USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 54 SER OG : rot -73:sc= 0.282 USER MOD Set 1.2: A 55 ASN : amide:sc= 0.262 K(o=0.54,f=0) USER MOD Set 2.1: A 12 CYS SG : rot 180:sc= -0.0158 USER MOD Set 2.2: A 49 THR OG1 : rot 66:sc= 1.41 USER MOD Set 2.3: A 50 HIS : no HD1:sc= 1.29 K(o=2.7,f=-3.4!) USER MOD Set 3.1: A 26 GLN : amide:sc= -0.0227 K(o=-0.092,f=-0.9) USER MOD Set 3.2: A 30 MET CE :methyl -129:sc= -0.0698 (180deg=-0.821) USER MOD Set 4.1: A 10 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0) USER MOD Set 4.2: A 11 ASN : amide:sc= 0.986 K(o=2.2,f=-5.9!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 37:sc= 0.58 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -70:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.7) USER MOD Single : A 34 HIS : no HE2:sc= -0.751 K(o=-0.75,f=-3.6!) USER MOD Single : A 37 LYS NZ :NH3+ 151:sc= -1.56! (180deg=-2.83!) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.14 F(o=-0.84,f=-0.14) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0518) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 68:sc= 0.307 USER MOD Single : A 78 SER OG : rot -95:sc= 0.481 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 89 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.9!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 50:sc= 0.273 USER MOD Single : A 93 THR OG1 : rot -20:sc= 0.278 USER MOD Single : A 94 SER OG : rot 180:sc= -0.034 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 7 -0.720 -13.642 4.869 1.00 0.00 N ATOM 84 CA LYS A 7 -1.893 -12.813 4.507 1.00 0.00 C ATOM 85 C LYS A 7 -3.243 -13.502 4.827 1.00 0.00 C ATOM 86 O LYS A 7 -4.228 -13.338 4.092 1.00 0.00 O ATOM 87 CB LYS A 7 -1.761 -12.452 3.009 1.00 0.00 C ATOM 88 CG LYS A 7 -1.701 -13.674 2.059 1.00 0.00 C ATOM 89 CD LYS A 7 -1.277 -13.308 0.626 1.00 0.00 C ATOM 90 CE LYS A 7 0.107 -12.651 0.577 1.00 0.00 C ATOM 91 NZ LYS A 7 0.545 -12.396 -0.808 1.00 0.00 N ATOM 0 HA LYS A 7 -1.900 -11.908 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.606 -11.826 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.860 -11.854 2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.001 -14.406 2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.680 -14.152 2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.271 -14.208 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.013 -12.631 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.083 -11.711 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.832 -13.295 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.485 -11.951 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.593 -13.295 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.134 -11.761 -1.275 1.00 0.00 H new ATOM 105 N ILE A 8 -3.264 -14.243 5.945 1.00 0.00 N ATOM 106 CA ILE A 8 -4.425 -15.024 6.424 1.00 0.00 C ATOM 107 C ILE A 8 -5.727 -14.184 6.443 1.00 0.00 C ATOM 108 O ILE A 8 -6.774 -14.618 5.947 1.00 0.00 O ATOM 109 CB ILE A 8 -4.133 -15.563 7.879 1.00 0.00 C ATOM 110 CG1 ILE A 8 -2.815 -16.408 7.902 1.00 0.00 C ATOM 111 CG2 ILE A 8 -5.330 -16.365 8.455 1.00 0.00 C ATOM 112 CD1 ILE A 8 -2.385 -16.877 9.282 1.00 0.00 C ATOM 0 H ILE A 8 -2.454 -14.321 6.561 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.572 -15.852 5.731 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.994 -14.698 8.527 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.948 -17.280 7.262 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.011 -15.814 7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -5.084 -16.716 9.457 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.210 -15.723 8.501 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.538 -17.220 7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.464 -17.454 9.200 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.216 -16.012 9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -3.167 -17.502 9.714 1.00 0.00 H new ATOM 124 N PHE A 9 -5.631 -12.959 6.979 1.00 0.00 N ATOM 125 CA PHE A 9 -6.799 -12.091 7.205 1.00 0.00 C ATOM 126 C PHE A 9 -6.881 -10.952 6.168 1.00 0.00 C ATOM 127 O PHE A 9 -7.649 -10.012 6.362 1.00 0.00 O ATOM 128 CB PHE A 9 -6.752 -11.520 8.650 1.00 0.00 C ATOM 129 CG PHE A 9 -6.775 -12.582 9.742 1.00 0.00 C ATOM 130 CD1 PHE A 9 -7.937 -13.300 10.011 1.00 0.00 C ATOM 131 CD2 PHE A 9 -5.634 -12.871 10.488 1.00 0.00 C ATOM 132 CE1 PHE A 9 -7.955 -14.272 10.992 1.00 0.00 C ATOM 133 CE2 PHE A 9 -5.654 -13.844 11.465 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.815 -14.541 11.715 1.00 0.00 C ATOM 0 H PHE A 9 -4.746 -12.542 7.268 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.699 -12.694 7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.850 -10.919 8.762 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.600 -10.850 8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.834 -13.095 9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.721 -12.325 10.298 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.863 -14.821 11.192 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.761 -14.059 12.033 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.831 -15.302 12.481 1.00 0.00 H new ATOM 144 N LYS A 10 -6.132 -11.077 5.053 1.00 0.00 N ATOM 145 CA LYS A 10 -5.987 -10.009 4.026 1.00 0.00 C ATOM 146 C LYS A 10 -7.347 -9.448 3.526 1.00 0.00 C ATOM 147 O LYS A 10 -7.542 -8.228 3.470 1.00 0.00 O ATOM 148 CB LYS A 10 -5.141 -10.545 2.840 1.00 0.00 C ATOM 149 CG LYS A 10 -4.854 -9.521 1.719 1.00 0.00 C ATOM 150 CD LYS A 10 -3.855 -10.047 0.658 1.00 0.00 C ATOM 151 CE LYS A 10 -4.343 -11.318 -0.062 1.00 0.00 C ATOM 152 NZ LYS A 10 -5.569 -11.087 -0.860 1.00 0.00 N ATOM 0 H LYS A 10 -5.606 -11.923 4.833 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.476 -9.171 4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.190 -10.910 3.229 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.657 -11.401 2.405 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.791 -9.256 1.228 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.457 -8.608 2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.676 -9.266 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.900 -10.255 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.553 -11.686 -0.716 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.536 -12.097 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.622 -11.788 -1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.404 -11.180 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.543 -10.130 -1.267 1.00 0.00 H new ATOM 166 N ASN A 11 -8.281 -10.349 3.174 1.00 0.00 N ATOM 167 CA ASN A 11 -9.652 -9.967 2.728 1.00 0.00 C ATOM 168 C ASN A 11 -10.674 -10.090 3.878 1.00 0.00 C ATOM 169 O ASN A 11 -11.871 -9.834 3.685 1.00 0.00 O ATOM 170 CB ASN A 11 -10.080 -10.849 1.523 1.00 0.00 C ATOM 171 CG ASN A 11 -9.240 -10.595 0.265 1.00 0.00 C ATOM 172 OD1 ASN A 11 -8.177 -11.186 0.084 1.00 0.00 O ATOM 173 ND2 ASN A 11 -9.716 -9.723 -0.617 1.00 0.00 N ATOM 0 H ASN A 11 -8.119 -11.356 3.187 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.631 -8.922 2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.998 -11.900 1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.129 -10.660 1.297 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.196 -9.528 -1.473 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.601 -9.249 -0.438 1.00 0.00 H new ATOM 180 N CYS A 12 -10.188 -10.465 5.071 1.00 0.00 N ATOM 181 CA CYS A 12 -11.020 -10.700 6.255 1.00 0.00 C ATOM 182 C CYS A 12 -11.028 -9.459 7.180 1.00 0.00 C ATOM 183 O CYS A 12 -9.997 -9.090 7.772 1.00 0.00 O ATOM 184 CB CYS A 12 -10.496 -11.940 7.015 1.00 0.00 C ATOM 185 SG CYS A 12 -10.359 -13.432 5.997 1.00 0.00 S ATOM 0 H CYS A 12 -9.193 -10.615 5.240 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.046 -10.882 5.934 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.517 -11.708 7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -11.161 -12.146 7.854 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.911 -14.413 6.723 1.00 0.00 H new ATOM 191 N VAL A 13 -12.191 -8.794 7.248 1.00 0.00 N ATOM 192 CA VAL A 13 -12.477 -7.762 8.259 1.00 0.00 C ATOM 193 C VAL A 13 -13.185 -8.435 9.461 1.00 0.00 C ATOM 194 O VAL A 13 -14.164 -9.164 9.266 1.00 0.00 O ATOM 195 CB VAL A 13 -13.365 -6.605 7.670 1.00 0.00 C ATOM 196 CG1 VAL A 13 -13.564 -5.469 8.706 1.00 0.00 C ATOM 197 CG2 VAL A 13 -12.766 -6.054 6.350 1.00 0.00 C ATOM 0 H VAL A 13 -12.963 -8.957 6.602 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.540 -7.309 8.582 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.345 -7.025 7.442 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.182 -4.684 8.271 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.056 -5.868 9.593 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.594 -5.056 8.984 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.402 -5.256 5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.767 -5.662 6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.708 -6.856 5.614 1.00 0.00 H new ATOM 207 N ILE A 14 -12.670 -8.220 10.688 1.00 0.00 N ATOM 208 CA ILE A 14 -13.202 -8.850 11.925 1.00 0.00 C ATOM 209 C ILE A 14 -13.798 -7.780 12.881 1.00 0.00 C ATOM 210 O ILE A 14 -13.215 -6.721 13.078 1.00 0.00 O ATOM 211 CB ILE A 14 -12.087 -9.697 12.678 1.00 0.00 C ATOM 212 CG1 ILE A 14 -11.745 -11.048 11.938 1.00 0.00 C ATOM 213 CG2 ILE A 14 -12.452 -9.973 14.159 1.00 0.00 C ATOM 214 CD1 ILE A 14 -10.911 -10.918 10.673 1.00 0.00 C ATOM 0 H ILE A 14 -11.873 -7.605 10.855 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.997 -9.532 11.623 1.00 0.00 H new ATOM 0 HB ILE A 14 -11.193 -9.074 12.662 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.215 -11.698 12.635 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.680 -11.548 11.684 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.658 -10.555 14.627 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -12.569 -9.027 14.687 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -13.387 -10.532 14.205 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.737 -11.907 10.249 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.442 -10.301 9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.955 -10.453 10.914 1.00 0.00 H new ATOM 226 N TYR A 15 -14.979 -8.073 13.455 1.00 0.00 N ATOM 227 CA TYR A 15 -15.590 -7.281 14.533 1.00 0.00 C ATOM 228 C TYR A 15 -15.720 -8.169 15.770 1.00 0.00 C ATOM 229 O TYR A 15 -16.523 -9.102 15.782 1.00 0.00 O ATOM 230 CB TYR A 15 -16.986 -6.740 14.117 1.00 0.00 C ATOM 231 CG TYR A 15 -17.768 -6.049 15.254 1.00 0.00 C ATOM 232 CD1 TYR A 15 -17.280 -4.891 15.861 1.00 0.00 C ATOM 233 CD2 TYR A 15 -18.980 -6.568 15.735 1.00 0.00 C ATOM 234 CE1 TYR A 15 -17.963 -4.278 16.893 1.00 0.00 C ATOM 235 CE2 TYR A 15 -19.662 -5.954 16.769 1.00 0.00 C ATOM 236 CZ TYR A 15 -19.149 -4.810 17.346 1.00 0.00 C ATOM 237 OH TYR A 15 -19.826 -4.200 18.381 1.00 0.00 O ATOM 0 H TYR A 15 -15.542 -8.878 13.178 1.00 0.00 H new ATOM 0 HA TYR A 15 -14.956 -6.420 14.746 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -16.858 -6.032 13.298 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -17.583 -7.567 13.733 