USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 110:sc= 0.352 USER MOD Set 1.2: A 70 CYS SG : rot 146:sc= -0.669 USER MOD Set 1.3: A 83 HIS : no HE2:sc= -1.59 K(o=-4.5,f=-8.5) USER MOD Set 1.4: A 87 HIS :FLIP no HE2:sc= -2.61 F(o=-7.8!,f=-4.5) USER MOD Set 2.1: A 39 CYS SG : rot -154:sc= 0.513 USER MOD Set 2.2: A 42 CYS SG : rot -160:sc= 0.131 USER MOD Set 2.3: A 55 HIS : no HD1:sc= 0.522 K(o=-0.75,f=-5!) USER MOD Set 2.4: A 59 HIS : no HD1:sc= -1.92 X(o=-0.75,f=-0.99) USER MOD Set 3.1: A 11 CYS SG : rot 49:sc= -3.21! USER MOD Set 3.2: A 14 CYS SG : rot -51:sc= -2.11 USER MOD Set 3.3: A 27 HIS : no HD1:sc= -1.24 K(o=-8.8,f=-15!) USER MOD Set 3.4: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.5: A 31 HIS : no HD1:sc= -2.25! C(o=-8.8!,f=-13!) USER MOD Single : A 9 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.48) USER MOD Single : A 10 LYS NZ :NH3+ -124:sc= -0.0205 (180deg=-0.888) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 21:sc= 0.104 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -158:sc= -0.0789 (180deg=-0.367) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -44:sc= -0.0612 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 150:sc= -0.22 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.045) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.0572 (180deg=-0.65) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0605) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 72 TYR OH : rot 150:sc= -0.227 USER MOD Single : A 74 SER OG : rot 112:sc= 0.196 USER MOD Single : A 76 ASN : amide:sc= -0.0755 K(o=-0.076,f=-1.6!) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.00496 K(o=0.005,f=-2.4!) USER MOD Single : A 81 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 21.953 -0.941 -3.535 1.00 0.00 N ATOM 81 CA HIS A 9 21.020 -1.995 -3.152 1.00 0.00 C ATOM 82 C HIS A 9 20.485 -2.720 -4.383 1.00 0.00 C ATOM 83 O HIS A 9 19.583 -2.229 -5.063 1.00 0.00 O ATOM 84 CB HIS A 9 19.861 -1.411 -2.345 1.00 0.00 C ATOM 85 CG HIS A 9 20.182 -1.209 -0.896 1.00 0.00 C ATOM 86 ND1 HIS A 9 19.837 -2.115 0.085 1.00 0.00 N ATOM 87 CD2 HIS A 9 20.821 -0.197 -0.263 1.00 0.00 C ATOM 88 CE1 HIS A 9 20.249 -1.668 1.258 1.00 0.00 C ATOM 89 NE2 HIS A 9 20.850 -0.506 1.074 1.00 0.00 N ATOM 0 HA HIS A 9 21.557 -2.714 -2.533 1.00 0.00 H new ATOM 0 HB2 HIS A 9 19.571 -0.455 -2.781 1.00 0.00 H new ATOM 0 HB3 HIS A 9 19.000 -2.074 -2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 9 21.232 0.689 -0.724 1.00 0.00 H new ATOM 0 HE1 HIS A 9 20.117 -2.168 2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 9 21.268 0.068 1.806 1.00 0.00 H new ATOM 97 N LYS A 10 21.045 -3.891 -4.664 1.00 0.00 N ATOM 98 CA LYS A 10 20.624 -4.685 -5.813 1.00 0.00 C ATOM 99 C LYS A 10 20.146 -6.066 -5.374 1.00 0.00 C ATOM 100 O LYS A 10 20.843 -6.772 -4.645 1.00 0.00 O ATOM 101 CB LYS A 10 21.776 -4.826 -6.811 1.00 0.00 C ATOM 102 CG LYS A 10 21.450 -5.722 -7.993 1.00 0.00 C ATOM 103 CD LYS A 10 20.535 -5.026 -8.986 1.00 0.00 C ATOM 104 CE LYS A 10 21.329 -4.305 -10.065 1.00 0.00 C ATOM 105 NZ LYS A 10 21.628 -2.896 -9.686 1.00 0.00 N ATOM 0 H LYS A 10 21.792 -4.312 -4.112 1.00 0.00 H new ATOM 0 HA LYS A 10 19.794 -4.169 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.049 -3.837 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 10 22.648 -5.225 -6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 10 22.373 -6.017 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 10 20.974 -6.636 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 10 19.873 -5.759 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 10 19.902 -4.312 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 10 22.262 -4.838 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 10 20.767 -4.318 -10.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 21.268 -2.255 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 21.168 -2.675 -8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 22.656 -2.773 -9.592 1.00 0.00 H new ATOM 119 N CYS A 11 18.955 -6.445 -5.825 1.00 0.00 N ATOM 120 CA CYS A 11 18.384 -7.741 -5.480 1.00 0.00 C ATOM 121 C CYS A 11 19.390 -8.862 -5.727 1.00 0.00 C ATOM 122 O CYS A 11 20.454 -8.637 -6.301 1.00 0.00 O ATOM 123 CB CYS A 11 17.112 -7.994 -6.292 1.00 0.00 C ATOM 124 SG CYS A 11 15.885 -9.041 -5.446 1.00 0.00 S ATOM 0 H CYS A 11 18.367 -5.873 -6.430 1.00 0.00 H new ATOM 0 HA CYS A 11 18.133 -7.729 -4.419 1.00 0.00 H new ATOM 0 HB2 CYS A 11 16.651 -7.036 -6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 11 17.385 -8.464 -7.237 1.00 0.00 H new ATOM 0 HG CYS A 11 15.690 -8.594 -4.241 1.00 0.00 H new ATOM 129 N GLU A 12 19.043 -10.068 -5.289 1.00 0.00 N ATOM 130 CA GLU A 12 19.916 -11.223 -5.462 1.00 0.00 C ATOM 131 C GLU A 12 19.163 -12.381 -6.112 1.00 0.00 C ATOM 132 O GLU A 12 19.753 -13.408 -6.449 1.00 0.00 O ATOM 133 CB GLU A 12 20.488 -11.665 -4.114 1.00 0.00 C ATOM 134 CG GLU A 12 21.371 -12.898 -4.202 1.00 0.00 C ATOM 135 CD GLU A 12 22.036 -13.235 -2.881 1.00 0.00 C ATOM 136 OE1 GLU A 12 21.321 -13.649 -1.945 1.00 0.00 O ATOM 137 OE2 GLU A 12 23.272 -13.084 -2.784 1.00 0.00 O ATOM 0 H GLU A 12 18.164 -10.271 -4.812 1.00 0.00 H new ATOM 0 HA GLU A 12 20.736 -10.931 -6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 12 21.065 -10.845 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 12 19.665 -11.866 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 12 20.771 -13.747 -4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 12 22.138 -12.738 -4.960 1.00 0.00 H new ATOM 144 N VAL A 13 17.857 -12.208 -6.284 1.00 0.00 N ATOM 145 CA VAL A 13 17.023 -13.237 -6.893 1.00 0.00 C ATOM 146 C VAL A 13 16.687 -12.888 -8.338 1.00 0.00 C ATOM 147 O VAL A 13 16.679 -13.756 -9.212 1.00 0.00 O ATOM 148 CB VAL A 13 15.713 -13.436 -6.107 1.00 0.00 C ATOM 149 CG1 VAL A 13 15.964 -14.252 -4.848 1.00 0.00 C ATOM 150 CG2 VAL A 13 15.088 -12.092 -5.765 1.00 0.00 C ATOM 0 H VAL A 13 17.353 -11.364 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 13 17.597 -14.164 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 13 15.013 -13.987 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.027 -14.382 -4.306 1.00 0.00 H new ATOM 0 HG12 VAL A 13 16.364 -15.229 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 13 16.681 -13.731 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 13 14.164 -12.251 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.782 -11.513 -5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.870 -11.548 -6.684 1.00 0.00 H new ATOM 160 N CYS A 14 16.412 -11.612 -8.584 1.00 0.00 N ATOM 161 CA CYS A 14 16.075 -11.146 -9.924 1.00 0.00 C ATOM 162 C CYS A 14 17.069 -10.090 -10.399 1.00 0.00 C ATOM 163 O CYS A 14 16.939 -9.547 -11.495 1.00 0.00 O ATOM 164 CB CYS A 14 14.657 -10.573 -9.947 1.00 0.00 C ATOM 165 SG CYS A 14 14.481 -8.988 -9.067 1.00 0.00 S ATOM 0 H CYS A 14 16.416 -10.881 -7.872 1.00 0.00 H new ATOM 0 HA CYS A 14 16.126 -11.999 -10.601 1.00 0.00 H new ATOM 0 HB2 CYS A 14 14.348 -10.437 -10.984 1.00 0.00 H new ATOM 0 HB3 CYS A 14 13.976 -11.300 -9.504 1.00 0.00 H new ATOM 0 HG CYS A 14 14.993 -9.093 -7.877 1.00 0.00 H new ATOM 170 N GLY A 15 18.064 -9.804 -9.564 1.00 0.00 N ATOM 171 CA GLY A 15 19.066 -8.814 -9.915 1.00 0.00 C ATOM 172 C GLY A 15 18.453 -7.500 -10.357 1.00 0.00 C ATOM 173 O GLY A 15 19.019 -6.791 -11.189 1.00 0.00 O ATOM 0 H GLY A 15 18.194 -10.240 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.715 -8.638 -9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 15 19.694 -9.205 -10.715 1.00 0.00 H new ATOM 177 N LYS A 16 17.291 -7.174 -9.801 1.00 0.00 N ATOM 178 CA LYS A 16 16.599 -5.937 -10.142 1.00 0.00 C ATOM 179 C LYS A 16 17.288 -4.735 -9.504 1.00 0.00 C ATOM 180 O LYS A 16 17.746 -4.804 -8.363 1.00 0.00 O ATOM 181 CB LYS A 16 15.139 -6.003 -9.687 1.00 0.00 C ATOM 182 CG LYS A 16 14.416 -4.670 -9.769 1.00 0.00 C ATOM 183 CD LYS A 16 13.762 -4.472 -11.126 1.00 0.00 C ATOM 184 CE LYS A 16 12.955 -3.184 -11.173 1.00 0.00 C ATOM 185 NZ LYS A 16 11.627 -3.337 -10.516 1.00 0.00 N ATOM 0 H LYS A 16 16.808 -7.750 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 16 16.630 -5.819 -11.225 1.00 0.00 H new ATOM 0 HB2 LYS A 16 14.609 -6.733 -10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 16 15.103 -6.364 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.658 -4.618 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 16 15.122 -3.860 -9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.528 -4.451 -11.901 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.111 -5.319 -11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.514 -2.387 -10.682 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.814 -2.881 -12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.108 -2.437 -10.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.084 -4.080 -11.