USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 CYS SG : rot -124:sc= 0.886 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0249 X(o=-0.025,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 150:sc= 0 USER MOD Single : A 6 CYS SG : rot 75:sc= 0.238 USER MOD Single : A 7 SER OG : rot -60:sc= 1.22 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.0597 (180deg=-0.398) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.129) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -3.55 K(o=-3.6,f=-2.2!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.202 K(o=-0.2,f=-0.9) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0101 K(o=-0.01,f=-1.6!) USER MOD Single : A 47 MET CE :methyl 158:sc= -0.0525 (180deg=-0.772) USER MOD Single : A 49 MET CE :methyl -175:sc= -0.335 (180deg=-0.397) USER MOD Single : A 50 SER OG : rot -130:sc=-0.00468 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 110:sc= -2.29! USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 74:sc= 0.152 USER MOD Single : A 77 ASN : amide:sc= -2.41 K(o=-2.4,f=-3.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.6!) USER MOD Single : A 86 HIS : no HD1:sc= -4.25! C(o=-4.3!,f=-2.9!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl -152:sc= -0.0731 (180deg=-0.682) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl 151:sc= 0 (180deg=-0.601) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 172.111 -17.553 11.036 1.00 0.00 N ATOM 2 CA GLU A 1 172.299 -17.574 9.558 1.00 0.00 C ATOM 3 C GLU A 1 173.007 -16.312 9.072 1.00 0.00 C ATOM 4 O GLU A 1 172.970 -15.274 9.735 1.00 0.00 O ATOM 5 CB GLU A 1 170.929 -17.694 8.887 1.00 0.00 C ATOM 6 CG GLU A 1 170.935 -18.563 7.639 1.00 0.00 C ATOM 7 CD GLU A 1 169.698 -19.432 7.528 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.574 -20.391 8.319 1.00 0.00 O ATOM 9 OE2 GLU A 1 168.853 -19.153 6.652 1.00 0.00 O ATOM 0 H1 GLU A 1 171.627 -18.423 11.337 1.00 0.00 H new ATOM 0 H2 GLU A 1 173.038 -17.493 11.503 1.00 0.00 H new ATOM 0 H3 GLU A 1 171.536 -16.728 11.301 1.00 0.00 H new ATOM 0 HA GLU A 1 172.923 -18.428 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.218 -18.106 9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 1 170.574 -16.697 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 1 171.007 -17.926 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.821 -19.198 7.647 1.00 0.00 H new ATOM 18 N GLN A 2 173.643 -16.410 7.905 1.00 0.00 N ATOM 19 CA GLN A 2 174.356 -15.277 7.319 1.00 0.00 C ATOM 20 C GLN A 2 173.400 -14.120 7.037 1.00 0.00 C ATOM 21 O GLN A 2 173.714 -12.963 7.319 1.00 0.00 O ATOM 22 CB GLN A 2 175.060 -15.698 6.026 1.00 0.00 C ATOM 23 CG GLN A 2 176.049 -16.837 6.215 1.00 0.00 C ATOM 24 CD GLN A 2 176.036 -17.822 5.060 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.011 -17.937 4.319 1.00 0.00 O ATOM 26 NE2 GLN A 2 174.927 -18.540 4.899 1.00 0.00 N ATOM 0 H GLN A 2 173.679 -17.263 7.347 1.00 0.00 H new ATOM 0 HA GLN A 2 175.104 -14.942 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.310 -15.997 5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.585 -14.837 5.611 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.053 -16.427 6.326 1.00 0.00 H new ATOM 0 HG3 GLN A 2 175.817 -17.365 7.140 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.141 -18.414 5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 2 174.863 -19.217 4.138 1.00 0.00 H new ATOM 35 N LEU A 3 172.229 -14.445 6.487 1.00 0.00 N ATOM 36 CA LEU A 3 171.219 -13.436 6.175 1.00 0.00 C ATOM 37 C LEU A 3 170.697 -12.779 7.454 1.00 0.00 C ATOM 38 O LEU A 3 170.491 -11.565 7.498 1.00 0.00 O ATOM 39 CB LEU A 3 170.056 -14.061 5.395 1.00 0.00 C ATOM 40 CG LEU A 3 170.455 -14.883 4.163 1.00 0.00 C ATOM 41 CD1 LEU A 3 169.299 -15.767 3.715 1.00 0.00 C ATOM 42 CD2 LEU A 3 170.902 -13.969 3.031 1.00 0.00 C ATOM 0 H LEU A 3 171.958 -15.399 6.249 1.00 0.00 H new ATOM 0 HA LEU A 3 171.687 -12.671 5.556 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.491 -14.703 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 3 169.385 -13.264 5.077 1.00 0.00 H new ATOM 0 HG LEU A 3 171.293 -15.525 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 3 169.599 -16.343 2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 3 169.028 -16.448 4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 3 168.441 -15.144 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 3 171.181 -14.571 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 3 170.085 -13.300 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 3 171.760 -13.381 3.356 1.00 0.00 H new ATOM 54 N LYS A 4 170.493 -13.591 8.497 1.00 0.00 N ATOM 55 CA LYS A 4 170.004 -13.089 9.782 1.00 0.00 C ATOM 56 C LYS A 4 171.032 -12.168 10.442 1.00 0.00 C ATOM 57 O LYS A 4 170.666 -11.200 11.107 1.00 0.00 O ATOM 58 CB LYS A 4 169.667 -14.250 10.723 1.00 0.00 C ATOM 59 CG LYS A 4 168.444 -13.991 11.592 1.00 0.00 C ATOM 60 CD LYS A 4 168.783 -14.041 13.075 1.00 0.00 C ATOM 61 CE LYS A 4 169.150 -15.448 13.522 1.00 0.00 C ATOM 62 NZ LYS A 4 169.570 -15.489 14.953 1.00 0.00 N ATOM 0 H LYS A 4 170.659 -14.597 8.475 1.00 0.00 H new ATOM 0 HA LYS A 4 169.098 -12.514 9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 4 169.499 -15.150 10.131 1.00 0.00 H new ATOM 0 HB3 LYS A 4 170.525 -14.447 11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 4 168.025 -13.015 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 4 167.676 -14.732 11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.613 -13.366 13.281 1.00 0.00 H new ATOM 0 HD3 LYS A 4 167.931 -13.686 13.655 1.00 0.00 H new ATOM 0 HE2 LYS A 4 168.296 -16.109 13.376 1.00 0.00 H new ATOM 0 HE3 LYS A 4 169.958 -15.828 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 169.811 -16.466 15.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 170.401 -14.879 15.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 168.791 -15.151 15.553 1.00 0.00 H new ATOM 76 N CYS A 5 172.318 -12.472 10.254 1.00 0.00 N ATOM 77 CA CYS A 5 173.388 -11.659 10.831 1.00 0.00 C ATOM 78 C CYS A 5 173.416 -10.269 10.195 1.00 0.00 C ATOM 79 O CYS A 5 173.657 -9.270 10.875 1.00 0.00 O ATOM 80 CB CYS A 5 174.745 -12.346 10.647 1.00 0.00 C ATOM 81 SG CYS A 5 175.898 -12.061 12.010 1.00 0.00 S ATOM 0 H CYS A 5 172.642 -13.271 9.709 1.00 0.00 H new ATOM 0 HA CYS A 5 173.190 -11.550 11.897 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.587 -13.419 10.536 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.198 -11.993 9.721 1.00 0.00 H new ATOM 0 HG CYS A 5 176.688 -13.086 12.131 1.00 0.00 H new ATOM 87 N CYS A 6 173.163 -10.217 8.886 1.00 0.00 N ATOM 88 CA CYS A 6 173.151 -8.954 8.148 1.00 0.00 C ATOM 89 C CYS A 6 172.026 -8.039 8.631 1.00 0.00 C ATOM 90 O CYS A 6 172.198 -6.821 8.699 1.00 0.00 O ATOM 91 CB CYS A 6 172.998 -9.214 6.648 1.00 0.00 C ATOM 92 SG CYS A 6 174.422 -10.027 5.885 1.00 0.00 S ATOM 0 H CYS A 6 172.963 -11.038 8.314 1.00 0.00 H new ATOM 0 HA CYS A 6 174.102 -8.455 8.332 1.00 0.00 H new ATOM 0 HB2 CYS A 6 172.113 -9.830 6.486 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.823 -8.264 6.142 1.00 0.00 H new ATOM 0 HG CYS A 6 174.436 -11.283 6.220 1.00 0.00 H new ATOM 98 N SER A 7 170.873 -8.628 8.961 1.00 0.00 N ATOM 99 CA SER A 7 169.724 -7.856 9.434 1.00 0.00 C ATOM 100 C SER A 7 170.075 -7.058 10.690 1.00 0.00 C ATOM 101 O SER A 7 169.673 -5.903 10.823 1.00 0.00 O ATOM 102 CB SER A 7 168.524 -8.773 9.704 1.00 0.00 C ATOM 103 OG SER A 7 168.652 -9.449 10.946 1.00 0.00 O ATOM 0 H SER A 7 170.712 -9.634 8.909 1.00 0.00 H new ATOM 0 HA SER A 7 169.452 -7.152 8.648 1.00 0.00 H new ATOM 0 HB2 SER A 7 167.607 -8.183 9.703 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.435 -9.503 8.899 1.00 0.00 H new ATOM 0 HG SER A 7 169.467 -9.993 10.940 1.00 0.00 H new ATOM 109 N GLY A 8 170.830 -7.678 11.603 1.00 0.00 N ATOM 110 CA GLY A 8 171.225 -7.000 12.828 1.00 0.00 C ATOM 111 C GLY A 8 172.098 -5.791 12.554 1.00 0.00 C ATOM 112 O GLY A 8 171.870 -4.718 13.114 1.00 0.00 O ATOM 0 H GLY A 8 171.173 -8.635 11.514 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.334 -6.687 13.372 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.763 -7.697 13.470 1.00 0.00 H new ATOM 116 N ILE A 9 173.089 -5.962 11.678 1.00 0.00 N ATOM 117 CA ILE A 9 173.992 -4.872 11.316 1.00 0.00 C ATOM 118 C ILE A 9 173.221 -3.758 10.607 1.00 0.00 C ATOM 119 O ILE A 9 173.384 -2.579 10.925 1.00 0.00 O ATOM 120 CB ILE A 9 175.142 -5.358 10.405 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.863 -6.555 11.036 1.00 0.00 C ATOM 122 CG2 ILE A 9 176.125 -4.225 10.139 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.553 -7.447 10.026 1.00 0.00 C ATOM 0 H ILE A 9 173.286 -6.845 11.207 1.00 0.00 H new ATOM 0 HA ILE A 9 174.426 -4.491 12.240 1.00 0.00 H new ATOM 0 HB ILE A 9 174.715 -5.677 9.454 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.601 -6.189 11.750 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.142 -7.148 11.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.929 -4.584 9.496 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.607 -3.402 9.647 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.544 -3.877 11.083 1.00 0.00 H new ATOM 0 HD11 ILE A 9 177.042 -8.272 10.544 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.816 -7.842 9.327 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.298 -6.869 9.480 1.00 0.00 H new ATOM 135 N LEU A 10 172.367 -4.147 9.659 1.00 0.00 N ATOM 136 CA LEU A 10 171.551 -3.191 8.915 1.00 0.00 C ATOM 137 C LEU A 10 170.585 -2.462 9.852 1.00 0.00 C ATOM 138 O LEU A 10 170.303 -1.278 9.663 1.00 0.00 O ATOM 139 CB LEU A 10 170.773 -3.898 7.798 1.00 0.00 C ATOM 140 CG LEU A 10 171.372 -3.750 6.394 1.00 0.00 C ATOM 141 CD1 LEU A 10 171.010 -4.948 5.526 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.902 -2.453 5.745 1.00 0.00 C ATOM 0 H LEU A 10 172.224 -5.120 9.389 1.00 0.00 H new ATOM 0 HA LEU A 10 172.217 -2.456 8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.707 -4.959 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.754 -3.510 7.784 1.00 0.00 H new ATOM 0 HG LEU A 10 172.457 -3.713 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 10 171.445 -4.823 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.400 -5.858 5.981 1.00 0.00 H new ATOM 0 HD13 LEU A 10 169.926 -5.021 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.337 -2.366 4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.815 -2.459 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 10 171.217 -1.606 6.354 1.00 0.00 H new ATOM 154 N LYS A 11 170.081 -3.180 10.863 1.00 0.00 N ATOM 155 CA LYS A 11 169.147 -2.604 11.833 1.00 0.00 C ATOM 156 C LYS A 11 169.755 -1.393 12.544 1.00 0.00 C ATOM 157 O LYS A 11 169.029 -0.497 12.966 1.00 0.00 O ATOM 158 CB LYS A 11 168.726 -3.653 12.869 1.00 0.00 C ATOM 159 CG LYS A 11 167.247 -3.596 13.225 1.00 0.00 C ATOM 160 CD LYS A 11 166.943 -4.360 14.507 1.00 0.00 C ATOM 161 CE LYS A 11 167.176 -5.858 14.345 1.00 0.00 C ATOM 162 NZ LYS A 11 166.398 -6.430 13.208 1.00 0.00 N ATOM 0 H LYS A 11 170.306 -4.161 11.029 1.00 0.00 H new ATOM 0 HA LYS A 11 168.268 -2.273 11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.961 -4.646 12.485 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.315 -3.514 13.775 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.941 -2.556 13.340 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.660 -4.012 12.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 167.570 -3.980 15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 11 165.908 -4.183 14.798 1.00 0.00 H new ATOM 0 HE2 LYS A 11 168.238 -6.044 14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 11 166.898 -6.369 15.