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -16.349 -4.465 15.517 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -19.387 -7.463 15.289 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -17.566 -3.381 17.345 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -20.594 -6.368 17.124 1.00 0.00 H new ATOM 0 HH TYR A 15 -19.741 -3.227 18.299 1.00 0.00 H new ATOM 247 N ILE A 16 -14.934 -7.871 16.800 1.00 0.00 N ATOM 248 CA ILE A 16 -15.026 -8.552 18.094 1.00 0.00 C ATOM 249 C ILE A 16 -16.243 -7.999 18.861 1.00 0.00 C ATOM 250 O ILE A 16 -16.451 -6.782 18.913 1.00 0.00 O ATOM 251 CB ILE A 16 -13.705 -8.358 18.917 1.00 0.00 C ATOM 252 CG1 ILE A 16 -12.488 -8.952 18.134 1.00 0.00 C ATOM 253 CG2 ILE A 16 -13.819 -8.973 20.332 1.00 0.00 C ATOM 254 CD1 ILE A 16 -11.145 -8.781 18.821 1.00 0.00 C ATOM 0 H ILE A 16 -14.213 -7.150 16.764 1.00 0.00 H new ATOM 0 HA ILE A 16 -15.156 -9.623 17.937 1.00 0.00 H new ATOM 0 HB ILE A 16 -13.541 -7.288 19.048 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.664 -10.015 17.970 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -12.441 -8.481 17.152 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.885 -8.819 20.872 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -14.634 -8.493 20.873 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.018 -10.041 20.249 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.362 -9.223 18.205 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.941 -7.720 18.961 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.167 -9.277 19.791 1.00 0.00 H new ATOM 266 N ASN A 17 -17.034 -8.908 19.439 1.00 0.00 N ATOM 267 CA ASN A 17 -18.307 -8.593 20.091 1.00 0.00 C ATOM 268 C ASN A 17 -18.403 -9.419 21.384 1.00 0.00 C ATOM 269 O ASN A 17 -18.335 -10.652 21.345 1.00 0.00 O ATOM 270 CB ASN A 17 -19.485 -8.918 19.127 1.00 0.00 C ATOM 271 CG ASN A 17 -20.861 -8.495 19.652 1.00 0.00 C ATOM 272 OD1 ASN A 17 -20.983 -7.531 20.411 1.00 0.00 O ATOM 273 ND2 ASN A 17 -21.906 -9.202 19.235 1.00 0.00 N ATOM 0 H ASN A 17 -16.803 -9.901 19.467 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.362 -7.533 20.338 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.305 -8.424 18.172 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -19.496 -9.991 18.934 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.846 -8.953 19.543 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -21.768 -9.994 18.607 1.00 0.00 H new ATOM 280 N GLY A 18 -18.560 -8.726 22.526 1.00 0.00 N ATOM 281 CA GLY A 18 -18.559 -9.379 23.842 1.00 0.00 C ATOM 282 C GLY A 18 -17.157 -9.782 24.299 1.00 0.00 C ATOM 283 O GLY A 18 -16.156 -9.471 23.629 1.00 0.00 O ATOM 0 H GLY A 18 -18.689 -7.715 22.561 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.997 -8.705 24.578 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -19.193 -10.265 23.804 1.00 0.00 H new ATOM 287 N TYR A 19 -17.088 -10.497 25.433 1.00 0.00 N ATOM 288 CA TYR A 19 -15.818 -10.918 26.044 1.00 0.00 C ATOM 289 C TYR A 19 -15.274 -12.160 25.318 1.00 0.00 C ATOM 290 O TYR A 19 -15.851 -13.247 25.415 1.00 0.00 O ATOM 291 CB TYR A 19 -16.028 -11.226 27.548 1.00 0.00 C ATOM 292 CG TYR A 19 -16.682 -10.087 28.348 1.00 0.00 C ATOM 293 CD1 TYR A 19 -15.947 -8.962 28.747 1.00 0.00 C ATOM 294 CD2 TYR A 19 -18.033 -10.137 28.712 1.00 0.00 C ATOM 295 CE1 TYR A 19 -16.538 -7.939 29.472 1.00 0.00 C ATOM 296 CE2 TYR A 19 -18.621 -9.116 29.438 1.00 0.00 C ATOM 297 CZ TYR A 19 -17.872 -8.024 29.817 1.00 0.00 C ATOM 298 OH TYR A 19 -18.461 -7.013 30.550 1.00 0.00 O ATOM 0 H TYR A 19 -17.912 -10.800 25.952 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.093 -10.109 25.951 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -16.646 -12.119 27.640 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.062 -11.460 27.996 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.902 -8.891 28.485 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.628 -10.990 28.420 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.956 -7.078 29.766 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.665 -9.175 29.707 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.404 -7.229 30.706 1.00 0.00 H new ATOM 308 N THR A 20 -14.170 -11.978 24.591 1.00 0.00 N ATOM 309 CA THR A 20 -13.492 -13.044 23.843 1.00 0.00 C ATOM 310 C THR A 20 -12.058 -13.152 24.361 1.00 0.00 C ATOM 311 O THR A 20 -11.413 -12.116 24.603 1.00 0.00 O ATOM 312 CB THR A 20 -13.472 -12.737 22.303 1.00 0.00 C ATOM 313 OG1 THR A 20 -12.730 -11.527 22.044 1.00 0.00 O ATOM 314 CG2 THR A 20 -14.890 -12.592 21.723 1.00 0.00 C ATOM 0 H THR A 20 -13.712 -11.071 24.503 1.00 0.00 H new ATOM 0 HA THR A 20 -14.030 -13.981 23.989 1.00 0.00 H new ATOM 0 HB THR A 20 -12.990 -13.584 21.816 1.00 0.00 H new ATOM 0 HG1 THR A 20 -13.235 -10.756 22.376 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.827 -12.380 20.656 1.00 0.00 H new ATOM 0 HG22 THR A 20 -15.443 -13.519 21.877 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.407 -11.774 22.225 1.00 0.00 H new ATOM 322 N LYS A 21 -11.556 -14.384 24.571 1.00 0.00 N ATOM 323 CA LYS A 21 -10.155 -14.603 24.992 1.00 0.00 C ATOM 324 C LYS A 21 -9.299 -15.100 23.804 1.00 0.00 C ATOM 325 O LYS A 21 -9.742 -15.974 23.049 1.00 0.00 O ATOM 326 CB LYS A 21 -10.057 -15.577 26.186 1.00 0.00 C ATOM 327 CG LYS A 21 -10.769 -15.124 27.498 1.00 0.00 C ATOM 328 CD LYS A 21 -10.048 -13.977 28.278 1.00 0.00 C ATOM 329 CE LYS A 21 -10.308 -12.555 27.731 1.00 0.00 C ATOM 330 NZ LYS A 21 -9.610 -11.524 28.529 1.00 0.00 N ATOM 0 H LYS A 21 -12.096 -15.242 24.457 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.761 -13.643 25.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.475 -16.537 25.882 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.003 -15.744 26.407 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.779 -14.796 27.251 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.866 -15.986 28.157 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.363 -14.013 29.321 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.975 -14.166 28.263 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.977 -12.498 26.694 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.379 -12.354 27.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.809 -10.584 28.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.944 -11.561 29.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.585 -11.701 28.505 1.00 0.00 H new ATOM 344 N PRO A 22 -8.054 -14.546 23.600 1.00 0.00 N ATOM 345 CA PRO A 22 -7.461 -13.462 24.437 1.00 0.00 C ATOM 346 C PRO A 22 -8.111 -12.081 24.151 1.00 0.00 C ATOM 347 O PRO A 22 -8.934 -11.967 23.233 1.00 0.00 O ATOM 348 CB PRO A 22 -5.971 -13.505 24.037 1.00 0.00 C ATOM 349 CG PRO A 22 -5.997 -13.926 22.602 1.00 0.00 C ATOM 350 CD PRO A 22 -7.120 -14.945 22.512 1.00 0.00 C ATOM 0 HA PRO A 22 -7.620 -13.606 25.506 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.496 -12.532 24.159 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.413 -14.212 24.651 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.181 -13.076 21.945 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.044 -14.361 22.301 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.607 -14.918 21.537 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -6.750 -15.960 22.655 1.00 0.00 H new ATOM 358 N GLY A 23 -7.730 -11.061 24.953 1.00 0.00 N ATOM 359 CA GLY A 23 -8.381 -9.737 24.946 1.00 0.00 C ATOM 360 C GLY A 23 -8.506 -9.092 23.564 1.00 0.00 C ATOM 361 O GLY A 23 -7.711 -9.402 22.664 1.00 0.00 O ATOM 0 H GLY A 23 -6.963 -11.135 25.621 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.377 -9.835 25.377 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.817 -9.067 25.595 1.00 0.00 H new ATOM 365 N ARG A 24 -9.494 -8.174 23.419 1.00 0.00 N ATOM 366 CA ARG A 24 -9.838 -7.538 22.126 1.00 0.00 C ATOM 367 C ARG A 24 -8.611 -6.882 21.477 1.00 0.00 C ATOM 368 O ARG A 24 -8.431 -6.978 20.268 1.00 0.00 O ATOM 369 CB ARG A 24 -10.990 -6.501 22.300 1.00 0.00 C ATOM 370 CG ARG A 24 -10.627 -5.260 23.150 1.00 0.00 C ATOM 371 CD ARG A 24 -11.723 -4.183 23.171 1.00 0.00 C ATOM 372 NE ARG A 24 -11.253 -2.952 23.839 1.00 0.00 N ATOM 373 CZ ARG A 24 -11.590 -1.698 23.505 1.00 0.00 C ATOM 374 NH1 ARG A 24 -12.455 -1.453 22.523 1.00 0.00 N ATOM 375 NH2 ARG A 24 -11.054 -0.689 24.169 1.00 0.00 N ATOM 0 H ARG A 24 -10.073 -7.855 24.196 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.186 -8.326 21.458 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.310 -6.166 21.313 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.843 -7.001 22.759 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.423 -5.578 24.172 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.707 -4.822 22.763 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.028 -3.952 22.150 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.603 -4.566 23.688 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.614 -3.066 24.626 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.875 -2.227 22.009 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.698 -0.491 22.285 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.393 -0.869 24.925 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.301 0.270 23.926 1.00 0.00 H new ATOM 389 N LEU A 25 -7.758 -6.265 22.313 1.00 0.00 N ATOM 390 CA LEU A 25 -6.536 -5.583 21.861 1.00 0.00 C ATOM 391 C LEU A 25 -5.575 -6.563 21.151 1.00 0.00 C ATOM 392 O LEU A 25 -5.111 -6.278 20.049 1.00 0.00 O ATOM 393 CB LEU A 25 -5.871 -4.805 23.051 1.00 0.00 C ATOM 394 CG LEU A 25 -5.743 -5.537 24.448 1.00 0.00 C ATOM 395 CD1 LEU A 25 -4.548 -6.517 24.525 1.00 0.00 C ATOM 396 CD2 LEU A 25 -5.687 -4.519 25.614 1.00 0.00 C ATOM 0 H LEU A 25 -7.898 -6.226 23.323 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.802 -4.838 21.111 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.870 -4.510 22.737 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.439 -3.888 23.207 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.645 -6.140 24.548 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.522 -6.982 25.510 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.660 -7.288 23.762 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.619 -5.972 24.357 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.599 -5.054 26.560 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.824 -3.865 25.485 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.598 -3.921 25.619 1.00 0.00 H new ATOM 408 N GLN A 26 -5.384 -7.753 21.750 1.00 0.00 N ATOM 409 CA GLN A 26 -4.421 -8.762 21.263 1.00 0.00 C ATOM 410 C GLN A 26 -4.897 -9.369 19.931 1.00 0.00 C ATOM 411 O GLN A 26 -4.142 -9.404 18.956 1.00 0.00 O ATOM 412 CB GLN A 26 -4.213 -9.871 22.334 1.00 0.00 C ATOM 413 CG GLN A 26 -3.177 -10.958 21.964 1.00 0.00 C ATOM 414 CD GLN A 26 -1.773 -10.403 21.667 1.00 0.00 C ATOM 415 OE1 GLN A 26 -1.441 -10.092 20.522 1.00 0.00 O ATOM 416 NE2 GLN A 26 -0.944 -10.268 22.692 1.00 0.00 N ATOM 0 H GLN A 26 -5.892 -8.043 22.585 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.464 -8.271 21.086 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.904 -9.399 23.267 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -5.171 -10.355 22.524 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.108 -11.675 22.782 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.534 -11.504 21.091 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.245 -10.533 23.630 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.005 -9.899 22.543 1.00 0.00 H new ATOM 425 N LEU A 27 -6.171 -9.818 19.903 1.00 0.00 N ATOM 426 CA LEU A 27 -6.802 -10.372 18.687 1.00 0.00 C ATOM 427 C LEU A 27 -6.742 -9.370 17.513 1.00 0.00 C ATOM 428 O LEU A 27 -6.277 -9.726 16.433 1.00 0.00 O ATOM 429 CB LEU A 27 -8.269 -10.781 18.960 1.00 0.00 C ATOM 430 CG LEU A 27 -8.487 -12.039 19.851 1.00 0.00 C ATOM 431 CD1 LEU A 27 -9.986 -12.244 20.174 1.00 0.00 C ATOM 432 CD2 LEU A 27 -7.887 -13.300 19.183 1.00 0.00 C ATOM 0 H LEU A 27 -6.786 -9.807 20.717 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.237 -11.261 18.407 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.776 -9.938 19.430 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.759 -10.953 18.002 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.964 -11.874 20.793 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.106 -13.130 20.797 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.366 -11.372 20.706 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.543 -12.375 19.247 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.052 -14.165 19.825 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.369 -13.466 18.220 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.817 -13.158 19.034 1.00 0.00 H new ATOM 444 N HIS A 28 -7.176 -8.108 17.769 1.00 0.00 N ATOM 445 CA HIS A 28 -7.207 -7.020 16.748 1.00 0.00 C ATOM 446 C HIS A 28 -5.817 -6.823 16.103 1.00 0.00 C ATOM 447 O HIS A 28 -5.701 -6.667 14.879 1.00 0.00 O ATOM 448 CB HIS A 28 -7.689 -5.677 17.374 1.00 0.00 C ATOM 449 CG HIS A 28 -9.170 -5.571 17.639 1.00 0.00 C ATOM 450 ND1 HIS A 28 -9.680 -4.960 18.763 1.00 0.00 N ATOM 451 CD2 HIS A 28 -10.243 -5.949 16.907 1.00 0.00 C ATOM 452 CE1 HIS A 28 -10.994 -4.967 18.713 1.00 0.00 C ATOM 453 NE2 HIS A 28 -11.369 -5.556 17.596 1.00 0.00 N ATOM 0 H HIS A 28 -7.514 -7.814 18.685 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.914 -7.321 15.975 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.159 -5.525 18.314 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.399 -4.863 16.709 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.221 -6.464 15.958 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.655 -4.558 19.463 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -12.332 -5.697 17.292 1.00 0.00 H new ATOM 462 N GLU A 29 -4.769 -6.867 16.947 1.00 0.00 N ATOM 463 CA GLU A 29 -3.373 -6.702 16.503 1.00 0.00 C ATOM 464 C GLU A 29 -2.921 -7.892 15.637 1.00 0.00 C ATOM 465 O GLU A 29 -2.334 -7.692 14.585 1.00 0.00 O ATOM 466 CB GLU A 29 -2.424 -6.513 17.718 1.00 0.00 C ATOM 467 CG GLU A 29 -2.654 -5.200 18.491 1.00 0.00 C ATOM 468 CD GLU A 29 -1.817 -5.090 19.779 1.00 0.00 C ATOM 469 OE1 GLU A 29 -2.146 -5.774 20.772 1.00 0.00 O ATOM 470 OE2 GLU A 29 -0.836 -4.303 19.811 1.00 0.00 O ATOM 0 H GLU A 29 -4.866 -7.017 17.951 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.323 -5.803 15.889 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.552 -7.353 18.401 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.392 -6.541 17.368 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.417 -4.358 17.840 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.711 -5.118 18.746 1.00 0.00 H new ATOM 477 N MET A 30 -3.244 -9.126 16.068 1.00 0.00 N ATOM 478 CA MET A 30 -2.844 -10.370 15.352 1.00 0.00 C ATOM 479 C MET A 30 -3.472 -10.444 13.950 1.00 0.00 C ATOM 480 O MET A 30 -2.867 -10.967 13.012 1.00 0.00 O ATOM 481 CB MET A 30 -3.208 -11.623 16.184 1.00 0.00 C ATOM 482 CG MET A 30 -2.444 -11.757 17.514 1.00 0.00 C ATOM 483 SD MET A 30 -0.642 -11.877 17.310 1.00 0.00 S ATOM 484 CE MET A 30 -0.087 -10.166 17.446 1.00 0.00 C ATOM 0 H MET A 30 -3.785 -9.297 16.915 1.00 0.00 H new ATOM 0 HA MET A 30 -1.762 -10.343 15.225 1.00 0.00 H new ATOM 0 HB2 MET A 30 -4.277 -11.604 16.395 1.00 0.00 H new ATOM 0 HB3 MET A 30 -3.018 -12.511 15.581 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.673 -10.897 18.143 1.00 0.00 H new ATOM 0 HG3 MET A 30 -2.801 -12.642 18.041 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.553 -9.923 16.598 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.952 -9.502 17.450 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.473 -10.038 18.372 1.00 0.00 H new ATOM 494 N ILE A 31 -4.690 -9.916 13.839 1.00 0.00 N ATOM 495 CA ILE A 31 -5.392 -9.761 12.553 1.00 0.00 C ATOM 496 C ILE A 31 -4.584 -8.849 11.606 1.00 0.00 C ATOM 497 O ILE A 31 -4.259 -9.241 10.486 1.00 0.00 O ATOM 498 CB ILE A 31 -6.841 -9.197 12.798 1.00 0.00 C ATOM 499 CG1 ILE A 31 -7.664 -10.198 13.677 1.00 0.00 C ATOM 500 CG2 ILE A 31 -7.587 -8.879 11.474 1.00 0.00 C ATOM 501 CD1 ILE A 31 -8.894 -9.598 14.329 1.00 0.00 C ATOM 0 H ILE A 31 -5.226 -9.580 14.639 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.484 -10.736 12.074 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.739 -8.252 13.331 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.971 -11.039 13.056 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.014 -10.597 14.455 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.581 -8.493 11.700 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.027 -8.132 10.911 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -7.677 -9.788 10.880 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -9.403 -10.361 14.918 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.596 -8.776 14.980 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -9.569 -9.225 13.559 1.00 0.00 H new ATOM 513 N VAL A 32 -4.192 -7.674 12.124 1.00 0.00 N ATOM 514 CA VAL A 32 -3.450 -6.649 11.357 1.00 0.00 C ATOM 515 C VAL A 32 -2.025 -7.121 10.966 1.00 0.00 C ATOM 516 O VAL A 32 -1.566 -6.878 9.841 1.00 0.00 O ATOM 517 CB VAL A 32 -3.392 -5.305 12.165 1.00 0.00 C ATOM 518 CG1 VAL A 32 -2.498 -4.255 11.468 1.00 0.00 C ATOM 519 CG2 VAL A 32 -4.817 -4.748 12.389 1.00 0.00 C ATOM 0 H VAL A 32 -4.379 -7.403 13.089 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.991 -6.481 10.426 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.943 -5.521 13.135 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.484 -3.339 12.059 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.484 -4.644 11.377 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.895 -4.041 10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.759 -3.816 12.951 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.291 -4.562 11.425 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.407 -5.473 12.949 1.00 0.00 H new ATOM 529 N LEU A 33 -1.352 -7.820 11.895 1.00 0.00 N ATOM 530 CA LEU A 33 0.005 -8.382 11.680 1.00 0.00 C ATOM 531 C LEU A 33 0.004 -9.441 10.559 1.00 0.00 C ATOM 532 O LEU A 33 1.038 -9.701 9.946 1.00 0.00 O ATOM 533 CB LEU A 33 0.585 -8.975 13.012 1.00 0.00 C ATOM 534 CG LEU A 33 1.454 -8.011 13.892 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.719 -7.557 13.130 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.648 -6.801 14.404 1.00 0.00 C ATOM 0 H LEU A 33 -1.730 -8.016 12.822 1.00 0.00 H new ATOM 0 HA LEU A 33 0.654 -7.566 11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.249 -9.330 13.618 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.191 -9.846 12.761 1.00 0.00 H new ATOM 0 HG LEU A 33 1.768 -8.575 14.770 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.304 -6.889 13.762 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.319 -8.429 12.869 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.427 -7.032 12.220 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.293 -6.163 15.008 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.267 -6.232 13.556 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.187 -7.151 15.011 1.00 0.00 H new ATOM 548 N HIS A 34 -1.170 -10.044 10.305 1.00 0.00 N ATOM 549 CA HIS A 34 -1.370 -11.044 9.237 1.00 0.00 C ATOM 550 C HIS A 34 -2.131 -10.433 8.041 1.00 0.00 C ATOM 551 O HIS A 34 -2.846 -11.132 7.307 1.00 0.00 O ATOM 552 CB HIS A 34 -2.058 -12.298 9.834 1.00 0.00 C ATOM 553 CG HIS A 34 -1.146 -13.037 10.785 1.00 0.00 C ATOM 554 ND1 HIS A 34 -0.790 -12.532 12.015 1.00 0.00 N ATOM 555 CD2 HIS A 34 -0.458 -14.195 10.650 1.00 0.00 C ATOM 556 CE1 HIS A 34 0.075 -13.336 12.590 1.00 0.00 C ATOM 557 NE2 HIS A 34 0.298 -14.356 11.785 1.00 0.00 N ATOM 0 H HIS A 34 -2.017 -9.850 10.840 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.407 -11.361 8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.966 -12.000 10.358 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.361 -12.966 9.027 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.144 -11.665 12.419 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.497 -14.868 9.806 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.527 -13.187 13.559 1.00 0.00 H new ATOM 566 N GLY A 35 -1.967 -9.102 7.883 1.00 0.00 N ATOM 567 CA GLY A 35 -2.424 -8.364 6.698 1.00 0.00 C ATOM 568 C GLY A 35 -3.903 -8.027 6.710 1.00 0.00 C ATOM 569 O GLY A 35 -4.454 -7.609 5.688 1.00 0.00 O ATOM 0 H GLY A 35 -1.512 -8.512 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.852 -7.439 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.204 -8.954 5.808 1.00 0.00 H new ATOM 573 N GLY A 36 -4.527 -8.167 7.879 1.00 0.00 N ATOM 574 CA GLY A 36 -5.975 -8.079 8.004 1.00 0.00 C ATOM 575 C GLY A 36 -6.473 -6.788 8.588 1.00 0.00 C ATOM 576 O GLY A 36 -5.682 -5.950 9.038 1.00 0.00 O ATOM 0 H GLY A 36 -4.043 -8.344 8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.421 -8.213 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.324 -8.903 8.626 1.00 0.00 H new ATOM 580 N LYS A 37 -7.802 -6.645 8.612 1.00 0.00 N ATOM 581 CA LYS A 37 -8.470 -5.431 9.095 1.00 0.00 C ATOM 582 C LYS A 37 -9.532 -5.802 10.133 1.00 0.00 C ATOM 583 O LYS A 37 -10.067 -6.913 10.119 1.00 0.00 O ATOM 584 CB LYS A 37 -9.087 -4.661 7.889 1.00 0.00 C ATOM 585 CG LYS A 37 -9.842 -3.354 8.249 1.00 0.00 C ATOM 586 CD LYS A 37 -10.081 -2.407 7.040 1.00 0.00 C ATOM 587 CE LYS A 37 -8.816 -1.620 6.608 1.00 0.00 C ATOM 588 NZ LYS A 37 -7.729 -2.485 6.074 1.00 0.00 N ATOM 0 H LYS A 37 -8.447 -7.369 8.296 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.747 -4.775 9.579 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.288 -4.418 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.776 -5.327 7.369 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.805 -3.613 8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.276 -2.818 9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.440 -2.994 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.870 -1.699 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.094 -0.890 5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.437 -1.061 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.165 -1.948 5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.117 -2.796 6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.145 -3.316 5.608 1.00 0.00 H new ATOM 602 N PHE A 38 -9.788 -4.875 11.061 1.00 0.00 N ATOM 603 CA PHE A 38 -10.901 -4.963 12.005 1.00 0.00 C ATOM 604 C PHE A 38 -11.809 -3.739 11.835 1.00 0.00 C ATOM 605 O PHE A 38 -11.397 -2.724 11.255 1.00 0.00 O ATOM 606 CB PHE A 38 -10.381 -5.112 13.462 1.00 0.00 C ATOM 607 CG PHE A 38 -9.496 -3.975 13.982 1.00 0.00 C ATOM 608 CD1 PHE A 38 -8.117 -3.995 13.794 1.00 0.00 C ATOM 609 CD2 PHE A 38 -10.040 -2.899 14.683 1.00 0.00 C ATOM 610 CE1 PHE A 38 -7.318 -2.983 14.288 1.00 0.00 C ATOM 611 CE2 PHE A 38 -9.242 -1.886 15.174 1.00 0.00 C ATOM 612 CZ PHE A 38 -7.879 -1.926 14.975 1.00 0.00 C ATOM 0 H PHE A 38 -9.221 -4.035 11.177 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.490 -5.855 11.793 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.241 -5.208 14.125 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.819 -6.043 13.532 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.665 -4.814 13.254 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.107 -2.858 14.845 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -6.249 -3.019 14.136 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.685 -1.062 15.714 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.252 -1.133 15.355 1.00 0.00 H new ATOM 622 N LEU A 39 -13.047 -3.840 12.328 1.00 0.00 N ATOM 623 CA LEU A 39 -14.046 -2.766 12.224 1.00 0.00 C ATOM 624 C LEU A 39 -14.423 -2.323 13.649 1.00 0.00 C ATOM 625 O LEU A 39 -14.738 -3.167 14.496 1.00 0.00 O ATOM 626 CB LEU A 39 -15.284 -3.239 11.385 1.00 0.00 C ATOM 627 CG LEU A 39 -15.855 -2.214 10.346 1.00 0.00 C ATOM 628 CD1 LEU A 39 -16.459 -0.967 11.024 1.00 0.00 C ATOM 629 CD2 LEU A 39 -14.774 -1.821 9.314 1.00 0.00 C ATOM 0 H LEU A 39 -13.388 -4.670 12.812 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.637 -1.908 11.691 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.008 -4.148 10.851 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.083 -3.506 12.076 1.00 0.00 H new ATOM 0 HG LEU A 39 -16.670 -2.710 9.819 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.841 -0.288 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -17.274 -1.269 11.682 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.690 -0.462 11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.192 -1.109 8.602 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.928 -1.366 9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.438 -2.711 8.782 1.00 0.00 H new ATOM 641 N HIS A 40 -14.421 -0.995 13.874 1.00 0.00 N ATOM 642 CA HIS A 40 -14.447 -0.382 15.220 1.00 0.00 C ATOM 643 C HIS A 40 -15.752 -0.692 15.975 1.00 0.00 C ATOM 644 O HIS A 40 -15.728 -0.986 17.179 1.00 0.00 O ATOM 645 CB HIS A 40 -14.231 1.160 15.108 1.00 0.00 C ATOM 646 CG HIS A 40 -15.380 1.950 14.499 1.00 0.00 C ATOM 647 ND1 HIS A 40 -15.987 1.868 13.282 1.00 0.00 N flip ATOM 648 CD2 HIS A 40 -16.040 2.956 15.176 1.00 0.00 C flip ATOM 649 CE1 HIS A 40 -16.980 2.817 13.263 1.00 0.00 C flip ATOM 650 NE2 HIS A 40 -16.990 3.458 14.413 1.00 0.00 N flip ATOM 0 H HIS A 40 -14.401 -0.309 13.120 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.633 -0.820 15.798 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.034 1.553 16.105 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.336 1.340 14.512 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.812 3.282 16.180 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -17.647 3.007 12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -17.625 4.214 14.670 1.00 0.00 H new ATOM 659 N TYR A 41 -16.870 -0.658 15.233 1.00 0.00 N ATOM 660 CA TYR A 41 -18.224 -0.835 15.776 1.00 0.00 C ATOM 661 C TYR A 41 -19.219 -0.792 14.612 1.00 0.00 C ATOM 662 O TYR A 41 -19.041 0.010 13.688 1.00 0.00 O ATOM 663 CB TYR A 41 -18.574 0.269 16.819 1.00 0.00 C ATOM 664 CG TYR A 41 -19.865 0.001 17.612 1.00 0.00 C ATOM 665 CD1 TYR A 41 -19.869 -0.903 18.679 1.00 0.00 C ATOM 666 CD2 TYR A 41 -21.072 0.633 17.296 1.00 0.00 C ATOM 667 CE1 TYR A 41 -21.021 -1.160 19.396 1.00 0.00 C ATOM 668 CE2 TYR A 41 -22.227 0.377 18.015 1.00 0.00 C ATOM 669 CZ TYR A 41 -22.196 -0.518 19.061 1.00 0.00 C ATOM 670 OH TYR A 41 -23.346 -0.775 19.780 1.00 0.00 O ATOM 0 H TYR A 41 -16.857 -0.505 14.225 1.00 0.00 H new ATOM 0 HA TYR A 41 -18.277 -1.794 16.291 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -17.745 0.367 17.519 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.670 1.224 16.302 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.954 -1.410 18.947 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -21.104 1.334 16.475 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -21.003 -1.862 20.217 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -23.149 0.877 17.757 1.00 0.00 H new ATOM 0 HH TYR A 41 -24.084 -0.242 19.418 1.00 0.00 H new ATOM 743 N LYS A 46 -23.162 -3.013 6.865 1.00 0.00 N ATOM 744 CA LYS A 46 -22.457 -4.281 6.615 1.00 0.00 C ATOM 745 C LYS A 46 -21.090 -3.997 5.957 1.00 0.00 C ATOM 746 O LYS A 46 -20.958 -4.007 4.725 1.00 0.00 O ATOM 747 CB LYS A 46 -23.336 -5.214 5.728 1.00 0.00 C ATOM 748 CG LYS A 46 -22.731 -6.616 5.465 1.00 0.00 C ATOM 749 CD LYS A 46 -23.606 -7.495 4.542 1.00 0.00 C ATOM 750 CE LYS A 46 -23.795 -6.897 3.136 1.00 0.00 C ATOM 751 NZ LYS A 46 -24.517 -7.828 2.232 1.00 0.00 N ATOM 0 HA LYS A 46 -22.277 -4.793 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -24.308 -5.337 6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -23.511 -4.723 4.771 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -21.744 -6.500 5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -22.591 -7.128 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -23.151 -8.481 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -24.583 -7.636 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -24.348 -5.961 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -22.821 -6.658 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -24.624 -7.389 1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -23.977 -8.712 2.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -25.457 -8.036 2.626 1.00 0.00 H new ATOM 765 N THR A 47 -20.091 -3.675 6.788 1.00 0.00 N ATOM 766 CA THR A 47 -18.706 -3.424 6.334 1.00 0.00 C ATOM 767 C THR A 47 -17.778 -4.580 6.757 1.00 0.00 C ATOM 768 O THR A 47 -16.772 -4.870 6.092 1.00 0.00 O ATOM 769 CB THR A 47 -18.176 -2.073 6.917 1.00 0.00 C ATOM 770 OG1 THR A 47 -19.155 -1.048 6.704 1.00 0.00 O ATOM 771 CG2 THR A 47 -16.847 -1.634 6.269 1.00 0.00 C ATOM 0 H THR A 47 -20.214 -3.580 7.796 1.00 0.00 H new ATOM 0 HA THR A 47 -18.711 -3.360 5.246 1.00 0.00 H new ATOM 0 HB THR A 47 -17.995 -2.227 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 47 -18.826 -0.200 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 47 -16.522 -0.691 6.708 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.088 -2.396 6.444 1.00 0.00 H new ATOM 0 HG23 THR A 47 -16.991 -1.504 5.196 1.00 0.00 H new ATOM 779 N VAL A 48 -18.136 -5.247 7.865 1.00 0.00 N ATOM 780 CA VAL A 48 -17.345 -6.362 8.410 1.00 0.00 C ATOM 781 C VAL A 48 -17.754 -7.695 7.742 1.00 0.00 C ATOM 782 O VAL A 48 -18.901 -7.854 7.309 1.00 0.00 O ATOM 783 CB VAL A 48 -17.488 -6.441 9.974 1.00 0.00 C ATOM 784 CG1 VAL A 48 -18.918 -6.807 10.418 1.00 0.00 C ATOM 785 CG2 VAL A 48 -16.465 -7.410 10.573 1.00 0.00 C ATOM 0 H VAL A 48 -18.974 -5.032 8.405 1.00 0.00 H new ATOM 0 HA VAL A 48 -16.294 -6.180 8.184 1.00 0.00 H new ATOM 0 HB VAL A 48 -17.283 -5.442 10.358 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -18.962 -6.848 11.506 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -19.616 -6.053 10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -19.189 -7.779 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.587 -7.445 11.656 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -16.621 -8.406 10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -15.458 -7.070 10.332 1.00 0.00 H new ATOM 795 N THR A 49 -16.796 -8.632 7.638 1.00 0.00 N ATOM 796 CA THR A 49 -17.007 -9.935 6.985 1.00 0.00 C ATOM 797 C THR A 49 -17.188 -11.066 8.030 1.00 0.00 C ATOM 798 O THR A 49 -17.846 -12.077 7.759 1.00 0.00 O ATOM 799 CB THR A 49 -15.803 -10.260 6.032 1.00 0.00 C ATOM 800 OG1 THR A 49 -14.591 -10.355 6.790 1.00 0.00 O ATOM 801 CG2 THR A 49 -15.621 -9.179 4.941 1.00 0.00 C ATOM 0 H THR A 49 -15.853 -8.507 8.005 1.00 0.00 H new ATOM 0 HA THR A 49 -17.922 -9.875 6.396 1.00 0.00 H new ATOM 0 HB THR A 49 -16.025 -11.209 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.643 -11.124 7.396 1.00 0.00 H new ATOM 0 HG21 THR A 49 -14.777 -9.444 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.526 -9.116 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 49 -15.431 -8.215 5.412 1.00 0.00 H new ATOM 809 N HIS A 50 -16.601 -10.874 9.234 1.00 0.00 N ATOM 810 CA HIS A 50 -16.585 -11.889 10.316 1.00 0.00 C ATOM 811 C HIS A 50 -16.871 -11.213 11.661 1.00 0.00 C ATOM 812 O HIS A 50 -16.207 -10.241 11.992 1.00 0.00 O ATOM 813 CB HIS A 50 -15.199 -12.592 10.394 1.00 0.00 C ATOM 814 CG HIS A 50 -14.770 -13.258 9.115 1.00 0.00 C ATOM 815 ND1 HIS A 50 -13.890 -12.682 8.227 1.00 0.00 N ATOM 816 CD2 HIS A 50 -15.128 -14.440 8.567 1.00 0.00 C ATOM 817 CE1 HIS A 50 -13.735 -13.477 7.188 1.00 0.00 C ATOM 818 NE2 HIS A 50 -14.476 -14.550 7.367 1.00 0.00 N ATOM 0 H HIS A 50 -16.123 -10.008 9.484 1.00 0.00 H new ATOM 0 HA HIS A 50 -17.351 -12.633 10.097 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -14.447 -11.856 10.677 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -15.228 -13.339 11.187 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.804 -15.165 8.996 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.105 -13.281 6.333 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -14.552 -15.334 6.719 1.00 0.00 H new ATOM 827 N ILE A 51 -17.841 -11.728 12.438 1.00 0.00 N ATOM 828 CA ILE A 51 -18.127 -11.213 13.798 1.00 0.00 C ATOM 829 C ILE A 51 -17.713 -12.263 14.838 1.00 0.00 C ATOM 830 O ILE A 51 -18.285 -13.336 14.912 1.00 0.00 O ATOM 831 CB ILE A 51 -19.640 -10.801 13.984 1.00 0.00 C ATOM 832 CG1 ILE A 51 -19.999 -9.621 13.016 1.00 0.00 C ATOM 833 CG2 ILE A 51 -19.957 -10.431 15.465 1.00 0.00 C ATOM 834 CD1 ILE A 51 -21.408 -9.060 13.166 1.00 0.00 C ATOM 0 H ILE A 51 -18.442 -12.500 12.151 1.00 0.00 H new ATOM 0 HA ILE A 51 -17.543 -10.304 13.942 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.260 -11.661 13.731 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.285 -8.813 13.175 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -19.870 -9.963 11.989 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -21.007 -10.153 15.554 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -19.753 -11.289 16.106 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.332 -9.592 15.772 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -21.555 -8.250 12.452 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -22.136 -9.848 12.975 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -21.542 -8.680 14.179 1.00 0.00 H new ATOM 846 N VAL A 52 -16.712 -11.926 15.645 1.00 0.00 N ATOM 847 CA VAL A 52 -16.175 -12.804 16.690 1.00 0.00 C ATOM 848 C VAL A 52 -16.940 -12.587 17.997 1.00 0.00 C ATOM 849 O VAL A 52 -17.217 -11.454 18.371 1.00 0.00 O ATOM 850 CB VAL A 52 -14.647 -12.512 16.885 1.00 0.00 C ATOM 851 CG1 VAL A 52 -14.038 -13.264 18.091 1.00 0.00 C ATOM 852 CG2 VAL A 52 -13.884 -12.835 15.588 1.00 0.00 C ATOM 0 H VAL A 52 -16.241 -11.023 15.594 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.297 -13.845 16.391 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.545 -11.450 17.110 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.979 -13.021 18.174 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.552 -12.964 19.004 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.154 -14.338 17.946 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.823 -12.630 15.730 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.020 -13.887 15.338 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -14.268 -12.217 14.776 1.00 0.00 H new ATOM 862 N ALA A 53 -17.288 -13.690 18.670 1.00 0.00 N ATOM 863 CA ALA A 53 -18.015 -13.668 19.949 1.00 0.00 C ATOM 864 C ALA A 53 -17.677 -14.918 20.776 1.00 0.00 C ATOM 865 O ALA A 53 -17.011 -15.835 20.281 1.00 0.00 O ATOM 866 CB ALA A 53 -19.530 -13.567 19.693 1.00 0.00 C ATOM 0 H ALA A 53 -17.072 -14.631 18.341 1.00 0.00 H new ATOM 0 HA ALA A 53 -17.705 -12.792 20.520 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -20.060 -13.551 20.646 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -19.746 -12.651 19.143 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -19.858 -14.427 19.109 1.00 0.00 H new ATOM 872 N SER A 54 -18.118 -14.931 22.045 1.00 0.00 N ATOM 873 CA SER A 54 -18.032 -16.126 22.899 1.00 0.00 C ATOM 874 C SER A 54 -19.275 -17.000 22.674 1.00 0.00 C ATOM 875 O SER A 54 -19.168 -18.187 22.356 1.00 0.00 O ATOM 876 CB SER A 54 -17.923 -15.709 24.387 1.00 0.00 C ATOM 877 OG SER A 54 -17.895 -16.834 25.259 1.00 0.00 O ATOM 0 H SER A 54 -18.539 -14.123 22.503 1.00 0.00 H new ATOM 0 HA SER A 54 -17.142 -16.698 22.638 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.020 -15.117 24.532 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.768 -15.071 24.647 1.00 0.00 H new ATOM 0 HG SER A 54 -18.788 -17.234 25.305 1.00 0.00 H new ATOM 883 N ASN A 55 -20.459 -16.372 22.795 1.00 0.00 N ATOM 884 CA ASN A 55 -21.771 -17.040 22.633 1.00 0.00 C ATOM 885 C ASN A 55 -22.737 -16.042 21.983 1.00 0.00 C ATOM 886 O ASN A 55 -23.214 -15.114 22.651 1.00 0.00 O ATOM 887 CB ASN A 55 -22.356 -17.519 24.001 1.00 0.00 C ATOM 888 CG ASN A 55 -21.510 -18.585 24.707 1.00 0.00 C ATOM 889 OD1 ASN A 55 -20.619 -18.270 25.496 1.00 0.00 O ATOM 890 ND2 ASN A 55 -21.777 -19.854 24.421 1.00 0.00 N ATOM 0 H ASN A 55 -20.537 -15.378 23.010 1.00 0.00 H new ATOM 0 HA ASN A 55 -21.639 -17.924 22.010 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -22.460 -16.658 24.661 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -23.357 -17.916 23.836 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.237 -20.600 24.860 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.522 -20.083 23.763 1.00 0.00 H new ATOM 897 N LEU A 56 -22.996 -16.210 20.677 1.00 0.00 N ATOM 898 CA LEU A 56 -23.909 -15.329 19.923 1.00 0.00 C ATOM 899 C LEU A 56 -25.346 -15.910 20.032 1.00 0.00 C ATOM 900 O LEU A 56 -25.580 -17.023 19.549 1.00 0.00 O ATOM 901 CB LEU A 56 -23.427 -15.197 18.430 1.00 0.00 C ATOM 902 CG LEU A 56 -23.721 -13.837 17.697 1.00 0.00 C ATOM 903 CD1 LEU A 56 -25.217 -13.530 17.597 1.00 0.00 C ATOM 904 CD2 LEU A 56 -22.953 -12.667 18.353 1.00 0.00 C ATOM 0 H LEU A 56 -22.583 -16.954 20.115 1.00 0.00 H new ATOM 0 HA LEU A 56 -23.909 -14.322 20.340 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.351 -15.368 18.406 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.890 -15.998 17.854 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.358 -13.952 16.676 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.360 -12.580 17.082 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -25.715 -14.323 17.039 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.643 -13.468 18.598 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.178 -11.742 17.823 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -23.257 -12.571 19.395 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -21.882 -12.862 18.304 1.00 0.00 H new ATOM 916 N PRO A 57 -26.313 -15.181 20.703 1.00 0.00 N ATOM 917 CA PRO A 57 -27.730 -15.627 20.838 1.00 0.00 C ATOM 918 C PRO A 57 -28.415 -15.885 19.476 1.00 0.00 C ATOM 919 O PRO A 57 -28.177 -15.140 18.519 1.00 0.00 O ATOM 920 CB PRO A 57 -28.411 -14.458 21.602 1.00 0.00 C ATOM 921 CG PRO A 57 -27.289 -13.798 22.339 1.00 0.00 C ATOM 922 CD PRO A 57 -26.096 -13.892 21.417 1.00 0.00 C ATOM 0 HA PRO A 57 -27.804 -16.583 21.356 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -28.899 -13.765 20.917 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -29.177 -14.822 22.286 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -27.527 -12.760 22.570 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -27.093 -14.298 23.287 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -26.056 -13.051 20.725 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.158 -13.893 21.972 1.00 0.00 H new ATOM 930 N LEU A 58 -29.283 -16.919 19.432 1.00 0.00 N ATOM 931 CA LEU A 58 -29.894 -17.444 18.188 1.00 0.00 C ATOM 932 C LEU A 58 -30.643 -16.352 17.393 1.00 0.00 C ATOM 933 O LEU A 58 -30.536 -16.285 16.160 1.00 0.00 O ATOM 934 CB LEU A 58 -30.851 -18.618 18.528 1.00 0.00 C ATOM 935 CG LEU A 58 -30.222 -19.816 19.321 1.00 0.00 C ATOM 936 CD1 LEU A 58 -31.266 -20.912 19.607 1.00 0.00 C ATOM 937 CD2 LEU A 58 -28.988 -20.402 18.601 1.00 0.00 C ATOM 0 H LEU A 58 -29.584 -17.420 20.268 1.00 0.00 H new ATOM 0 HA LEU A 58 -29.086 -17.802 17.550 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -31.685 -18.223 19.108 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -31.265 -19.003 17.596 1.00 0.00 H new ATOM 0 HG LEU A 58 -29.882 -19.418 20.277 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -30.796 -21.727 20.158 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -32.079 -20.494 20.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -31.662 -21.292 18.665 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -28.585 -21.229 19.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -29.280 -20.763 17.615 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -28.228 -19.628 18.494 1.00 0.00 H new ATOM 949 N LYS A 59 -31.372 -15.485 18.129 1.00 0.00 N ATOM 950 CA LYS A 59 -32.102 -14.335 17.555 1.00 0.00 C ATOM 951 C LYS A 59 -31.142 -13.424 16.770 1.00 0.00 C ATOM 952 O LYS A 59 -31.375 -13.100 15.600 1.00 0.00 O ATOM 953 CB LYS A 59 -32.801 -13.519 18.680 1.00 0.00 C ATOM 954 CG LYS A 59 -33.955 -14.246 19.406 1.00 0.00 C ATOM 955 CD LYS A 59 -35.164 -14.520 18.478 1.00 0.00 C ATOM 956 CE LYS A 59 -36.330 -15.202 19.212 1.00 0.00 C ATOM 957 NZ LYS A 59 -35.944 -16.524 19.780 1.00 0.00 N ATOM 0 H LYS A 59 -31.471 -15.564 19.141 1.00 0.00 H new ATOM 0 HA LYS A 59 -32.860 -14.719 16.873 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -32.052 -13.235 19.419 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -33.190 -12.596 18.249 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -33.589 -15.191 19.808 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -34.282 -13.644 20.254 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -35.510 -13.579 18.050 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -34.844 -15.149 17.647 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -36.681 -14.553 20.014 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -37.163 -15.335 18.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -36.785 -16.991 20.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -35.539 -17.119 19.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -35.239 -16.386 20.532 1.00 0.00 H new ATOM 971 N LYS A 60 -30.030 -13.065 17.418 1.00 0.00 N ATOM 972 CA LYS A 60 -29.061 -12.121 16.850 1.00 0.00 C ATOM 973 C LYS A 60 -28.200 -12.784 15.762 1.00 0.00 C ATOM 974 O LYS A 60 -27.568 -12.078 14.989 1.00 0.00 O ATOM 975 CB LYS A 60 -28.183 -11.495 17.958 1.00 0.00 C ATOM 976 CG LYS A 60 -28.989 -10.858 19.119 1.00 0.00 C ATOM 977 CD LYS A 60 -28.192 -9.811 19.931 1.00 0.00 C ATOM 978 CE LYS A 60 -26.896 -10.368 20.535 1.00 0.00 C ATOM 979 NZ LYS A 60 -26.221 -9.365 21.384 1.00 0.00 N ATOM 0 H LYS A 60 -29.777 -13.416 18.342 1.00 0.00 H new ATOM 0 HA LYS A 60 -29.622 -11.317 16.374 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -27.527 -12.264 18.365 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -27.543 -10.733 17.513 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -29.883 -10.385 18.712 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -29.325 -11.647 19.792 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -27.950 -8.968 19.284 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -28.822 -9.427 20.733 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -27.121 -11.255 21.127 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -26.225 -10.680 19.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -25.349 -9.773 21.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -25.985 -8.529 20.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -26.853 -9.086 22.161 1.00 0.00 H new ATOM 993 N ARG A 61 -28.156 -14.141 15.723 1.00 0.00 N ATOM 994 CA ARG A 61 -27.524 -14.876 14.597 1.00 0.00 C ATOM 995 C ARG A 61 -28.362 -14.708 13.317 1.00 0.00 C ATOM 996 O ARG A 61 -27.820 -14.730 12.214 1.00 0.00 O ATOM 997 CB ARG A 61 -27.340 -16.394 14.875 1.00 0.00 C ATOM 998 CG ARG A 61 -26.593 -16.759 16.172 1.00 0.00 C ATOM 999 CD ARG A 61 -26.283 -18.267 16.262 1.00 0.00 C ATOM 1000 NE ARG A 61 -27.439 -19.100 15.845 1.00 0.00 N ATOM 1001 CZ ARG A 61 -27.360 -20.347 15.349 1.00 0.00 C ATOM 1002 NH1 ARG A 61 -26.205 -20.992 15.316 1.00 0.00 N ATOM 1003 NH2 ARG A 61 -28.453 -20.954 14.917 1.00 0.00 N ATOM 0 H ARG A 61 -28.546 -14.742 16.449 1.00 0.00 H new ATOM 0 HA ARG A 61 -26.532 -14.442 14.475 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -28.325 -16.860 14.904 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -26.804 -16.834 14.034 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -25.662 -16.195 16.224 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -27.194 -16.462 17.031 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -25.424 -18.498 15.632 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -26.005 -18.519 17.285 1.00 0.00 H new ATOM 0 HE ARG A 61 -28.369 -18.693 15.943 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -25.360 -20.543 15.670 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -26.160 -21.938 14.937 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -29.353 -20.476 14.961 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -28.396 -21.900 14.540 1.00 0.00 H new ATOM 1017 N ILE A 62 -29.699 -14.585 13.488 1.00 0.00 N ATOM 1018 CA ILE A 62 -30.627 -14.297 12.370 1.00 0.00 C ATOM 1019 C ILE A 62 -30.339 -12.885 11.810 1.00 0.00 C ATOM 1020 O ILE A 62 -30.319 -12.684 10.590 1.00 0.00 O ATOM 1021 CB ILE A 62 -32.138 -14.399 12.811 1.00 0.00 C ATOM 1022 CG1 ILE A 62 -32.443 -15.791 13.468 1.00 0.00 C ATOM 1023 CG2 ILE A 62 -33.093 -14.122 11.620 1.00 0.00 C ATOM 1024 CD1 ILE A 62 -33.836 -15.928 14.080 1.00 0.00 C ATOM 0 H ILE A 62 -30.160 -14.681 14.393 1.00 0.00 H new ATOM 0 HA ILE A 62 -30.460 -15.048 11.598 1.00 0.00 H new ATOM 0 HB ILE A 62 -32.315 -13.629 13.562 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -32.317 -16.567 12.713 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -31.702 -15.979 14.245 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -34.127 -14.200 11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -32.912 -13.119 11.234 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -32.912 -14.852 10.831 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -33.949 -16.924 14.508 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -33.965 -15.180 14.862 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -34.589 -15.778 13.307 1.00 0.00 H new ATOM 1036 N GLU A 63 -30.121 -11.913 12.719 1.00 0.00 N ATOM 1037 CA GLU A 63 -29.697 -10.542 12.338 1.00 0.00 C ATOM 1038 C GLU A 63 -28.293 -10.552 11.697 1.00 0.00 C ATOM 1039 O GLU A 63 -28.042 -9.857 10.703 1.00 0.00 O ATOM 1040 CB GLU A 63 -29.723 -9.574 13.558 1.00 0.00 C ATOM 1041 CG GLU A 63 -31.123 -9.063 13.960 1.00 0.00 C ATOM 1042 CD GLU A 63 -32.057 -10.129 14.562 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -32.771 -10.825 13.802 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -32.107 -10.252 15.805 1.00 0.00 O ATOM 0 H GLU A 63 -30.231 -12.048 13.724 1.00 0.00 H new ATOM 0 HA GLU A 63 -30.413 -10.178 11.601 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -29.279 -10.082 14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -29.091 -8.715 13.334 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -31.005 -8.255 14.