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.761 -3.601 -9.519 1.00 0.00 H new ATOM 199 N CYS A 17 17.356 -3.636 -10.246 1.00 0.00 N ATOM 200 CA CYS A 17 17.989 -2.418 -9.752 1.00 0.00 C ATOM 201 C CYS A 17 17.018 -1.608 -8.898 1.00 0.00 C ATOM 202 O CYS A 17 15.826 -1.534 -9.197 1.00 0.00 O ATOM 203 CB CYS A 17 18.490 -1.568 -10.921 1.00 0.00 C ATOM 204 SG CYS A 17 17.174 -0.911 -11.973 1.00 0.00 S ATOM 0 H CYS A 17 16.981 -3.563 -11.192 1.00 0.00 H new ATOM 0 HA CYS A 17 18.838 -2.705 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 17 19.075 -0.737 -10.527 1.00 0.00 H new ATOM 0 HB3 CYS A 17 19.163 -2.170 -11.532 1.00 0.00 H new ATOM 0 HG CYS A 17 16.055 -0.901 -11.312 1.00 0.00 H new ATOM 210 N PHE A 18 17.535 -1.005 -7.834 1.00 0.00 N ATOM 211 CA PHE A 18 16.713 -0.203 -6.935 1.00 0.00 C ATOM 212 C PHE A 18 17.510 0.970 -6.371 1.00 0.00 C ATOM 213 O PHE A 18 18.709 1.098 -6.620 1.00 0.00 O ATOM 214 CB PHE A 18 16.179 -1.067 -5.791 1.00 0.00 C ATOM 215 CG PHE A 18 15.052 -1.973 -6.200 1.00 0.00 C ATOM 216 CD1 PHE A 18 13.815 -1.451 -6.539 1.00 0.00 C ATOM 217 CD2 PHE A 18 15.231 -3.346 -6.245 1.00 0.00 C ATOM 218 CE1 PHE A 18 12.776 -2.282 -6.915 1.00 0.00 C ATOM 219 CE2 PHE A 18 14.197 -4.182 -6.621 1.00 0.00 C ATOM 220 CZ PHE A 18 12.968 -3.649 -6.957 1.00 0.00 C ATOM 0 H PHE A 18 18.520 -1.056 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 18 15.873 0.192 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.994 -1.671 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.838 -0.418 -4.984 1.00 0.00 H new ATOM 0 HD1 PHE A 18 13.660 -0.383 -6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.190 -3.768 -5.983 1.00 0.00 H new ATOM 0 HE1 PHE A 18 11.815 -1.863 -7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.350 -5.251 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.158 -4.300 -7.252 1.00 0.00 H new ATOM 230 N SER A 19 16.834 1.826 -5.611 1.00 0.00 N ATOM 231 CA SER A 19 17.476 2.991 -5.015 1.00 0.00 C ATOM 232 C SER A 19 17.403 2.933 -3.492 1.00 0.00 C ATOM 233 O SER A 19 18.428 2.912 -2.810 1.00 0.00 O ATOM 234 CB SER A 19 16.817 4.277 -5.520 1.00 0.00 C ATOM 235 OG SER A 19 17.617 5.409 -5.225 1.00 0.00 O ATOM 0 H SER A 19 15.842 1.734 -5.394 1.00 0.00 H new ATOM 0 HA SER A 19 18.525 2.988 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.659 4.210 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.835 4.391 -5.060 1.00 0.00 H new ATOM 0 HG SER A 19 17.175 6.218 -5.559 1.00 0.00 H new ATOM 241 N ARG A 20 16.183 2.908 -2.965 1.00 0.00 N ATOM 242 CA ARG A 20 15.974 2.853 -1.523 1.00 0.00 C ATOM 243 C ARG A 20 15.970 1.409 -1.029 1.00 0.00 C ATOM 244 O ARG A 20 15.555 0.498 -1.744 1.00 0.00 O ATOM 245 CB ARG A 20 14.656 3.534 -1.151 1.00 0.00 C ATOM 246 CG ARG A 20 14.734 5.052 -1.147 1.00 0.00 C ATOM 247 CD ARG A 20 13.350 5.682 -1.127 1.00 0.00 C ATOM 248 NE ARG A 20 13.341 7.003 -1.749 1.00 0.00 N ATOM 249 CZ ARG A 20 12.229 7.656 -2.069 1.00 0.00 C ATOM 250 NH1 ARG A 20 11.044 7.114 -1.826 1.00 0.00 N ATOM 251 NH2 ARG A 20 12.302 8.855 -2.633 1.00 0.00 N ATOM 0 H ARG A 20 15.324 2.925 -3.515 1.00 0.00 H new ATOM 0 HA ARG A 20 16.797 3.382 -1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 20 13.884 3.220 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.346 3.192 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.299 5.386 -0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.277 5.392 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.648 5.031 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.004 5.764 -0.097 1.00 0.00 H new ATOM 0 HE ARG A 20 14.237 7.448 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.984 6.193 -1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.192 7.618 -2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.212 9.276 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.448 9.356 -2.879 1.00 0.00 H new ATOM 265 N LYS A 21 16.437 1.209 0.199 1.00 0.00 N ATOM 266 CA LYS A 21 16.487 -0.122 0.791 1.00 0.00 C ATOM 267 C LYS A 21 15.085 -0.628 1.114 1.00 0.00 C ATOM 268 O LYS A 21 14.774 -1.800 0.902 1.00 0.00 O ATOM 269 CB LYS A 21 17.340 -0.106 2.062 1.00 0.00 C ATOM 270 CG LYS A 21 16.805 0.819 3.142 1.00 0.00 C ATOM 271 CD LYS A 21 17.513 0.597 4.467 1.00 0.00 C ATOM 272 CE LYS A 21 18.927 1.158 4.445 1.00 0.00 C ATOM 273 NZ LYS A 21 19.588 1.048 5.774 1.00 0.00 N ATOM 0 H LYS A 21 16.786 1.953 0.804 1.00 0.00 H new ATOM 0 HA LYS A 21 16.939 -0.798 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.402 -1.119 2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.355 0.198 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 21 16.932 1.856 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 21 15.735 0.652 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 21 16.945 1.071 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 21 17.547 -0.470 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 21 19.518 0.624 3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.898 2.204 4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.549 1.441 5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.038 1.578 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 19.639 0.048 6.055 1.00 0.00 H new ATOM 287 N ASP A 22 14.243 0.263 1.625 1.00 0.00 N ATOM 288 CA ASP A 22 12.873 -0.093 1.975 1.00 0.00 C ATOM 289 C ASP A 22 12.228 -0.923 0.869 1.00 0.00 C ATOM 290 O ASP A 22 11.680 -1.996 1.122 1.00 0.00 O ATOM 291 CB ASP A 22 12.045 1.168 2.231 1.00 0.00 C ATOM 292 CG ASP A 22 12.605 2.007 3.363 1.00 0.00 C ATOM 293 OD1 ASP A 22 12.886 1.440 4.439 1.00 0.00 O ATOM 294 OD2 ASP A 22 12.761 3.232 3.173 1.00 0.00 O ATOM 0 H ASP A 22 14.485 1.237 1.806 1.00 0.00 H new ATOM 0 HA ASP A 22 12.901 -0.692 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.010 1.767 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.019 0.884 2.466 1.00 0.00 H new ATOM 299 N LYS A 23 12.297 -0.419 -0.359 1.00 0.00 N ATOM 300 CA LYS A 23 11.721 -1.113 -1.504 1.00 0.00 C ATOM 301 C LYS A 23 12.164 -2.572 -1.536 1.00 0.00 C ATOM 302 O LYS A 23 11.362 -3.470 -1.796 1.00 0.00 O ATOM 303 CB LYS A 23 12.127 -0.417 -2.805 1.00 0.00 C ATOM 304 CG LYS A 23 11.167 0.679 -3.234 1.00 0.00 C ATOM 305 CD LYS A 23 11.884 1.781 -3.997 1.00 0.00 C ATOM 306 CE LYS A 23 10.939 2.511 -4.940 1.00 0.00 C ATOM 307 NZ LYS A 23 10.504 1.644 -6.069 1.00 0.00 N ATOM 0 H LYS A 23 12.746 0.468 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 23 10.636 -1.084 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.122 0.011 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.195 -1.161 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.383 0.253 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.679 1.101 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.317 2.491 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.709 1.353 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.064 2.852 -4.386 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.433 3.399 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.188 2.239 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.300 1.051 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.720 1.036 -5.758 1.00 0.00 H new ATOM 321 N LEU A 24 13.445 -2.802 -1.270 1.00 0.00 N ATOM 322 CA LEU A 24 13.995 -4.153 -1.266 1.00 0.00 C ATOM 323 C LEU A 24 13.262 -5.037 -0.263 1.00 0.00 C ATOM 324 O LEU A 24 12.801 -6.128 -0.600 1.00 0.00 O ATOM 325 CB LEU A 24 15.488 -4.116 -0.935 1.00 0.00 C ATOM 326 CG LEU A 24 16.234 -5.446 -1.049 1.00 0.00 C ATOM 327 CD1 LEU A 24 16.472 -5.801 -2.509 1.00 0.00 C ATOM 328 CD2 LEU A 24 17.552 -5.386 -0.291 1.00 0.00 C ATOM 0 H LEU A 24 14.122 -2.070 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 24 13.860 -4.576 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.969 -3.395 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 24 15.605 -3.743 0.082 1.00 0.00 H new ATOM 0 HG LEU A 24 15.617 -6.226 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.004 -6.750 -2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.515 -5.887 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.068 -5.020 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.069 -6.341 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.175 -4.594 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.357 -5.179 0.761 1.00 0.00 H new ATOM 340 N LYS A 25 13.154 -4.558 0.972 1.00 0.00 N ATOM 341 CA LYS A 25 12.474 -5.302 2.025 1.00 0.00 C ATOM 342 C LYS A 25 11.220 -5.983 1.487 1.00 0.00 C ATOM 343 O LYS A 25 11.132 -7.211 1.455 1.00 0.00 O ATOM 344 CB LYS A 25 12.104 -4.368 3.180 1.00 0.00 C ATOM 345 CG LYS A 25 13.281 -4.003 4.068 1.00 0.00 C ATOM 346 CD LYS A 25 12.857 -3.100 5.214 1.00 0.00 C ATOM 347 CE LYS A 25 13.878 -3.113 6.341 1.00 0.00 C ATOM 348 NZ LYS A 25 13.625 -4.217 7.307 1.00 0.00 N ATOM 0 H LYS A 25 13.529 -3.657 1.268 1.00 0.00 H new ATOM 0 HA LYS A 25 13.155 -6.070 2.391 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.670 -3.455 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.334 -4.843 3.788 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.732 -4.911 4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.045 -3.503 3.473 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.730 -2.081 4.848 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.889 -3.424 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.879 -3.219 5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.851 -2.158 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.342 -4.191 8.