ATOM 0 H GLY A 29 3.566 17.143 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.925 18.679 -0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.986 20.021 -0.808 1.00 0.00 H new ATOM 406 N CYS A 30 0.821 19.282 -2.667 1.00 0.00 N ATOM 407 CA CYS A 30 0.079 19.309 -3.921 1.00 0.00 C ATOM 408 C CYS A 30 0.664 20.257 -4.974 1.00 0.00 C ATOM 409 O CYS A 30 1.471 21.151 -4.685 1.00 0.00 O ATOM 410 CB CYS A 30 -1.392 19.664 -3.617 1.00 0.00 C ATOM 411 SG CYS A 30 -2.533 19.178 -4.973 1.00 0.00 S ATOM 0 H CYS A 30 0.227 19.457 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 30 0.154 18.316 -4.364 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.698 19.169 -2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.475 20.737 -3.445 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.711 18.931 -4.481 1.00 0.00 H new ATOM 416 N ALA A 31 0.181 20.107 -6.197 1.00 0.00 N ATOM 417 CA ALA A 31 0.470 21.003 -7.308 1.00 0.00 C ATOM 418 C ALA A 31 -0.812 21.546 -7.968 1.00 0.00 C ATOM 419 O ALA A 31 -0.722 22.524 -8.721 1.00 0.00 O ATOM 420 CB ALA A 31 1.451 20.376 -8.298 1.00 0.00 C ATOM 0 H ALA A 31 -0.439 19.339 -6.452 1.00 0.00 H new ATOM 0 HA ALA A 31 0.975 21.879 -6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.642 21.074 -9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.387 20.149 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.025 19.457 -8.700 1.00 0.00 H new ATOM 426 N VAL A 32 -2.002 21.013 -7.648 1.00 0.00 N ATOM 427 CA VAL A 32 -3.274 21.593 -8.104 1.00 0.00 C ATOM 428 C VAL A 32 -3.557 22.876 -7.302 1.00 0.00 C ATOM 429 O VAL A 32 -4.074 23.845 -7.869 1.00 0.00 O ATOM 430 CB VAL A 32 -4.454 20.590 -8.005 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.848 21.225 -8.142 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.387 19.537 -9.122 1.00 0.00 C ATOM 0 H VAL A 32 -2.109 20.178 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.180 21.838 -9.162 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.338 20.166 -7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.610 20.450 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.992 21.961 -7.351 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.931 21.715 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.227 18.849 -9.025 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.434 20.032 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.453 18.981 -9.043 1.00 0.00 H new ATOM 442 N CYS A 33 -3.188 22.906 -6.012 1.00 0.00 N ATOM 443 CA CYS A 33 -3.392 24.023 -5.082 1.00 0.00 C ATOM 444 C CYS A 33 -2.160 24.456 -4.244 1.00 0.00 C ATOM 445 O CYS A 33 -2.174 25.555 -3.674 1.00 0.00 O ATOM 446 CB CYS A 33 -4.532 23.638 -4.139 1.00 0.00 C ATOM 447 SG CYS A 33 -4.010 22.261 -3.061 1.00 0.00 S ATOM 0 H CYS A 33 -2.718 22.115 -5.571 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.614 24.892 -5.702 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.819 24.497 -3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.410 23.347 -4.716 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.519 21.302 -3.789 1.00 0.00 H new ATOM 452 N SER A 34 -1.100 23.636 -4.177 1.00 0.00 N ATOM 453 CA SER A 34 0.163 23.891 -3.446 1.00 0.00 C ATOM 454 C SER A 34 0.151 23.619 -1.918 1.00 0.00 C ATOM 455 O SER A 34 1.044 24.099 -1.210 1.00 0.00 O ATOM 456 CB SER A 34 0.744 25.277 -3.793 1.00 0.00 C ATOM 457 OG SER A 34 2.153 25.313 -3.617 1.00 0.00 O ATOM 0 H SER A 34 -1.094 22.733 -4.651 1.00 0.00 H new ATOM 0 HA SER A 34 0.839 23.121 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.499 25.526 -4.825 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.279 26.035 -3.163 1.00 0.00 H new ATOM 0 HG SER A 34 2.386 24.899 -2.760 1.00 0.00 H new ATOM 463 N LYS A 35 -0.812 22.860 -1.365 1.00 0.00 N ATOM 464 CA LYS A 35 -0.886 22.549 0.088 1.00 0.00 C ATOM 465 C LYS A 35 -0.072 21.308 0.488 1.00 0.00 C ATOM 466 O LYS A 35 -0.059 20.312 -0.230 1.00 0.00 O ATOM 467 CB LYS A 35 -2.354 22.329 0.486 1.00 0.00 C ATOM 468 CG LYS A 35 -3.131 23.653 0.595 1.00 0.00 C ATOM 469 CD LYS A 35 -3.631 23.882 2.022 1.00 0.00 C ATOM 470 CE LYS A 35 -4.264 25.273 2.146 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.663 25.572 3.545 1.00 0.00 N ATOM 0 H LYS A 35 -1.566 22.440 -1.908 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.454 23.401 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.836 21.686 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.395 21.806 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.489 24.481 0.294 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.977 23.639 -0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.362 23.117 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.803 23.788 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.557 26.027 1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.138 25.334 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.535 26.139 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.830 24.682 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.904 26.104 4.016 1.00 0.00 H new ATOM 485 N ARG A 36 0.546 21.326 1.678 1.00 0.00 N ATOM 486 CA ARG A 36 1.283 20.191 2.286 1.00 0.00 C ATOM 487 C ARG A 36 0.600 19.767 3.598 1.00 0.00 C ATOM 488 O ARG A 36 -0.190 20.533 4.139 1.00 0.00 O ATOM 489 CB ARG A 36 2.772 20.525 2.450 1.00 0.00 C ATOM 490 CG ARG A 36 3.590 19.245 2.701 1.00 0.00 C ATOM 491 CD ARG A 36 5.071 19.456 2.422 1.00 0.00 C ATOM 492 NE ARG A 36 5.794 18.170 2.520 1.00 0.00 N ATOM 493 CZ ARG A 36 6.921 17.896 3.147 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.639 18.808 3.740 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.343 16.667 3.182 1.00 0.00 N ATOM 0 H ARG A 36 0.551 22.157 2.270 1.00 0.00 H new ATOM 0 HA ARG A 36 1.247 19.331 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.138 21.027 1.555 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.906 21.217 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.457 18.926 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.212 18.442 2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.205 19.883 1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.485 20.170 3.134 1.00 0.00 H new ATOM 0 HE ARG A 36 5.360 17.385 2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.335 19.782 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.505 18.548 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.804 15.930 2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.213 16.440 3.663 1.00 0.00 H new ATOM 509 N ASP A 37 0.869 18.549 4.086 1.00 0.00 N ATOM 510 CA ASP A 37 0.259 17.930 5.288 1.00 0.00 C ATOM 511 C ASP A 37 -1.288 17.926 5.310 1.00 0.00 C ATOM 512 O ASP A 37 -1.943 17.868 6.353 1.00 0.00 O ATOM 513 CB ASP A 37 0.923 18.420 6.581 1.00 0.00 C ATOM 514 CG ASP A 37 0.713 19.902 6.958 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.305 20.237 7.611 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.624 20.723 6.690 1.00 0.00 O ATOM 0 H ASP A 37 1.548 17.933 3.639 1.00 0.00 H new ATOM 0 HA ASP A 37 0.485 16.866 5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.557 17.806 7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.995 18.239 6.501 1.00 0.00 H new ATOM 521 N PHE A 38 -1.857 17.962 4.109 1.00 0.00 N ATOM 522 CA PHE A 38 -3.277 18.011 3.771 1.00 0.00 C ATOM 523 C PHE A 38 -3.679 16.818 2.897 1.00 0.00 C ATOM 524 O PHE A 38 -3.492 16.827 1.683 1.00 0.00 O ATOM 525 CB PHE A 38 -3.613 19.344 3.080 1.00 0.00 C ATOM 526 CG PHE A 38 -4.034 20.475 4.007 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.249 20.869 5.107 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.257 21.128 3.768 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.668 21.928 5.932 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.674 22.193 4.584 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.878 22.594 5.672 1.00 0.00 C ATOM 0 H PHE A 38 -1.281 17.957 3.267 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.853 17.947 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.741 19.669 2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.414 19.169 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.322 20.356 5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.882 20.807 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.057 22.231 6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.603 22.702 4.376 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.195 23.410 6.305 1.00 0.00 H new ATOM 541 N MET A 39 -4.270 15.799 3.523 1.00 0.00 N ATOM 542 CA MET A 39 -4.778 14.610 