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -31.604 -8.636 13.080 1.00 0.00 H new ATOM 1051 N PHE A 64 -27.392 -11.370 12.254 1.00 0.00 N ATOM 1052 CA PHE A 64 -25.991 -11.445 11.803 1.00 0.00 C ATOM 1053 C PHE A 64 -25.792 -12.596 10.798 1.00 0.00 C ATOM 1054 O PHE A 64 -24.675 -13.092 10.628 1.00 0.00 O ATOM 1055 CB PHE A 64 -25.031 -11.579 13.020 1.00 0.00 C ATOM 1056 CG PHE A 64 -24.987 -10.373 13.970 1.00 0.00 C ATOM 1057 CD1 PHE A 64 -25.170 -9.068 13.504 1.00 0.00 C ATOM 1058 CD2 PHE A 64 -24.738 -10.546 15.336 1.00 0.00 C ATOM 1059 CE1 PHE A 64 -25.105 -7.986 14.366 1.00 0.00 C ATOM 1060 CE2 PHE A 64 -24.676 -9.464 16.196 1.00 0.00 C ATOM 1061 CZ PHE A 64 -24.862 -8.184 15.712 1.00 0.00 C ATOM 0 H PHE A 64 -27.609 -11.998 13.028 1.00 0.00 H new ATOM 0 HA PHE A 64 -25.748 -10.517 11.286 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -25.322 -12.459 13.593 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -24.023 -11.761 12.646 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -25.365 -8.901 12.455 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -24.592 -11.542 15.726 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -25.245 -6.985 13.985 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -24.482 -9.621 17.247 1.00 0.00 H new ATOM 0 HZ PHE A 64 -24.818 -7.340 16.384 1.00 0.00 H new ATOM 1071 N ALA A 65 -26.883 -12.978 10.105 1.00 0.00 N ATOM 1072 CA ALA A 65 -26.847 -13.992 9.031 1.00 0.00 C ATOM 1073 C ALA A 65 -26.156 -13.445 7.762 1.00 0.00 C ATOM 1074 O ALA A 65 -25.770 -14.213 6.881 1.00 0.00 O ATOM 1075 CB ALA A 65 -28.269 -14.480 8.719 1.00 0.00 C ATOM 0 H ALA A 65 -27.813 -12.593 10.273 1.00 0.00 H new ATOM 0 HA ALA A 65 -26.257 -14.839 9.380 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -28.232 -15.227 7.926 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -28.706 -14.922 9.614 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -28.880 -13.637 8.395 1.00 0.00 H new ATOM 1081 N ASN A 66 -26.017 -12.105 7.671 1.00 0.00 N ATOM 1082 CA ASN A 66 -25.272 -11.450 6.571 1.00 0.00 C ATOM 1083 C ASN A 66 -23.749 -11.524 6.818 1.00 0.00 C ATOM 1084 O ASN A 66 -22.951 -11.286 5.904 1.00 0.00 O ATOM 1085 CB ASN A 66 -25.702 -9.970 6.407 1.00 0.00 C ATOM 1086 CG ASN A 66 -27.204 -9.782 6.191 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -27.931 -9.447 7.121 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -27.682 -10.027 4.976 1.00 0.00 N ATOM 0 H ASN A 66 -26.412 -11.452 8.348 1.00 0.00 H new ATOM 0 HA ASN A 66 -25.509 -11.986 5.652 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -25.400 -9.414 7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -25.166 -9.538 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -28.682 -9.938 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -27.049 -10.304 4.225 1.00 0.00 H new ATOM 1095 N TYR A 67 -23.365 -11.855 8.064 1.00 0.00 N ATOM 1096 CA TYR A 67 -21.961 -11.892 8.515 1.00 0.00 C ATOM 1097 C TYR A 67 -21.581 -13.337 8.887 1.00 0.00 C ATOM 1098 O TYR A 67 -22.447 -14.133 9.275 1.00 0.00 O ATOM 1099 CB TYR A 67 -21.794 -10.982 9.759 1.00 0.00 C ATOM 1100 CG TYR A 67 -22.388 -9.566 9.614 1.00 0.00 C ATOM 1101 CD1 TYR A 67 -21.644 -8.505 9.109 1.00 0.00 C ATOM 1102 CD2 TYR A 67 -23.697 -9.296 10.015 1.00 0.00 C ATOM 1103 CE1 TYR A 67 -22.181 -7.232 9.015 1.00 0.00 C ATOM 1104 CE2 TYR A 67 -24.240 -8.030 9.914 1.00 0.00 C ATOM 1105 CZ TYR A 67 -23.477 -7.001 9.419 1.00 0.00 C ATOM 1106 OH TYR A 67 -24.009 -5.735 9.332 1.00 0.00 O ATOM 0 H TYR A 67 -24.029 -12.108 8.796 1.00 0.00 H new ATOM 0 HA TYR A 67 -21.313 -11.538 7.714 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -22.262 -11.471 10.614 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.732 -10.893 9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -20.629 -8.677 8.784 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -24.301 -10.097 10.414 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -21.584 -6.421 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -25.259 -7.850 10.223 1.00 0.00 H new ATOM 0 HH TYR A 67 -24.934 -5.746 9.657 1.00 0.00 H new ATOM 1116 N LYS A 68 -20.289 -13.678 8.775 1.00 0.00 N ATOM 1117 CA LYS A 68 -19.784 -14.987 9.216 1.00 0.00 C ATOM 1118 C LYS A 68 -19.347 -14.887 10.685 1.00 0.00 C ATOM 1119 O LYS A 68 -18.198 -14.538 10.985 1.00 0.00 O ATOM 1120 CB LYS A 68 -18.618 -15.478 8.309 1.00 0.00 C ATOM 1121 CG LYS A 68 -18.926 -15.503 6.785 1.00 0.00 C ATOM 1122 CD LYS A 68 -20.240 -16.246 6.414 1.00 0.00 C ATOM 1123 CE LYS A 68 -20.280 -17.719 6.868 1.00 0.00 C ATOM 1124 NZ LYS A 68 -21.556 -18.379 6.493 1.00 0.00 N ATOM 0 H LYS A 68 -19.574 -13.065 8.383 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.581 -15.726 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.753 -14.836 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.335 -16.483 8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -18.986 -14.477 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.094 -15.978 6.265 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.082 -15.717 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.374 -16.206 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -19.446 -18.260 6.420 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.149 -17.770 7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.543 -19.368 6.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.350 -17.879 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.669 -18.354 5.459 1.00 0.00 H new ATOM 1138 N VAL A 69 -20.298 -15.135 11.605 1.00 0.00 N ATOM 1139 CA VAL A 69 -20.020 -15.068 13.048 1.00 0.00 C ATOM 1140 C VAL A 69 -19.217 -16.304 13.471 1.00 0.00 C ATOM 1141 O VAL A 69 -19.675 -17.423 13.261 1.00 0.00 O ATOM 1142 CB VAL A 69 -21.348 -14.986 13.888 1.00 0.00 C ATOM 1143 CG1 VAL A 69 -21.057 -14.932 15.408 1.00 0.00 C ATOM 1144 CG2 VAL A 69 -22.214 -13.786 13.436 1.00 0.00 C ATOM 0 H VAL A 69 -21.260 -15.382 11.374 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.444 -14.163 13.242 1.00 0.00 H new ATOM 0 HB VAL A 69 -21.916 -15.898 13.701 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -21.997 -14.876 15.957 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -20.515 -15.829 15.707 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -20.453 -14.053 15.632 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -23.126 -13.751 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -21.654 -12.861 13.574 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -22.472 -13.900 12.383 1.00 0.00 H new ATOM 1154 N VAL A 70 -18.046 -16.087 14.099 1.00 0.00 N ATOM 1155 CA VAL A 70 -17.097 -17.153 14.460 1.00 0.00 C ATOM 1156 C VAL A 70 -16.617 -16.994 15.914 1.00 0.00 C ATOM 1157 O VAL A 70 -16.992 -16.046 16.612 1.00 0.00 O ATOM 1158 CB VAL A 70 -15.848 -17.187 13.481 1.00 0.00 C ATOM 1159 CG1 VAL A 70 -16.278 -17.427 12.016 1.00 0.00 C ATOM 1160 CG2 VAL A 70 -14.984 -15.905 13.599 1.00 0.00 C ATOM 0 H VAL A 70 -17.730 -15.156 14.372 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.630 -18.099 14.363 1.00 0.00 H new ATOM 0 HB VAL A 70 -15.230 -18.030 13.791 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -15.396 -17.444 11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.799 -18.382 11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -16.943 -16.625 11.696 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -14.140 -15.970 12.912 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -15.589 -15.034 13.348 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -14.614 -15.808 14.620 1.00 0.00 H new ATOM 1170 N SER A 71 -15.804 -17.963 16.349 1.00 0.00 N ATOM 1171 CA SER A 71 -15.135 -17.956 17.654 1.00 0.00 C ATOM 1172 C SER A 71 -13.777 -17.207 17.550 1.00 0.00 C ATOM 1173 O SER A 71 -13.227 -17.095 16.444 1.00 0.00 O ATOM 1174 CB SER A 71 -14.908 -19.423 18.100 1.00 0.00 C ATOM 1175 OG SER A 71 -16.128 -20.149 18.149 1.00 0.00 O ATOM 0 H SER A 71 -15.589 -18.790 15.792 1.00 0.00 H new ATOM 0 HA SER A 71 -15.754 -17.441 18.388 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.221 -19.912 17.410 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.436 -19.436 19.082 1.00 0.00 H new ATOM 0 HG SER A 71 -16.477 -20.264 17.240 1.00 0.00 H new ATOM 1181 N PRO A 72 -13.189 -16.697 18.693 1.00 0.00 N ATOM 1182 CA PRO A 72 -11.815 -16.103 18.692 1.00 0.00 C ATOM 1183 C PRO A 72 -10.739 -17.148 18.326 1.00 0.00 C ATOM 1184 O PRO A 72 -9.648 -16.800 17.864 1.00 0.00 O ATOM 1185 CB PRO A 72 -11.643 -15.592 20.151 1.00 0.00 C ATOM 1186 CG PRO A 72 -12.601 -16.418 20.956 1.00 0.00 C ATOM 1187 CD PRO A 72 -13.796 -16.642 20.058 1.00 0.00 C ATOM 0 HA PRO A 72 -11.698 -15.314 17.949 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -10.618 -15.722 20.499 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.873 -14.529 20.229 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -12.150 -17.365 21.252 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -12.890 -15.903 21.872 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.318 -17.567 20.305 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -14.522 -15.834 20.144 1.00 0.00 H new ATOM 1195 N ASP A 73 -11.106 -18.428 18.512 1.00 0.00 N ATOM 1196 CA ASP A 73 -10.275 -19.602 18.197 1.00 0.00 C ATOM 1197 C ASP A 73 -9.912 -19.656 16.701 1.00 0.00 C ATOM 1198 O ASP A 73 -8.902 -20.245 16.346 1.00 0.00 O ATOM 1199 CB ASP A 73 -11.032 -20.897 18.587 1.00 0.00 C ATOM 1200 CG ASP A 73 -11.477 -20.933 20.060 1.00 0.00 C ATOM 1201 OD1 ASP A 73 -12.535 -20.345 20.384 1.00 0.00 O ATOM 1202 OD2 ASP A 73 -10.782 -21.539 20.902 1.00 0.00 O ATOM 0 H ASP A 73 -12.016 -18.681 18.897 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.351 -19.519 18.769 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.910 -21.001 17.949 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.391 -21.756 18.389 1.00 0.00 H new ATOM 1207 N TRP A 74 -10.759 -19.049 15.830 1.00 0.00 N ATOM 1208 CA TRP A 74 -10.464 -18.943 14.381 1.00 0.00 C ATOM 1209 C TRP A 74 -9.186 -18.114 14.153 1.00 0.00 C ATOM 1210 O TRP A 74 -8.302 -18.514 13.391 1.00 0.00 O ATOM 1211 CB TRP A 74 -11.656 -18.324 13.591 1.00 0.00 C ATOM 1212 CG TRP A 74 -11.396 -18.214 12.095 1.00 0.00 C ATOM 1213 CD1 TRP A 74 -11.086 -19.239 11.240 1.00 0.00 C ATOM 1214 CD2 TRP A 74 -11.409 -17.025 11.291 1.00 0.00 C ATOM 1215 NE1 TRP A 74 -10.895 -18.756 9.975 1.00 0.00 N ATOM 1216 CE2 TRP A 74 -11.098 -17.409 9.974 1.00 0.00 C ATOM 1217 CE3 TRP A 74 -11.666 -15.675 11.554 1.00 0.00 C ATOM 1218 CZ2 TRP A 74 -11.015 -16.494 8.930 1.00 0.00 C ATOM 1219 CZ3 TRP A 74 -11.592 -14.768 10.517 1.00 0.00 C ATOM 1220 CH2 TRP A 74 -11.275 -15.182 9.215 1.00 0.00 C ATOM 0 H TRP A 74 -11.646 -18.628 16.106 1.00 0.00 H new ATOM 0 HA TRP A 74 -10.307 -19.954 14.004 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -12.546 -18.932 13.754 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -11.871 -17.332 13.989 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -11.004 -20.278 11.524 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -10.641 -19.316 9.161 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -11.918 -15.348 12.552 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.755 -16.808 7.