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.680 -4.102 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.676 -5.130 6.812 1.00 0.00 H new ATOM 362 N THR A 26 10.250 -5.178 1.064 1.00 0.00 N ATOM 363 CA THR A 26 9.001 -5.703 0.526 1.00 0.00 C ATOM 364 C THR A 26 9.228 -6.404 -0.808 1.00 0.00 C ATOM 365 O THR A 26 8.564 -7.393 -1.123 1.00 0.00 O ATOM 366 CB THR A 26 7.958 -4.586 0.336 1.00 0.00 C ATOM 367 OG1 THR A 26 7.870 -3.790 1.523 1.00 0.00 O ATOM 368 CG2 THR A 26 6.592 -5.171 0.009 1.00 0.00 C ATOM 0 H THR A 26 10.306 -4.160 1.084 1.00 0.00 H new ATOM 0 HA THR A 26 8.623 -6.423 1.251 1.00 0.00 H new ATOM 0 HB THR A 26 8.277 -3.960 -0.497 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.206 -3.081 1.393 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.872 -4.363 -0.121 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.656 -5.752 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.269 -5.818 0.824 1.00 0.00 H new ATOM 376 N HIS A 27 10.171 -5.887 -1.590 1.00 0.00 N ATOM 377 CA HIS A 27 10.486 -6.465 -2.892 1.00 0.00 C ATOM 378 C HIS A 27 10.661 -7.977 -2.787 1.00 0.00 C ATOM 379 O HIS A 27 10.527 -8.697 -3.775 1.00 0.00 O ATOM 380 CB HIS A 27 11.756 -5.831 -3.461 1.00 0.00 C ATOM 381 CG HIS A 27 12.139 -6.363 -4.807 1.00 0.00 C ATOM 382 ND1 HIS A 27 11.410 -6.113 -5.951 1.00 0.00 N ATOM 383 CD2 HIS A 27 13.184 -7.134 -5.190 1.00 0.00 C ATOM 384 CE1 HIS A 27 11.989 -6.709 -6.978 1.00 0.00 C ATOM 385 NE2 HIS A 27 13.067 -7.335 -6.543 1.00 0.00 N ATOM 0 H HIS A 27 10.730 -5.070 -1.345 1.00 0.00 H new ATOM 0 HA HIS A 27 9.653 -6.259 -3.565 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.613 -4.753 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.579 -5.998 -2.766 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.964 -7.519 -4.550 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.640 -6.688 -8.000 1.00 0.00 H new ATOM 0 HE2 HIS A 27 13.709 -7.880 -7.119 1.00 0.00 H new ATOM 393 N MET A 28 10.963 -8.450 -1.582 1.00 0.00 N ATOM 394 CA MET A 28 11.157 -9.877 -1.349 1.00 0.00 C ATOM 395 C MET A 28 9.830 -10.561 -1.035 1.00 0.00 C ATOM 396 O MET A 28 9.648 -11.744 -1.324 1.00 0.00 O ATOM 397 CB MET A 28 12.142 -10.098 -0.200 1.00 0.00 C ATOM 398 CG MET A 28 13.422 -9.288 -0.332 1.00 0.00 C ATOM 399 SD MET A 28 14.086 -9.308 -2.007 1.00 0.00 S ATOM 400 CE MET A 28 15.561 -10.298 -1.775 1.00 0.00 C ATOM 0 H MET A 28 11.079 -7.867 -0.753 1.00 0.00 H new ATOM 0 HA MET A 28 11.566 -10.317 -2.259 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.654 -9.841 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 28 12.396 -11.157 -0.148 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.228 -8.258 -0.035 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.170 -9.683 0.356 1.00 0.00 H new ATOM 0 HE1 MET A 28 16.083 -10.401 -2.726 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.216 -9.811 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 28 15.282 -11.285 -1.405 1.00 0.00 H new ATOM 410 N ARG A 29 8.907 -9.810 -0.443 1.00 0.00 N ATOM 411 CA ARG A 29 7.598 -10.346 -0.089 1.00 0.00 C ATOM 412 C ARG A 29 6.843 -10.803 -1.334 1.00 0.00 C ATOM 413 O ARG A 29 5.788 -11.430 -1.237 1.00 0.00 O ATOM 414 CB ARG A 29 6.778 -9.293 0.659 1.00 0.00 C ATOM 415 CG ARG A 29 7.260 -9.042 2.079 1.00 0.00 C ATOM 416 CD ARG A 29 6.382 -8.027 2.794 1.00 0.00 C ATOM 417 NE ARG A 29 6.363 -8.242 4.238 1.00 0.00 N ATOM 418 CZ ARG A 29 5.417 -7.764 5.040 1.00 0.00 C ATOM 419 NH1 ARG A 29 4.419 -7.049 4.540 1.00 0.00 N ATOM 420 NH2 ARG A 29 5.469 -8.002 6.344 1.00 0.00 N ATOM 0 H ARG A 29 9.041 -8.829 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 29 7.750 -11.208 0.560 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.811 -8.356 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.736 -9.610 0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.261 -9.979 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.289 -8.683 2.057 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.744 -7.021 2.582 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.366 -8.089 2.405 1.00 0.00 H new ATOM 0 HE ARG A 29 7.117 -8.789 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.376 -6.865 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.694 -6.683 5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.235 -8.552 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.743 -7.635 6.959 1.00 0.00 H new ATOM 434 N CYS A 30 7.391 -10.485 -2.502 1.00 0.00 N ATOM 435 CA CYS A 30 6.769 -10.862 -3.766 1.00 0.00 C ATOM 436 C CYS A 30 7.637 -11.862 -4.522 1.00 0.00 C ATOM 437 O CYS A 30 7.409 -12.132 -5.702 1.00 0.00 O ATOM 438 CB CYS A 30 6.528 -9.623 -4.629 1.00 0.00 C ATOM 439 SG CYS A 30 5.282 -9.852 -5.919 1.00 0.00 S ATOM 0 H CYS A 30 8.264 -9.967 -2.600 1.00 0.00 H new ATOM 0 HA CYS A 30 5.812 -11.334 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.221 -8.799 -3.985 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.469 -9.330 -5.095 1.00 0.00 H new ATOM 0 HG CYS A 30 5.470 -10.997 -6.506 1.00 0.00 H new ATOM 445 N HIS A 31 8.636 -12.409 -3.836 1.00 0.00 N ATOM 446 CA HIS A 31 9.540 -13.380 -4.443 1.00 0.00 C ATOM 447 C HIS A 31 9.273 -14.782 -3.904 1.00 0.00 C ATOM 448 O HIS A 31 10.123 -15.376 -3.239 1.00 0.00 O ATOM 449 CB HIS A 31 10.994 -12.988 -4.180 1.00 0.00 C ATOM 450 CG HIS A 31 11.538 -12.005 -5.172 1.00 0.00 C ATOM 451 ND1 HIS A 31 11.385 -12.148 -6.534 1.00 0.00 N ATOM 452 CD2 HIS A 31 12.235 -10.860 -4.991 1.00 0.00 C ATOM 453 CE1 HIS A 31 11.966 -11.134 -7.149 1.00 0.00 C ATOM 454 NE2 HIS A 31 12.490 -10.337 -6.235 1.00 0.00 N ATOM 0 H HIS A 31 8.840 -12.196 -2.859 1.00 0.00 H new ATOM 0 HA HIS A 31 9.361 -13.383 -5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.072 -12.563 -3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.612 -13.886 -4.194 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.535 -10.436 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS A 31 12.006 -10.982 -8.218 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.001 -9.474 -6.423 1.00 0.00 H new ATOM 535 N TYR A 37 -0.762 -17.942 -7.423 1.00 0.00 N ATOM 536 CA TYR A 37 -2.088 -18.356 -6.983 1.00 0.00 C ATOM 537 C TYR A 37 -2.161 -18.424 -5.461 1.00 0.00 C ATOM 538 O TYR A 37 -1.867 -19.457 -4.858 1.00 0.00 O ATOM 539 CB TYR A 37 -2.446 -19.717 -7.583 1.00 0.00 C ATOM 540 CG TYR A 37 -2.449 -19.730 -9.095 1.00 0.00 C ATOM 541 CD1 TYR A 37 -3.588 -19.380 -9.810 1.00 0.00 C ATOM 542 CD2 TYR A 37 -1.314 -20.093 -9.809 1.00 0.00 C ATOM 543 CE1 TYR A 37 -3.596 -19.391 -11.191 1.00 0.00 C ATOM 544 CE2 TYR A 37 -1.312 -20.105 -11.191 1.00 0.00 C ATOM 545 CZ TYR A 37 -2.456 -19.754 -11.877 1.00 0.00 C ATOM 546 OH TYR A 37 -2.459 -19.767 -13.253 1.00 0.00 O ATOM 0 HA TYR A 37 -2.806 -17.613 -7.330 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.736 -20.462 -7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.431 -20.016 -7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.483 -19.094 -9.276 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.417 -20.371 -9.275 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.490 -19.117 -11.731 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.420 -20.387 -11.731 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.578 -20.044 -13.579 1.00 0.00 H new ATOM 556 N LYS A 38 -2.556 -17.316 -4.844 1.00 0.00 N ATOM 557 CA LYS A 38 -2.671 -17.247 -3.392 1.00 0.00 C ATOM 558 C LYS A 38 -4.055 -16.759 -2.978 1.00 0.00 C ATOM 559 O LYS A 38 -4.507 -15.699 -3.412 1.00 0.00 O ATOM 560 CB LYS A 38 -1.598 -16.318 -2.819 1.00 0.00 C ATOM 561 CG LYS A 38 -0.276 -17.012 -2.543 1.00 0.00 C ATOM 562 CD LYS A 38 0.486 -16.334 -1.417 1.00 0.00 C ATOM 563 CE LYS A 38 1.212 -15.090 -1.905 1.00 0.00 C ATOM 564 NZ LYS A 38 1.926 -14.395 -0.799 1.00 0.00 N ATOM 0 H LYS A 38 -2.802 -16.452 -5.327 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.525 -18.251 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.429 -15.498 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.968 -15.878 -1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.459 -18.055 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.332 -17.011 -3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.206 -16.063 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.206 -17.033 -0.