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 166.381 -7.467 13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 165.425 -6.065 13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 166.845 -6.158 12.309 1.00 0.00 H new ATOM 176 N GLU A 12 171.086 -1.366 12.664 1.00 0.00 N ATOM 177 CA GLU A 12 171.780 -0.250 13.314 1.00 0.00 C ATOM 178 C GLU A 12 171.464 1.069 12.613 1.00 0.00 C ATOM 179 O GLU A 12 171.332 2.107 13.266 1.00 0.00 O ATOM 180 CB GLU A 12 173.293 -0.494 13.321 1.00 0.00 C ATOM 181 CG GLU A 12 174.000 0.057 14.550 1.00 0.00 C ATOM 182 CD GLU A 12 175.207 0.906 14.196 1.00 0.00 C ATOM 183 OE1 GLU A 12 176.315 0.342 14.084 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.044 2.132 14.031 1.00 0.00 O ATOM 0 H GLU A 12 171.703 -2.102 12.321 1.00 0.00 H new ATOM 0 HA GLU A 12 171.428 -0.185 14.344 1.00 0.00 H new ATOM 0 HB2 GLU A 12 173.479 -1.566 13.257 1.00 0.00 H new ATOM 0 HB3 GLU A 12 173.728 -0.042 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 12 173.298 0.654 15.131 1.00 0.00 H new ATOM 0 HG3 GLU A 12 174.316 -0.771 15.185 1.00 0.00 H new ATOM 191 N MET A 13 171.332 1.022 11.285 1.00 0.00 N ATOM 192 CA MET A 13 171.013 2.215 10.502 1.00 0.00 C ATOM 193 C MET A 13 169.702 2.840 10.987 1.00 0.00 C ATOM 194 O MET A 13 169.572 4.061 11.036 1.00 0.00 O ATOM 195 CB MET A 13 170.908 1.877 9.010 1.00 0.00 C ATOM 196 CG MET A 13 172.147 1.204 8.441 1.00 0.00 C ATOM 197 SD MET A 13 173.589 2.287 8.445 1.00 0.00 S ATOM 198 CE MET A 13 174.893 1.113 8.798 1.00 0.00 C ATOM 0 H MET A 13 171.441 0.172 10.732 1.00 0.00 H new ATOM 0 HA MET A 13 171.821 2.933 10.640 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.049 1.224 8.855 1.00 0.00 H new ATOM 0 HB3 MET A 13 170.716 2.794 8.453 1.00 0.00 H new ATOM 0 HG2 MET A 13 172.368 0.308 9.022 1.00 0.00 H new ATOM 0 HG3 MET A 13 171.944 0.880 7.420 1.00 0.00 H new ATOM 0 HE1 MET A 13 175.851 1.632 8.833 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.703 0.637 9.760 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.921 0.354 8.016 1.00 0.00 H new ATOM 208 N PHE A 14 168.738 1.991 11.356 1.00 0.00 N ATOM 209 CA PHE A 14 167.444 2.463 11.851 1.00 0.00 C ATOM 210 C PHE A 14 167.296 2.230 13.363 1.00 0.00 C ATOM 211 O PHE A 14 166.205 2.389 13.915 1.00 0.00 O ATOM 212 CB PHE A 14 166.305 1.764 11.104 1.00 0.00 C ATOM 213 CG PHE A 14 165.251 2.709 10.600 1.00 0.00 C ATOM 214 CD1 PHE A 14 164.215 3.119 11.425 1.00 0.00 C ATOM 215 CD2 PHE A 14 165.295 3.187 9.300 1.00 0.00 C ATOM 216 CE1 PHE A 14 163.243 3.986 10.962 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.327 4.055 8.832 1.00 0.00 C ATOM 218 CZ PHE A 14 163.299 4.454 9.664 1.00 0.00 C ATOM 0 H PHE A 14 168.830 0.976 11.321 1.00 0.00 H new ATOM 0 HA PHE A 14 167.393 3.537 11.669 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.719 1.211 10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.840 1.034 11.767 1.00 0.00 H new ATOM 0 HD1 PHE A 14 164.167 2.757 12.441 1.00 0.00 H new ATOM 0 HD2 PHE A 14 166.096 2.877 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 14 162.441 4.297 11.615 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.374 4.421 7.817 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.540 5.131 9.300 1.00 0.00 H new ATOM 228 N ALA A 15 168.394 1.862 14.033 1.00 0.00 N ATOM 229 CA ALA A 15 168.371 1.618 15.478 1.00 0.00 C ATOM 230 C ALA A 15 168.712 2.884 16.272 1.00 0.00 C ATOM 231 O ALA A 15 168.950 2.818 17.481 1.00 0.00 O ATOM 232 CB ALA A 15 169.337 0.498 15.838 1.00 0.00 C ATOM 0 H ALA A 15 169.307 1.727 13.598 1.00 0.00 H new ATOM 0 HA ALA A 15 167.358 1.320 15.747 1.00 0.00 H new ATOM 0 HB1 ALA A 15 169.311 0.327 16.914 1.00 0.00 H new ATOM 0 HB2 ALA A 15 169.046 -0.415 15.318 1.00 0.00 H new ATOM 0 HB3 ALA A 15 170.347 0.779 15.540 1.00 0.00 H new ATOM 238 N LYS A 16 168.743 4.029 15.584 1.00 0.00 N ATOM 239 CA LYS A 16 169.061 5.316 16.208 1.00 0.00 C ATOM 240 C LYS A 16 170.562 5.437 16.495 1.00 0.00 C ATOM 241 O LYS A 16 170.972 6.159 17.406 1.00 0.00 O ATOM 242 CB LYS A 16 168.252 5.513 17.502 1.00 0.00 C ATOM 243 CG LYS A 16 167.523 6.848 17.573 1.00 0.00 C ATOM 244 CD LYS A 16 166.039 6.665 17.856 1.00 0.00 C ATOM 245 CE LYS A 16 165.251 6.400 16.580 1.00 0.00 C ATOM 246 NZ LYS A 16 165.119 4.942 16.291 1.00 0.00 N ATOM 0 H LYS A 16 168.549 4.090 14.584 1.00 0.00 H new ATOM 0 HA LYS A 16 168.785 6.101 15.504 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.524 4.707 17.591 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.924 5.431 18.356 1.00 0.00 H new ATOM 0 HG2 LYS A 16 167.969 7.465 18.353 1.00 0.00 H new ATOM 0 HG3 LYS A 16 167.651 7.383 16.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 165.900 5.835 18.549 1.00 0.00 H new ATOM 0 HD3 LYS A 16 165.649 7.557 18.346 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.259 6.842 16.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 165.745 6.892 15.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 164.439 4.802 15.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 166.045 4.558 16.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 164.781 4.449 17.142 1.00 0.00 H new ATOM 260 N LYS A 17 171.376 4.730 15.707 1.00 0.00 N ATOM 261 CA LYS A 17 172.830 4.762 15.873 1.00 0.00 C ATOM 262 C LYS A 17 173.531 5.237 14.596 1.00 0.00 C ATOM 263 O LYS A 17 174.551 5.926 14.663 1.00 0.00 O ATOM 264 CB LYS A 17 173.352 3.381 16.274 1.00 0.00 C ATOM 265 CG LYS A 17 172.813 2.886 17.609 1.00 0.00 C ATOM 266 CD LYS A 17 172.802 1.367 17.678 1.00 0.00 C ATOM 267 CE LYS A 17 172.157 0.873 18.964 1.00 0.00 C ATOM 268 NZ LYS A 17 173.032 -0.084 19.699 1.00 0.00 N ATOM 0 H LYS A 17 171.053 4.129 14.949 1.00 0.00 H new ATOM 0 HA LYS A 17 173.056 5.474 16.667 1.00 0.00 H new ATOM 0 HB2 LYS A 17 173.088 2.663 15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 17 174.440 3.414 16.321 1.00 0.00 H new ATOM 0 HG2 LYS A 17 173.424 3.283 18.419 1.00 0.00 H new ATOM 0 HG3 LYS A 17 171.802 3.265 17.757 1.00 0.00 H new ATOM 0 HD2 LYS A 17 172.261 0.967 16.821 1.00 0.00 H new ATOM 0 HD3 LYS A 17 173.823 0.991 17.614 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.932 1.724 19.606 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.208 0.390 18.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 172.553 -0.395 20.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 173.226 -0.909 19.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 173.928 0.383 19.945 1.00 0.00 H new ATOM 282 N HIS A 18 172.976 4.874 13.437 1.00 0.00 N ATOM 283 CA HIS A 18 173.542 5.270 12.149 1.00 0.00 C ATOM 284 C HIS A 18 172.456 5.811 11.215 1.00 0.00 C ATOM 285 O HIS A 18 172.620 5.808 9.993 1.00 0.00 O ATOM 286 CB HIS A 18 174.247 4.081 11.492 1.00 0.00 C ATOM 287 CG HIS A 18 175.608 4.411 10.966 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.757 4.279 11.716 1.00 0.00 N ATOM 289 CD2 HIS A 18 176.002 4.869 9.755 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.799 4.640 10.989 1.00 0.00 C ATOM 291 NE2 HIS A 18 177.368 5.002 9.796 1.00 0.00 N ATOM 0 H HIS A 18 172.133 4.305 13.366 1.00 0.00 H new ATOM 0 HA HIS A 18 174.268 6.063 12.329 1.00 0.00 H new ATOM 0 HB2 HIS A 18 174.333 3.273 12.218 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.630 3.710 10.674 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.796 3.953 12.682 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.362 5.089 8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.828 4.639 11.316 1.00 0.00 H new ATOM 300 N ALA A 19 171.349 6.279 11.796 1.00 0.00 N ATOM 301 CA ALA A 19 170.243 6.824 11.013 1.00 0.00 C ATOM 302 C ALA A 19 170.618 8.165 10.400 1.00 0.00 C ATOM 303 O ALA A 19 170.219 8.473 9.279 1.00 0.00 O ATOM 304 CB ALA A 19 168.995 6.966 11.874 1.00 0.00 C ATOM 0 H ALA A 19 171.197 6.291 12.805 1.00 0.00 H new ATOM 0 HA ALA A 19 170.029 6.127 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.182 7.374 11.273 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.706 5.988 12.260 1.00 0.00 H new ATOM 0 HB3 ALA A 19 169.202 7.638 12.707 1.00 0.00 H new ATOM 310 N ALA A 20 171.392 8.956 11.139 1.00 0.00 N ATOM 311 CA ALA A 20 171.826 10.267 10.659 1.00 0.00 C ATOM 312 C ALA A 20 172.896 10.133 9.576 1.00 0.00 C ATOM 313 O ALA A 20 172.927 10.913 8.624 1.00 0.00 O ATOM 314 CB ALA A 20 172.344 11.115 11.810 1.00 0.00 C ATOM 0 H ALA A 20 171.731 8.714 12.070 1.00 0.00 H new ATOM 0 HA ALA A 20 170.960 10.764 10.221 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.662 12.087 11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.551 11.254 12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.190 10.614 12.279 1.00 0.00 H new ATOM 320 N TYR A 21 173.771 9.139 9.727 1.00 0.00 N ATOM 321 CA TYR A 21 174.839 8.906 8.760 1.00 0.00 C ATOM 322 C TYR A 21 174.305 8.248 7.487 1.00 0.00 C ATOM 323 O TYR A 21 174.785 8.533 6.388 1.00 0.00 O ATOM 324 CB TYR A 21 175.938 8.042 9.382 1.00 0.00 C ATOM 325 CG TYR A 21 176.962 8.836 10.163 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.592 9.582 11.278 1.00 0.00 C ATOM 327 CD2 TYR A 21 178.298 8.844 9.785 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.524 10.310 11.990 1.00 0.00 C ATOM 329 CE2 TYR A 21 179.236 9.570 10.493 1.00 0.00 C ATOM 330 CZ TYR A 21 178.845 10.301 11.594 1.00 0.00 C ATOM 331 OH TYR A 21 179.778 11.025 12.302 1.00 0.00 O ATOM 0 H TYR A 21 173.760 8.484 10.509 1.00 0.00 H new ATOM 0 HA TYR A 21 175.259 9.874 8.486 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.480 7.306 10.043 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.445 7.489 8.591 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.559 9.592 11.591 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.609 8.273 8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.220 10.884 12.853 1.00 0.00 H new ATOM 0 HE2 TYR A 21 180.271 9.565 10.185 1.00 0.00 H new ATOM 0 HH TYR A 21 180.661 10.910 11.892 1.00 0.00 H new ATOM 341 N ALA A 22 173.311 7.370 7.638 1.00 0.00 N ATOM 342 CA ALA A 22 172.714 6.677 6.495 1.00 0.00 C ATOM 343 C ALA A 22 171.316 7.218 6.162 1.00 0.00 C ATOM 344 O ALA A 22 170.505 6.519 5.548 1.00 0.00 O ATOM 345 CB ALA A 22 172.652 5.179 6.764 1.00 0.00 C ATOM 0 H ALA A 22 172.903 7.122 8.540 1.00 0.00 H new ATOM 0 HA ALA A 22 173.349 6.862 5.629 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.206 4.674 5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.660 4.797 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 22 172.046 4.993 7.651 1.00 0.00 H new ATOM 351 N TRP A 23 171.038 8.463 6.561 1.00 0.00 N ATOM 352 CA TRP A 23 169.739 9.083 6.295 1.00 0.00 C ATOM 353 C TRP A 23 169.588 9.441 4.814 1.00 0.00 C ATOM 354 O TRP A 23 168.622 9.029 4.170 1.00 0.00 O ATOM 355 CB TRP A 23 169.550 10.336 7.162 1.00 0.00 C ATOM 356 CG TRP A 23 168.235 10.378 7.889 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.472 9.313 8.280 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.531 11.551 8.315 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.340 9.753 8.923 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.354 11.123 8.957 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.784 12.923 8.216 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.432 12.018 9.496 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.869 13.809 8.752 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.706 13.354 9.386 1.00 0.00 C ATOM 0 H TRP A 23 171.693 9.058 7.067 1.00 0.00 H new ATOM 0 HA TRP A 23 168.967 8.357 6.551 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.359 10.388 7.891 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.633 11.220 6.530 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.723 8.277 8.108 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.609 9.157 9.311 1.00 0.00 H new ATOM 0 HE3 TRP A 23 168.678 13.283 7.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.533 11.670 9.