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -11.781 -13.723 10.711 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.235 -14.450 8.422 1.00 0.00 H new ATOM 1231 N ILE A 75 -9.100 -16.986 14.874 1.00 0.00 N ATOM 1232 CA ILE A 75 -7.996 -16.021 14.746 1.00 0.00 C ATOM 1233 C ILE A 75 -6.722 -16.635 15.351 1.00 0.00 C ATOM 1234 O ILE A 75 -5.682 -16.708 14.692 1.00 0.00 O ATOM 1235 CB ILE A 75 -8.314 -14.624 15.441 1.00 0.00 C ATOM 1236 CG1 ILE A 75 -9.544 -13.895 14.788 1.00 0.00 C ATOM 1237 CG2 ILE A 75 -7.073 -13.690 15.425 1.00 0.00 C ATOM 1238 CD1 ILE A 75 -10.895 -14.536 15.039 1.00 0.00 C ATOM 0 H ILE A 75 -9.798 -16.716 15.567 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.855 -15.816 13.685 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.573 -14.849 16.475 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.574 -12.870 15.158 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.382 -13.841 13.711 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.323 -12.745 15.907 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.253 -14.166 15.963 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.771 -13.503 14.394 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.672 -13.953 14.544 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.895 -15.551 14.642 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -11.090 -14.565 16.111 1.00 0.00 H new ATOM 1250 N VAL A 76 -6.870 -17.128 16.587 1.00 0.00 N ATOM 1251 CA VAL A 76 -5.779 -17.712 17.385 1.00 0.00 C ATOM 1252 C VAL A 76 -5.116 -18.898 16.656 1.00 0.00 C ATOM 1253 O VAL A 76 -3.903 -18.896 16.431 1.00 0.00 O ATOM 1254 CB VAL A 76 -6.337 -18.169 18.787 1.00 0.00 C ATOM 1255 CG1 VAL A 76 -5.295 -18.956 19.621 1.00 0.00 C ATOM 1256 CG2 VAL A 76 -6.864 -16.945 19.571 1.00 0.00 C ATOM 0 H VAL A 76 -7.768 -17.133 17.072 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.014 -16.949 17.529 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.161 -18.858 18.599 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.736 -19.244 20.575 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -4.993 -19.850 19.076 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.422 -18.328 19.799 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.248 -17.270 20.538 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.052 -16.233 19.723 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.664 -16.468 19.005 1.00 0.00 H new ATOM 1266 N ASP A 77 -5.950 -19.856 16.227 1.00 0.00 N ATOM 1267 CA ASP A 77 -5.483 -21.134 15.656 1.00 0.00 C ATOM 1268 C ASP A 77 -4.861 -20.924 14.269 1.00 0.00 C ATOM 1269 O ASP A 77 -3.859 -21.548 13.954 1.00 0.00 O ATOM 1270 CB ASP A 77 -6.637 -22.175 15.600 1.00 0.00 C ATOM 1271 CG ASP A 77 -6.157 -23.621 15.352 1.00 0.00 C ATOM 1272 OD1 ASP A 77 -5.668 -24.258 16.308 1.00 0.00 O ATOM 1273 OD2 ASP A 77 -6.296 -24.141 14.223 1.00 0.00 O ATOM 0 H ASP A 77 -6.966 -19.770 16.265 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.708 -21.530 16.312 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.191 -22.141 16.538 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.332 -21.892 14.810 1.00 0.00 H new ATOM 1278 N SER A 78 -5.441 -20.010 13.460 1.00 0.00 N ATOM 1279 CA SER A 78 -4.937 -19.728 12.093 1.00 0.00 C ATOM 1280 C SER A 78 -3.532 -19.096 12.138 1.00 0.00 C ATOM 1281 O SER A 78 -2.676 -19.415 11.309 1.00 0.00 O ATOM 1282 CB SER A 78 -5.908 -18.810 11.324 1.00 0.00 C ATOM 1283 OG SER A 78 -6.006 -17.536 11.930 1.00 0.00 O ATOM 0 H SER A 78 -6.255 -19.456 13.726 1.00 0.00 H new ATOM 0 HA SER A 78 -4.869 -20.680 11.566 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.567 -18.699 10.295 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.894 -19.273 11.285 1.00 0.00 H new ATOM 0 HG SER A 78 -6.775 -17.521 12.537 1.00 0.00 H new ATOM 1289 N VAL A 79 -3.319 -18.198 13.120 1.00 0.00 N ATOM 1290 CA VAL A 79 -2.014 -17.550 13.369 1.00 0.00 C ATOM 1291 C VAL A 79 -0.957 -18.594 13.815 1.00 0.00 C ATOM 1292 O VAL A 79 0.194 -18.561 13.353 1.00 0.00 O ATOM 1293 CB VAL A 79 -2.166 -16.392 14.433 1.00 0.00 C ATOM 1294 CG1 VAL A 79 -0.799 -15.848 14.914 1.00 0.00 C ATOM 1295 CG2 VAL A 79 -3.031 -15.237 13.865 1.00 0.00 C ATOM 0 H VAL A 79 -4.050 -17.900 13.766 1.00 0.00 H new ATOM 0 HA VAL A 79 -1.664 -17.105 12.437 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.667 -16.824 15.299 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.960 -15.054 15.644 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.228 -16.654 15.374 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.245 -15.452 14.063 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.123 -14.450 14.613 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.557 -14.833 12.970 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.022 -15.615 13.612 1.00 0.00 H new ATOM 1305 N LYS A 80 -1.377 -19.531 14.688 1.00 0.00 N ATOM 1306 CA LYS A 80 -0.521 -20.644 15.173 1.00 0.00 C ATOM 1307 C LYS A 80 -0.134 -21.596 14.020 1.00 0.00 C ATOM 1308 O LYS A 80 0.997 -22.099 13.960 1.00 0.00 O ATOM 1309 CB LYS A 80 -1.252 -21.434 16.296 1.00 0.00 C ATOM 1310 CG LYS A 80 -1.480 -20.644 17.604 1.00 0.00 C ATOM 1311 CD LYS A 80 -2.416 -21.380 18.598 1.00 0.00 C ATOM 1312 CE LYS A 80 -1.852 -22.726 19.096 1.00 0.00 C ATOM 1313 NZ LYS A 80 -0.616 -22.562 19.901 1.00 0.00 N ATOM 0 H LYS A 80 -2.319 -19.542 15.080 1.00 0.00 H new ATOM 0 HA LYS A 80 0.395 -20.212 15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.218 -21.767 15.916 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.674 -22.329 16.525 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.519 -20.462 18.085 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.906 -19.670 17.365 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.601 -20.734 19.456 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.378 -21.555 18.117 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.608 -23.233 19.696 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.642 -23.367 18.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.278 -23.495 20.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.116 -22.103 19.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.820 -21.973 20.734 1.00 0.00 H new ATOM 1327 N GLU A 81 -1.086 -21.832 13.106 1.00 0.00 N ATOM 1328 CA GLU A 81 -0.892 -22.700 11.929 1.00 0.00 C ATOM 1329 C GLU A 81 -0.191 -21.944 10.782 1.00 0.00 C ATOM 1330 O GLU A 81 0.344 -22.576 9.852 1.00 0.00 O ATOM 1331 CB GLU A 81 -2.261 -23.244 11.446 1.00 0.00 C ATOM 1332 CG GLU A 81 -2.996 -24.157 12.447 1.00 0.00 C ATOM 1333 CD GLU A 81 -2.220 -25.438 12.781 1.00 0.00 C ATOM 1334 OE1 GLU A 81 -2.269 -26.400 11.981 1.00 0.00 O ATOM 1335 OE2 GLU A 81 -1.542 -25.493 13.832 1.00 0.00 O ATOM 0 H GLU A 81 -2.020 -21.425 13.160 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.252 -23.532 12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.906 -22.398 11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.107 -23.797 10.520 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.181 -23.602 13.367 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.969 -24.426 12.036 1.00 0.00 H new ATOM 1342 N ALA A 82 -0.224 -20.592 10.858 1.00 0.00 N ATOM 1343 CA ALA A 82 0.319 -19.676 9.829 1.00 0.00 C ATOM 1344 C ALA A 82 -0.350 -19.909 8.449 1.00 0.00 C ATOM 1345 O ALA A 82 0.274 -19.708 7.402 1.00 0.00 O ATOM 1346 CB ALA A 82 1.863 -19.774 9.764 1.00 0.00 C ATOM 0 H ALA A 82 -0.636 -20.100 11.651 1.00 0.00 H new ATOM 0 HA ALA A 82 0.074 -18.654 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.239 -19.092 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.286 -19.504 10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.153 -20.794 9.513 1.00 0.00 H new ATOM 1352 N ARG A 83 -1.646 -20.292 8.471 1.00 0.00 N ATOM 1353 CA ARG A 83 -2.446 -20.571 7.251 1.00 0.00 C ATOM 1354 C ARG A 83 -3.866 -19.997 7.412 1.00 0.00 C ATOM 1355 O ARG A 83 -4.300 -19.717 8.534 1.00 0.00 O ATOM 1356 CB ARG A 83 -2.523 -22.110 6.996 1.00 0.00 C ATOM 1357 CG ARG A 83 -3.401 -22.892 8.006 1.00 0.00 C ATOM 1358 CD ARG A 83 -3.371 -24.421 7.801 1.00 0.00 C ATOM 1359 NE ARG A 83 -2.019 -24.989 8.003 1.00 0.00 N ATOM 1360 CZ ARG A 83 -1.744 -26.234 8.431 1.00 0.00 C ATOM 1361 NH1 ARG A 83 -2.714 -27.060 8.820 1.00 0.00 N ATOM 1362 NH2 ARG A 83 -0.480 -26.631 8.494 1.00 0.00 N ATOM 0 H ARG A 83 -2.171 -20.418 9.337 1.00 0.00 H new ATOM 0 HA ARG A 83 -1.962 -20.096 6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.911 -22.279 5.992 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.513 -22.519 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.066 -22.663 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.431 -22.544 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.068 -24.892 8.494 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.715 -24.657 6.794 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.225 -24.382 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.686 -26.752 8.796 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.485 -28.001 9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.269 -25.995 8.220 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.257 -27.572 8.817 1.00 0.00 H new ATOM 1376 N LEU A 84 -4.583 -19.834 6.284 1.00 0.00 N ATOM 1377 CA LEU A 84 -6.009 -19.458 6.289 1.00 0.00 C ATOM 1378 C LEU A 84 -6.845 -20.710 6.595 1.00 0.00 C ATOM 1379 O LEU A 84 -6.716 -21.741 5.921 1.00 0.00 O ATOM 1380 CB LEU A 84 -6.406 -18.790 4.931 1.00 0.00 C ATOM 1381 CG LEU