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.926 -15.367 -2.681 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.495 -14.407 -2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.408 -13.553 -1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.242 -14.108 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.628 -15.038 -0.380 1.00 0.00 H new ATOM 578 N CYS A 39 -4.725 -17.539 -2.135 1.00 0.00 N ATOM 579 CA CYS A 39 -6.058 -17.186 -1.661 1.00 0.00 C ATOM 580 C CYS A 39 -6.070 -15.780 -1.069 1.00 0.00 C ATOM 581 O CYS A 39 -5.176 -15.406 -0.309 1.00 0.00 O ATOM 582 CB CYS A 39 -6.533 -18.196 -0.615 1.00 0.00 C ATOM 583 SG CYS A 39 -8.322 -18.127 -0.275 1.00 0.00 S ATOM 0 H CYS A 39 -4.366 -18.420 -1.766 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.738 -17.208 -2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.276 -19.200 -0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.990 -18.023 0.314 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.553 -18.570 0.925 1.00 0.00 H new ATOM 588 N LYS A 40 -7.089 -15.004 -1.422 1.00 0.00 N ATOM 589 CA LYS A 40 -7.221 -13.639 -0.925 1.00 0.00 C ATOM 590 C LYS A 40 -7.249 -13.615 0.600 1.00 0.00 C ATOM 591 O LYS A 40 -6.659 -12.736 1.228 1.00 0.00 O ATOM 592 CB LYS A 40 -8.493 -12.993 -1.480 1.00 0.00 C ATOM 593 CG LYS A 40 -8.489 -11.477 -1.400 1.00 0.00 C ATOM 594 CD LYS A 40 -9.047 -10.986 -0.075 1.00 0.00 C ATOM 595 CE LYS A 40 -8.839 -9.489 0.098 1.00 0.00 C ATOM 596 NZ LYS A 40 -9.856 -8.699 -0.649 1.00 0.00 N ATOM 0 H LYS A 40 -7.836 -15.297 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.355 -13.070 -1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.619 -13.293 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.354 -13.375 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.471 -11.108 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.080 -11.067 -2.219 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.111 -11.215 -0.020 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.564 -11.518 0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.888 -9.235 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.842 -9.218 -0.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.681 -7.684 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.793 -8.922 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.806 -8.939 -0.301 1.00 0.00 H new ATOM 610 N THR A 41 -7.937 -14.588 1.190 1.00 0.00 N ATOM 611 CA THR A 41 -8.042 -14.678 2.640 1.00 0.00 C ATOM 612 C THR A 41 -6.925 -15.540 3.219 1.00 0.00 C ATOM 613 O THR A 41 -6.103 -15.064 4.003 1.00 0.00 O ATOM 614 CB THR A 41 -9.401 -15.262 3.071 1.00 0.00 C ATOM 615 OG1 THR A 41 -10.466 -14.518 2.470 1.00 0.00 O ATOM 616 CG2 THR A 41 -9.547 -15.234 4.584 1.00 0.00 C ATOM 0 H THR A 41 -8.430 -15.325 0.685 1.00 0.00 H new ATOM 0 HA THR A 41 -7.953 -13.663 3.027 1.00 0.00 H new ATOM 0 HB THR A 41 -9.448 -16.298 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.326 -14.896 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.514 -15.651 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.752 -15.826 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.480 -14.205 4.937 1.00 0.00 H new ATOM 624 N CYS A 42 -6.901 -16.810 2.829 1.00 0.00 N ATOM 625 CA CYS A 42 -5.885 -17.739 3.309 1.00 0.00 C ATOM 626 C CYS A 42 -4.517 -17.395 2.728 1.00 0.00 C ATOM 627 O CYS A 42 -4.408 -16.596 1.799 1.00 0.00 O ATOM 628 CB CYS A 42 -6.262 -19.175 2.939 1.00 0.00 C ATOM 629 SG CYS A 42 -8.039 -19.542 3.101 1.00 0.00 S ATOM 0 H CYS A 42 -7.574 -17.220 2.181 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.832 -17.653 4.394 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.955 -19.367 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -5.701 -19.862 3.573 1.00 0.00 H new ATOM 0 HG CYS A 42 -8.211 -20.828 3.184 1.00 0.00 H new ATOM 634 N ASP A 43 -3.475 -18.005 3.283 1.00 0.00 N ATOM 635 CA ASP A 43 -2.113 -17.765 2.821 1.00 0.00 C ATOM 636 C ASP A 43 -1.548 -19.003 2.131 1.00 0.00 C ATOM 637 O ASP A 43 -0.372 -19.332 2.290 1.00 0.00 O ATOM 638 CB ASP A 43 -1.216 -17.365 3.993 1.00 0.00 C ATOM 639 CG ASP A 43 -1.805 -16.234 4.813 1.00 0.00 C ATOM 640 OD1 ASP A 43 -1.766 -15.078 4.342 1.00 0.00 O ATOM 641 OD2 ASP A 43 -2.305 -16.504 5.925 1.00 0.00 O ATOM 0 H ASP A 43 -3.548 -18.669 4.054 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.139 -16.948 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.055 -18.231 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.239 -17.064 3.613 1.00 0.00 H new ATOM 646 N TYR A 44 -2.393 -19.686 1.367 1.00 0.00 N ATOM 647 CA TYR A 44 -1.978 -20.889 0.656 1.00 0.00 C ATOM 648 C TYR A 44 -1.473 -20.549 -0.743 1.00 0.00 C ATOM 649 O TYR A 44 -2.085 -19.759 -1.461 1.00 0.00 O ATOM 650 CB TYR A 44 -3.142 -21.878 0.563 1.00 0.00 C ATOM 651 CG TYR A 44 -2.962 -22.926 -0.511 1.00 0.00 C ATOM 652 CD1 TYR A 44 -1.871 -23.787 -0.495 1.00 0.00 C ATOM 653 CD2 TYR A 44 -3.883 -23.056 -1.543 1.00 0.00 C ATOM 654 CE1 TYR A 44 -1.702 -24.745 -1.475 1.00 0.00 C ATOM 655 CE2 TYR A 44 -3.723 -24.013 -2.527 1.00 0.00 C ATOM 656 CZ TYR A 44 -2.631 -24.854 -2.489 1.00 0.00 C ATOM 657 OH TYR A 44 -2.467 -25.809 -3.467 1.00 0.00 O ATOM 0 H TYR A 44 -3.369 -19.427 1.224 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.163 -21.348 1.215 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.264 -22.374 1.526 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.062 -21.326 0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.142 -23.705 0.298 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.739 -22.398 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.848 -25.405 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.449 -24.102 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.345 -26.093 -3.797 1.00 0.00 H new ATOM 667 N ALA A 45 -0.352 -21.153 -1.123 1.00 0.00 N ATOM 668 CA ALA A 45 0.236 -20.917 -2.436 1.00 0.00 C ATOM 669 C ALA A 45 0.180 -22.175 -3.296 1.00 0.00 C ATOM 670 O ALA A 45 0.678 -23.230 -2.903 1.00 0.00 O ATOM 671 CB ALA A 45 1.672 -20.437 -2.293 1.00 0.00 C ATOM 0 H ALA A 45 0.167 -21.810 -0.540 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.346 -20.142 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.098 -20.265 -3.281 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.690 -19.508 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.258 -21.194 -1.772 1.00 0.00 H new ATOM 677 N ALA A 46 -0.429 -22.057 -4.471 1.00 0.00 N ATOM 678 CA ALA A 46 -0.548 -23.184 -5.387 1.00 0.00 C ATOM 679 C ALA A 46 0.148 -22.891 -6.712 1.00 0.00 C ATOM 680 O ALA A 46 0.049 -21.787 -7.245 1.00 0.00 O ATOM 681 CB ALA A 46 -2.013 -23.521 -5.622 1.00 0.00 C ATOM 0 H ALA A 46 -0.848 -21.191 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.057 -24.044 -4.931 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.087 -24.365 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.483 -23.782 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.520 -22.658 -6.053 1.00 0.00 H new ATOM 687 N ALA A 47 0.854 -23.888 -7.237 1.00 0.00 N ATOM 688 CA ALA A 47 1.566 -23.737 -8.500 1.00 0.00 C ATOM 689 C ALA A 47 0.700 -24.179 -9.674 1.00 0.00 C ATOM 690 O ALA A 47 1.206 -24.686 -10.675 1.00 0.00 O ATOM 691 CB ALA A 47 2.864 -24.529 -8.472 1.00 0.00 C ATOM 0 H ALA A 47 0.948 -24.808 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 47 1.801 -22.681 -8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.385 -24.407 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.495 -24.164 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.643 -25.584 -8.312 1.00 0.00 H new ATOM 697 N ASP A 48 -0.608 -23.983 -9.546 1.00 0.00 N ATOM 698 CA ASP A 48 -1.545 -24.361 -10.597 1.00 0.00 C ATOM 699 C ASP A 48 -2.868 -23.618 -10.439 1.00 0.00 C ATOM 700 O ASP A 48 -3.303 -23.335 -9.323 1.00 0.00 O ATOM 701 CB ASP A 48 -1.788 -25.871 -10.575 1.00 0.00 C ATOM 702 CG ASP A 48 -2.430 -26.373 -11.853 1.00 0.00 C ATOM 703 OD1 ASP A 48 -3.469 -25.810 -12.256 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.893 -27.329 -12.451 1.00 0.00 O ATOM 0 H ASP A 48 -1.043 -23.564 -8.724 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.107 -24.086 -11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.840 -26.386 -10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.427 -26.121 -9.728 1.00 0.00 H new ATOM 709 N SER A 49 -3.502 -23.303 -11.564 1.00 0.00 N ATOM 710 CA SER A 49 -4.773 -22.588 -11.551 1.00 0.00 C ATOM 711 C SER A 49 -5.868 -23.439 -10.914 1.00 0.00 C ATOM 712 O SER A 49 -6.721 -22.930 -10.187 1.00 0.00 O ATOM 713 CB SER A 49 -5.178 -22.197 -12.973 1.00 0.00 C ATOM 714 OG SER A 49 -6.424 -21.524 -12.982 1.00 0.00 O ATOM 0 H SER A 49 -3.156 -23.532 -12.496 