2.824 1.00 0.00 C ATOM 543 C MET A 39 -5.783 13.777 3.629 1.00 0.00 C ATOM 544 O MET A 39 -5.720 13.675 4.856 1.00 0.00 O ATOM 545 CB MET A 39 -3.649 13.693 2.312 1.00 0.00 C ATOM 546 CG MET A 39 -2.545 13.399 3.341 1.00 0.00 C ATOM 547 SD MET A 39 -0.890 13.993 2.900 1.00 0.00 S ATOM 548 CE MET A 39 -0.602 13.069 1.365 1.00 0.00 C ATOM 0 H MET A 39 -4.412 15.772 4.533 1.00 0.00 H new ATOM 0 HA MET A 39 -5.316 15.029 1.973 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.085 12.748 1.987 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.196 14.153 1.434 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.831 13.846 4.293 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.496 12.321 3.497 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.463 12.866 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.149 12.127 1.399 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.947 13.658 0.515 1.00 0.00 H new ATOM 558 N LEU A 40 -6.684 13.159 2.869 1.00 0.00 N ATOM 559 CA LEU A 40 -7.786 12.265 3.225 1.00 0.00 C ATOM 560 C LEU A 40 -7.658 10.961 2.414 1.00 0.00 C ATOM 561 O LEU A 40 -6.961 10.912 1.396 1.00 0.00 O ATOM 562 CB LEU A 40 -9.117 12.973 2.863 1.00 0.00 C ATOM 563 CG LEU A 40 -9.798 13.857 3.924 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.771 13.034 4.772 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.853 14.552 4.886 1.00 0.00 C ATOM 0 H LEU A 40 -6.655 13.290 1.858 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.762 12.030 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.933 13.593 1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.830 12.204 2.567 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.303 14.625 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.241 13.678 5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.538 12.602 4.129 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.228 12.235 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.428 15.150 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.273 13.806 5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.178 15.201 4.328 1.00 0.00 H new ATOM 577 N ILE A 41 -8.388 9.925 2.830 1.00 0.00 N ATOM 578 CA ILE A 41 -8.498 8.631 2.152 1.00 0.00 C ATOM 579 C ILE A 41 -9.990 8.373 1.944 1.00 0.00 C ATOM 580 O ILE A 41 -10.794 8.544 2.865 1.00 0.00 O ATOM 581 CB ILE A 41 -7.846 7.502 2.984 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.316 7.708 3.079 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.184 6.111 2.394 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.628 6.770 4.081 1.00 0.00 C ATOM 0 H ILE A 41 -8.943 9.966 3.685 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.969 8.648 1.199 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.257 7.543 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.876 7.558 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.114 8.741 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.713 5.335 2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.264 5.967 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.813 6.050 1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.557 6.973 4.093 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.040 6.936 5.076 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.798 5.735 3.786 1.00 0.00 H new ATOM 596 N THR A 42 -10.359 7.942 0.741 1.00 0.00 N ATOM 597 CA THR A 42 -11.744 7.599 0.393 1.00 0.00 C ATOM 598 C THR A 42 -11.783 6.499 -0.661 1.00 0.00 C ATOM 599 O THR A 42 -10.740 6.103 -1.189 1.00 0.00 O ATOM 600 CB THR A 42 -12.531 8.844 -0.069 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.890 8.662 0.273 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.492 9.133 -1.573 1.00 0.00 C ATOM 0 H THR A 42 -9.703 7.818 -0.030 1.00 0.00 H new ATOM 0 HA THR A 42 -12.230 7.220 1.292 1.00 0.00 H new ATOM 0 HB THR A 42 -12.050 9.686 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.407 9.445 -0.011 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.076 10.028 -1.787 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.460 9.290 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.912 8.287 -2.117 1.00 0.00 H new ATOM 610 N ASN A 43 -12.992 6.034 -0.994 1.00 0.00 N ATOM 611 CA ASN A 43 -13.248 5.067 -2.069 1.00 0.00 C ATOM 612 C ASN A 43 -12.505 3.717 -1.873 1.00 0.00 C ATOM 613 O ASN A 43 -12.345 2.923 -2.804 1.00 0.00 O ATOM 614 CB ASN A 43 -13.007 5.855 -3.380 1.00 0.00 C ATOM 615 CG ASN A 43 -13.086 5.063 -4.668 1.00 0.00 C ATOM 616 OD1 ASN A 43 -14.098 4.463 -5.006 1.00 0.00 O ATOM 617 ND2 ASN A 43 -12.028 5.083 -5.444 1.00 0.00 N ATOM 0 H ASN A 43 -13.842 6.327 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.270 4.690 -2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.736 6.663 -3.431 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.022 6.318 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.043 4.595 -6.340 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.190 5.586 -5.152 1.00 0.00 H new ATOM 624 N LYS A 44 -12.065 3.452 -0.632 1.00 0.00 N ATOM 625 CA LYS A 44 -11.362 2.244 -0.191 1.00 0.00 C ATOM 626 C LYS A 44 -12.184 0.980 -0.448 1.00 0.00 C ATOM 627 O LYS A 44 -13.233 0.765 0.167 1.00 0.00 O ATOM 628 CB LYS A 44 -11.004 2.377 1.299 1.00 0.00 C ATOM 629 CG LYS A 44 -9.976 1.316 1.732 1.00 0.00 C ATOM 630 CD LYS A 44 -9.617 1.367 3.223 1.00 0.00 C ATOM 631 CE LYS A 44 -8.660 0.203 3.522 1.00 0.00 C ATOM 632 NZ LYS A 44 -8.275 0.131 4.951 1.00 0.00 N ATOM 0 H LYS A 44 -12.200 4.115 0.131 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.446 2.146 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.603 3.372 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.907 2.276 1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.369 0.327 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.067 1.445 1.145 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.147 2.319 3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.516 1.288 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.133 -0.735 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.762 0.311 2.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.847 -0.796 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.588 0.882 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.120 0.256 5.545 1.00 0.00 H new ATOM 646 N SER A 45 -11.683 0.145 -1.346 1.00 0.00 N ATOM 647 CA SER A 45 -12.246 -1.148 -1.722 1.00 0.00 C ATOM 648 C SER A 45 -11.412 -2.306 -1.175 1.00 0.00 C ATOM 649 O SER A 45 -10.211 -2.172 -0.924 1.00 0.00 O ATOM 650 CB SER A 45 -12.338 -1.236 -3.250 1.00 0.00 C ATOM 651 OG SER A 45 -13.308 -0.326 -3.747 1.00 0.00 O ATOM 0 H SER A 45 -10.829 0.360 -1.860 1.00 0.00 H new ATOM 0 HA SER A 45 -13.242 -1.229 -1.287 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.366 -1.016 -3.691 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.600 -2.252 -3.546 1.00 0.00 H new ATOM 0 HG SER A 45 -13.351 -0.395 -4.724 1.00 0.00 H new ATOM 657 N LEU A 46 -12.053 -3.466 -1.019 1.00 0.00 N ATOM 658 CA LEU A 46 -11.450 -4.706 -0.529 1.00 0.00 C ATOM 659 C LEU A 46 -11.982 -5.911 -1.316 1.00 0.00 C ATOM 660 O LEU A 46 -13.176 -5.994 -1.619 1.00 0.00 O ATOM 661 CB LEU A 46 -11.661 -4.831 0.991 1.00 0.00 C ATOM 662 CG LEU A 46 -11.237 -6.200 1.582 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.657 -6.014 2.986 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.396 -7.194 1.703 1.00 0.00 C ATOM 0 H LEU A 46 -13.043 -3.571 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.373 -4.683 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.098 -4.042 1.490 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.714 -4.662 1.215 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.501 -6.602 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.363 -6.983 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.785 -5.362 2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.409 -5.564 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.030 -8.131 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.164 -6.779 2.356 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.820 -7.380 0.716 1.00 0.00 H new ATOM 676 N LYS A 47 -11.077 -6.831 -1.658 1.00 0.00 N ATOM 677 CA LYS A 47 -11.320 -8.053 -2.429 1.00 0.00 C ATOM 678 C LYS A 47 -10.687 -9.264 -1.759 1.00 0.00 C ATOM 679 O LYS A 47 -9.631 -9.138 -1.148 1.00 0.00 O ATOM 680 CB LYS A 47 -10.758 -7.891 -3.847 1.00 0.00 C ATOM 681 CG LYS A 47 -11.676 -8.485 -4.918 1.00 0.00 C ATOM 682 CD LYS A 47 -11.093 -8.375 -6.338 1.00 0.00 C ATOM 683 CE LYS