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 167.054 14.871 8.681 1.00 0.00 H new ATOM 0 HH2 TRP A 23 165.011 14.072 9.796 1.00 0.00 H new ATOM 375 N PRO A 24 170.542 10.216 4.248 1.00 0.00 N ATOM 376 CA PRO A 24 170.499 10.620 2.840 1.00 0.00 C ATOM 377 C PRO A 24 171.114 9.582 1.894 1.00 0.00 C ATOM 378 O PRO A 24 171.357 9.874 0.722 1.00 0.00 O ATOM 379 CB PRO A 24 171.331 11.898 2.843 1.00 0.00 C ATOM 380 CG PRO A 24 172.359 11.677 3.903 1.00 0.00 C ATOM 381 CD PRO A 24 171.735 10.763 4.931 1.00 0.00 C ATOM 0 HA PRO A 24 169.478 10.740 2.478 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.794 12.071 1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.716 12.771 3.063 1.00 0.00 H new ATOM 0 HG2 PRO A 24 173.259 11.228 3.482 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.657 12.623 4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 24 172.422 9.971 5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.463 11.307 5.835 1.00 0.00 H new ATOM 389 N PHE A 25 171.361 8.373 2.404 1.00 0.00 N ATOM 390 CA PHE A 25 171.944 7.305 1.600 1.00 0.00 C ATOM 391 C PHE A 25 171.137 6.013 1.746 1.00 0.00 C ATOM 392 O PHE A 25 171.674 4.967 2.113 1.00 0.00 O ATOM 393 CB PHE A 25 173.407 7.079 2.006 1.00 0.00 C ATOM 394 CG PHE A 25 174.397 7.513 0.960 1.00 0.00 C ATOM 395 CD1 PHE A 25 174.414 8.822 0.500 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.310 6.612 0.437 1.00 0.00 C ATOM 397 CE1 PHE A 25 175.324 9.222 -0.460 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.221 7.007 -0.523 1.00 0.00 C ATOM 399 CZ PHE A 25 176.228 8.313 -0.973 1.00 0.00 C ATOM 0 H PHE A 25 171.165 8.113 3.371 1.00 0.00 H new ATOM 0 HA PHE A 25 171.914 7.603 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.607 7.621 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.557 6.021 2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 25 173.708 9.536 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.309 5.589 0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 25 175.328 10.244 -0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.928 6.295 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.939 8.622 -1.725 1.00 0.00 H new ATOM 409 N TYR A 26 169.840 6.096 1.450 1.00 0.00 N ATOM 410 CA TYR A 26 168.954 4.936 1.541 1.00 0.00 C ATOM 411 C TYR A 26 168.115 4.784 0.270 1.00 0.00 C ATOM 412 O TYR A 26 168.041 3.695 -0.301 1.00 0.00 O ATOM 413 CB TYR A 26 168.043 5.044 2.770 1.00 0.00 C ATOM 414 CG TYR A 26 168.067 3.810 3.649 1.00 0.00 C ATOM 415 CD1 TYR A 26 169.181 3.505 4.424 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.978 2.948 3.700 1.00 0.00 C ATOM 417 CE1 TYR A 26 169.207 2.377 5.223 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.997 1.819 4.497 1.00 0.00 C ATOM 419 CZ TYR A 26 168.113 1.538 5.256 1.00 0.00 C ATOM 420 OH TYR A 26 168.133 0.413 6.050 1.00 0.00 O ATOM 0 H TYR A 26 169.380 6.954 1.145 1.00 0.00 H new ATOM 0 HA TYR A 26 169.577 4.048 1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.345 5.908 3.362 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.020 5.226 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 26 170.039 4.160 4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 26 166.102 3.164 3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 26 170.080 2.154 5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 26 166.142 1.160 4.525 1.00 0.00 H new ATOM 0 HH TYR A 26 167.284 -0.067 5.958 1.00 0.00 H new ATOM 430 N LYS A 27 167.490 5.879 -0.172 1.00 0.00 N ATOM 431 CA LYS A 27 166.661 5.860 -1.380 1.00 0.00 C ATOM 432 C LYS A 27 167.507 5.562 -2.625 1.00 0.00 C ATOM 433 O LYS A 27 168.709 5.835 -2.647 1.00 0.00 O ATOM 434 CB LYS A 27 165.939 7.202 -1.553 1.00 0.00 C ATOM 435 CG LYS A 27 164.431 7.120 -1.359 1.00 0.00 C ATOM 436 CD LYS A 27 163.714 8.230 -2.115 1.00 0.00 C ATOM 437 CE LYS A 27 162.205 8.154 -1.929 1.00 0.00 C ATOM 438 NZ LYS A 27 161.471 8.518 -3.175 1.00 0.00 N ATOM 0 H LYS A 27 167.542 6.788 0.288 1.00 0.00 H new ATOM 0 HA LYS A 27 165.922 5.067 -1.266 1.00 0.00 H new ATOM 0 HB2 LYS A 27 166.349 7.918 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 27 166.147 7.589 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.070 6.151 -1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.195 7.189 -0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 27 164.075 9.198 -1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.954 8.161 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 27 161.927 7.144 -1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 27 161.905 8.823 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 160.447 8.454 -3.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 161.716 9.490 -3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 161.738 7.864 -3.939 1.00 0.00 H new ATOM 452 N PRO A 28 166.885 4.994 -3.680 1.00 0.00 N ATOM 453 CA PRO A 28 167.581 4.658 -4.929 1.00 0.00 C ATOM 454 C PRO A 28 167.824 5.880 -5.818 1.00 0.00 C ATOM 455 O PRO A 28 167.428 6.997 -5.477 1.00 0.00 O ATOM 456 CB PRO A 28 166.614 3.688 -5.609 1.00 0.00 C ATOM 457 CG PRO A 28 165.265 4.108 -5.135 1.00 0.00 C ATOM 458 CD PRO A 28 165.452 4.634 -3.735 1.00 0.00 C ATOM 0 HA PRO A 28 168.574 4.246 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.689 3.749 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 28 166.828 2.656 -5.332 1.00 0.00 H new ATOM 0 HG2 PRO A 28 164.846 4.876 -5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 28 164.571 3.268 -5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 28 164.815 5.498 -3.544 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.200 3.881 -2.988 1.00 0.00 H new ATOM 466 N VAL A 29 168.469 5.656 -6.964 1.00 0.00 N ATOM 467 CA VAL A 29 168.757 6.734 -7.908 1.00 0.00 C ATOM 468 C VAL A 29 167.647 6.857 -8.957 1.00 0.00 C ATOM 469 O VAL A 29 167.851 6.559 -10.136 1.00 0.00 O ATOM 470 CB VAL A 29 170.122 6.535 -8.613 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.267 6.793 -7.644 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.231 5.140 -9.219 1.00 0.00 C ATOM 0 H VAL A 29 168.801 4.738 -7.260 1.00 0.00 H new ATOM 0 HA VAL A 29 168.804 7.656 -7.329 1.00 0.00 H new ATOM 0 HB VAL A 29 170.189 7.258 -9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.218 6.648 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.207 7.816 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.198 6.099 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 29 171.199 5.030 -9.707 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.134 4.393 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 29 169.437 4.999 -9.953 1.00 0.00 H new ATOM 482 N ASP A 30 166.469 7.299 -8.511 1.00 0.00 N ATOM 483 CA ASP A 30 165.315 7.467 -9.396 1.00 0.00 C ATOM 484 C ASP A 30 165.624 8.455 -10.520 1.00 0.00 C ATOM 485 O ASP A 30 165.565 9.669 -10.324 1.00 0.00 O ATOM 486 CB ASP A 30 164.096 7.953 -8.602 1.00 0.00 C ATOM 487 CG ASP A 30 163.656 6.972 -7.528 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.654 5.751 -7.797 1.00 0.00 O ATOM 489 OD2 ASP A 30 163.310 7.426 -6.417 1.00 0.00 O ATOM 0 H ASP A 30 166.289 7.548 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 30 165.091 6.496 -9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.331 8.911 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 30 163.268 8.126 -9.289 1.00 0.00 H new ATOM 494 N VAL A 31 165.959 7.928 -11.696 1.00 0.00 N ATOM 495 CA VAL A 31 166.283 8.766 -12.849 1.00 0.00 C ATOM 496 C VAL A 31 165.093 9.633 -13.273 1.00 0.00 C ATOM 497 O VAL A 31 165.273 10.781 -13.677 1.00 0.00 O ATOM 498 CB VAL A 31 166.772 7.918 -14.047 1.00 0.00 C ATOM 499 CG1 VAL A 31 165.677 6.986 -14.550 1.00 0.00 C ATOM 500 CG2 VAL A 31 167.278 8.815 -15.169 1.00 0.00 C ATOM 0 H VAL A 31 166.013 6.925 -11.876 1.00 0.00 H new ATOM 0 HA VAL A 31 167.093 9.426 -12.538 1.00 0.00 H new ATOM 0 HB VAL A 31 167.600 7.299 -13.702 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.053 6.404 -15.392 1.00 0.00 H new ATOM 0 HG12 VAL A 31 165.377 6.312 -13.748 1.00 0.00 H new ATOM 0 HG13 VAL A 31 164.817 7.574 -14.870 1.00 0.00 H new ATOM 0 HG21 VAL A 31 167.617 8.199 -16.002 1.00 0.00 H new ATOM 0 HG22 VAL A 31 166.472 9.468 -15.505 1.00 0.00 H new ATOM 0 HG23 VAL A 31 168.107 9.421 -14.804 1.00 0.00 H new ATOM 510 N GLU A 32 163.880 9.082 -13.180 1.00 0.00 N ATOM 511 CA GLU A 32 162.671 9.818 -13.554 1.00 0.00 C ATOM 512 C GLU A 32 162.338 10.909 -12.534 1.00 0.00 C ATOM 513 O GLU A 32 162.024 12.040 -12.908 1.00 0.00 O ATOM 514 CB GLU A 32 161.485 8.860 -13.700 1.00 0.00 C ATOM 515 CG GLU A 32 161.623 7.907 -14.878 1.00 0.00 C ATOM 516 CD GLU A 32 160.638 6.756 -14.821 1.00 0.00 C ATOM 517 OE1 GLU A 32 159.416 7.015 -14.851 1.00 0.00 O ATOM 518 OE2 GLU A 32 161.089 5.593 -14.751 1.00 0.00 O ATOM 0 H GLU A 32 163.710 8.132 -12.850 1.00 0.00 H new ATOM 0 HA GLU A 32 162.864 10.300 -14.513 1.00 0.00 H new ATOM 0 HB2 GLU A 32 161.380 8.280 -12.783 1.00 0.00 H new ATOM 0 HB3 GLU A 32 160.570 9.441 -13.817 1.00 0.00 H new ATOM 0 HG2 GLU A 32 161.476 8.460 -15.806 1.00 0.00 H new ATOM 0 HG3 GLU A 32 162.638 7.510 -14.901 1.00 0.00 H new ATOM 525 N ALA A 33 162.399 10.561 -11.245 1.00 0.00 N ATOM 526 CA ALA A 33 162.093 11.510 -10.174 1.00 0.00 C ATOM 527 C ALA A 33 163.195 12.556 -10.004 1.00 0.00 C ATOM 528 O ALA A 33 162.912 13.751 -9.909 1.00 0.00 O ATOM 529 CB ALA A 33 161.861 10.774 -8.861 1.00 0.00 C ATOM 0 H ALA A 33 162.657 9.629 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 33 161.181 12.035 -10.457 1.00 0.00 H new ATOM 0 HB1 ALA A 33 161.635 11.495 -8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.024 10.085 -8.973 1.00 0.00 H new ATOM 0 HB3 ALA A 33 162.758 10.215 -8.594 1.00 0.00 H new ATOM 535 N LEU A 34 164.446 12.103 -9.954 1.00 0.00 N ATOM 536 CA LEU A 34 165.583 13.008 -9.780 1.00 0.00 C ATOM 537 C LEU A 34 165.993 13.672 -11.095 1.00 0.00 C ATOM 538 O LEU A 34 166.639 14.721 -11.088 1.00 0.00 O ATOM 539 CB LEU A 34 166.780 12.254 -9.198 1.00 0.00 C ATOM 540 CG LEU A 34 166.542 11.618 -7.828 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.501 10.457 -7.605 1.00 0.00 C ATOM 542 CD2 LEU A 34 166.689 12.660 -6.726 1.00 0.00 C ATOM 0 H LEU A 34 164.699 11.118 -10.031 1.00 0.00 H new ATOM 0 HA LEU A 34 165.267 13.790 -9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 34 167.073 11.472 -9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.621 12.943 -9.120 1.00 0.00 H new ATOM 0 HG LEU A 34 165.524 11.229 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.317 10.016 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.345 9.703 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 34 168.528 10.819 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 34 166.517 12.192 -5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 34 167.695 13.079 -6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 34 165.961 13.456 -6.879 1.00 0.00 H new ATOM 554 N GLY A 35 165.622 13.059 -12.221 1.00 0.00 N ATOM 555 CA GLY A 35 165.971 13.613 -13.519 1.00 0.00 C ATOM 556 C GLY A 35 167.466 13.581 -13.778 1.00 0.00 C ATOM 557 O GLY A 35 168.053 14.595 -14.154 1.00 0.00 O ATOM 0 H GLY A 35 165.087 12.191 -12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 35 165.457 13.053 -14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 35 165.616 14.642 -13.579 1.00 0.00 H new ATOM 561 N LEU A 36 168.082 12.414 -13.576 1.00 0.00 N ATOM 562 CA LEU A 36 169.522 12.260 -13.789 1.00 0.00 C ATOM 563 C LEU A 36 169.821 11.180 -14.832 1.00 0.00 C ATOM 564 O LEU A 36 170.459 10.167 -14.532 1.00 0.00 O ATOM 565 CB LEU A 36 170.243 11.942 -12.466 1.00 0.00 C ATOM 566 CG LEU A 36 169.460 11.087 -11.461 1.00 0.00 C ATOM 567 CD1 LEU A 36 169.510 9.615 -11.846 1.00 0.00 C ATOM 568 CD2 LEU A 36 170.009 11.288 -10.054 