1.00 0.00 H new ATOM 0 HA SER A 49 -4.647 -21.684 -10.956 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.412 -21.556 -13.409 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.239 -23.090 -13.595 1.00 0.00 H new ATOM 0 HG SER A 49 -6.659 -21.284 -13.902 1.00 0.00 H new ATOM 720 N SER A 50 -5.837 -24.738 -11.193 1.00 0.00 N ATOM 721 CA SER A 50 -6.828 -25.661 -10.652 1.00 0.00 C ATOM 722 C SER A 50 -6.665 -25.809 -9.143 1.00 0.00 C ATOM 723 O SER A 50 -7.632 -25.698 -8.389 1.00 0.00 O ATOM 724 CB SER A 50 -6.705 -27.028 -11.327 1.00 0.00 C ATOM 725 OG SER A 50 -6.661 -26.899 -12.737 1.00 0.00 O ATOM 0 H SER A 50 -5.136 -25.175 -11.791 1.00 0.00 H new ATOM 0 HA SER A 50 -7.818 -25.252 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.803 -27.530 -10.976 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.550 -27.655 -11.042 1.00 0.00 H new ATOM 0 HG SER A 50 -6.581 -27.787 -13.144 1.00 0.00 H new ATOM 731 N SER A 51 -5.434 -26.061 -8.709 1.00 0.00 N ATOM 732 CA SER A 51 -5.143 -26.229 -7.290 1.00 0.00 C ATOM 733 C SER A 51 -5.792 -25.119 -6.467 1.00 0.00 C ATOM 734 O SER A 51 -6.322 -25.363 -5.382 1.00 0.00 O ATOM 735 CB SER A 51 -3.632 -26.236 -7.055 1.00 0.00 C ATOM 736 OG SER A 51 -3.044 -27.426 -7.553 1.00 0.00 O ATOM 0 H SER A 51 -4.622 -26.153 -9.320 1.00 0.00 H new ATOM 0 HA SER A 51 -5.558 -27.185 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.181 -25.372 -7.543 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.426 -26.144 -5.989 1.00 0.00 H new ATOM 0 HG SER A 51 -2.077 -27.405 -7.392 1.00 0.00 H new ATOM 742 N LEU A 52 -5.746 -23.900 -6.991 1.00 0.00 N ATOM 743 CA LEU A 52 -6.329 -22.751 -6.307 1.00 0.00 C ATOM 744 C LEU A 52 -7.851 -22.776 -6.399 1.00 0.00 C ATOM 745 O LEU A 52 -8.546 -22.356 -5.475 1.00 0.00 O ATOM 746 CB LEU A 52 -5.792 -21.449 -6.906 1.00 0.00 C ATOM 747 CG LEU A 52 -6.206 -20.161 -6.193 1.00 0.00 C ATOM 748 CD1 LEU A 52 -5.373 -19.955 -4.937 1.00 0.00 C ATOM 749 CD2 LEU A 52 -6.070 -18.968 -7.127 1.00 0.00 C ATOM 0 H LEU A 52 -5.311 -23.681 -7.887 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.046 -22.804 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.703 -21.500 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.120 -21.388 -7.944 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.252 -20.250 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.682 -19.034 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.521 -20.797 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.319 -19.887 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.369 -18.060 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.033 -18.876 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.710 -19.112 -7.997 1.00 0.00 H new ATOM 761 N ASN A 53 -8.362 -23.275 -7.520 1.00 0.00 N ATOM 762 CA ASN A 53 -9.803 -23.357 -7.733 1.00 0.00 C ATOM 763 C ASN A 53 -10.440 -24.347 -6.763 1.00 0.00 C ATOM 764 O ASN A 53 -11.471 -24.062 -6.154 1.00 0.00 O ATOM 765 CB ASN A 53 -10.104 -23.773 -9.174 1.00 0.00 C ATOM 766 CG ASN A 53 -10.166 -22.586 -10.117 1.00 0.00 C ATOM 767 OD1 ASN A 53 -9.456 -22.539 -11.121 1.00 0.00 O ATOM 768 ND2 ASN A 53 -11.018 -21.620 -9.796 1.00 0.00 N ATOM 0 H ASN A 53 -7.800 -23.628 -8.295 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.229 -22.370 -7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.336 -24.467 -9.517 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.053 -24.308 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.103 -20.797 -10.392 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.587 -21.701 -8.954 1.00 0.00 H new ATOM 775 N LYS A 54 -9.818 -25.513 -6.623 1.00 0.00 N ATOM 776 CA LYS A 54 -10.322 -26.547 -5.726 1.00 0.00 C ATOM 777 C LYS A 54 -10.327 -26.058 -4.281 1.00 0.00 C ATOM 778 O LYS A 54 -11.122 -26.519 -3.462 1.00 0.00 O ATOM 779 CB LYS A 54 -9.470 -27.813 -5.844 1.00 0.00 C ATOM 780 CG LYS A 54 -8.276 -27.832 -4.906 1.00 0.00 C ATOM 781 CD LYS A 54 -8.618 -28.494 -3.581 1.00 0.00 C ATOM 782 CE LYS A 54 -8.350 -29.991 -3.621 1.00 0.00 C ATOM 783 NZ LYS A 54 -9.536 -30.754 -4.100 1.00 0.00 N ATOM 0 H LYS A 54 -8.964 -25.766 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.347 -26.778 -6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.095 -28.682 -5.640 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.116 -27.909 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.450 -28.365 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.936 -26.812 -4.727 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.031 -28.039 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.667 -28.317 -3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.501 -30.191 -4.275 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.073 -30.337 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.470 -31.739 -3.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.403 -30.322 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.565 -30.734 -5.139 1.00 0.00 H new ATOM 797 N HIS A 55 -9.435 -25.121 -3.975 1.00 0.00 N ATOM 798 CA HIS A 55 -9.339 -24.568 -2.629 1.00 0.00 C ATOM 799 C HIS A 55 -10.480 -23.592 -2.359 1.00 0.00 C ATOM 800 O HIS A 55 -11.044 -23.565 -1.264 1.00 0.00 O ATOM 801 CB HIS A 55 -7.995 -23.864 -2.439 1.00 0.00 C ATOM 802 CG HIS A 55 -7.880 -23.134 -1.136 1.00 0.00 C ATOM 803 ND1 HIS A 55 -7.482 -23.744 0.035 1.00 0.00 N ATOM 804 CD2 HIS A 55 -8.111 -21.838 -0.823 1.00 0.00 C ATOM 805 CE1 HIS A 55 -7.475 -22.855 1.012 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.853 -21.690 0.517 1.00 0.00 N ATOM 0 H HIS A 55 -8.769 -24.729 -4.641 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.413 -25.392 -1.919 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -7.195 -24.602 -2.505 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.845 -23.158 -3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.438 -21.064 -1.501 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.206 -23.048 2.040 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.939 -20.821 1.045 1.00 0.00 H new ATOM 814 N LEU A 56 -10.816 -22.790 -3.364 1.00 0.00 N ATOM 815 CA LEU A 56 -11.890 -21.811 -3.236 1.00 0.00 C ATOM 816 C LEU A 56 -13.206 -22.491 -2.869 1.00 0.00 C ATOM 817 O LEU A 56 -14.119 -21.855 -2.343 1.00 0.00 O ATOM 818 CB LEU A 56 -12.054 -21.030 -4.541 1.00 0.00 C ATOM 819 CG LEU A 56 -10.980 -19.981 -4.834 1.00 0.00 C ATOM 820 CD1 LEU A 56 -11.222 -19.334 -6.189 1.00 0.00 C ATOM 821 CD2 LEU A 56 -10.949 -18.928 -3.736 1.00 0.00 C ATOM 0 H LEU A 56 -10.360 -22.799 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.624 -21.119 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.074 -21.741 -5.367 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.024 -20.533 -4.525 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.011 -20.479 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.448 -18.590 -6.381 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.193 -20.097 -6.967 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.199 -18.850 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.179 -18.190 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.919 -18.434 -3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.727 -19.404 -2.781 1.00 0.00 H new ATOM 833 N ARG A 57 -13.293 -23.788 -3.147 1.00 0.00 N ATOM 834 CA ARG A 57 -14.496 -24.554 -2.845 1.00 0.00 C ATOM 835 C ARG A 57 -14.799 -24.524 -1.350 1.00 0.00 C ATOM 836 O ARG A 57 -15.859 -24.058 -0.931 1.00 0.00 O ATOM 837 CB ARG A 57 -14.336 -26.001 -3.314 1.00 0.00 C ATOM 838 CG ARG A 57 -14.716 -26.215 -4.770 1.00 0.00 C ATOM 839 CD ARG A 57 -14.403 -27.631 -5.226 1.00 0.00 C ATOM 840 NE ARG A 57 -15.470 -28.566 -4.880 1.00 0.00 N ATOM 841 CZ ARG A 57 -15.652 -29.731 -5.491 1.00 0.00 C ATOM 842 NH1 ARG A 57 -14.842 -30.103 -6.473 1.00 0.00 N ATOM 843 NH2 ARG A 57 -16.647 -30.528 -5.120 1.00 0.00 N ATOM 0 H ARG A 57 -12.545 -24.330 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.330 -24.097 -3.377 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.300 -26.309 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.951 -26.647 -2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.779 -26.016 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.178 -25.503 -5.396 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.250 -27.639 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.470 -27.961 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.110 -28.310 -4.128 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.076 -29.494 -6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.985 -30.998 -6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.272 -30.246 -4.365 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.786 -31.423 -5.590 1.00 0.00 H new ATOM 857 N ILE A 58 -13.862 -25.023 -0.551 1.00 0.00 N ATOM 858 CA ILE A 58 -14.029 -25.053 0.897 