A 47 -10.914 -6.935 -6.850 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.214 -6.244 -7.068 1.00 0.00 N ATOM 0 H LYS A 47 -10.098 -6.738 -1.389 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.397 -8.216 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.604 -6.832 -4.053 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.782 -8.372 -3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.862 -9.534 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.639 -7.976 -4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.125 -8.876 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -11.745 -8.912 -7.026 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.320 -6.368 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.353 -6.952 -7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.040 -5.278 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.772 -6.768 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.740 -6.202 -6.172 1.00 0.00 H new ATOM 698 N GLU A 48 -11.305 -10.431 -1.876 1.00 0.00 N ATOM 699 CA GLU A 48 -10.727 -11.671 -1.333 1.00 0.00 C ATOM 700 C GLU A 48 -10.925 -12.852 -2.301 1.00 0.00 C ATOM 701 O GLU A 48 -12.053 -13.274 -2.562 1.00 0.00 O ATOM 702 CB GLU A 48 -11.374 -11.996 0.026 1.00 0.00 C ATOM 703 CG GLU A 48 -11.180 -10.936 1.116 1.00 0.00 C ATOM 704 CD GLU A 48 -11.830 -11.407 2.432 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.209 -12.206 3.176 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.979 -10.997 2.729 1.00 0.00 O ATOM 0 H GLU A 48 -12.205 -10.554 -2.340 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.656 -11.517 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.443 -12.145 -0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.968 -12.941 0.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.117 -10.753 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.623 -9.992 0.800 1.00 0.00 H new ATOM 713 N GLU A 49 -9.823 -13.410 -2.815 1.00 0.00 N ATOM 714 CA GLU A 49 -9.794 -14.608 -3.669 1.00 0.00 C ATOM 715 C GLU A 49 -8.996 -15.770 -3.057 1.00 0.00 C ATOM 716 O GLU A 49 -7.788 -15.656 -2.885 1.00 0.00 O ATOM 717 CB GLU A 49 -9.244 -14.282 -5.066 1.00 0.00 C ATOM 718 CG GLU A 49 -10.081 -13.270 -5.870 1.00 0.00 C ATOM 719 CD GLU A 49 -11.517 -13.747 -6.183 1.00 0.00 C ATOM 720 OE1 GLU A 49 -11.740 -14.965 -6.398 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.433 -12.894 -6.263 1.00 0.00 O ATOM 0 H GLU A 49 -8.893 -13.028 -2.643 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.831 -14.935 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.232 -13.892 -4.961 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.171 -15.207 -5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.134 -12.334 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.569 -13.054 -6.808 1.00 0.00 H new ATOM 728 N ASP A 50 -9.613 -16.931 -2.850 1.00 0.00 N ATOM 729 CA ASP A 50 -8.971 -18.200 -2.425 1.00 0.00 C ATOM 730 C ASP A 50 -7.925 -18.155 -1.272 1.00 0.00 C ATOM 731 O ASP A 50 -7.077 -19.042 -1.143 1.00 0.00 O ATOM 732 CB ASP A 50 -8.385 -18.835 -3.704 1.00 0.00 C ATOM 733 CG ASP A 50 -8.078 -20.341 -3.569 1.00 0.00 C ATOM 734 OD1 ASP A 50 -8.928 -21.094 -3.032 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.014 -20.790 -4.059 1.00 0.00 O ATOM 0 H ASP A 50 -10.620 -17.031 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.752 -18.796 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.087 -18.689 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.468 -18.310 -3.972 1.00 0.00 H new ATOM 740 N GLY A 51 -7.954 -17.113 -0.439 1.00 0.00 N ATOM 741 CA GLY A 51 -7.016 -16.858 0.673 1.00 0.00 C ATOM 742 C GLY A 51 -6.229 -15.549 0.514 1.00 0.00 C ATOM 743 O GLY A 51 -5.743 -14.995 1.501 1.00 0.00 O ATOM 0 H GLY A 51 -8.664 -16.385 -0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.573 -16.828 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.315 -17.689 0.746 1.00 0.00 H new ATOM 747 N GLU A 52 -6.136 -15.024 -0.710 1.00 0.00 N ATOM 748 CA GLU A 52 -5.534 -13.729 -1.026 1.00 0.00 C ATOM 749 C GLU A 52 -6.501 -12.615 -0.606 1.00 0.00 C ATOM 750 O GLU A 52 -7.699 -12.690 -0.879 1.00 0.00 O ATOM 751 CB GLU A 52 -5.217 -13.645 -2.537 1.00 0.00 C ATOM 752 CG GLU A 52 -4.653 -12.293 -3.018 1.00 0.00 C ATOM 753 CD GLU A 52 -4.412 -12.230 -4.545 1.00 0.00 C ATOM 754 OE1 GLU A 52 -5.087 -12.939 -5.331 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.545 -11.431 -4.979 1.00 0.00 O ATOM 0 H GLU A 52 -6.490 -15.506 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.597 -13.612 -0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.500 -14.428 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.129 -13.859 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.344 -11.499 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.713 -12.097 -2.502 1.00 0.00 H new ATOM 762 N GLU A 53 -5.980 -11.561 0.017 1.00 0.00 N ATOM 763 CA GLU A 53 -6.716 -10.367 0.431 1.00 0.00 C ATOM 764 C GLU A 53 -6.142 -9.157 -0.309 1.00 0.00 C ATOM 765 O GLU A 53 -4.929 -8.950 -0.318 1.00 0.00 O ATOM 766 CB GLU A 53 -6.623 -10.164 1.954 1.00 0.00 C ATOM 767 CG GLU A 53 -7.229 -11.318 2.766 1.00 0.00 C ATOM 768 CD GLU A 53 -7.186 -11.022 4.278 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.926 -10.123 4.751 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.420 -11.692 5.014 1.00 0.00 O ATOM 0 H GLU A 53 -4.990 -11.513 0.258 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.770 -10.486 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.576 -10.045 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.131 -9.237 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.261 -11.482 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.683 -12.238 2.558 1.00 0.00 H new ATOM 777 N ILE A 54 -6.990 -8.341 -0.933 1.00 0.00 N ATOM 778 CA ILE A 54 -6.576 -7.175 -1.708 1.00 0.00 C ATOM 779 C ILE A 54 -7.268 -5.928 -1.163 1.00 0.00 C ATOM 780 O ILE A 54 -8.457 -5.969 -0.848 1.00 0.00 O ATOM 781 CB ILE A 54 -6.889 -7.364 -3.212 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.301 -8.670 -3.803 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.300 -6.170 -3.966 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.289 -9.845 -3.825 1.00 0.00 C ATOM 0 H ILE A 54 -8.001 -8.475 -0.913 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.497 -7.056 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.971 -7.431 -3.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.961 -8.476 -4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.424 -8.957 -3.223 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.505 -6.275 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.752 -5.249 -3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.222 -6.134 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.802 -10.722 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.611 -10.069 -2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.156 -9.580 -4.430 1.00 0.00 H new ATOM 796 N VAL A 55 -6.536 -4.818 -1.081 1.00 0.00 N ATOM 797 CA VAL A 55 -7.033 -3.515 -0.630 1.00 0.00 C ATOM 798 C VAL A 55 -6.585 -2.439 -1.610 1.00 0.00 C ATOM 799 O VAL A 55 -5.387 -2.212 -1.787 1.00 0.00 O ATOM 800 CB VAL A 55 -6.494 -3.191 0.774 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.078 -1.872 1.280 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.824 -4.305 1.775 1.00 0.00 C ATOM 0 H VAL A 55 -5.548 -4.798 -1.334 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.122 -3.546 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.410 -3.106 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.686 -1.658 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.801 -1.067 0.600 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.164 -1.949 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.428 -4.042 2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.905 -4.426 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.374 -5.240 1.441 1.00 0.00 H new ATOM 812 N THR A 56 -7.537 -1.763 -2.247 1.00 0.00 N ATOM 813 CA THR A 56 -7.263 -0.658 -3.183 1.00 0.00 C ATOM 814 C THR A 56 -7.948 0.642 -2.748 1.00 0.00 C ATOM 815 O THR A 56 -9.117 0.624 -2.364 1.00 0.00 O ATOM 816 CB THR A 56 -7.549 -1.068 -4.637 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.925 -1.306 -4.855 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.803 -2.361 -5.001 1.00 0.00 C ATOM 0 H THR A 56 -8.531 -1.962 -2.132 1.00 0.00 H new ATOM 0 HA THR A 56 -6.196 -0.439 -3.148 1.00 0.00 H new ATOM 0 HB THR A 56 -7.211 -0.237 -5.257 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.069 -1.562 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.022 -2.629 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.730 -2.207 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.127 -3.166 -4.341 1.00 0.00 H new ATOM 826 N TYR A 57 -7.253 1.782 -2.784 1.00 0.00 N ATOM 827 CA TYR A 57 -7.806 3.094 -2.400 1.00 0.00 C ATOM 828 C TYR A 57 -7.131 4.275 -3.118 1.00 0.00 C ATOM 829 O TYR A 57 -6.342 4.096 -4.052 1.00 0.00 O ATOM 830 CB TYR A 57 -7.785 3.257 -0.872 1.00 0.00 C ATOM 831 CG TYR A 57 -6.447 3.323 -0.152 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.851 2.139 0.322 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.864 4.568 0.163 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.707 2.204 1.140 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.723 4.637 0.983 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.154 3.454 1.499 1.00 0.00 C ATOM 837 OH TYR A 57 -3.105 3.515 2.365 1.00 0.00 O ATOM 0 H TYR A 57 -6.279 1.826 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.843 3.114 -2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.332 4.168 -0.632 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.347 2.426 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.272 1.180 0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.297 5.476 -0.229 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.249 1.293 1.495 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.283 5.595 1.217 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.943 4.448 2.618 1.00 0.00 H new ATOM 847 N ASP A 58 -7.413 5.495 -2.658 1.00 0.00 N ATOM 848 CA ASP A 58 -6.868 6.730 -3.205 1.00 0.00 C ATOM 849 C ASP A 58 -6.566 7.715 -2.062 1.00 0.00 C ATOM 850 O ASP A 58 -7.196 7.676 -1.000 1.00 0.00 O ATOM 851 CB ASP A 58 -7.948 7.424 -4.065 1.00 0.00 C ATOM 852 CG ASP A 58 -8.552 6.605 -5.215 1.00 0.00 C ATOM 853 OD1 ASP A 58 -9.390 5.716 -4.946 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.283 6.924 -6.396 1.00 0.00 O ATOM 0 H ASP A 58 -8.045 5.651 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.974 6.484 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.759 7.733 -3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.515 8.332 -4.486 1.00 0.00 H new ATOM 859 N HIS A 59 -5.678 8.669 -2.333 1.00 0.00 N ATOM 860 CA HIS A 59 -5.351 9.785 -1.444 1.00 0.00 C ATOM 861 C HIS A 59 -5.947 11.040 -2.081 1.00 0.00 C ATOM 862 O HIS A 59 -5.883 11.209 -3.298 1.00 0.00 O ATOM 863 CB HIS A 59 -3.837 9.942 -1.259 1.00 0.00 C ATOM 864 CG HIS A 59 -3.121 8.704 -0.771 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.703 8.449 0.519 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.601 7.710 -1.561 1.00 0.00 C ATOM 867 CE1 HIS A 59 -1.929 7.350 0.491 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.834 6.862 -0.755 1.00 0.00 N ATOM 0 H HIS A 59 -5.149 8.689 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.762 9.608 -0.450 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.400 10.245 -2.210 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.655 10.751 -0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.757 7.601 -2.624 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.448 6.918 1.356 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -1.309 6.040 -1.054 1.00 0.00 H new ATOM 876 N LEU A 60 -6.535 11.921 -1.280 1.00 0.00 N ATOM 877 CA LEU A 60 -7.240 13.115 -1.739 1.00 0.00 C ATOM 878 C LEU A 60 -6.803 14.331 -0.930 1.00 0.00 C ATOM 879 O LEU A 60 -6.830 14.290 0.299 1.00 0.00 O ATOM 880 CB LEU A 60 -8.767 12.932 -1.600 1.00 0.00 C ATOM 881 CG LEU A 60 -9.441 12.023 -2.647 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.441 10.536 -2.269 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.905 12.445 -2.794 1.00 0.00 C ATOM 0 H LEU A 60 -6.535 11.823 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.993 13.270 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.975 12.527 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.236 13.915 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.866 12.138 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.932 9.961 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.414 10.190 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.977 10.399 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.394 11.810 -3.532 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.411 12.342 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.953 13.484 -3.120 1.00 0.00 H new ATOM 895 N CYS A 61 -6.426 15.408 -1.612 1.00 0.00 N ATOM 896 CA CYS A 61 -5.999 16.663 -1.005 1.00 0.00 C ATOM 897 C CYS A 61 -7.080 17.220 -0.062 1.00 0.00 C ATOM 898 O CYS A 61 -8.223 17.435 -0.466 1.00 0.00 O ATOM 899 CB CYS A 61 -5.659 17.604 -2.172 1.00 0.00 C ATOM 900 SG CYS A 61 -4.692 19.056 -1.657 1.00 0.00 S ATOM 0 H CYS A 61 -6.409 15.432 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.123 16.535 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.099 17.051 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.583 17.939 -2.643 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.902 20.034 -2.488 1.00 0.00 H new ATOM 905 N LYS A 62 -6.758 17.469 1.213 1.00 0.00 N ATOM 906 CA LYS A 62 -7.722 18.040 2.180 1.00 0.00 C ATOM 907 C LYS A 62 -8.178 19.460 1.764 1.00 0.00 C ATOM 908 O LYS A 62 -9.160 19.969 2.308 1.00 0.00 O ATOM 909 CB LYS A 62 -7.097 17.984 3.595 1.00 0.00 C ATOM 910 CG LYS A 62 -7.761 18.803 4.715 1.00 0.00 C ATOM 911 CD LYS A 62 -9.195 18.356 5.037 1.00 0.00 C ATOM 912 CE LYS A 62 -9.937 19.360 5.931 1.00 0.00 C ATOM 913 NZ LYS A 62 -10.232 20.634 5.218 1.00 0.00 N ATOM 0 H LYS A 62 -5.835 17.285 1.607 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.635 17.445 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.080 16.941 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.060 18.310 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.154 18.727 5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.773 19.854 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.748 18.224 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.167 17.385 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.870 18.915 6.278 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.336 19.571 6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.732 21.417 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.914 20.561 4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.256 20.815 5.239 1.00 0.00 H new ATOM 927 N ASN A 63 -7.504 20.092 0.797 1.00 0.00 N ATOM 928 CA ASN A 63 -7.824 21.428 0.311 1.00 0.00 C ATOM 929 C ASN A 63 -8.700 21.377 -0.955 1.00 0.00 C ATOM 930 O ASN A 63 -9.868 21.776 -0.896 1.00 0.00 O ATOM 931 CB ASN A 63 -6.521 22.204 0.090 1.00 0.00 C ATOM 932 CG ASN A 63 -6.796 23.600 -0.435 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.499 24.390 0.181 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.256 23.960 -1.570 1.00 0.00 N ATOM 0 H ASN A 63 -6.703 19.674 0.323 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.417 21.953 1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.969 22.268 1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.889 21.665 -0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.421 24.896 -1.939 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.669 23.304 -2.086 1.00 0.00 H new ATOM 941 N CYS A 64 -8.167 20.886 -2.079 1.00 0.00 N ATOM 942 CA CYS A 64 -8.867 20.815 -3.364 1.00 0.00 C ATOM 943 C CYS A 64 -9.582 19.471 -3.650 1.00 0.00 C ATOM 944 O CYS A 64 -10.303 19.361 -4.649 1.00 0.00 O ATOM 945 CB CYS A 64 -7.883 21.222 -4.485 1.00 0.00 C ATOM 946 SG CYS A 64 -6.359 20.210 -4.570 1.00 0.00 S ATOM 0 H CYS A 64 -7.216 20.519 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.696 21.521 -3.323 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.399 21.159 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.602 22.266 -4.342 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.345 20.918 -4.169 1.00 0.00 H new ATOM 951 N HIS A 65 -9.421 18.452 -2.790 1.00 0.00 N ATOM 952 CA HIS A 65 -9.974 17.082 -2.937 1.00 0.00 C ATOM 953 C HIS A 65 -9.659 16.395 -4.272 1.00 0.00 C ATOM 954 O HIS A 65 -10.286 15.403 -4.647 1.00 0.00 O ATOM 955 CB HIS A 65 -11.435 16.995 -2.476 1.00 0.00 C ATOM 956 CG HIS A 65 -11.584 17.276 -1.000 1.00 0.00 C ATOM 957 ND1 HIS A 65 -12.052 18.451 -0.438 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.246 16.427 0.023 1.00 0.00 C ATOM 959 CE1 HIS A 65 -12.017 18.316 0.903 