1.00 0.00 C ATOM 0 H LEU A 36 167.608 11.565 -13.267 1.00 0.00 H new ATOM 0 HA LEU A 36 169.899 13.209 -14.170 1.00 0.00 H new ATOM 0 HB2 LEU A 36 171.177 11.430 -12.698 1.00 0.00 H new ATOM 0 HB3 LEU A 36 170.507 12.883 -11.984 1.00 0.00 H new ATOM 0 HG LEU A 36 168.418 11.407 -11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 36 168.948 9.029 -11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.072 9.483 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 36 170.546 9.278 -11.860 1.00 0.00 H new ATOM 0 HD21 LEU A 36 169.444 10.675 -9.352 1.00 0.00 H new ATOM 0 HD22 LEU A 36 171.059 10.995 -10.028 1.00 0.00 H new ATOM 0 HD23 LEU A 36 169.918 12.338 -9.774 1.00 0.00 H new ATOM 580 N HIS A 37 169.372 11.411 -16.068 1.00 0.00 N ATOM 581 CA HIS A 37 169.606 10.464 -17.164 1.00 0.00 C ATOM 582 C HIS A 37 171.103 10.294 -17.448 1.00 0.00 C ATOM 583 O HIS A 37 171.512 9.318 -18.080 1.00 0.00 O ATOM 584 CB HIS A 37 168.887 10.912 -18.445 1.00 0.00 C ATOM 585 CG HIS A 37 169.062 12.365 -18.778 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.291 12.947 -19.017 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.147 13.353 -18.917 1.00 0.00 C ATOM 588 CE1 HIS A 37 170.122 14.230 -19.289 1.00 0.00 C ATOM 589 NE2 HIS A 37 168.831 14.500 -19.235 1.00 0.00 N ATOM 0 H HIS A 37 168.846 12.243 -16.336 1.00 0.00 H new ATOM 0 HA HIS A 37 169.200 9.503 -16.847 1.00 0.00 H new ATOM 0 HB2 HIS A 37 169.252 10.314 -19.280 1.00 0.00 H new ATOM 0 HB3 HIS A 37 167.823 10.701 -18.343 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.078 13.257 -18.800 1.00 0.00 H new ATOM 0 HE1 HIS A 37 170.907 14.937 -19.517 1.00 0.00 H new ATOM 0 HE2 HIS A 37 168.410 15.414 -19.403 1.00 0.00 H new ATOM 598 N ASP A 38 171.914 11.246 -16.976 1.00 0.00 N ATOM 599 CA ASP A 38 173.361 11.201 -17.181 1.00 0.00 C ATOM 600 C ASP A 38 174.030 10.181 -16.254 1.00 0.00 C ATOM 601 O ASP A 38 175.149 9.739 -16.521 1.00 0.00 O ATOM 602 CB ASP A 38 173.970 12.588 -16.950 1.00 0.00 C ATOM 603 CG ASP A 38 173.635 13.154 -15.581 1.00 0.00 C ATOM 604 OD1 ASP A 38 172.501 13.649 -15.404 1.00 0.00 O ATOM 605 OD2 ASP A 38 174.503 13.095 -14.685 1.00 0.00 O ATOM 0 H ASP A 38 171.590 12.057 -16.449 1.00 0.00 H new ATOM 0 HA ASP A 38 173.540 10.891 -18.210 1.00 0.00 H new ATOM 0 HB2 ASP A 38 175.053 12.528 -17.059 1.00 0.00 H new ATOM 0 HB3 ASP A 38 173.610 13.271 -17.719 1.00 0.00 H new ATOM 610 N TYR A 39 173.341 9.806 -15.171 1.00 0.00 N ATOM 611 CA TYR A 39 173.873 8.833 -14.217 1.00 0.00 C ATOM 612 C TYR A 39 174.268 7.535 -14.923 1.00 0.00 C ATOM 613 O TYR A 39 175.288 6.929 -14.596 1.00 0.00 O ATOM 614 CB TYR A 39 172.842 8.538 -13.124 1.00 0.00 C ATOM 615 CG TYR A 39 173.451 8.117 -11.803 1.00 0.00 C ATOM 616 CD1 TYR A 39 173.703 6.778 -11.525 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.771 9.059 -10.833 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.255 6.392 -10.318 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.324 8.680 -9.625 1.00 0.00 C ATOM 620 CZ TYR A 39 174.564 7.346 -9.372 1.00 0.00 C ATOM 621 OH TYR A 39 175.113 6.966 -8.168 1.00 0.00 O ATOM 0 H TYR A 39 172.415 10.162 -14.935 1.00 0.00 H new ATOM 0 HA TYR A 39 174.764 9.263 -13.759 1.00 0.00 H new ATOM 0 HB2 TYR A 39 172.232 9.427 -12.965 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.173 7.751 -13.472 1.00 0.00 H new ATOM 0 HD1 TYR A 39 173.464 6.028 -12.264 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.584 10.105 -11.027 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.443 5.348 -10.117 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.567 9.425 -8.882 1.00 0.00 H new ATOM 0 HH TYR A 39 175.271 7.760 -7.616 1.00 0.00 H new ATOM 631 N CYS A 40 173.454 7.121 -15.899 1.00 0.00 N ATOM 632 CA CYS A 40 173.722 5.901 -16.660 1.00 0.00 C ATOM 633 C CYS A 40 175.004 6.043 -17.479 1.00 0.00 C ATOM 634 O CYS A 40 175.801 5.107 -17.564 1.00 0.00 O ATOM 635 CB CYS A 40 172.545 5.581 -17.586 1.00 0.00 C ATOM 636 SG CYS A 40 172.574 3.905 -18.267 1.00 0.00 S ATOM 0 H CYS A 40 172.606 7.613 -16.179 1.00 0.00 H new ATOM 0 HA CYS A 40 173.851 5.082 -15.952 1.00 0.00 H new ATOM 0 HB2 CYS A 40 171.615 5.722 -17.035 1.00 0.00 H new ATOM 0 HB3 CYS A 40 172.539 6.296 -18.409 1.00 0.00 H new ATOM 0 HG CYS A 40 171.539 3.730 -19.034 1.00 0.00 H new ATOM 642 N ASP A 41 175.203 7.223 -18.071 1.00 0.00 N ATOM 643 CA ASP A 41 176.394 7.490 -18.874 1.00 0.00 C ATOM 644 C ASP A 41 177.650 7.467 -18.007 1.00 0.00 C ATOM 645 O ASP A 41 178.671 6.899 -18.396 1.00 0.00 O ATOM 646 CB ASP A 41 176.276 8.842 -19.584 1.00 0.00 C ATOM 647 CG ASP A 41 175.669 8.717 -20.967 1.00 0.00 C ATOM 648 OD1 ASP A 41 176.381 8.267 -21.890 1.00 0.00 O ATOM 649 OD2 ASP A 41 174.482 9.067 -21.128 1.00 0.00 O ATOM 0 H ASP A 41 174.554 8.007 -18.008 1.00 0.00 H new ATOM 0 HA ASP A 41 176.474 6.704 -19.625 1.00 0.00 H new ATOM 0 HB2 ASP A 41 175.665 9.514 -18.981 1.00 0.00 H new ATOM 0 HB3 ASP A 41 177.264 9.295 -19.663 1.00 0.00 H new ATOM 654 N ILE A 42 177.565 8.083 -16.827 1.00 0.00 N ATOM 655 CA ILE A 42 178.694 8.127 -15.901 1.00 0.00 C ATOM 656 C ILE A 42 178.962 6.747 -15.299 1.00 0.00 C ATOM 657 O ILE A 42 180.111 6.309 -15.224 1.00 0.00 O ATOM 658 CB ILE A 42 178.460 9.140 -14.757 1.00 0.00 C ATOM 659 CG1 ILE A 42 178.053 10.507 -15.316 1.00 0.00 C ATOM 660 CG2 ILE A 42 179.712 9.273 -13.899 1.00 0.00 C ATOM 661 CD1 ILE A 42 177.450 11.430 -14.279 1.00 0.00 C ATOM 0 H ILE A 42 176.727 8.557 -16.492 1.00 0.00 H new ATOM 0 HA ILE A 42 179.561 8.448 -16.479 1.00 0.00 H new ATOM 0 HB ILE A 42 177.647 8.767 -14.134 1.00 0.00 H new ATOM 0 HG12 ILE A 42 178.929 10.987 -15.752 1.00 0.00 H new ATOM 0 HG13 ILE A 42 177.334 10.361 -16.122 1.00 0.00 H new ATOM 0 HG21 ILE A 42 179.530 9.990 -13.098 1.00 0.00 H new ATOM 0 HG22 ILE A 42 179.962 8.304 -13.468 1.00 0.00 H new ATOM 0 HG23 ILE A 42 180.541 9.621 -14.516 1.00 0.00 H new ATOM 0 HD11 ILE A 42 177.186 12.379 -14.746 1.00 0.00 H new ATOM 0 HD12 ILE A 42 176.555 10.971 -13.859 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.174 11.606 -13.484 1.00 0.00 H new ATOM 673 N ILE A 43 177.896 6.070 -14.868 1.00 0.00 N ATOM 674 CA ILE A 43 178.017 4.743 -14.270 1.00 0.00 C ATOM 675 C ILE A 43 177.087 3.745 -14.961 1.00 0.00 C ATOM 676 O ILE A 43 175.864 3.838 -14.840 1.00 0.00 O ATOM 677 CB ILE A 43 177.698 4.770 -12.757 1.00 0.00 C ATOM 678 CG1 ILE A 43 178.510 5.863 -12.052 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.973 3.410 -12.125 1.00 0.00 C ATOM 680 CD1 ILE A 43 177.788 6.494 -10.881 1.00 0.00 C ATOM 0 H ILE A 43 176.940 6.421 -14.923 1.00 0.00 H new ATOM 0 HA ILE A 43 179.052 4.428 -14.405 1.00 0.00 H new ATOM 0 HB ILE A 43 176.639 4.997 -12.637 1.00 0.00 H new ATOM 0 HG12 ILE A 43 179.450 5.437 -11.702 1.00 0.00 H new ATOM 0 HG13 ILE A 43 178.762 6.640 -12.774 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.742 3.450 -11.060 1.00 0.00 H new ATOM 0 HG22 ILE A 43 177.350 2.654 -12.603 1.00 0.00 H new ATOM 0 HG23 ILE A 43 179.024 3.152 -12.259 1.00 0.00 H new ATOM 0 HD11 ILE A 43 178.422 7.258 -10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 43 176.861 6.950 -11.228 1.00 0.00 H new ATOM 0 HD13 ILE A 43 177.560 5.729 -10.139 1.00 0.00 H new ATOM 692 N LYS A 44 177.676 2.787 -15.680 1.00 0.00 N ATOM 693 CA LYS A 44 176.899 1.766 -16.387 1.00 0.00 C ATOM 694 C LYS A 44 176.281 0.760 -15.411 1.00 0.00 C ATOM 695 O LYS A 44 175.216 0.202 -15.683 1.00 0.00 O ATOM 696 CB LYS A 44 177.771 1.030 -17.411 1.00 0.00 C ATOM 697 CG LYS A 44 179.009 0.376 -16.815 1.00 0.00 C ATOM 698 CD LYS A 44 179.499 -0.780 -17.672 1.00 0.00 C ATOM 699 CE LYS A 44 180.917 -1.187 -17.297 1.00 0.00 C ATOM 700 NZ LYS A 44 181.733 -1.551 -18.490 1.00 0.00 N ATOM 0 H LYS A 44 178.686 2.697 -15.788 1.00 0.00 H new ATOM 0 HA LYS A 44 176.091 2.277 -16.912 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.169 0.265 -17.902 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.081 1.735 -18.182 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.801 1.118 -16.716 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.783 0.015 -15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 44 178.830 -1.633 -17.552 1.00 0.00 H new ATOM 0 HD3 LYS A 44 179.467 -0.495 -18.723 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.400 -0.367 -16.765 1.00 0.00 H new ATOM 0 HE3 LYS A 44 180.881 -2.034 -16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.690 -1.821 -18.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.288 -2.351 -18.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.791 -0.736 -19.133 1.00 0.00 H new ATOM 714 N HIS A 45 176.951 0.535 -14.277 1.00 0.00 N ATOM 715 CA HIS A 45 176.464 -0.400 -13.265 1.00 0.00 C ATOM 716 C HIS A 45 176.200 0.323 -11.938 1.00 0.00 C ATOM 717 O HIS A 45 176.890 0.090 -10.942 1.00 0.00 O ATOM 718 CB HIS A 45 177.478 -1.532 -13.066 1.00 0.00 C ATOM 719 CG HIS A 45 176.891 -2.903 -13.220 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.886 -3.839 -12.206 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.293 -3.499 -14.280 1.00 0.00 C ATOM 722 CE1 HIS A 45 176.313 -4.949 -12.636 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.944 -4.768 -13.890 1.00 0.00 N ATOM 0 H HIS A 45 177.833 0.989 -14.039 1.00 0.00 H new ATOM 0 HA HIS A 45 175.522 -0.826 -13.611 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.289 -1.411 -13.784 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.917 -1.444 -12.072 1.00 0.00 H new ATOM 0 HD2 HIS A 45 176.123 -3.058 -15.251 1.00 0.00 H new ATOM 0 HE1 HIS A 45 176.171 -5.851 -12.059 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.475 -5.460 -14.475 1.00 0.00 H new ATOM 732 N PRO A 46 175.192 1.220 -11.909 1.00 0.00 N ATOM 733 CA PRO A 46 174.840 1.981 -10.704 1.00 0.00 C ATOM 734 C PRO A 46 174.084 1.138 -9.679 1.00 0.00 C ATOM 735 O PRO A 46 173.458 0.134 -10.028 1.00 0.00 O ATOM 736 CB PRO A 46 173.947 3.096 -11.249 1.00 0.00 C ATOM 737 CG PRO A 46 173.307 2.506 -12.458 1.00 0.00 C ATOM 738 CD PRO A 46 174.319 1.563 -13.051 1.00 0.00 C ATOM 0 HA PRO A 46 175.722 2.339 -10.172 1.00 0.00 H new ATOM 0 HB2 PRO A 46 173.202 3.402 -10.515 1.00 0.00 H new ATOM 0 HB3 PRO A 46 174.529 3.983 -11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 46 172.390 1.978 -12.195 1.00 0.00 H new ATOM 0 HG3 PRO A 46 173.034 3.283 -13.172 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.843 0.677 -13.471 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.881 2.035 -13.857 1.00 0.00 H new ATOM 746 N MET A 47 174.148 1.552 -8.414 1.00 0.00 N ATOM 747 CA MET A 47 173.472 0.835 -7.337 1.00 0.00 C ATOM 748 C MET A 47 173.252 1.740 -6.124 1.00 0.00 C ATOM 749 O MET A 47 173.919 2.766 -5.973 1.00 0.00 O ATOM 750 CB MET A 47 174.285 -0.399 -6.929 1.00 0.00 C ATOM 751 CG MET A 47 173.428 -1.606 -6.578 1.00 0.00 C ATOM 752 SD MET A 47 173.086 -2.655 -8.004 1.00 0.00 S ATOM 753 CE MET A 47 174.695 -3.393 -8.278 1.00 0.00 C ATOM 0 H MET A 47 174.661 2.380 -8.111 1.00 0.00 H new ATOM 0 HA MET A 47 172.497 0.516 -7.706 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.957 -0.666 -7.744 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.909 -0.145 -6.072 1.00 0.00 H new ATOM 0 HG2 MET A 47 173.933 -2.195 -5.812 1.00 0.00 H new ATOM 0 HG3 MET A 47 172.486 -1.265 -6.149 1.00 0.00 H new ATOM 0 HE1 MET A 47 174.579 -4.321 -8.837 1.00 0.00 H new ATOM 0 HE2 MET A 47 175.320 -2.703 -8.845 1.00 0.00 H new ATOM 0 HE3 MET A 47 175.167 -3.604 -7.318 1.00 0.00 H new ATOM 763 N ASP A 48 172.314 1.347 -5.263 1.00 0.00 N ATOM 764 CA ASP A 48 172.000 2.111 -4.059 1.00 0.00 C ATOM 765 C ASP A 48 171.555 1.185 -2.930 1.00 0.00 C ATOM 766 O ASP A 48 171.246 0.015 -3.163 1.00 0.00 O ATOM 767 CB ASP A 48 170.902 3.139 -4.348 1.00 0.00 C ATOM 768 CG ASP A 48 171.277 4.534 -3.886 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.632 4.692 -2.698 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.214 5.468 -4.713 1.00 0.00 O ATOM 0 H ASP A 48 171.757 0.500 -5.379 1.00 0.00 H new ATOM 0 HA ASP A 48 172.904 2.634 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.698 3.157 -5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 48 169.981 2.831 -3.853 1.00 0.00 H new ATOM 775 N MET A 49 171.517 1.717 -1.707 1.00 0.00 N ATOM 776 CA MET A 49 171.100 0.935 -0.542 1.00 0.00 C ATOM 777 C MET A 49 169.704 0.349 -0.750 1.00 0.00 C ATOM 778 O MET A 49 169.433 -0.784 -0.347 1.00 0.00 O ATOM 779 CB MET A 49 171.127 1.795 0.723 1.00 0.00 C ATOM 780 CG MET A 49 172.532 2.078 1.231 1.00 0.00 C ATOM 781 SD MET A 49 172.856 1.326 2.838 1.00 0.00 S ATOM 782 CE MET A 49 172.863 2.772 3.893 1.00 0.00 C ATOM 0 H MET A 49 171.769 2.683 -1.498 1.00 0.00 H new ATOM 0 HA MET A 49 171.805 0.112 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 49 170.624 2.741 0.521 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.559 1.293 1.507 1.00 0.00 H new ATOM 0 HG2 MET A 49 173.257 1.706 0.507 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.678 3.156 1.303 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.139 2.481 4.907 1.00 0.00 H new ATOM 0 HE2 MET A 49 173.584 3.496 3.514 1.00 0.00 H new ATOM 0 HE3 MET A 49 171.870 3.221 3.902 1.00 0.00 H new ATOM 792 N SER A 50 168.826 1.120 -1.397 1.00 0.00 N ATOM 793 CA SER A 50 167.464 0.668 -1.675 1.00 0.00 C ATOM 794 C SER A 50 167.482 -0.512 -2.648 1.00 0.00 C ATOM 795 O SER A 50 166.736 -1.478 -2.478 1.00 0.00 O ATOM 796 CB SER A 50 166.627 1.816 -2.254 1.00 0.00 C ATOM 797 OG SER A 50 165.410 1.342 -2.808 1.00 0.00 O ATOM 0 H SER A 50 169.035 2.059 -1.737 1.00 0.00 H new ATOM 0 HA SER A 50 167.011 0.343 -0.738 1.00 0.00 H new ATOM 0 HB2 SER A 50 166.413 2.543 -1.471 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.200 2.335 -3.022 1.00 0.00 H new ATOM 0 HG SER A 50 165.299 1.705 -3.711 1.00 0.00 H new ATOM 803 N THR A 51 168.345 -0.427 -3.664 1.00 0.00 N ATOM 804 CA THR A 51 168.467 -1.487 -4.662 1.00 0.00 C ATOM 805 C THR A 51 168.993 -2.778 -4.031 1.00 0.00 C ATOM 806 O THR A 51 168.517 -3.869 -4.348 1.00 0.00 O ATOM 807 CB THR A 51 169.388 -1.047 -5.809 1.00 0.00 C ATOM 808 OG1 THR A 51 169.270 0.348 -6.044 1.00 0.00 O ATOM 809 CG2 THR A 51 169.096 -1.758 -7.113 1.00 0.00 C ATOM 0 H THR A 51 168.969 0.366 -3.815 1.00 0.00 H new ATOM 0 HA THR A 51 167.473 -1.682 -5.065 1.00 0.00 H new ATOM 0 HB THR A 51 170.396 -1.308 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.866 0.608 -6.777 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.781 -1.402 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.227 -2.832 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.070 -1.553 -7.418 1.00 0.00 H new ATOM 817 N ILE A 52 169.972 -2.647 -3.133 1.00 0.00 N ATOM 818 CA ILE A 52 170.552 -3.807 -2.458 1.00 0.00 C ATOM 819 C ILE A 52 169.535 -4.457 -1.520 1.00 0.00 C ATOM 820 O ILE A 52 169.389 -5.681 -1.505 1.00 0.00 O ATOM 821 CB ILE A 52 171.818 -3.430 -1.651 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.820 -2.675 -2.531 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.466 -4.677 -1.066 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.760 -1.781 -1.749 1.00 0.00 C ATOM 0 H ILE A 52 170.378 -1.752 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 52 170.835 -4.515 -3.237 1.00 0.00 H new ATOM 0 HB ILE A 52 171.517 -2.775 -0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.407 -3.396 -3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.272 -2.069 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.355 -4.395 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.760 -5.178 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.748 -5.353 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.441 -1.279 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.182 -1.036 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.334 -2.384 -1.046 1.00 0.00 H new ATOM 836 N LYS A 53 168.826 -3.633 -0.745 1.00 0.00 N ATOM 837 CA LYS A 53 167.818 -4.137 0.188 1.00 0.00 C ATOM 838 C LYS A 53 166.692 -4.852 -0.557 1.00 0.00 C ATOM 839 O LYS A 53 166.142 -5.833 -0.059 1.00 0.00 O ATOM 840 CB LYS A 53 167.240 -2.996 1.032 1.00 0.00 C ATOM 841 CG LYS A 53 167.918 -2.832 2.383 1.00 0.00 C ATOM 842 CD LYS A 53 166.991 -3.220 3.526 1.00 0.00 C ATOM 843 CE LYS A 53 167.773 -3.756 4.716 1.00 0.00 C ATOM 844 NZ LYS A 53 167.052 -3.551 6.006 1.00 0.00 N ATOM 0 H LYS A 53 168.931 -2.618 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 53 168.307 -4.852 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.328 -2.063 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.176 -3.174 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 53 168.816 -3.448 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.237 -1.797 2.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.407 -2.353 3.833 1.00 0.00 H new ATOM 0 HD3 LYS A 53 166.284 -3.975 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 53 167.963 -4.820 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 53 168.744 -3.262 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 167.623 -3.932 6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 166.893 -2.534 6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 166.137 -4.044 5.974 1.00 0.00 H new ATOM 858 N SER A 54 166.357 -4.356 -1.752 1.00 0.00 N ATOM 859 CA SER A 54 165.295 -4.952 -2.565 1.00 0.00 C ATOM 860 C SER A 54 165.586 -6.425 -2.854 1.00 0.00 C ATOM 861 O SER A 54 164.689 -7.266 -2.776 1.00 0.00 O ATOM 862 CB SER A 54 165.130 -4.183 -3.880 1.00 0.00 C ATOM 863 OG SER A 54 163.918 -4.529 -4.527 1.00 0.00 O ATOM 0 H SER A 54 166.806 -3.544 -2.177 1.00 0.00 H new ATOM 0 HA SER A 54 164.366 -4.889 -1.999 1.00 0.00 H new ATOM 0 HB2 SER A 54 165.147 -3.111 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.971 -4.399 -4.539 1.00 0.00 H new ATOM 0 HG SER A 54 163.837 -4.023 -5.362 1.00 0.00 H new ATOM 869 N LYS A 55 166.845 -6.736 -3.173 1.00 0.00 N ATOM 870 CA LYS A 55 167.244 -8.115 -3.454 1.00 0.00 C ATOM 871 C LYS A 55 166.995 -8.995 -2.231 1.00 0.00 C ATOM 872 O LYS A 55 166.401 -10.068 -2.337 1.00 0.00 O ATOM 873 CB LYS A 55 168.722 -8.178 -3.857 1.00 0.00 C ATOM 874 CG LYS A 55 169.007 -9.151 -4.991 1.00 0.00 C ATOM 875 CD LYS A 55 170.093 -8.629 -5.918 1.00 0.00 C ATOM 876 CE LYS A 55 170.014 -9.278 -7.293 1.00 0.00 C ATOM 877 NZ LYS A 55 171.365 -9.568 -7.855 1.00 0.00 N ATOM 0 H LYS A 55 167.601 -6.055 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 55 166.643 -8.485 -4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 55 169.051 -7.182 -4.154 1.00 0.00 H new ATOM 0 HB3 LYS A 55 169.314 -8.464 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 55 169.312 -10.113 -4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 55 168.094 -9.324 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.998 -7.548 -6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 55 171.072 -8.823 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.444 -10.205 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.472 -8.621 -7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.264 -10.009 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 171.901 -8.681 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.873 -10.216 -7.220 1.00 0.00 H new ATOM 891 N LEU A 56 167.440 -8.520 -1.067 1.00 0.00 N ATOM 892 CA LEU A 56 167.259 -9.246 0.188 1.00 0.00 C ATOM 893 C LEU A 56 165.770 -9.362 0.542 1.00 0.00 C ATOM 894 O LEU A 56 165.340 -10.365 1.116 1.00 0.00 O ATOM 895 CB LEU A 56 168.033 -8.542 1.314 1.00 0.00 C ATOM 896 CG LEU A 56 167.644 -8.927 2.747 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.020 -10.373 3.040 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.313 -7.990 3.745 1.00 0.00 C ATOM 0 H LEU A 56 167.931 -7.631 -0.969 1.00 0.00 H new ATOM 0 HA LEU A 56 167.652 -10.255 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.095 -8.748 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.900 -7.466 1.200 1.00 0.00 H new ATOM 0 HG LEU A 56 166.563 -8.831 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.735 -10.623 4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.499 -11.032 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.096 -10.500 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.029 -8.274 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.396 -8.059 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 56 167.994 -6.966 3.553 1.00 0.00 H new ATOM 910 N GLU A 57 164.989 -8.333 0.187 1.00 0.00 N ATOM 911 CA GLU A 57 163.548 -8.319 0.460 1.00 0.00 C ATOM 912 C GLU A 57 162.832 -9.458 -0.264 1.00 0.00 C ATOM 913 O GLU A 57 161.946 -10.101 0.301 1.00 0.00 O ATOM 914 CB GLU A 57 162.930 -6.985 0.032 1.00 0.00 C ATOM 915 CG GLU A 57 163.336 -5.811 0.909 1.00 0.00 C ATOM 916 CD GLU A 57 162.149 -5.004 1.408 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.194 -4.800 0.627 1.00 0.00 O ATOM 918 OE2 GLU A 57 162.179 -4.572 2.579 1.00 0.00 O ATOM 0 H GLU A 57 165.332 -7.499 -0.290 1.00 0.00 H new ATOM 0 HA GLU A 57 163.422 -8.452 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.220 -6.775 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.844 -7.078 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.901 -6.182 1.764 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.002 -5.157 0.346 1.00 0.00 H new ATOM 925 N ALA A 58 163.219 -9.703 -1.519 1.00 0.00 N ATOM 926 CA ALA A 58 162.606 -10.765 -2.319 1.00 0.00 C ATOM 927 C ALA A 58 163.333 -12.106 -2.152 1.00 0.00 C ATOM 928 O ALA A 58 163.137 -13.025 -2.949 1.00 0.00 O ATOM 929 CB ALA A 58 162.568 -10.363 -3.789 1.00 0.00 C ATOM 0 H ALA A 58 163.951 -9.182 -2.001 1.00 0.00 H new ATOM 0 HA ALA A 58 161.587 -10.900 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 58 162.110 -11.161 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.983 -9.450 -3.902 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.583 -10.190 -4.145 1.00 0.00 H new ATOM 935 N ARG A 59 164.173 -12.214 -1.116 1.00 0.00 N ATOM 936 CA ARG A 59 164.929 -13.440 -0.850 1.00 0.00 C ATOM 937 C ARG A 59 165.830 -13.814 -2.033 1.00 0.00 C ATOM 938 O ARG A 59 166.155 -14.986 -2.229 1.00 0.00 O ATOM 939 CB ARG A 59 163.978 -14.601 -0.517 1.00 0.00 C ATOM 940 CG ARG A 59 164.050 -15.051 0.935 1.00 0.00 C ATOM 941 CD ARG A 59 163.591 -13.954 1.885 1.00 0.00 C ATOM 942 NE ARG A 59 163.041 -14.495 3.128 1.00 0.00 N ATOM 943 CZ ARG A 59 163.784 -14.958 4.140 1.00 0.00 C ATOM 944 NH1 ARG A 59 165.114 -14.957 4.061 1.00 0.00 N ATOM 945 NH2 ARG A 59 163.193 -15.426 5.234 1.00 0.00 N ATOM 0 H ARG A 59 164.346 -11.464 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 59 165.569 -13.250 0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.956 -14.299 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 59 164.211 -15.447 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 59 163.429 -15.936 1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 59 165.073 -15.338 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 59 164.432 -13.300 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.836 -13.341 1.392 1.00 0.00 H new ATOM 0 HE ARG A 59 162.026 -14.521 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 59 165.575 -14.601 3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 59 165.671 -15.312 4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 59 162.175 -15.432 5.301 1.00 0.00 H new ATOM 0 HH22 ARG A 59 163.757 -15.780 6.007 1.00 0.00 H new ATOM 959 N GLU A 60 166.247 -12.808 -2.809 1.00 0.00 N ATOM 960 CA GLU A 60 167.124 -13.036 -3.958 1.00 0.00 C ATOM 961 C GLU A 60 168.561 -13.281 -3.500 1.00 0.00 C ATOM 962 O GLU A 60 169.304 -14.032 -4.134 1.00 0.00 O ATOM 963 CB GLU A 60 167.085 -11.842 -4.917 1.00 0.00 C ATOM 964 CG GLU A 60 165.873 -11.824 -5.838 1.00 0.00 C ATOM 965 CD GLU A 60 166.204 -11.307 -7.228 1.00 0.00 C ATOM 966 OE1 GLU A 60 166.733 -10.180 -7.334 1.00 0.00 O ATOM 967 OE2 GLU A 60 165.934 -12.030 -8.210 1.00 0.00 O ATOM 0 H GLU A 60 165.991 -11.832 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 60 166.763 -13.921 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 60 167.099 -10.921 -4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.990 -11.848 -5.525 1.00 0.00 H new ATOM 0 HG2 GLU A 60 165.466 -12.832 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 60 165.096 -11.200 -5.398 1.00 0.00 H new ATOM 974 N TYR A 61 168.944 -12.641 -2.392 1.00 0.00 N ATOM 975 CA TYR A 61 170.286 -12.789 -1.840 1.00 0.00 C ATOM 976 C TYR A 61 170.469 -14.176 -1.233 1.00 0.00 C ATOM 977 O TYR A 61 170.029 -14.440 -0.112 1.00 0.00 O ATOM 978 CB TYR A 61 170.553 -11.710 -0.785 1.00 0.00 C ATOM 979 CG TYR A 61 171.236 -10.480 -1.340 1.00 0.00 C ATOM 980 CD1 TYR A 61 172.348 -10.597 -2.166 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.770 -9.204 -1.044 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.973 -9.481 -2.681 1.00 0.00 C ATOM 983 CE2 TYR A 61 171.393 -8.083 -1.556 1.00 0.00 C ATOM 984 CZ TYR A 61 172.493 -8.227 -2.373 1.00 0.00 C ATOM 985 OH TYR A 61 173.112 -7.112 -2.885 1.00 0.00 O ATOM 0 H TYR A 61 168.339 -12.015 -1.861 1.00 0.00 H new ATOM 0 HA TYR A 61 171.004 -12.670 -2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 61 169.607 -11.416 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 61 171.171 -12.133 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.729 -11.578 -2.408 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.908 -9.088 -0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.835 -9.589 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 61 171.020 -7.098 -1.317 1.00 0.00 H new ATOM 0 HH TYR A 61 172.530 -6.692 -3.552 1.00 0.00 H new ATOM 995 N ARG A 62 171.121 -15.058 -1.989 1.00 0.00 N ATOM 996 CA ARG A 62 171.373 -16.425 -1.542 1.00 0.00 C ATOM 997 C ARG A 62 172.274 -16.444 -0.305 1.00 0.00 C ATOM 998 O ARG A 62 172.154 -17.332 0.540 1.00 0.00 O ATOM 999 CB ARG A 62 172.013 -17.238 -2.671 1.00 0.00 C ATOM 1000 CG ARG A 62 171.829 -18.740 -2.525 1.00 0.00 C ATOM 1001 CD ARG A 62 172.459 -19.498 -3.685 1.00 0.00 C ATOM 1002 NE ARG A 62 173.745 -20.092 -3.321 1.00 0.00 N ATOM 1003 CZ ARG A 62 173.875 -21.213 -2.604 1.00 0.00 C ATOM 1004 NH1 ARG A 62 172.798 -21.856 -2.155 1.00 0.00 N ATOM 1005 NH2 ARG A 62 175.085 -21.690 -2.330 1.00 0.00 N ATOM 0 H ARG A 62 171.485 -14.848 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 62 170.418 -16.875 -1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.587 -16.920 -3.622 1.00 0.00 H new ATOM 0 HB3 ARG A 62 173.079 -17.014 -2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 62 172.275 -19.072 -1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.766 -18.973 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 62 171.779 -20.283 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.599 -18.820 -4.527 1.00 0.00 H new ATOM 0 HE ARG A 62 174.595 -19.622 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 62 171.866 -21.494 -2.358 1.00 0.00 H new ATOM 0 HH12 ARG A 62 172.905 -22.711 -1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 62 175.914 -21.201 -2.667 1.00 0.00 H new ATOM 0 HH22 ARG A 62 175.184 -22.545 -1.783 1.00 0.00 H new ATOM 1019 N ASP A 63 173.173 -15.463 -0.205 1.00 0.00 N ATOM 1020 CA ASP A 63 174.090 -15.372 0.933 1.00 0.00 C ATOM 1021 C ASP A 63 174.708 -13.975 1.043 1.00 0.00 C ATOM 1022 O ASP A 63 174.500 -13.122 0.177 1.00 0.00 O ATOM 1023 CB ASP A 63 175.196 -16.437 0.821 1.00 0.00 C ATOM 1024 CG ASP A 63 176.075 -16.284 -0.417 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.729 -15.490 -1.321 1.00 0.00 O ATOM 1026 OD2 ASP A 63 177.115 -16.968 -0.480 1.00 0.00 O ATOM 0 H ASP A 63 173.286 -14.722 -0.897 1.00 0.00 H new ATOM 0 HA ASP A 63 173.513 -15.556 1.839 1.00 0.00 H new ATOM 0 HB2 ASP A 63 175.825 -16.389 1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 63 174.736 -17.425 0.809 1.00 0.00 H new ATOM 1031 N ALA A 64 175.473 -13.756 2.116 1.00 0.00 N ATOM 1032 CA ALA A 64 176.132 -12.468 2.353 1.00 0.00 C ATOM 1033 C ALA A 64 177.265 -12.214 1.354 1.00 0.00 C ATOM 1034 O ALA A 64 177.741 -11.083 1.227 1.00 0.00 O ATOM 1035 CB ALA A 64 176.663 -12.398 3.780 1.00 0.00 C ATOM 0 H ALA A 64 175.652 -14.456 2.836 1.00 0.00 H new ATOM 0 HA ALA A 64 175.385 -11.688 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 64 177.149 -11.436 3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 64 175.836 -12.508 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 64 177.384 -13.200 3.940 1.00 0.00 H new ATOM 1041 N GLN A 65 177.689 -13.265 0.642 1.00 0.00 N ATOM 1042 CA GLN A 65 178.759 -13.143 -0.345 1.00 0.00 C ATOM 1043 C GLN A 65 178.343 -12.194 -1.466 1.00 0.00 C ATOM 1044 O GLN A 65 179.103 -11.304 -1.850 1.00 0.00 O ATOM 1045 CB GLN A 65 179.116 -14.520 -0.919 1.00 0.00 C ATOM 1046 CG GLN A 65 180.595 -14.694 -1.225 1.00 0.00 C ATOM 1047 CD GLN A 65 181.315 -15.507 -0.166 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.942 -14.954 0.737 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.227 -16.830 -0.269 1.00 0.00 N ATOM 0 H GLN A 65 177.306 -14.206 0.733 1.00 0.00 H new ATOM 0 HA GLN A 65 179.640 -12.733 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 65 178.808 -15.289 -0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.544 -14.681 -1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 65 180.708 -15.183 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 65 181.064 -13.713 -1.307 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.697 -17.248 -1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.690 -17.427 0.417 1.00 0.00 H new ATOM 1058 N GLU A 66 177.124 -12.381 -1.974 1.00 0.00 N ATOM 1059 CA GLU A 66 176.593 -11.532 -3.039 1.00 0.00 C ATOM 1060 C GLU A 66 176.282 -10.126 -2.517 1.00 0.00 C ATOM 1061 O GLU A 66 176.460 -9.138 -3.231 1.00 0.00 O ATOM 1062 CB GLU A 66 175.330 -12.160 -3.637 1.00 0.00 C ATOM 1063 CG GLU A 66 175.384 -12.311 -5.149 1.00 0.00 C ATOM 1064 CD GLU A 66 174.704 -13.578 -5.637 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.481 -13.718 -5.424 1.00 0.00 O ATOM 1066 OE2 GLU A 66 175.397 -14.428 -6.234 1.00 0.00 O ATOM 0 H GLU A 66 176.486 -13.114 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 66 177.353 -11.449 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 66 175.174 -13.141 -3.187 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.469 -11.547 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 66 174.909 -11.447 -5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.425 -12.315 -5.473 1.00 0.00 H new ATOM 1073 N PHE A 67 175.819 -10.045 -1.264 1.00 0.00 N ATOM 1074 CA PHE A 67 175.486 -8.762 -0.643 1.00 0.00 C ATOM 1075 C PHE A 67 176.719 -7.870 -0.548 1.00 0.00 C ATOM 1076 O PHE A 67 176.695 -6.718 -0.985 1.00 0.00 O ATOM 1077 CB PHE A 67 174.892 -8.980 0.753 1.00 0.00 C ATOM 1078 CG PHE A 67 174.083 -7.815 1.260 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.688 -6.596 1.536 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.718 -7.940 1.464 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.946 -5.529 2.004 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.972 -6.875 1.932 1.00 0.00 C ATOM 1083 CZ PHE A 67 172.586 -5.669 2.202 1.00 0.00 C ATOM 0 H PHE A 67 175.667 -10.854 -0.662 1.00 0.00 H new ATOM 0 HA PHE A 67 174.745 -8.266 -1.270 1.00 0.00 H new ATOM 0 HB2 PHE A 67 174.260 -9.868 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 67 175.702 -9.180 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.751 -6.481 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 67 172.231 -8.881 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 67 174.429 -4.586 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.909 -6.986 2.086 1.00 0.00 H new ATOM 0 HZ PHE A 67 172.004 -4.836 2.568 1.00 0.00 H new ATOM 1093 N GLY A 68 177.796 -8.414 0.023 1.00 0.00 N ATOM 1094 CA GLY A 68 179.031 -7.661 0.164 1.00 0.00 C ATOM 1095 C GLY A 68 179.550 -7.136 -1.163 1.00 0.00 C ATOM 1096 O GLY A 68 180.140 -6.055 -1.218 1.00 0.00 O ATOM 0 H GLY A 68 177.832 -9.365 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.866 -6.824 0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 68 179.790 -8.297 0.621 1.00 0.00 H new ATOM 1100 N ALA A 69 179.323 -7.900 -2.238 1.00 0.00 N ATOM 1101 CA ALA A 69 179.765 -7.501 -3.574 1.00 0.00 C ATOM 1102 C ALA A 69 179.080 -6.209 -4.019 1.00 0.00 C ATOM 1103 O ALA A 69 179.729 -5.307 -4.551 1.00 0.00 O ATOM 1104 CB ALA A 69 179.501 -8.615 -4.582 1.00 0.00 C ATOM 0 H ALA A 69 178.836 -8.796 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 69 180.839 -7.317 -3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.837 -8.299 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.044 -9.512 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.433 -8.831 -4.614 1.00 0.00 H new ATOM 1110 N ASP A 70 177.767 -6.125 -3.792 1.00 0.00 N ATOM 1111 CA ASP A 70 176.993 -4.940 -4.168 1.00 0.00 C ATOM 1112 C ASP A 70 177.454 -3.704 -3.396 1.00 0.00 C ATOM 1113 O ASP A 70 177.483 -2.601 -3.943 1.00 0.00 O ATOM 1114 CB ASP A 70 175.498 -5.173 -3.926 1.00 0.00 C ATOM 1115 CG ASP A 70 174.853 -5.981 -5.035 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.153 -7.190 -5.141 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.045 -5.408 -5.795 1.00 0.00 O ATOM 0 H ASP A 70 177.218 -6.863 -3.350 1.00 0.00 H new ATOM 0 HA ASP A 70 177.161 -4.764 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.363 -5.691 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.992 -4.211 -3.839 1.00 0.00 H new ATOM 1122 N VAL A 71 177.819 -3.893 -2.127 1.00 0.00 N ATOM 1123 CA VAL A 71 178.281 -2.786 -1.292 1.00 0.00 C ATOM 1124 C VAL A 71 179.567 -2.183 -1.854 1.00 0.00 C ATOM 1125 O VAL A 71 179.679 -0.965 -2.001 1.00 0.00 O ATOM 1126 CB VAL A 71 178.523 -3.229 0.167 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.804 -2.022 1.050 1.00 0.00 C ATOM 1128 CG2 VAL A 71 177.334 -4.020 0.698 1.00 0.00 C ATOM 0 H VAL A 71 177.803 -4.798 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 71 177.491 -2.035 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 71 179.397 -3.880 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.972 -2.352 2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.691 -1.503 0.686 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.951 -1.345 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 71 177.528 -4.321 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 71 176.439 -3.399 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 177.183 -4.907 0.083 1.00 0.00 H new ATOM 1138 N ARG A 72 180.532 -3.046 -2.177 1.00 0.00 N ATOM 1139 CA ARG A 72 181.806 -2.599 -2.736 1.00 0.00 C ATOM 1140 C ARG A 72 181.597 -1.960 -4.108 1.00 0.00 C ATOM 1141 O ARG A 72 182.219 -0.945 -4.430 1.00 0.00 O ATOM 1142 CB ARG A 72 182.784 -3.772 -2.850 1.00 0.00 C ATOM 1143 CG ARG A 72 183.190 -4.366 -1.510 1.00 0.00 C ATOM 1144 CD ARG A 72 183.876 -3.335 -0.626 1.00 0.00 C ATOM 1145 NE ARG A 72 182.988 -2.819 0.417 1.00 0.00 N ATOM 1146 CZ ARG A 72 182.579 -3.531 1.473 1.00 0.00 C ATOM 1147 NH1 ARG A 72 182.949 -4.802 1.616 1.00 0.00 N ATOM 1148 NH2 ARG A 72 181.794 -2.970 2.387 1.00 0.00 N ATOM 0 H ARG A 72 180.454 -4.056 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 72 182.228 -1.853 -2.063 1.00 0.00 H new ATOM 0 HB2 ARG A 72 182.330 -4.553 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.679 -3.437 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 