1.00 0.00 C ATOM 859 C ILE A 58 -14.768 -23.814 1.390 1.00 0.00 C ATOM 860 O ILE A 58 -15.634 -23.900 2.262 1.00 0.00 O ATOM 861 CB ILE A 58 -12.671 -25.148 1.618 1.00 0.00 C ATOM 862 CG1 ILE A 58 -12.113 -23.749 1.888 1.00 0.00 C ATOM 863 CG2 ILE A 58 -11.689 -25.966 0.793 1.00 0.00 C ATOM 864 CD1 ILE A 58 -10.730 -23.758 2.500 1.00 0.00 C ATOM 0 H ILE A 58 -12.979 -25.412 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.617 -25.941 1.129 1.00 0.00 H new ATOM 0 HB ILE A 58 -12.818 -25.650 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.084 -23.191 0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.793 -23.218 2.554 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.734 -26.024 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.085 -26.971 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.543 -25.490 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.398 -22.733 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.757 -24.287 3.452 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.037 -24.260 1.825 1.00 0.00 H new ATOM 876 N HIS A 59 -14.423 -22.661 0.826 1.00 0.00 N ATOM 877 CA HIS A 59 -15.056 -21.403 1.206 1.00 0.00 C ATOM 878 C HIS A 59 -16.525 -21.388 0.794 1.00 0.00 C ATOM 879 O HIS A 59 -16.846 -21.348 -0.393 1.00 0.00 O ATOM 880 CB HIS A 59 -14.322 -20.224 0.566 1.00 0.00 C ATOM 881 CG HIS A 59 -12.891 -20.107 0.992 1.00 0.00 C ATOM 882 ND1 HIS A 59 -12.476 -19.285 2.018 1.00 0.00 N ATOM 883 CD2 HIS A 59 -11.776 -20.715 0.524 1.00 0.00 C ATOM 884 CE1 HIS A 59 -11.167 -19.392 2.163 1.00 0.00 C ATOM 885 NE2 HIS A 59 -10.718 -20.254 1.268 1.00 0.00 N ATOM 0 H HIS A 59 -13.708 -22.572 0.104 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.000 -21.310 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.362 -20.327 -0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.844 -19.301 0.818 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.727 -21.430 -0.284 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.566 -18.865 2.889 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -9.744 -20.532 1.149 1.00 0.00 H new ATOM 955 N PRO A 64 -28.807 -15.972 2.784 1.00 0.00 N ATOM 956 CA PRO A 64 -30.109 -16.365 3.330 1.00 0.00 C ATOM 957 C PRO A 64 -31.267 -15.937 2.434 1.00 0.00 C ATOM 958 O PRO A 64 -32.277 -16.633 2.332 1.00 0.00 O ATOM 959 CB PRO A 64 -30.169 -15.627 4.670 1.00 0.00 C ATOM 960 CG PRO A 64 -29.270 -14.452 4.497 1.00 0.00 C ATOM 961 CD PRO A 64 -28.171 -14.904 3.575 1.00 0.00 C ATOM 0 HA PRO A 64 -30.204 -17.447 3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -31.187 -15.315 4.905 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -29.834 -16.264 5.488 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -29.811 -13.606 4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -28.866 -14.125 5.455 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -27.818 -14.090 2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -27.308 -15.274 4.129 1.00 0.00 H new ATOM 969 N PHE A 65 -31.113 -14.787 1.786 1.00 0.00 N ATOM 970 CA PHE A 65 -32.146 -14.265 0.899 1.00 0.00 C ATOM 971 C PHE A 65 -32.089 -14.950 -0.463 1.00 0.00 C ATOM 972 O PHE A 65 -31.032 -15.025 -1.090 1.00 0.00 O ATOM 973 CB PHE A 65 -31.987 -12.753 0.729 1.00 0.00 C ATOM 974 CG PHE A 65 -32.095 -11.991 2.019 1.00 0.00 C ATOM 975 CD1 PHE A 65 -33.332 -11.740 2.591 1.00 0.00 C ATOM 976 CD2 PHE A 65 -30.958 -11.525 2.661 1.00 0.00 C ATOM 977 CE1 PHE A 65 -33.433 -11.038 3.777 1.00 0.00 C ATOM 978 CE2 PHE A 65 -31.053 -10.823 3.847 1.00 0.00 C ATOM 979 CZ PHE A 65 -32.293 -10.580 4.407 1.00 0.00 C ATOM 0 H PHE A 65 -30.283 -14.199 1.859 1.00 0.00 H new ATOM 0 HA PHE A 65 -33.116 -14.472 1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -31.018 -12.546 0.274 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -32.748 -12.391 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -34.227 -12.097 2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -29.986 -11.713 2.229 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -34.403 -10.848 4.211 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -30.159 -10.464 4.336 1.00 0.00 H new ATOM 0 HZ PHE A 65 -32.370 -10.033 5.335 1.00 0.00 H new ATOM 989 N LYS A 66 -33.234 -15.449 -0.916 1.00 0.00 N ATOM 990 CA LYS A 66 -33.318 -16.127 -2.204 1.00 0.00 C ATOM 991 C LYS A 66 -34.648 -15.833 -2.889 1.00 0.00 C ATOM 992 O LYS A 66 -35.706 -15.879 -2.260 1.00 0.00 O ATOM 993 CB LYS A 66 -33.149 -17.637 -2.021 1.00 0.00 C ATOM 994 CG LYS A 66 -31.976 -18.015 -1.134 1.00 0.00 C ATOM 995 CD LYS A 66 -31.418 -19.381 -1.498 1.00 0.00 C ATOM 996 CE LYS A 66 -30.321 -19.810 -0.536 1.00 0.00 C ATOM 997 NZ LYS A 66 -28.980 -19.333 -0.975 1.00 0.00 N ATOM 0 H LYS A 66 -34.118 -15.396 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 66 -32.514 -15.751 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -34.064 -18.047 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -33.018 -18.101 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -31.191 -17.264 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -32.293 -18.017 -0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -32.221 -20.118 -1.487 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -31.023 -19.355 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -30.537 -19.420 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -30.312 -20.897 -0.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -28.248 -19.744 -0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -28.812 -19.626 -1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -28.943 -18.296 -0.912 1.00 0.00 H new ATOM 1011 N CYS A 67 -34.589 -15.532 -4.182 1.00 0.00 N ATOM 1012 CA CYS A 67 -35.789 -15.232 -4.954 1.00 0.00 C ATOM 1013 C CYS A 67 -36.681 -16.464 -5.075 1.00 0.00 C ATOM 1014 O CYS A 67 -36.200 -17.566 -5.339 1.00 0.00 O ATOM 1015 CB CYS A 67 -35.412 -14.723 -6.346 1.00 0.00 C ATOM 1016 SG CYS A 67 -36.821 -14.098 -7.317 1.00 0.00 S ATOM 0 H CYS A 67 -33.722 -15.489 -4.718 1.00 0.00 H new ATOM 0 HA CYS A 67 -36.343 -14.454 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -34.674 -13.927 -6.243 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -34.933 -15.531 -6.899 1.00 0.00 H new ATOM 0 HG CYS A 67 -36.729 -12.806 -7.433 1.00 0.00 H new ATOM 1021 N GLN A 68 -37.981 -16.269 -4.881 1.00 0.00 N ATOM 1022 CA GLN A 68 -38.939 -17.365 -4.969 1.00 0.00 C ATOM 1023 C GLN A 68 -39.141 -17.796 -6.417 1.00 0.00 C ATOM 1024 O GLN A 68 -39.157 -18.989 -6.723 1.00 0.00 O ATOM 1025 CB GLN A 68 -40.278 -16.949 -4.356 1.00 0.00 C ATOM 1026 CG GLN A 68 -40.290 -16.988 -2.836 1.00 0.00 C ATOM 1027 CD GLN A 68 -41.534 -16.356 -2.246 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -42.571 -16.266 -2.905 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -41.439 -15.913 -0.998 1.00 0.00 N ATOM 0 H GLN A 68 -38.395 -15.363 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 68 -38.539 -18.211 -4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -40.522 -15.940 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -41.061 -17.606 -4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -40.220 -18.023 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -39.409 -16.470 -2.456 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -40.560 -16.008 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -42.245 -15.478 -0.549 1.00 0.00 H new ATOM 1038 N ILE A 69 -39.297 -16.819 -7.304 1.00 0.00 N ATOM 1039 CA ILE A 69 -39.497 -17.099 -8.721 1.00 0.00 C ATOM 1040 C ILE A 69 -38.240 -17.693 -9.347 1.00 0.00 C ATOM 1041 O ILE A 69 -38.292 -18.735 -10.001 1.00 0.00 O ATOM 1042 CB ILE A 69 -39.891 -15.828 -9.495 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -41.307 -15.390 -9.114 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -39.792 -16.068 -10.994 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -41.602 -13.944 -9.444 1.00 0.00 C ATOM 0 H ILE A 69 -39.289 -15.827 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 69 -40.310 -17.822 -8.788 1.00 0.00 H new ATOM 0 HB ILE A 69 -39.199 -15.029 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -42.026 -16.026 -9.630 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -41.452 -15.547 -8.045 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -40.074 -15.160 -11.527 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -38.768 -16.338 -11.252 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -40.463 -16.879 -11.278 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -42.623 -13.704 -9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -40.906 -13.299 -8.907 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -41.490 -13.785 -10.517 1.00 0.00 H new ATOM 1057 N CYS A 70 -37.111 -17.025 -9.141 1.00 0.00 N ATOM 1058 CA CYS A 70 -35.839 -17.486 -9.684 1.00 0.00 C ATOM 1059 C CYS A 70 -34.965 -18.087 -8.587 