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.537 17.090 1.204 1.00 0.00 N ATOM 0 H HIS A 65 -8.879 18.558 -1.933 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.417 16.460 -2.237 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.036 17.706 -3.042 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.825 16.001 -2.696 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.833 15.434 -0.074 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.322 19.065 1.619 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.410 16.715 2.144 1.00 0.00 H new ATOM 969 N HIS A 66 -8.625 16.873 -4.954 1.00 0.00 N ATOM 970 CA HIS A 66 -8.042 16.236 -6.125 1.00 0.00 C ATOM 971 C HIS A 66 -7.365 14.934 -5.656 1.00 0.00 C ATOM 972 O HIS A 66 -6.822 14.882 -4.545 1.00 0.00 O ATOM 973 CB HIS A 66 -7.036 17.209 -6.728 1.00 0.00 C ATOM 974 CG HIS A 66 -5.708 16.624 -7.086 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.358 16.036 -8.280 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.567 16.834 -6.362 1.00 0.00 C ATOM 977 CE1 HIS A 66 -4.016 15.993 -8.316 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.500 16.515 -7.187 1.00 0.00 N ATOM 0 H HIS A 66 -8.156 17.742 -4.698 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.785 15.990 -6.884 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.474 17.647 -7.625 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.876 18.023 -6.021 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.996 15.697 -9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.508 17.182 -5.341 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.433 15.596 -9.134 1.00 0.00 H new ATOM 986 N VAL A 67 -7.371 13.885 -6.484 1.00 0.00 N ATOM 987 CA VAL A 67 -6.703 12.626 -6.140 1.00 0.00 C ATOM 988 C VAL A 67 -5.186 12.791 -6.276 1.00 0.00 C ATOM 989 O VAL A 67 -4.647 12.807 -7.385 1.00 0.00 O ATOM 990 CB VAL A 67 -7.234 11.445 -6.967 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.468 10.168 -6.622 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.719 11.191 -6.672 1.00 0.00 C ATOM 0 H VAL A 67 -7.830 13.882 -7.395 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.931 12.388 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.101 11.700 -8.018 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.855 9.340 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.410 10.308 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.592 9.944 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.070 10.350 -7.270 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.846 10.962 -5.614 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.297 12.081 -6.922 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.508 12.895 -5.130 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.050 13.039 -5.014 1.00 0.00 C ATOM 1004 C ILE A 68 -2.335 11.824 -5.622 1.00 0.00 C ATOM 1005 O ILE A 68 -1.359 11.959 -6.365 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.683 13.228 -3.523 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.069 14.673 -3.142 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.200 12.926 -3.204 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.958 14.973 -1.650 1.00 0.00 C ATOM 0 H ILE A 68 -4.974 12.881 -4.223 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.720 13.915 -5.572 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.235 12.503 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.430 15.365 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.093 14.862 -3.465 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.018 13.080 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.975 11.892 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.560 13.593 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.246 16.008 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.619 14.307 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.930 14.819 -1.323 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.825 10.625 -5.291 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.249 9.349 -5.699 1.00 0.00 C ATOM 1023 C ALA A 69 -3.236 8.179 -5.510 1.00 0.00 C ATOM 1024 O ALA A 69 -4.210 8.291 -4.759 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.000 9.146 -4.822 1.00 0.00 C ATOM 0 H ALA A 69 -3.659 10.517 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.005 9.366 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.522 8.201 -5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.300 9.965 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.292 9.128 -3.772 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.942 7.032 -6.137 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.672 5.762 -5.975 1.00 0.00 C ATOM 1033 C ARG A 70 -2.774 4.773 -5.231 1.00 0.00 C ATOM 1034 O ARG A 70 -1.570 4.738 -5.486 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.064 5.137 -7.323 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.428 5.573 -7.860 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.447 6.979 -8.460 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.840 7.371 -8.727 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.350 7.994 -9.767 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.633 8.361 -10.792 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.623 8.265 -9.783 1.00 0.00 N ATOM 0 H ARG A 70 -2.164 6.957 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.587 5.974 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.302 5.390 -8.060 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.060 4.052 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.750 4.862 -8.620 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.156 5.526 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.982 7.687 -7.774 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.867 7.002 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.509 7.123 -7.998 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.632 8.167 -10.810 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.073 8.842 -11.576 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.212 7.995 -8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.032 8.748 -10.583 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.388 3.959 -4.374 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.737 2.959 -3.523 1.00 0.00 C ATOM 1057 C HIS A 71 -3.329 1.568 -3.727 1.00 0.00 C ATOM 1058 O HIS A 71 -4.548 1.394 -3.789 1.00 0.00 O ATOM 1059 CB HIS A 71 -2.970 3.356 -2.058 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.049 2.690 -1.055 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.051 3.381 -0.365 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.029 1.371 -0.665 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.452 2.478 0.422 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.030 1.271 0.282 1.00 0.00 N ATOM 0 H HIS A 71 -4.400 3.978 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.678 2.928 -3.781 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.858 4.437 -1.969 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.001 3.120 -1.794 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.665 0.576 -1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.380 2.689 1.078 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.773 0.425 0.790 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.471 0.559 -3.775 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.845 -0.843 -3.867 1.00 0.00 C ATOM 1074 C GLU A 72 -1.952 -1.656 -2.927 1.00 0.00 C ATOM 1075 O GLU A 72 -0.730 -1.531 -2.935 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.731 -1.321 -5.327 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.816 -2.845 -5.453 1.00 0.00 C ATOM 1078 CD GLU A 72 -3.009 -3.272 -6.921 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.170 -3.338 -7.392 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -2.001 -3.545 -7.617 1.00 0.00 O ATOM 0 H GLU A 72 -1.461 0.700 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.882 -0.982 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.526 -0.866 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.785 -0.977 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.907 -3.297 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.645 -3.217 -4.851 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.571 -2.522 -2.135 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.907 -3.473 -1.253 1.00 0.00 C ATOM 1089 C TYR A 73 -2.562 -4.829 -1.502 1.00 0.00 C ATOM 1090 O TYR A 73 -3.783 -4.958 -1.421 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.036 -3.047 0.215 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.833 -4.176 1.217 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.582 -4.813 1.374 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.935 -4.625 1.968 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.426 -5.863 2.298 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.785 -5.669 2.898 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.523 -6.275 3.085 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.365 -7.247 4.023 1.00 0.00 O ATOM 0 H TYR A 73 -3.588 -2.584 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.838 -3.519 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.308 -2.262 0.418 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.024 -2.613 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.261 -4.492 0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.902 -4.165 1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.531 -6.352 2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.636 -6.008 3.470 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.220 -7.408 4.475 1.00 0.00 H new ATOM 1108 N THR A 74 -1.769 -5.842 -1.817 1.00 0.00 N ATOM 1109 CA THR A 74 -2.265 -7.200 -2.069 1.00 0.00 C ATOM 1110 C THR A 74 -1.467 -8.181 -1.207 1.00 0.00 C ATOM 1111 O THR A 74 -0.245 -8.083 -1.067 1.00 0.00 O ATOM 1112 CB THR A 74 -2.245 -7.592 -3.565 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.031 -8.195 -3.946 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.457 -6.421 -4.539 1.00 0.00 C ATOM 0 H THR A 74 -0.757 -5.752 -1.907 1.00 0.00 H new ATOM 0 HA THR A 74 -3.318 -7.237 -1.789 1.00 0.00 H new ATOM 0 HB THR A 74 -3.084 -8.284 -3.640 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.299 -7.552 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.427 -6.790 -5.564 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.426 -5.959 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.668 -5.682 -4.397 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.168 -9.118 -0.580 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.582 -10.121 0.309 1.00 0.00 C ATOM 1124 C PHE A 75 -2.043 -11.529 -0.103 1.00 0.00 C ATOM 1125 O PHE A 75 -3.240 -11.763 -0.185 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.996 -9.801 1.749 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.789 -10.970 2.679 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.485 -11.280 3.081 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.859 -11.814 3.039 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.242 -12.418 3.851 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.609 -12.974 3.794 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.295 -13.279 4.192 1.00 0.00 C ATOM 0 H PHE A 75 -3.180 -9.206 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.495 -10.097 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.421 -8.948 2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.046 -9.508 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.335 -10.637 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.867 -11.571 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.761 -12.637 4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.423 -13.628 4.067 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.097 -14.176 4.760 1.00 0.00 H new ATOM 1142 N SER A 76 -1.130 -12.473 -0.338 1.00 0.00 N ATOM 1143 CA SER A 76 -1.390 -13.852 -0.807 1.00 0.00 C ATOM 1144 C SER A 76 -0.754 -14.929 0.072 1.00 0.00 C ATOM 1145 O SER A 76 0.358 -14.761 0.548 1.00 0.00 O ATOM 1146 CB SER A 76 -0.836 -14.045 -2.229 1.00 0.00 C ATOM 1147 OG SER A 76 -1.790 -13.725 -3.220 1.00 0.00 O ATOM 0 H SER A 76 -0.135 -12.296 -0.202 1.00 0.00 H new ATOM 0 HA SER A 76 -2.473 -13.968 -0.770 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.047 -13.420 -2.361 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.516 -15.079 -2.355 1.00 0.00 H new ATOM 0 HG SER A 76 -1.397 -13.860 -4.108 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.424 -16.065 0.274 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.860 -17.218 1.015 1.00 0.00 C ATOM 1155 C ILE A 77 -0.583 -18.382 0.053 1.00 0.00 C ATOM 1156 O ILE A 77 -1.499 -18.859 -0.624 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.757 -17.650 2.194 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -2.037 -16.434 3.098 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.099 -18.827 2.944 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.514 -16.751 4.519 1.00 0.00 C ATOM 0 H ILE A 77 -2.372 -16.222 -0.067 1.00 0.00 H new ATOM 0 HA ILE A 77 0.087 -16.903 1.454 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.721 -18.008 1.834 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.126 -15.839 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.789 -15.811 2.614 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.735 -19.129 3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.970 -19.667 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.126 -18.517 3.325 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.679 -15.821 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.446 -17.315 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.757 -17.343 5.033 1.00 0.00 H new ATOM 1172 N MET A 78 0.674 -18.843 -0.001 1.00 0.00 N ATOM 1173 CA MET A 78 1.121 -19.975 -0.826 1.00 0.00 C ATOM 1174 C MET A 78 1.710 -21.134 -0.006 1.00 0.00 C ATOM 1175 O MET A 78 2.769 -20.978 0.594 1.00 0.00 O ATOM 1176 CB MET A 78 2.092 -19.510 -1.928 1.00 0.00 C ATOM 1177 CG MET A 78 3.228 -18.588 -1.447 1.00 0.00 C ATOM 1178 SD MET A 78 4.677 -18.456 -2.538 1.00 0.00 S ATOM 1179 CE MET A 78 3.900 -18.273 -4.165 1.00 0.00 C ATOM 0 H MET A 78 1.430 -18.427 0.543 1.00 0.00 H new ATOM 0 HA MET A 78 0.227 -20.375 -1.304 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.532 -20.389 -2.398 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.522 -18.989 -2.697 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.818 -17.589 -1.300 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.565 -18.941 -0.472 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.663 -18.040 -4.908 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.401 -19.203 -4.436 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.169 -17.465 -4.130 1.00 0.00 H new ATOM 1189 N ASP A 79 1.062 -22.305 -0.032 1.00 0.00 N ATOM 1190 CA ASP A 79 1.441 -23.579 0.619 1.00 0.00 C ATOM 1191 C ASP A 79 1.765 -23.518 2.130 1.00 0.00 C ATOM 1192 O ASP A 79 0.980 -23.999 2.950 1.00 0.00 O ATOM 1193 CB ASP A 79 2.600 -24.226 -0.158 1.00 0.00 C ATOM 1194 CG ASP A 79 2.192 -24.645 -1.580 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.417 -25.622 -1.721 1.00 0.00 O ATOM 1196 OD2 ASP A 79 2.651 -24.015 -2.562 1.00 0.00 O ATOM 0 H ASP A 79 0.188 -22.401 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 79 0.540 -24.190 0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.432 -23.525 -0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.956 -25.100 0.387 1.00 0.00 H new ATOM 1201 N GLU A 80 2.900 -22.927 2.505 1.00 0.00 N ATOM 1202 CA GLU A 80 3.390 -22.755 3.881 1.00 0.00 C ATOM 1203 C GLU A 80 3.950 -21.346 4.119 1.00 0.00 C ATOM 1204 O GLU A 80 4.575 -21.108 5.152 1.00 0.00 O ATOM 1205 CB GLU A 80 4.517 -23.752 4.214 1.00 0.00 C ATOM 1206 CG GLU A 80 4.296 -25.182 3.718 1.00 0.00 C ATOM 1207 CD GLU A 80 5.341 -26.148 4.307 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.458 -26.265 3.745 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.048 -26.815 5.331 1.00 0.00 O ATOM 0 H GLU A 80 3.543 -22.531 1.819 1.00 0.00 H new ATOM 0 HA GLU A 80 2.525 -22.930 4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.448 -23.378 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.649 -23.777 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.295 -25.514 3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.351 -25.204 2.630 1.00 0.00 H new ATOM 1216 N PHE A 81 3.796 -20.411 3.179 1.00 0.00 N ATOM 1217 CA PHE A 81 4.381 -19.077 3.309 1.00 0.00 C ATOM 1218 C PHE A 81 3.299 -18.023 3.032 1.00 0.00 C ATOM 1219 O PHE A 81 2.214 -18.315 2.521 1.00 0.00 O ATOM 1220 CB PHE A 81 5.509 -18.857 2.274 1.00 0.00 C ATOM 1221 CG PHE A 81 6.293 -20.074 1.820 1.00 0.00 C ATOM 1222 CD1 PHE A 81 6.904 -20.972 2.714 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.316 -20.348 0.442 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.566 -22.112 2.222 1.00 0.00 C ATOM 1225 CE2 PHE A 81 6.961 -21.489 -0.054 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.598 -22.371 0.839 1.00 0.00 C ATOM 0 H PHE A 81 3.269 -20.555 2.317 1.00 0.00 H new ATOM 0 HA PHE A 81 4.784 -18.987 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.069 -18.392 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.215 -18.140 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.865 -20.787 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.830 -19.670 -0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.051 -22.791 2.908 1.00 0.00 H new ATOM 0 HE2 PHE A 81 6.969 -21.690 -1.115 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.110 -23.245 0.464 1.00 0.00 H new ATOM 1236 N GLN A 82 3.634 -16.772 3.305 1.00 0.00 N ATOM 1237 CA GLN A 82 2.785 -15.608 3.072 1.00 0.00 C ATOM 1238 C GLN A 82 3.527 -14.613 2.196 1.00 0.00 C ATOM 1239 O GLN A 82 4.720 -14.419 2.379 1.00 0.00 O ATOM 1240 CB GLN A 82 2.415 -14.919 4.389 1.00 0.00 C ATOM 1241 CG GLN A 82 2.323 -15.806 5.617 1.00 0.00 C ATOM 1242 CD GLN A 82 1.768 -15.046 6.810 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.256 -13.998 7.212 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.706 -15.540 7.396 1.00 0.00 N ATOM 0 H GLN A 82 4.538 -16.527 3.710 1.00 0.00 H new ATOM 0 HA GLN A 82 1.871 -15.947 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.152 -14.141 4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.454 -14.422 4.255 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.685 -16.663 5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.311 -16.197 5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.299 -16.413 7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.286 -15.051 8.187 1.00 0.00 H new ATOM 1253 N GLU A 83 2.816 -13.942 1.306 1.00 0.00 N ATOM 1254 CA GLU A 83 3.323 -12.952 0.361 1.00 0.00 C ATOM 1255 C GLU A 83 2.609 -11.627 0.592 1.00 0.00 C ATOM 1256 O GLU A 83 1.382 -11.557 0.591 1.00 0.00 O ATOM 1257 CB GLU A 83 3.045 -13.386 -1.094 1.00 0.00 C ATOM 1258 CG GLU A 83 4.128 -14.275 -1.705 1.00 0.00 C ATOM 1259 CD GLU A 83 3.858 -14.548 -3.201 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.716 -14.917 -3.568 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.790 -14.386 -4.027 1.00 0.00 O ATOM 0 H GLU A 83 1.809 -14.079 1.216 1.00 0.00 H new ATOM 0 HA GLU A 83 4.398 -12.856 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.094 -13.918 -1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.933 -12.495 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.101 -13.796 -1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.173 -15.220 -1.164 1.00 0.00 H new ATOM 1268 N TYR A 84 3.389 -10.569 0.728 1.00 0.00 N ATOM 1269 CA TYR A 84 2.919 -9.203 0.923 1.00 0.00 C ATOM 1270 C TYR A 84 3.440 -8.333 -0.203 1.00 0.00 C ATOM 1271 O TYR A 84 4.641 -8.346 -0.473 1.00 0.00 O ATOM 1272 CB TYR A 84 3.464 -8.649 2.237 1.00 0.00 C ATOM 1273 CG TYR A 84 2.907 -9.338 3.466 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.511 -10.513 3.964 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.737 -8.841 4.071 1.00 0.00 C ATOM 1276 CE1 TYR A 84 2.965 -11.176 5.079 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.208 -9.480 5.209 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.825 -10.645 5.724 1.00 0.00 C ATOM 1279 OH TYR A 84 1.293 -11.291 6.799 1.00 0.00 O ATOM 0 H TYR A 84 4.406 -10.637 0.705 1.00 0.00 H new ATOM 0 HA TYR A 84 1.829 -9.203 0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.550 -8.744 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.237 -7.584 2.294 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.397 -10.905 3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.245 -7.970 3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.416 -12.088 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.328 -9.080 5.691 1.00 0.00 H new ATOM 0 HH TYR A 84 1.673 -12.192 6.860 1.00 0.00 H new ATOM 1289 N THR A 85 2.564 -7.579 -0.861 1.00 0.00 N ATOM 1290 CA THR A 85 2.978 -6.669 -1.930 1.00 0.00 C ATOM 1291 C THR A 85 2.186 -5.365 -1.815 1.00 0.00 C ATOM 1292 O THR A 85 1.003 -5.348 -1.479 1.00 0.00 O ATOM 1293 CB THR A 85 2.851 -7.280 -3.348 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.598 -7.045 -3.947 1.00 0.00 O ATOM 1295 CG2 THR A 85 3.027 -8.807 -3.397 1.00 0.00 C ATOM 0 H THR A 85 1.561 -7.579 -0.674 1.00 0.00 H new ATOM 0 HA THR A 85 4.042 -6.472 -1.798 1.00 0.00 H new ATOM 0 HB THR A 85 3.658 -6.777 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.580 -7.453 -4.838 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.923 -9.152 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.016 -9.071 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.266 -9.281 -2.777 1.00 0.00 H new ATOM 1303 N MET A 86 2.837 -4.246 -2.090 1.00 0.00 N ATOM 1304 CA MET A 86 2.261 -2.904 -2.087 1.00 0.00 C ATOM 1305 C MET A 86 2.766 -2.135 -3.307 1.00 0.00 C ATOM 1306 O MET A 86 3.901 -2.315 -3.750 1.00 0.00 O ATOM 1307 CB MET A 86 2.619 -2.212 -0.769 1.00 0.00 C ATOM 1308 CG MET A 86 2.166 -0.753 -0.704 1.00 0.00 C ATOM 1309 SD MET A 86 2.631 0.108 0.820 1.00 0.00 S ATOM 1310 CE MET A 86 4.338 0.562 0.397 1.00 0.00 C ATOM 0 H MET A 86 3.828 -4.245 -2.333 1.00 0.00 H new ATOM 0 HA MET A 86 1.174 -2.945 -2.155 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.166 -2.762 0.056 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.699 -2.256 -0.626 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.588 -0.216 -1.553 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.082 -0.717 -0.811 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.875 0.844 1.303 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.835 -0.288 -0.070 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.330 1.403 -0.296 1.00 0.00 H new ATOM 1320 N LEU A 87 1.896 -1.285 -3.840 1.00 0.00 N ATOM 1321 CA LEU A 87 2.120 -0.434 -5.007 1.00 0.00 C ATOM 1322 C LEU A 87 1.271 0.853 -4.897 1.00 0.00 C ATOM 1323 O LEU A 87 0.058 0.839 -5.107 1.00 0.00 O ATOM 1324 CB LEU A 87 1.727 -1.232 -6.264 1.00 0.00 C ATOM 1325 CG LEU A 87 2.108 -0.533 -7.570 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.531 -0.895 -7.967 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.172 -0.902 -8.718 1.00 0.00 C ATOM 0 H LEU A 87 0.962 -1.163 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 87 3.168 -0.141 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.208 -2.210 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.651 -1.405 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 87 2.024 0.538 -7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.788 -0.390 -8.898 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.219 -0.581 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.607 -1.973 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.483 -0.381 -9.623 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.211 -1.978 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.153 -0.611 -8.464 1.00 0.00 H new ATOM 1339 N CYS A 88 1.919 1.968 -4.585 1.00 0.00 N ATOM 1340 CA CYS A 88 1.334 3.298 -4.450 1.00 0.00 C ATOM 1341 C CYS A 88 2.304 4.350 -5.008 1.00 0.00 C ATOM 1342 O CYS A 88 3.510 4.299 -4.741 1.00 0.00 O ATOM 1343 CB CYS A 88 1.058 3.572 -2.969 1.00 0.00 C ATOM 1344 SG CYS A 88 0.479 5.285 -2.714 1.00 0.00 S ATOM 0 H CYS A 88 2.924 1.970 -4.409 1.00 0.00 H new ATOM 0 HA CYS A 88 0.400 3.350 -5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.308 2.873 -2.600 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.965 3.401 -2.389 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.406 5.583 -3.618 1.00 0.00 H new ATOM 1349 N LEU A 89 1.774 5.316 -5.764 1.00 0.00 N ATOM 1350 CA LEU A 89 2.535 6.435 -6.323 1.00 0.00 C ATOM 1351 C LEU A 89 3.195 7.284 -5.222 1.00 0.00 C ATOM 1352 O LEU A 89 4.313 7.767 -5.418 1.00 0.00 O ATOM 1353 CB LEU A 89 1.588 7.266 -7.215 1.00 0.00 C ATOM 1354 CG LEU A 89 2.132 8.624 -7.694 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.350 8.493 -8.589 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.102 9.399 -8.515 1.00 0.00 C ATOM 0 H LEU A 89 0.784 5.342 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 89 3.357 6.055 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.330 6.671 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.663 7.441 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 89 2.386 9.146 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.686 9.484 -8.893 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.149 7.990 -8.044 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.091 7.910 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.530 