72 182.308 -4.754 -1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 72 183.860 -5.210 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.755 -3.784 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 72 184.228 -2.508 -1.242 1.00 0.00 H new ATOM 0 HE ARG A 72 182.661 -1.857 0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 72 183.549 -5.240 0.917 1.00 0.00 H new ATOM 0 HH12 ARG A 72 182.632 -5.337 2.424 1.00 0.00 H new ATOM 0 HH21 ARG A 72 181.504 -1.998 2.283 1.00 0.00 H new ATOM 0 HH22 ARG A 72 181.481 -3.512 3.193 1.00 0.00 H new ATOM 1162 N LEU A 73 180.711 -2.557 -4.909 1.00 0.00 N ATOM 1163 CA LEU A 73 180.411 -2.043 -6.244 1.00 0.00 C ATOM 1164 C LEU A 73 179.754 -0.666 -6.159 1.00 0.00 C ATOM 1165 O LEU A 73 180.082 0.237 -6.931 1.00 0.00 O ATOM 1166 CB LEU A 73 179.501 -3.015 -7.003 1.00 0.00 C ATOM 1167 CG LEU A 73 179.607 -2.948 -8.532 1.00 0.00 C ATOM 1168 CD1 LEU A 73 180.277 -4.200 -9.081 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.232 -2.762 -9.157 1.00 0.00 C ATOM 0 H LEU A 73 180.190 -3.396 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 73 181.351 -1.946 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.733 -4.031 -6.683 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.468 -2.819 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 73 180.223 -2.087 -8.793 1.00 0.00 H new ATOM 0 HD11 LEU A 73 180.342 -4.132 -10.167 1.00 0.00 H new ATOM 0 HD12 LEU A 73 181.279 -4.289 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 73 179.690 -5.077 -8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.329 -2.717 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.592 -3.601 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU A 73 177.789 -1.835 -8.793 1.00 0.00 H new ATOM 1181 N MET A 74 178.830 -0.511 -5.207 1.00 0.00 N ATOM 1182 CA MET A 74 178.131 0.756 -5.008 1.00 0.00 C ATOM 1183 C MET A 74 179.114 1.854 -4.615 1.00 0.00 C ATOM 1184 O MET A 74 179.077 2.954 -5.166 1.00 0.00 O ATOM 1185 CB MET A 74 177.051 0.612 -3.932 1.00 0.00 C ATOM 1186 CG MET A 74 176.146 1.829 -3.808 1.00 0.00 C ATOM 1187 SD MET A 74 175.259 1.880 -2.239 1.00 0.00 S ATOM 1188 CE MET A 74 176.507 2.590 -1.168 1.00 0.00 C ATOM 0 H MET A 74 178.550 -1.250 -4.562 1.00 0.00 H new ATOM 0 HA MET A 74 177.654 1.032 -5.949 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.440 -0.262 -4.157 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.530 0.427 -2.971 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.745 2.734 -3.912 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.427 1.827 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 74 176.108 2.686 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 74 177.384 1.943 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 74 176.789 3.574 -1.541 1.00 0.00 H new ATOM 1198 N PHE A 75 179.997 1.544 -3.664 1.00 0.00 N ATOM 1199 CA PHE A 75 180.999 2.504 -3.204 1.00 0.00 C ATOM 1200 C PHE A 75 181.885 2.959 -4.361 1.00 0.00 C ATOM 1201 O PHE A 75 182.289 4.122 -4.420 1.00 0.00 O ATOM 1202 CB PHE A 75 181.864 1.894 -2.095 1.00 0.00 C ATOM 1203 CG PHE A 75 181.828 2.662 -0.801 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.624 3.094 -0.265 1.00 0.00 C ATOM 1205 CD2 PHE A 75 183.001 2.950 -0.120 1.00 0.00 C ATOM 1206 CE1 PHE A 75 180.592 3.797 0.925 1.00 0.00 C ATOM 1207 CE2 PHE A 75 182.974 3.652 1.070 1.00 0.00 C ATOM 1208 CZ PHE A 75 181.768 4.076 1.592 1.00 0.00 C ATOM 0 H PHE A 75 180.038 0.637 -3.199 1.00 0.00 H new ATOM 0 HA PHE A 75 180.473 3.371 -2.804 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.532 0.873 -1.909 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.895 1.836 -2.443 1.00 0.00 H new ATOM 0 HD1 PHE A 75 179.701 2.879 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 75 183.947 2.622 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.648 4.128 1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 75 183.895 3.869 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 75 181.745 4.626 2.521 1.00 0.00 H new ATOM 1218 N SER A 76 182.183 2.036 -5.282 1.00 0.00 N ATOM 1219 CA SER A 76 183.019 2.348 -6.438 1.00 0.00 C ATOM 1220 C SER A 76 182.385 3.444 -7.294 1.00 0.00 C ATOM 1221 O SER A 76 183.057 4.405 -7.672 1.00 0.00 O ATOM 1222 CB SER A 76 183.263 1.098 -7.288 1.00 0.00 C ATOM 1223 OG SER A 76 184.146 0.202 -6.635 1.00 0.00 O ATOM 0 H SER A 76 181.857 1.070 -5.246 1.00 0.00 H new ATOM 0 HA SER A 76 183.977 2.710 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 76 182.315 0.599 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.680 1.386 -8.253 1.00 0.00 H new ATOM 0 HG SER A 76 183.675 -0.244 -5.900 1.00 0.00 H new ATOM 1229 N ASN A 77 181.088 3.304 -7.593 1.00 0.00 N ATOM 1230 CA ASN A 77 180.385 4.305 -8.400 1.00 0.00 C ATOM 1231 C ASN A 77 180.072 5.556 -7.575 1.00 0.00 C ATOM 1232 O ASN A 77 180.046 6.667 -8.109 1.00 0.00 O ATOM 1233 CB ASN A 77 179.106 3.725 -9.028 1.00 0.00 C ATOM 1234 CG ASN A 77 177.976 3.494 -8.037 1.00 0.00 C ATOM 1235 OD1 ASN A 77 177.496 4.428 -7.395 1.00 0.00 O ATOM 1236 ND2 ASN A 77 177.528 2.246 -7.924 1.00 0.00 N ATOM 0 H ASN A 77 180.511 2.518 -7.292 1.00 0.00 H new ATOM 0 HA ASN A 77 181.049 4.595 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 77 178.758 4.402 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.349 2.779 -9.512 1.00 0.00 H new ATOM 0 HD21 ASN A 77 176.759 2.036 -7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 77 177.953 1.500 -8.474 1.00 0.00 H new ATOM 1243 N CYS A 78 179.845 5.371 -6.272 1.00 0.00 N ATOM 1244 CA CYS A 78 179.545 6.490 -5.376 1.00 0.00 C ATOM 1245 C CYS A 78 180.731 7.451 -5.274 1.00 0.00 C ATOM 1246 O CYS A 78 180.544 8.656 -5.132 1.00 0.00 O ATOM 1247 CB CYS A 78 179.165 5.987 -3.978 1.00 0.00 C ATOM 1248 SG CYS A 78 177.441 6.293 -3.527 1.00 0.00 S ATOM 0 H CYS A 78 179.863 4.459 -5.815 1.00 0.00 H new ATOM 0 HA CYS A 78 178.697 7.027 -5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.359 4.916 -3.924 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.812 6.466 -3.243 1.00 0.00 H new ATOM 0 HG CYS A 78 177.396 6.973 -2.420 1.00 0.00 H new ATOM 1254 N TYR A 79 181.951 6.912 -5.350 1.00 0.00 N ATOM 1255 CA TYR A 79 183.165 7.732 -5.269 1.00 0.00 C ATOM 1256 C TYR A 79 183.193 8.794 -6.372 1.00 0.00 C ATOM 1257 O TYR A 79 183.643 9.918 -6.147 1.00 0.00 O ATOM 1258 CB TYR A 79 184.413 6.847 -5.370 1.00 0.00 C ATOM 1259 CG TYR A 79 185.630 7.412 -4.662 1.00 0.00 C ATOM 1260 CD1 TYR A 79 186.253 8.570 -5.117 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.160 6.781 -3.542 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.367 9.080 -4.476 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.272 7.287 -2.896 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.872 8.436 -3.367 1.00 0.00 C ATOM 1265 OH TYR A 79 188.982 8.941 -2.729 1.00 0.00 O ATOM 0 H TYR A 79 182.125 5.914 -5.467 1.00 0.00 H new ATOM 0 HA TYR A 79 183.159 8.239 -4.304 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.185 5.866 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.655 6.697 -6.422 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.860 9.079 -5.985 1.00 0.00 H new ATOM 0 HD2 TYR A 79 185.695 5.880 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 79 187.839 9.979 -4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 79 187.669 6.785 -2.026 1.00 0.00 H new ATOM 0 HH TYR A 79 189.208 8.370 -1.965 1.00 0.00 H new ATOM 1275 N LYS A 80 182.710 8.432 -7.561 1.00 0.00 N ATOM 1276 CA LYS A 80 182.682 9.354 -8.694 1.00 0.00 C ATOM 1277 C LYS A 80 181.609 10.429 -8.506 1.00 0.00 C ATOM 1278 O LYS A 80 181.826 11.594 -8.839 1.00 0.00 O ATOM 1279 CB LYS A 80 182.439 8.588 -9.999 1.00 0.00 C ATOM 1280 CG LYS A 80 182.572 9.445 -11.250 1.00 0.00 C ATOM 1281 CD LYS A 80 182.773 8.593 -12.495 1.00 0.00 C ATOM 1282 CE LYS A 80 184.246 8.459 -12.853 1.00 0.00 C ATOM 1283 NZ LYS A 80 184.582 7.092 -13.345 1.00 0.00 N ATOM 0 H LYS A 80 182.333 7.506 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 80 183.652 9.848 -8.748 1.00 0.00 H new ATOM 0 HB2 LYS A 80 183.146 7.760 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 80 181.440 8.153 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 80 181.678 10.058 -11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 80 183.414 10.128 -11.136 1.00 0.00 H new ATOM 0 HD2 LYS A 80 182.347 7.603 -12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 80 182.234 9.038 -13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 80 184.501 9.192 -13.619 1.00 0.00 H new ATOM 0 HE3 LYS A 80 184.854 8.688 -11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.595 7.046 -13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 184.364 6.394 -12.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.022 6.882 -14.196 1.00 0.00 H new ATOM 1297 N TYR A 81 180.451 10.030 -7.976 1.00 0.00 N ATOM 1298 CA TYR A 81 179.346 10.963 -7.752 1.00 0.00 C ATOM 1299 C TYR A 81 179.568 11.814 -6.498 1.00 0.00 C ATOM 1300 O TYR A 81 179.241 13.002 -6.486 1.00 0.00 O ATOM 1301 CB TYR A 81 178.021 10.203 -7.638 1.00 0.00 C ATOM 1302 CG TYR A 81 176.834 10.971 -8.180 1.00 0.00 C ATOM 1303 CD1 TYR A 81 176.599 11.050 -9.547 1.00 0.00 C ATOM 1304 CD2 TYR A 81 175.949 11.616 -7.324 1.00 0.00 C ATOM 1305 CE1 TYR A 81 175.515 11.749 -10.046 1.00 0.00 C ATOM 1306 CE2 TYR A 81 174.864 12.317 -7.815 1.00 0.00 C ATOM 1307 CZ TYR A 81 174.651 12.380 -9.176 1.00 0.00 C ATOM 1308 OH TYR A 81 173.570 13.074 -9.669 1.00 0.00 O ATOM 0 H TYR A 81 180.255 9.069 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 81 179.305 11.634 -8.610 1.00 0.00 H new ATOM 0 HB2 TYR A 81 178.107 9.257 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 81 177.839 9.961 -6.591 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.274 10.557 -10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 81 176.112 11.569 -6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 81 175.346 11.800 -11.111 1.00 0.00 H new ATOM 0 HE2 TYR A 81 174.186 12.813 -7.136 1.00 0.00 H new ATOM 0 HH TYR A 81 173.061 13.458 -8.925 1.00 0.00 H new ATOM 1318 N ASN A 82 180.119 11.202 -5.446 1.00 0.00 N ATOM 1319 CA ASN A 82 180.376 11.909 -4.189 1.00 0.00 C ATOM 1320 C ASN A 82 181.376 13.047 -4.393 1.00 0.00 C ATOM 1321 O ASN A 82 182.458 12.839 -4.947 1.00 0.00 O ATOM 1322 CB ASN A 82 180.902 10.943 -3.120 1.00 0.00 C ATOM 1323 CG ASN A 82 179.789 10.311 -2.301 1.00 0.00 C ATOM 1324 OD1 ASN A 82 178.734 10.912 -2.095 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.020 9.092 -1.822 1.00 0.00 N ATOM 0 H ASN A 82 180.395 10.220 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 82 179.431 12.332 -3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 82 181.484 10.157 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 82 181.578 11.478 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.310 8.621 -1.261 1.00 0.00 H new ATOM 0 HD22 ASN A 82 180.907 8.628 -2.015 1.00 0.00 H new ATOM 1332 N PRO A 83 181.025 14.269 -3.945 1.00 0.00 N ATOM 1333 CA PRO A 83 181.895 15.440 -4.082 1.00 0.00 C ATOM 1334 C PRO A 83 183.037 15.439 -3.066 1.00 0.00 C ATOM 1335 O PRO A 83 182.826 15.158 -1.885 1.00 0.00 O ATOM 1336 CB PRO A 83 180.946 16.609 -3.825 1.00 0.00 C ATOM 1337 CG PRO A 83 179.912 16.057 -2.907 1.00 0.00 C ATOM 1338 CD PRO A 83 179.753 14.604 -3.272 1.00 0.00 C ATOM 0 HA PRO A 83 182.386 15.476 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 83 181.468 17.452 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 83 180.501 16.970 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.219 16.165 -1.867 1.00 0.00 H new ATOM 0 HG3 PRO A 83 178.968 16.591 -3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 83 179.592 13.985 -2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 83 178.899 