1.00 0.00 C ATOM 1060 O CYS A 70 -35.028 -17.692 -7.422 1.00 0.00 O ATOM 1061 CB CYS A 70 -35.101 -16.331 -10.363 1.00 0.00 C ATOM 1062 SG CYS A 70 -36.199 -15.082 -11.107 1.00 0.00 S ATOM 0 H CYS A 70 -37.051 -16.162 -8.601 1.00 0.00 H new ATOM 0 HA CYS A 70 -36.048 -18.259 -10.423 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -34.458 -15.844 -9.630 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -34.450 -16.735 -11.138 1.00 0.00 H new ATOM 0 HG CYS A 70 -35.658 -13.905 -10.992 1.00 0.00 H new ATOM 1067 N PRO A 71 -34.129 -19.065 -8.965 1.00 0.00 N ATOM 1068 CA PRO A 71 -33.226 -19.741 -8.029 1.00 0.00 C ATOM 1069 C PRO A 71 -32.100 -18.831 -7.550 1.00 0.00 C ATOM 1070 O PRO A 71 -31.228 -19.253 -6.790 1.00 0.00 O ATOM 1071 CB PRO A 71 -32.662 -20.900 -8.854 1.00 0.00 C ATOM 1072 CG PRO A 71 -32.768 -20.445 -10.269 1.00 0.00 C ATOM 1073 CD PRO A 71 -34.001 -19.587 -10.336 1.00 0.00 C ATOM 0 HA PRO A 71 -33.742 -20.057 -7.122 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -31.628 -21.112 -8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -33.229 -21.816 -8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -31.883 -19.881 -10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -32.846 -21.295 -10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -33.892 -18.783 -11.064 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -34.877 -20.165 -10.629 1.00 0.00 H new ATOM 1081 N TYR A 72 -32.125 -17.581 -7.999 1.00 0.00 N ATOM 1082 CA TYR A 72 -31.105 -16.611 -7.618 1.00 0.00 C ATOM 1083 C TYR A 72 -30.992 -16.508 -6.100 1.00 0.00 C ATOM 1084 O TYR A 72 -31.853 -16.995 -5.368 1.00 0.00 O ATOM 1085 CB TYR A 72 -31.428 -15.239 -8.211 1.00 0.00 C ATOM 1086 CG TYR A 72 -30.569 -14.124 -7.661 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -29.228 -14.018 -8.008 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -31.098 -13.176 -6.794 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -28.438 -13.001 -7.507 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -30.316 -12.154 -6.289 1.00 0.00 C ATOM 1091 CZ TYR A 72 -28.987 -12.071 -6.648 1.00 0.00 C ATOM 1092 OH TYR A 72 -28.205 -11.056 -6.147 1.00 0.00 O ATOM 0 H TYR A 72 -32.841 -17.216 -8.627 1.00 0.00 H new ATOM 0 HA TYR A 72 -30.149 -16.953 -8.013 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -31.304 -15.282 -9.293 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -32.476 -15.007 -8.019 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -28.795 -14.743 -8.681 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -32.138 -13.239 -6.510 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -27.397 -12.934 -7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -30.743 -11.425 -5.617 1.00 0.00 H new ATOM 0 HH TYR A 72 -28.761 -10.266 -5.982 1.00 0.00 H new ATOM 1102 N ALA A 73 -29.923 -15.869 -5.635 1.00 0.00 N ATOM 1103 CA ALA A 73 -29.698 -15.698 -4.205 1.00 0.00 C ATOM 1104 C ALA A 73 -28.715 -14.563 -3.936 1.00 0.00 C ATOM 1105 O ALA A 73 -27.767 -14.357 -4.695 1.00 0.00 O ATOM 1106 CB ALA A 73 -29.190 -16.995 -3.592 1.00 0.00 C ATOM 0 H ALA A 73 -29.200 -15.462 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 73 -30.649 -15.438 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -29.026 -16.853 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -29.928 -17.783 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -28.252 -17.279 -4.068 1.00 0.00 H new ATOM 1112 N SER A 74 -28.947 -13.830 -2.853 1.00 0.00 N ATOM 1113 CA SER A 74 -28.085 -12.712 -2.487 1.00 0.00 C ATOM 1114 C SER A 74 -27.813 -12.705 -0.985 1.00 0.00 C ATOM 1115 O SER A 74 -28.333 -13.540 -0.245 1.00 0.00 O ATOM 1116 CB SER A 74 -28.724 -11.388 -2.907 1.00 0.00 C ATOM 1117 OG SER A 74 -29.805 -11.050 -2.054 1.00 0.00 O ATOM 0 H SER A 74 -29.725 -13.990 -2.213 1.00 0.00 H new ATOM 0 HA SER A 74 -27.136 -12.831 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 74 -27.976 -10.596 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.077 -11.461 -3.936 1.00 0.00 H new ATOM 0 HG SER A 74 -29.570 -10.258 -1.526 1.00 0.00 H new ATOM 1123 N ARG A 75 -26.993 -11.757 -0.543 1.00 0.00 N ATOM 1124 CA ARG A 75 -26.651 -11.641 0.869 1.00 0.00 C ATOM 1125 C ARG A 75 -27.462 -10.535 1.537 1.00 0.00 C ATOM 1126 O ARG A 75 -27.945 -10.695 2.657 1.00 0.00 O ATOM 1127 CB ARG A 75 -25.156 -11.360 1.031 1.00 0.00 C ATOM 1128 CG ARG A 75 -24.271 -12.545 0.681 1.00 0.00 C ATOM 1129 CD ARG A 75 -23.859 -12.519 -0.783 1.00 0.00 C ATOM 1130 NE ARG A 75 -22.741 -13.419 -1.052 1.00 0.00 N ATOM 1131 CZ ARG A 75 -21.505 -13.208 -0.613 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -21.231 -12.133 0.113 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -20.540 -14.073 -0.900 1.00 0.00 N ATOM 0 H ARG A 75 -26.553 -11.059 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 75 -26.892 -12.587 1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -24.883 -10.515 0.399 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -24.960 -11.063 2.061 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -23.381 -12.535 1.311 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -24.802 -13.473 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -24.709 -12.801 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -23.582 -11.503 -1.064 1.00 0.00 H new ATOM 0 HE ARG A 75 -22.919 -14.256 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -21.970 -11.466 0.336 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -20.281 -11.973 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.747 -14.901 -1.458 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.592 -13.910 -0.562 1.00 0.00 H new ATOM 1147 N ASN A 76 -27.608 -9.412 0.840 1.00 0.00 N ATOM 1148 CA ASN A 76 -28.360 -8.279 1.366 1.00 0.00 C ATOM 1149 C ASN A 76 -29.774 -8.251 0.793 1.00 0.00 C ATOM 1150 O ASN A 76 -29.976 -8.477 -0.401 1.00 0.00 O ATOM 1151 CB ASN A 76 -27.641 -6.968 1.041 1.00 0.00 C ATOM 1152 CG ASN A 76 -26.447 -6.725 1.944 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -26.371 -7.262 3.049 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -25.507 -5.912 1.476 1.00 0.00 N ATOM 0 H ASN A 76 -27.216 -9.263 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 76 -28.427 -8.391 2.448 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -27.310 -6.986 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -28.342 -6.139 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -24.680 -5.711 2.039 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -25.612 -5.489 0.554 1.00 0.00 H new ATOM 1161 N SER A 77 -30.750 -7.973 1.651 1.00 0.00 N ATOM 1162 CA SER A 77 -32.145 -7.919 1.232 1.00 0.00 C ATOM 1163 C SER A 77 -32.344 -6.871 0.141 1.00 0.00 C ATOM 1164 O SER A 77 -33.372 -6.851 -0.535 1.00 0.00 O ATOM 1165 CB SER A 77 -33.047 -7.606 2.427 1.00 0.00 C ATOM 1166 OG SER A 77 -32.414 -6.709 3.323 1.00 0.00 O ATOM 0 H SER A 77 -30.600 -7.782 2.642 1.00 0.00 H new ATOM 0 HA SER A 77 -32.416 -8.895 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 77 -33.984 -7.173 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 77 -33.298 -8.529 2.949 1.00 0.00 H new ATOM 0 HG SER A 77 -33.012 -6.524 4.077 1.00 0.00 H new ATOM 1172 N SER A 78 -31.353 -6.001 -0.023 1.00 0.00 N ATOM 1173 CA SER A 78 -31.419 -4.947 -1.029 1.00 0.00 C ATOM 1174 C SER A 78 -31.145 -5.506 -2.421 1.00 0.00 C ATOM 1175 O SER A 78 -31.816 -5.148 -3.388 1.00 0.00 O ATOM 1176 CB SER A 78 -30.414 -3.840 -0.704 1.00 0.00 C ATOM 1177 OG SER A 78 -30.749 -3.186 0.507 1.00 0.00 O ATOM 0 H SER A 78 -30.495 -6.005 0.528 1.00 0.00 H new ATOM 0 HA SER A 78 -32.426 -4.529 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 78 -29.413 -4.265 -0.627 1.00 0.00 H new ATOM 0 HB3 SER A 78 -30.391 -3.115 -1.518 1.00 0.00 H new ATOM 0 HG SER A 78 -30.091 -2.484 0.693 1.00 0.00 H new ATOM 1183 N GLN A 79 -30.154 -6.387 -2.514 1.00 0.00 N ATOM 1184 CA GLN A 79 -29.790 -6.996 -3.788 1.00 0.00 C ATOM 1185 C GLN A 79 -30.984 -7.711 -4.410 1.00 0.00 C ATOM 1186 O GLN A 79 -31.215 -7.622 -5.617 1.00 0.00 O ATOM 1187 CB GLN A 79 -28.635 -7.980 -3.595 1.00 0.00 C ATOM 1188 CG GLN A 79 -27.342 -7.320 -3.144 1.00 0.00 C ATOM 1189 CD GLN A 79 -26.179 -8.291 -3.090 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -25.954 -8.952 -2.076 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -25.432 -8.382 -4.184 1.00 0.00 N ATOM 0 H GLN A 79 -29.589 -6.695 -1.723 1.00 0.00 H new ATOM 0 HA GLN A 79 -29.473 -6.202 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -28.926 -8.729 -2.859 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -28.457 -8.506 -4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -27.098 -6.504 -3.825 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -27.488 -6.879 -2.158 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -25.655 -7.815 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -24.635 -9.019 -4.206 1.00 0.00 H new ATOM 1200 N LEU A 80 -31.741 -8.420 -3.580 1.00 0.00 N ATOM 1201 CA LEU A 80 -32.913 -9.152 -4.049 1.00 0.00 C ATOM 1202 C LEU A 80 -33.989 -8.193 -4.550 1.00 0.00 C ATOM 1203 O LEU A 80 -34.559 -8.388 -5.624 1.00 0.00 O ATOM 1204 CB LEU A 80 -33.475 -10.027 -2.928 1.00 0.00 C ATOM 1205 CG LEU A 80 -34.692 -10.879 -3.288 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -34.306 -11.971 -4.274 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -35.309 -11.484 -2.035 1.00 0.00 C ATOM 0 H LEU A 80 -31.564 -8.504 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 80 -32.605 -9.789 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -32.683 -10.690 -2.580 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -33.743 -9.383 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 80 -35.434 -10.236 -3.761 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -35.185 -12.567 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -33.911 -11.517 -5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -33.545 -12.612 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -36.174 -12.087 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -34.573 -12.113 -1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -35.623 -10.686 -1.362 1.00 0.00 H new ATOM 1219 N THR A 81 -34.261 -7.155 -3.765 1.00 0.00 N ATOM 1220 CA THR A 81 -35.267 -6.166 -4.128 1.00 0.00 C ATOM 1221 C THR A 81 -35.047 -5.653 -5.547 1.00 0.00 C ATOM 1222 O THR A 81 -35.973 -5.621 -6.358 1.00 0.00 O ATOM 1223 CB THR A 81 -35.258 -4.971 -3.156 1.00 0.00 C ATOM 1224 OG1 THR A 81 -35.306 -5.440 -1.804 1.00 0.00 O ATOM 1225 CG2 THR A 81 -36.438 -4.048 -3.420 1.00 0.00 C ATOM 0 H THR A 81 -33.798 -6.978 -2.874 1.00 0.00 H new ATOM 0 HA THR A 81 -36.235 -6.665 -4.070 1.00 0.00 H new ATOM 0 HB THR A 81 -34.337 -4.410 -3.314 1.00 0.00 H new ATOM 0 HG1 THR A 81 -34.425 -5.781 -1.545 1.00 0.00 H new ATOM 0 HG21 THR A 81 -36.410 -3.212 -2.721 1.00 0.00 H new ATOM 0 HG22 THR A 81 -36.383 -3.670 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 81 -37.368 -4.600 -3.288 1.00 0.00 H new ATOM 1233 N VAL A 82 -33.814 -5.252 -5.841 1.00 0.00 N ATOM 1234 CA VAL A 82 -33.472 -4.742 -7.164 1.00 0.00 C ATOM 1235 C VAL A 82 -33.632 -5.821 -8.228 1.00 0.00 C ATOM 1236 O VAL A 82 -34.047 -5.542 -9.353 1.00 0.00 O ATOM 1237 CB VAL A 82 -32.027 -4.208 -7.203 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -31.686 -3.690 -8.592 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -31.832 -3.121 -6.156 1.00 0.00 C ATOM 0 H VAL A 82 -33.036 -5.270 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 82 -34.160 -3.924 -7.375 1.00 0.00 H new ATOM 0 HB VAL A 82 -31.348 -5.029 -6.971 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -30.662 -3.317 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.783 -4.499 -9.316 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -32.368 -2.882 -8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -30.806 -2.755 -6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -32.519 -2.298 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -32.031 -3.530 -5.165 1.00 0.00 H new ATOM 1249 N HIS A 83 -33.302 -7.056 -7.864 1.00 0.00 N ATOM 1250 CA HIS A 83 -33.410 -8.180 -8.788 1.00 0.00 C ATOM 1251 C HIS A 83 -34.861 -8.403 -9.204 1.00 0.00 C ATOM 1252 O HIS A 83 -35.170 -8.494 -10.393 1.00 0.00 O ATOM 1253 CB HIS A 83 -32.850 -9.450 -8.147 1.00 0.00 C ATOM 1254 CG HIS A 83 -33.341 -10.711 -8.788 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -32.612 -11.414 -9.724 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -34.497 -11.397 -8.623 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -33.297 -12.476 -10.107 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -34.445 -12.489 -9.454 1.00 0.00 N ATOM 0 H HIS A 83 -32.958 -7.304 -6.936 1.00 0.00 H new ATOM 0 HA HIS A 83 -32.827 -7.944 -9.678 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -31.762 -9.425 -8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -33.117 -9.462 -7.090 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -31.687 -11.154 -10.067 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -35.309 -11.134 -7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -32.974 -13.209 -10.831 1.00 0.00 H new ATOM 1266 N LEU A 84 -35.747 -8.492 -8.218 1.00 0.00 N ATOM 1267 CA LEU A 84 -37.166 -8.705 -8.482 1.00 0.00 C ATOM 1268 C LEU A 84 -37.668 -7.753 -9.563 1.00 0.00 C ATOM 1269 O LEU A 84 -38.271 -8.179 -10.548 1.00 0.00 O ATOM 1270 CB LEU A 84 -37.978 -8.512 -7.200 1.00 0.00 C ATOM 1271 CG LEU A 84 -37.920 -9.660 -6.191 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -38.331 -9.176 -4.808 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -38.809 -10.811 -6.641 1.00 0.00 C ATOM 0 H LEU A 84 -35.508 -8.420 -7.229 1.00 0.00 H new ATOM 0 HA LEU A 84 -37.295 -9.728 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -37.632 -7.604 -6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -39.020 -8.348 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 84 -36.893 -10.020 -6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -38.284 -10.006 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -37.655 -8.385 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -39.349 -8.789 -4.846 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -38.755 -11.619 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -39.839 -10.464 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -38.470 -11.175 -7.611 1.00 0.00 H new ATOM 1285 N ARG A 85 -37.413 -6.463 -9.373 1.00 0.00 N ATOM 1286 CA ARG A 85 -37.838 -5.451 -10.332 1.00 0.00 C ATOM 1287 C ARG A 85 -37.709 -5.968 -11.762 1.00 0.00 C ATOM 1288 O ARG A 85 -38.607 -5.783 -12.583 1.00 0.00 O ATOM 1289 CB ARG A 85 -37.009 -4.176 -10.162 1.00 0.00 C ATOM 1290 CG ARG A 85 -37.252 -3.463 -8.843 1.00 0.00 C ATOM 1291 CD ARG A 85 -36.163 -2.441 -8.553 1.00 0.00 C ATOM 1292 NE ARG A 85 -36.177 -2.008 -7.158 1.00 0.00 N ATOM 1293 CZ ARG A 85 -35.401 -1.041 -6.682 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -34.555 -0.409 -7.484 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -35.471 -0.703 -5.400 1.00 0.00 N ATOM 0 H ARG A 85 -36.914 -6.094 -8.564 1.00 0.00 H new ATOM 0 HA ARG A 85 -38.886 -5.223 -10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -35.951 -4.427 -10.240 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -37.235 -3.494 -10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -38.221 -2.965 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -37.291 -4.194 -8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -35.190 -2.871 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -36.295 -1.576 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 85 -36.817 -2.473 -6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -34.499 -0.665 -8.470 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -33.960 0.333 -7.115 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -36.121 -1.186 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -34.875 0.040 -5.035 1.00 0.00 H new ATOM 1309 N SER A 86 -36.585 -6.617 -12.051 1.00 0.00 N ATOM 1310 CA SER A 86 -36.336 -7.157 -13.383 1.00 0.00 C ATOM 1311 C SER A 86 -37.583 -7.843 -13.933 1.00 0.00 C ATOM 1312 O SER A 86 -38.005 -7.579 -15.059 1.00 0.00 O ATOM 1313 CB SER A 86 -35.171 -8.147 -13.344 1.00 0.00 C ATOM 1314 OG SER A 86 -34.708 -8.441 -14.651 1.00 0.00 O ATOM 0 H SER A 86 -35.833 -6.781 -11.382 1.00 0.00 H new ATOM 0 HA SER A 86 -36.078 -6.328 -14.042 1.00 0.00 H new ATOM 0 HB2 SER A 86 -34.356 -7.732 -12.751 1.00 0.00 H new ATOM 0 HB3 SER A 86 -35.487 -9.066 -12.851 1.00 0.00 H new ATOM 0 HG SER A 86 -33.962 -9.075 -14.599 1.00 0.00 H new ATOM 1320 N HIS A 87 -38.169 -8.725 -13.129 1.00 0.00 N ATOM 1321 CA HIS A 87 -39.368 -9.450 -13.534 1.00 0.00 C ATOM 1322 C HIS A 87 -40.495 -8.482 -13.885 1.00 0.00 C ATOM 1323 O HIS A 87 -41.273 -8.726 -14.808 1.00 0.00 O ATOM 1324 CB HIS A 87 -39.820 -10.394 -12.420 1.00 0.00 C ATOM 1325 CG HIS A 87 -38.687 -11.085 -11.725 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -38.485 -11.353 -10.414 1.00 0.00 N flip ATOM 1327 CD2 HIS A 87 -37.590 -11.589 -12.392 1.00 0.00 C flip ATOM 1328 CE1 HIS A 87 -37.282 -12.009 -10.313 1.00 0.00 C flip ATOM 1329 NE2 HIS A 87 -36.763 -12.139 -11.521 1.00 0.00 N flip ATOM 0 H HIS A 87 -37.833 -8.955 -12.194 1.00 0.00 H new ATOM 0 HA HIS A 87 -39.126 -10.036 -14.420 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -40.395 -9.829 -11.687 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -40.490 -11.144 -12.840 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -39.110 -11.113 -9.644 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -37.432 -11.541 -13.459 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -36.834 -12.361 -9.396 1.00 0.00 H new