A 84 -7.877 -18.233 4.756 1.00 0.00 C ATOM 1382 CD1 LEU A 84 -8.894 -19.321 4.344 1.00 0.00 C ATOM 1383 CD2 LEU A 84 -8.359 -17.479 6.018 1.00 0.00 C ATOM 0 H LEU A 84 -4.193 -19.958 5.350 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.204 -18.717 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.717 -17.963 4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.234 -19.521 4.141 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.827 -17.522 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.883 -18.874 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.593 -19.759 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.925 -20.098 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.373 -17.112 5.858 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.349 -18.156 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.695 -16.637 6.214 1.00 0.00 H new ATOM 1395 N LEU A 85 -7.689 -20.604 7.628 1.00 0.00 N ATOM 1396 CA LEU A 85 -8.621 -21.663 8.028 1.00 0.00 C ATOM 1397 C LEU A 85 -10.026 -21.354 7.494 1.00 0.00 C ATOM 1398 O LEU A 85 -10.386 -20.174 7.346 1.00 0.00 O ATOM 1399 CB LEU A 85 -8.670 -21.786 9.575 1.00 0.00 C ATOM 1400 CG LEU A 85 -7.354 -22.237 10.274 1.00 0.00 C ATOM 1401 CD1 LEU A 85 -7.556 -22.319 11.799 1.00 0.00 C ATOM 1402 CD2 LEU A 85 -6.835 -23.580 9.702 1.00 0.00 C ATOM 0 H LEU A 85 -7.744 -19.772 8.215 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.273 -22.607 7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.961 -20.819 9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.456 -22.494 9.837 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.590 -21.487 10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.627 -22.636 12.273 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.843 -21.339 12.181 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.342 -23.040 12.024 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.915 -23.862 10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.587 -24.355 9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.637 -23.469 8.636 1.00 0.00 H new ATOM 1414 N PRO A 86 -10.838 -22.406 7.172 1.00 0.00 N ATOM 1415 CA PRO A 86 -12.278 -22.237 6.932 1.00 0.00 C ATOM 1416 C PRO A 86 -12.981 -21.735 8.214 1.00 0.00 C ATOM 1417 O PRO A 86 -12.987 -22.418 9.244 1.00 0.00 O ATOM 1418 CB PRO A 86 -12.750 -23.655 6.503 1.00 0.00 C ATOM 1419 CG PRO A 86 -11.727 -24.579 7.079 1.00 0.00 C ATOM 1420 CD PRO A 86 -10.421 -23.826 6.986 1.00 0.00 C ATOM 0 HA PRO A 86 -12.513 -21.492 6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -13.746 -23.875 6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.801 -23.745 5.418 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.963 -24.833 8.112 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.683 -25.515 6.522 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.716 -24.144 7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.934 -23.981 6.023 1.00 0.00 H new ATOM 1428 N TRP A 87 -13.522 -20.510 8.140 1.00 0.00 N ATOM 1429 CA TRP A 87 -14.220 -19.856 9.262 1.00 0.00 C ATOM 1430 C TRP A 87 -15.485 -20.634 9.684 1.00 0.00 C ATOM 1431 O TRP A 87 -15.899 -20.560 10.844 1.00 0.00 O ATOM 1432 CB TRP A 87 -14.542 -18.378 8.904 1.00 0.00 C ATOM 1433 CG TRP A 87 -15.185 -18.163 7.545 1.00 0.00 C ATOM 1434 CD1 TRP A 87 -16.488 -18.382 7.191 1.00 0.00 C ATOM 1435 CD2 TRP A 87 -14.532 -17.668 6.368 1.00 0.00 C ATOM 1436 NE1 TRP A 87 -16.680 -18.050 5.874 1.00 0.00 N ATOM 1437 CE2 TRP A 87 -15.496 -17.611 5.347 1.00 0.00 C ATOM 1438 CE3 TRP A 87 -13.219 -17.275 6.081 1.00 0.00 C ATOM 1439 CZ2 TRP A 87 -15.195 -17.162 4.063 1.00 0.00 C ATOM 1440 CZ3 TRP A 87 -12.919 -16.826 4.808 1.00 0.00 C ATOM 1441 CH2 TRP A 87 -13.903 -16.776 3.812 1.00 0.00 C ATOM 0 H TRP A 87 -13.488 -19.940 7.295 1.00 0.00 H new ATOM 0 HA TRP A 87 -13.555 -19.860 10.125 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -15.204 -17.973 9.669 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -13.617 -17.802 8.945 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -17.254 -18.761 7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -17.563 -18.119 5.369 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -12.453 -17.322 6.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -15.951 -17.119 3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -11.912 -16.510 4.578 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -13.638 -16.426 2.825 1.00 0.00 H new ATOM 1452 N GLN A 88 -16.052 -21.405 8.728 1.00 0.00 N ATOM 1453 CA GLN A 88 -17.244 -22.260 8.940 1.00 0.00 C ATOM 1454 C GLN A 88 -17.006 -23.335 10.038 1.00 0.00 C ATOM 1455 O GLN A 88 -17.965 -23.838 10.635 1.00 0.00 O ATOM 1456 CB GLN A 88 -17.675 -22.911 7.593 1.00 0.00 C ATOM 1457 CG GLN A 88 -16.625 -23.846 6.954 1.00 0.00 C ATOM 1458 CD GLN A 88 -17.014 -24.358 5.558 1.00 0.00 C ATOM 1459 OE1 GLN A 88 -18.195 -24.517 5.246 1.00 0.00 O ATOM 1460 NE2 GLN A 88 -16.026 -24.633 4.717 1.00 0.00 N ATOM 0 H GLN A 88 -15.690 -21.452 7.775 1.00 0.00 H new ATOM 0 HA GLN A 88 -18.054 -21.626 9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -18.592 -23.478 7.758 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -17.913 -22.118 6.884 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.675 -23.316 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -16.465 -24.700 7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -15.058 -24.491 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -16.235 -24.986 3.783 1.00 0.00 H new ATOM 1469 N ASN A 89 -15.718 -23.671 10.284 1.00 0.00 N ATOM 1470 CA ASN A 89 -15.295 -24.588 11.373 1.00 0.00 C ATOM 1471 C ASN A 89 -15.654 -23.981 12.748 1.00 0.00 C ATOM 1472 O ASN A 89 -16.214 -24.656 13.621 1.00 0.00 O ATOM 1473 CB ASN A 89 -13.754 -24.836 11.267 1.00 0.00 C ATOM 1474 CG ASN A 89 -13.159 -25.862 12.260 1.00 0.00 C ATOM 1475 OD1 ASN A 89 -13.625 -26.037 13.385 1.00 0.00 O ATOM 1476 ND2 ASN A 89 -12.094 -26.540 11.853 1.00 0.00 N ATOM 0 H ASN A 89 -14.939 -23.313 9.732 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.818 -25.539 11.274 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -13.529 -25.169 10.254 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -13.243 -23.884 11.410 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.651 -27.216 12.475 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.718 -26.385 10.918 1.00 0.00 H new ATOM 1483 N TYR A 90 -15.352 -22.686 12.912 1.00 0.00 N ATOM 1484 CA TYR A 90 -15.483 -21.973 14.200 1.00 0.00 C ATOM 1485 C TYR A 90 -16.745 -21.094 14.235 1.00 0.00 C ATOM 1486 O TYR A 90 -16.948 -20.344 15.197 1.00 0.00 O ATOM 1487 CB TYR A 90 -14.210 -21.122 14.443 1.00 0.00 C ATOM 1488 CG TYR A 90 -12.920 -21.959 14.509 1.00 0.00 C ATOM 1489 CD1 TYR A 90 -12.553 -22.626 15.680 1.00 0.00 C ATOM 1490 CD2 TYR A 90 -12.072 -22.081 13.404 1.00 0.00 C ATOM 1491 CE1 TYR A 90 -11.397 -23.379 15.748 1.00 0.00 C ATOM 1492 CE2 TYR A 90 -10.913 -22.834 13.469 1.00 0.00 C ATOM 1493 CZ TYR A 90 -10.578 -23.478 14.642 1.00 0.00 C ATOM 1494 OH TYR A 90 -9.425 -24.234 14.711 1.00 0.00 O ATOM 0 H TYR A 90 -15.008 -22.096 12.154 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.586 -22.708 14.998 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.116 -20.385 13.645 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -14.324 -20.569 15.375 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -13.187 -22.551 16.551 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.326 -21.578 12.483 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.135 -23.888 16.664 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -10.272 -22.917 12.604 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.961 -24.202 13.849 1.00 0.00 H new ATOM 1504 N SER A 91 -17.591 -21.197 13.191 1.00 0.00 N ATOM 1505 CA SER A 91 -18.801 -20.372 13.055 1.00 0.00 C ATOM 1506 C SER A 91 -19.845 -20.676 14.150 1.00 0.00 C ATOM 1507 O SER A 91 -20.392 -21.779 14.220 1.00 0.00 O ATOM 1508 CB SER A 91 -19.416 -20.529 11.641 1.00 0.00 C ATOM 1509 OG SER A 91 -18.627 -19.873 10.653 1.00 0.00 O ATOM 0 H SER A 91 -17.453 -21.853 12.422 1.00 0.00 H new ATOM 0 HA SER A 91 -18.498 -19.333 13.188 1.00 0.00 H new ATOM 0 HB2 SER A 91 -19.502 -21.588 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.425 -20.118 11.634 1.00 0.00 H new ATOM 0 HG SER A 91 -17.689 -20.137 10.755 1.00 0.00 H new ATOM 1515 N LEU A 92 -20.090 -19.667 15.011 1.00 0.00 N ATOM 1516 CA LEU A 92 -21.179 -19.683 16.004 1.00 0.00 C ATOM 1517 C LEU A 92 -22.543 -19.549 15.300 1.00 0.00 C ATOM 1518 O LEU A 92 -23.563 -20.004 15.820 1.00 0.00 O ATOM 1519 CB LEU A 92 -20.998 -18.523 17.019 1.00 0.00 C ATOM 1520 CG LEU A 92 -19.654 -18.496 17.807 1.00 0.00 C ATOM 1521 CD1 LEU A 92 -19.594 -17.269 18.741 1.00 0.00 C ATOM 1522 CD2 LEU A 92 -19.436 -19.810 18.592 1.00 0.00 C ATOM 0 H LEU A 92 -19.533 -18.813 15.035 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.146 -20.632 16.539 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -21.098 -17.580 16.482 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -21.815 -18.568 17.739 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.842 -18.410 17.085 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -18.648 -17.269 19.282 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -19.674 -16.357 18.149 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.418 -17.313 19.453 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -18.490 -19.759 19.131 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -20.251 -19.949 19.302 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -19.413 -20.649 17.897 1.00 0.00 H new ATOM 1534 N THR A 93 -22.522 -18.911 14.106 1.00 0.00 N ATOM 1535 CA THR A 93 -23.713 -18.702 13.264 1.00 0.00 C ATOM 1536 C THR A 93 -24.230 -20.023 12.640 1.00 0.00 C ATOM 1537 O THR A 93 -25.326 -20.045 12.080 1.00 0.00 O ATOM 1538 CB THR A 93 -23.429 -17.634 12.145 1.00 0.00 C ATOM 1539 OG1 THR A 93 -24.606 -17.377 11.354 1.00 0.00 O ATOM 1540 CG2 THR A 93 -22.275 -18.045 11.215 1.00 0.00 C ATOM 0 H THR A 93 -21.669 -18.526 13.701 1.00 0.00 H new ATOM 0 HA THR A 93 -24.500 -18.323 13.916 1.00 0.00 H new ATOM 0 HB THR A 93 -23.136 -16.724 12.669 1.00 0.00 H new ATOM 0 HG1 THR A 93 -25.233 -18.124 11.448 1.00 0.00 H new ATOM 0 HG21 THR A 93 -22.122 -17.272 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.363 -18.168 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 93 -22.521 -18.987 10.724 1.00 0.00 H new ATOM 1548 N SER A 94 -23.436 -21.107 12.740 1.00 0.00 N ATOM 1549 CA SER A 94 -23.846 -22.451 12.298 1.00 0.00 C ATOM 1550 C SER A 94 -24.923 -23.025 13.262 1.00 0.00 C ATOM 1551 O SER A 94 -26.119 -23.100 12.879 1.00 0.00 O ATOM 1552 CB SER A 94 -22.603 -23.373 12.213 1.00 0.00 C ATOM 1553 OG SER A 94 -21.655 -22.868 11.281 1.00 0.00 O ATOM 1554 OXT SER A 94 -24.590 -23.325 14.425 1.00 0.00 O ATOM 0 H SER A 94 -22.494 -21.074 13.129 1.00 0.00 H new ATOM 0 HA SER A 94 -24.291 -22.392 11.305 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.141 -23.458 13.197 1.00 0.00 H new ATOM 0 HB3 SER A 94 -22.910 -24.376 11.917 1.00 0.00 H new ATOM 0 HG SER A 94 -20.879 -23.466 11.247 1.00 0.00 H new