10.350 -8.831 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.824 8.816 -9.393 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.217 9.584 -7.907 1.00 0.00 H new ATOM 1368 N LEU A 90 2.537 7.425 -4.068 1.00 0.00 N ATOM 1369 CA LEU A 90 3.022 8.177 -2.918 1.00 0.00 C ATOM 1370 C LEU A 90 3.722 7.264 -1.913 1.00 0.00 C ATOM 1371 O LEU A 90 4.908 7.451 -1.642 1.00 0.00 O ATOM 1372 CB LEU A 90 1.823 8.867 -2.241 1.00 0.00 C ATOM 1373 CG LEU A 90 2.147 9.479 -0.863 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.256 10.519 -0.950 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.907 10.127 -0.257 1.00 0.00 C ATOM 0 H LEU A 90 1.622 7.003 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 90 3.747 8.916 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.451 9.653 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.018 8.142 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 90 2.486 8.661 -0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.453 10.925 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.162 10.053 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.948 11.324 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.157 10.553 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.549 10.917 -0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.127 9.376 -0.134 1.00 0.00 H new ATOM 1387 N CYS A 91 2.987 6.331 -1.327 1.00 0.00 N ATOM 1388 CA CYS A 91 3.459 5.477 -0.255 1.00 0.00 C ATOM 1389 C CYS A 91 4.590 4.539 -0.677 1.00 0.00 C ATOM 1390 O CYS A 91 5.522 4.331 0.105 1.00 0.00 O ATOM 1391 CB CYS A 91 2.270 4.724 0.339 1.00 0.00 C ATOM 1392 SG CYS A 91 1.053 5.896 0.999 1.00 0.00 S ATOM 0 H CYS A 91 2.020 6.144 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 91 3.905 6.110 0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.807 4.100 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.611 4.058 1.131 1.00 0.00 H new ATOM 0 HG CYS A 91 0.047 5.242 1.499 1.00 0.00 H new ATOM 1397 N GLY A 92 4.540 4.014 -1.904 1.00 0.00 N ATOM 1398 CA GLY A 92 5.626 3.228 -2.479 1.00 0.00 C ATOM 1399 C GLY A 92 5.291 1.861 -3.064 1.00 0.00 C ATOM 1400 O GLY A 92 4.178 1.352 -2.944 1.00 0.00 O ATOM 0 H GLY A 92 3.740 4.125 -2.527 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.088 3.824 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.380 3.084 -1.705 1.00 0.00 H new ATOM 1404 N LYS A 93 6.314 1.241 -3.663 1.00 0.00 N ATOM 1405 CA LYS A 93 6.283 -0.123 -4.198 1.00 0.00 C ATOM 1406 C LYS A 93 7.211 -1.019 -3.383 1.00 0.00 C ATOM 1407 O LYS A 93 8.422 -0.800 -3.346 1.00 0.00 O ATOM 1408 CB LYS A 93 6.635 -0.120 -5.686 1.00 0.00 C ATOM 1409 CG LYS A 93 6.844 -1.546 -6.238 1.00 0.00 C ATOM 1410 CD LYS A 93 7.153 -1.577 -7.744 1.00 0.00 C ATOM 1411 CE LYS A 93 8.519 -0.962 -8.077 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.799 -1.019 -9.537 1.00 0.00 N ATOM 0 H LYS A 93 7.219 1.693 -3.793 1.00 0.00 H new ATOM 0 HA LYS A 93 5.275 -0.528 -4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.839 0.371 -6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.542 0.465 -5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.662 -2.021 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.949 -2.137 -6.046 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.127 -2.608 -8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.374 -1.037 -8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.545 0.074 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.301 -1.493 -7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.729 -0.596 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.798 -2.010 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.066 -0.491 -10.052 1.00 0.00 H new ATOM 1426 N ALA A 94 6.638 -2.018 -2.725 1.00 0.00 N ATOM 1427 CA ALA A 94 7.355 -2.951 -1.864 1.00 0.00 C ATOM 1428 C ALA A 94 6.815 -4.392 -1.927 1.00 0.00 C ATOM 1429 O ALA A 94 5.662 -4.615 -2.293 1.00 0.00 O ATOM 1430 CB ALA A 94 7.307 -2.392 -0.441 1.00 0.00 C ATOM 0 H ALA A 94 5.637 -2.207 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 94 8.383 -3.033 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.835 -3.066 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.782 -1.411 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.269 -2.299 -0.121 1.00 0.00 H new ATOM 1436 N GLU A 95 7.647 -5.374 -1.569 1.00 0.00 N ATOM 1437 CA GLU A 95 7.277 -6.794 -1.520 1.00 0.00 C ATOM 1438 C GLU A 95 8.082 -7.551 -0.448 1.00 0.00 C ATOM 1439 O GLU A 95 9.287 -7.336 -0.293 1.00 0.00 O ATOM 1440 CB GLU A 95 7.496 -7.403 -2.914 1.00 0.00 C ATOM 1441 CG GLU A 95 7.233 -8.910 -3.020 1.00 0.00 C ATOM 1442 CD GLU A 95 7.452 -9.391 -4.467 1.00 0.00 C ATOM 1443 OE1 GLU A 95 8.596 -9.769 -4.819 1.00 0.00 O ATOM 1444 OE2 GLU A 95 6.485 -9.390 -5.269 1.00 0.00 O ATOM 0 H GLU A 95 8.616 -5.202 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 95 6.227 -6.885 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.849 -6.887 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.524 -7.208 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.897 -9.450 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.213 -9.131 -2.707 1.00 0.00 H new ATOM 1451 N ASP A 96 7.413 -8.445 0.283 1.00 0.00 N ATOM 1452 CA ASP A 96 7.975 -9.308 1.325 1.00 0.00 C ATOM 1453 C ASP A 96 7.350 -10.710 1.302 1.00 0.00 C ATOM 1454 O ASP A 96 6.185 -10.863 0.932 1.00 0.00 O ATOM 1455 CB ASP A 96 7.733 -8.682 2.708 1.00 0.00 C ATOM 1456 CG ASP A 96 8.644 -9.311 3.771 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.884 -9.292 3.582 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.128 -9.813 4.795 1.00 0.00 O ATOM 0 H ASP A 96 6.412 -8.595 0.158 1.00 0.00 H new ATOM 0 HA ASP A 96 9.043 -9.402 1.130 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.914 -7.608 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.690 -8.817 2.994 1.00 0.00 H new ATOM 1463 N THR A 97 8.084 -11.731 1.752 1.00 0.00 N ATOM 1464 CA THR A 97 7.553 -13.097 1.895 1.00 0.00 C ATOM 1465 C THR A 97 7.992 -13.707 3.232 1.00 0.00 C ATOM 1466 O THR A 97 9.162 -13.596 3.607 1.00 0.00 O ATOM 1467 CB THR A 97 7.957 -14.026 0.735 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.022 -13.359 -0.511 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.957 -15.165 0.557 1.00 0.00 C ATOM 0 H THR A 97 9.062 -11.639 2.028 1.00 0.00 H new ATOM 0 HA THR A 97 6.467 -13.009 1.869 1.00 0.00 H new ATOM 0 HB THR A 97 8.944 -14.398 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.284 -13.995 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.273 -15.801 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.912 -15.756 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.971 -14.753 0.342 1.00 0.00 H new ATOM 1477 N ILE A 98 7.064 -14.343 3.960 1.00 0.00 N ATOM 1478 CA ILE A 98 7.293 -14.942 5.288 1.00 0.00 C ATOM 1479 C ILE A 98 6.955 -16.430 5.278 1.00 0.00 C ATOM 1480 O ILE A 98 5.837 -16.797 4.937 1.00 0.00 O ATOM 1481 CB ILE A 98 6.426 -14.257 6.375 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.379 -12.722 6.223 1.00 0.00 C ATOM 1483 CG2 ILE A 98 6.949 -14.656 7.762 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.644 -11.976 7.346 1.00 0.00 C ATOM 0 H ILE A 98 6.104 -14.460 3.634 1.00 0.00 H new ATOM 0 HA ILE A 98 8.348 -14.799 5.520 1.00 0.00 H new ATOM 0 HB ILE A 98 5.400 -14.603 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.401 -12.347 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.899 -12.481 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.343 -14.177 8.531 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.890 -15.738 7.875 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.986 -14.336 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.667 -10.905 7.147 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.609 -12.315 7.391 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.134 -12.178 8.298 1.00 0.00 H new ATOM 1496 N SER A 99 7.861 -17.293 5.725 1.00 0.00 N ATOM 1497 CA SER A 99 7.571 -18.725 5.890 1.00 0.00 C ATOM 1498 C SER A 99 6.877 -18.939 7.241 1.00 0.00 C ATOM 1499 O SER A 99 7.308 -18.395 8.262 1.00 0.00 O ATOM 1500 CB SER A 99 8.836 -19.572 5.728 1.00 0.00 C ATOM 1501 OG SER A 99 9.889 -19.121 6.568 1.00 0.00 O ATOM 0 H SER A 99 8.812 -17.029 5.983 1.00 0.00 H new ATOM 0 HA SER A 99 6.894 -19.058 5.104 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.608 -20.612 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.163 -19.541 4.689 1.00 0.00 H new ATOM 0 HG SER A 99 10.678 -19.688 6.437 1.00 0.00 H new