14.448 -3.931 1.00 0.00 H new ATOM 1346 N PRO A 84 184.269 15.755 -3.514 1.00 0.00 N ATOM 1347 CA PRO A 84 185.450 15.787 -2.638 1.00 0.00 C ATOM 1348 C PRO A 84 185.276 16.746 -1.460 1.00 0.00 C ATOM 1349 O PRO A 84 184.925 17.913 -1.647 1.00 0.00 O ATOM 1350 CB PRO A 84 186.574 16.272 -3.559 1.00 0.00 C ATOM 1351 CG PRO A 84 186.105 15.961 -4.938 1.00 0.00 C ATOM 1352 CD PRO A 84 184.610 16.100 -4.907 1.00 0.00 C ATOM 0 HA PRO A 84 185.643 14.813 -2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 84 186.753 17.340 -3.435 1.00 0.00 H new ATOM 0 HB3 PRO A 84 187.512 15.764 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 84 186.546 16.645 -5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 84 186.397 14.953 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.294 17.112 -5.160 1.00 0.00 H new ATOM 0 HD3 PRO A 84 184.128 15.429 -5.618 1.00 0.00 H new ATOM 1360 N ASP A 85 185.524 16.239 -0.248 1.00 0.00 N ATOM 1361 CA ASP A 85 185.399 17.033 0.977 1.00 0.00 C ATOM 1362 C ASP A 85 183.945 17.444 1.223 1.00 0.00 C ATOM 1363 O ASP A 85 183.582 18.613 1.071 1.00 0.00 O ATOM 1364 CB ASP A 85 186.303 18.275 0.914 1.00 0.00 C ATOM 1365 CG ASP A 85 186.872 18.658 2.270 1.00 0.00 C ATOM 1366 OD1 ASP A 85 186.121 18.617 3.269 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.072 18.999 2.333 1.00 0.00 O ATOM 0 H ASP A 85 185.815 15.274 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 85 185.721 16.410 1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 85 187.123 18.087 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 85 185.733 19.114 0.514 1.00 0.00 H new ATOM 1372 N HIS A 86 183.115 16.473 1.603 1.00 0.00 N ATOM 1373 CA HIS A 86 181.702 16.731 1.867 1.00 0.00 C ATOM 1374 C HIS A 86 181.209 15.918 3.064 1.00 0.00 C ATOM 1375 O HIS A 86 181.689 14.810 3.314 1.00 0.00 O ATOM 1376 CB HIS A 86 180.868 16.405 0.626 1.00 0.00 C ATOM 1377 CG HIS A 86 179.538 17.097 0.581 1.00 0.00 C ATOM 1378 ND1 HIS A 86 179.253 18.250 1.287 1.00 0.00 N ATOM 1379 CD2 HIS A 86 178.410 16.790 -0.100 1.00 0.00 C ATOM 1380 CE1 HIS A 86 178.009 18.618 1.039 1.00 0.00 C ATOM 1381 NE2 HIS A 86 177.477 17.749 0.201 1.00 0.00 N ATOM 0 H HIS A 86 183.397 15.502 1.734 1.00 0.00 H new ATOM 0 HA HIS A 86 181.587 17.788 2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 86 181.437 16.678 -0.263 1.00 0.00 H new ATOM 0 HB3 HIS A 86 180.706 15.328 0.583 1.00 0.00 H new ATOM 0 HD2 HIS A 86 178.270 15.946 -0.759 1.00 0.00 H new ATOM 0 HE1 HIS A 86 177.512 19.483 1.452 1.00 0.00 H new ATOM 0 HE2 HIS A 86 176.525 17.785 -0.164 1.00 0.00 H new ATOM 1390 N GLU A 87 180.249 16.482 3.799 1.00 0.00 N ATOM 1391 CA GLU A 87 179.683 15.826 4.977 1.00 0.00 C ATOM 1392 C GLU A 87 179.118 14.450 4.630 1.00 0.00 C ATOM 1393 O GLU A 87 179.325 13.485 5.368 1.00 0.00 O ATOM 1394 CB GLU A 87 178.588 16.699 5.596 1.00 0.00 C ATOM 1395 CG GLU A 87 179.126 17.906 6.352 1.00 0.00 C ATOM 1396 CD GLU A 87 179.109 19.183 5.527 1.00 0.00 C ATOM 1397 OE1 GLU A 87 179.548 19.147 4.356 1.00 0.00 O ATOM 1398 OE2 GLU A 87 178.659 20.221 6.054 1.00 0.00 O ATOM 0 H GLU A 87 179.846 17.397 3.597 1.00 0.00 H new ATOM 0 HA GLU A 87 180.487 15.690 5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 87 177.920 17.043 4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.991 16.091 6.276 1.00 0.00 H new ATOM 0 HG2 GLU A 87 178.533 18.056 7.254 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.148 17.701 6.672 1.00 0.00 H new ATOM 1405 N VAL A 88 178.409 14.363 3.503 1.00 0.00 N ATOM 1406 CA VAL A 88 177.825 13.095 3.067 1.00 0.00 C ATOM 1407 C VAL A 88 178.910 12.051 2.801 1.00 0.00 C ATOM 1408 O VAL A 88 178.717 10.864 3.070 1.00 0.00 O ATOM 1409 CB VAL A 88 176.959 13.258 1.797 1.00 0.00 C ATOM 1410 CG1 VAL A 88 175.762 14.158 2.075 1.00 0.00 C ATOM 1411 CG2 VAL A 88 177.787 13.793 0.634 1.00 0.00 C ATOM 0 H VAL A 88 178.227 15.150 2.880 1.00 0.00 H new ATOM 0 HA VAL A 88 177.184 12.757 3.881 1.00 0.00 H new ATOM 0 HB VAL A 88 176.586 12.274 1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 88 175.165 14.260 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.152 13.718 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.111 15.141 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 88 177.153 13.898 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 88 178.202 14.765 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 88 178.599 13.099 0.416 1.00 0.00 H new ATOM 1421 N VAL A 89 180.052 12.502 2.278 1.00 0.00 N ATOM 1422 CA VAL A 89 181.170 11.609 1.980 1.00 0.00 C ATOM 1423 C VAL A 89 181.756 11.026 3.263 1.00 0.00 C ATOM 1424 O VAL A 89 182.018 9.824 3.343 1.00 0.00 O ATOM 1425 CB VAL A 89 182.286 12.334 1.198 1.00 0.00 C ATOM 1426 CG1 VAL A 89 183.364 11.352 0.769 1.00 0.00 C ATOM 1427 CG2 VAL A 89 181.713 13.067 -0.008 1.00 0.00 C ATOM 0 H VAL A 89 180.226 13.482 2.052 1.00 0.00 H new ATOM 0 HA VAL A 89 180.776 10.804 1.360 1.00 0.00 H new ATOM 0 HB VAL A 89 182.740 13.073 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 89 184.141 11.882 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 89 183.800 10.882 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 89 182.925 10.587 0.129 1.00 0.00 H new ATOM 0 HG21 VAL A 89 182.518 13.571 -0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 89 181.227 12.352 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 89 180.983 13.804 0.327 1.00 0.00 H new ATOM 1437 N ALA A 90 181.953 11.883 4.267 1.00 0.00 N ATOM 1438 CA ALA A 90 182.499 11.449 5.552 1.00 0.00 C ATOM 1439 C ALA A 90 181.612 10.380 6.185 1.00 0.00 C ATOM 1440 O ALA A 90 182.109 9.418 6.774 1.00 0.00 O ATOM 1441 CB ALA A 90 182.652 12.635 6.495 1.00 0.00 C ATOM 0 H ALA A 90 181.743 12.880 4.214 1.00 0.00 H new ATOM 0 HA ALA A 90 183.483 11.016 5.373 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.060 12.293 7.446 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.328 13.367 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.678 13.095 6.662 1.00 0.00 H new ATOM 1447 N MET A 91 180.295 10.553 6.051 1.00 0.00 N ATOM 1448 CA MET A 91 179.334 9.600 6.601 1.00 0.00 C ATOM 1449 C MET A 91 179.491 8.231 5.940 1.00 0.00 C ATOM 1450 O MET A 91 179.472 7.203 6.619 1.00 0.00 O ATOM 1451 CB MET A 91 177.902 10.111 6.417 1.00 0.00 C ATOM 1452 CG MET A 91 177.510 11.200 7.403 1.00 0.00 C ATOM 1453 SD MET A 91 176.151 12.221 6.805 1.00 0.00 S ATOM 1454 CE MET A 91 175.697 13.087 8.305 1.00 0.00 C ATOM 0 H MET A 91 179.872 11.344 5.566 1.00 0.00 H new ATOM 0 HA MET A 91 179.534 9.496 7.667 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.790 10.494 5.403 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.211 9.274 6.520 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.226 10.742 8.350 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.375 11.833 7.602 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.866 13.761 8.099 1.00 0.00 H new ATOM 0 HE2 MET A 91 175.399 12.365 9.066 1.00 0.00 H new ATOM 0 HE3 MET A 91 176.550 13.663 8.665 1.00 0.00 H new ATOM 1464 N ALA A 92 179.655 8.228 4.614 1.00 0.00 N ATOM 1465 CA ALA A 92 179.825 6.987 3.859 1.00 0.00 C ATOM 1466 C ALA A 92 181.039 6.204 4.355 1.00 0.00 C ATOM 1467 O ALA A 92 180.945 5.003 4.611 1.00 0.00 O ATOM 1468 CB ALA A 92 179.957 7.281 2.370 1.00 0.00 C ATOM 0 H ALA A 92 179.673 9.073 4.042 1.00 0.00 H new ATOM 0 HA ALA A 92 178.938 6.374 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.083 6.346 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.059 7.788 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 92 180.824 7.919 2.201 1.00 0.00 H new ATOM 1474 N ARG A 93 182.177 6.892 4.494 1.00 0.00 N ATOM 1475 CA ARG A 93 183.407 6.256 4.969 1.00 0.00 C ATOM 1476 C ARG A 93 183.171 5.557 6.309 1.00 0.00 C ATOM 1477 O ARG A 93 183.608 4.422 6.508 1.00 0.00 O ATOM 1478 CB ARG A 93 184.537 7.285 5.100 1.00 0.00 C ATOM 1479 CG ARG A 93 185.549 7.227 3.963 1.00 0.00 C ATOM 1480 CD ARG A 93 185.520 8.491 3.115 1.00 0.00 C ATOM 1481 NE ARG A 93 186.676 9.353 3.367 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.102 10.300 2.523 1.00 0.00 C ATOM 1483 NH1 ARG A 93 186.480 10.505 1.364 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.158 11.042 2.838 1.00 0.00 N ATOM 0 H ARG A 93 182.270 7.886 4.285 1.00 0.00 H new ATOM 0 HA ARG A 93 183.704 5.508 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.104 8.285 5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.055 7.125 6.045 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.549 7.088 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.339 6.362 3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.496 8.218 2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 93 184.604 9.045 3.322 1.00 0.00 H new ATOM 0 HE ARG A 93 187.188 9.224 4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 93 185.671 9.938 1.112 1.00 0.00 H new ATOM 0 HH12 ARG A 93 186.813 11.229 0.728 1.00 0.00 H new ATOM 0 HH21 ARG A 93 188.643 10.889 3.722 1.00 0.00 H new ATOM 0 HH22 ARG A 93 188.484 11.764 2.196 1.00 0.00 H new ATOM 1498 N LYS A 94 182.464 6.235 7.217 1.00 0.00 N ATOM 1499 CA LYS A 94 182.157 5.670 8.531 1.00 0.00 C ATOM 1500 C LYS A 94 181.270 4.430 8.394 1.00 0.00 C ATOM 1501 O LYS A 94 181.440 3.456 9.129 1.00 0.00 O ATOM 1502 CB LYS A 94 181.466 6.711 9.418 1.00 0.00 C ATOM 1503 CG LYS A 94 181.755 6.537 10.903 1.00 0.00 C ATOM 1504 CD LYS A 94 180.511 6.773 11.750 1.00 0.00 C ATOM 1505 CE LYS A 94 180.427 5.791 12.911 1.00 0.00 C ATOM 1506 NZ LYS A 94 181.066 6.325 14.148 1.00 0.00 N ATOM 0 H LYS A 94 182.095 7.174 7.066 1.00 0.00 H new ATOM 0 HA LYS A 94 183.097 5.377 8.999 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.783 7.707 9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.389 6.655 9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 94 182.134 5.531 11.085 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.538 7.232 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 94 180.521 7.793 12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 94 179.622 6.677 11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 94 179.381 5.561 13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.910 4.856 12.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.985 5.623 14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 182.070 6.521 13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.589 7.204 14.434 1.00 0.00 H new ATOM 1520 N LEU A 95 180.329 4.472 7.444 1.00 0.00 N ATOM 1521 CA LEU A 95 179.421 3.347 7.204 1.00 0.00 C ATOM 1522 C LEU A 95 180.197 2.097 6.783 1.00 0.00 C ATOM 1523 O LEU A 95 179.843 0.982 7.166 1.00 0.00 O ATOM 1524 CB LEU A 95 178.392 3.705 6.124 1.00 0.00 C ATOM 1525 CG LEU A 95 176.998 4.069 6.645 1.00 0.00 C ATOM 1526 CD1 LEU A 95 176.758 5.568 6.537 1.00 0.00 C ATOM 1527 CD2 LEU A 95 175.924 3.300 5.886 1.00 0.00 C ATOM 0 H LEU A 95 180.177 5.272 6.830 1.00 0.00 H new ATOM 0 HA LEU A 95 178.899 3.136 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.776 4.544 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.298 2.861 5.441 1.00 0.00 H new ATOM 0 HG LEU A 95 176.943 3.788 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 95 175.762 5.805 6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 95 177.504 6.099 7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.835 5.875 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 95 174.941 3.572 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 95 175.980 3.547 4.826 1.00 0.00 H new ATOM 0 HD23 LEU A 95 176.081 2.229 6.018 1.00 0.00 H new ATOM 1539 N GLN A 96 181.255 2.291 5.992 1.00 0.00 N ATOM 1540 CA GLN A 96 182.078 1.178 5.525 1.00 0.00 C ATOM 1541 C GLN A 96 182.868 0.559 6.677 1.00 0.00 C ATOM 1542 O GLN A 96 182.949 -0.664 6.792 1.00 0.00 O ATOM 1543 CB GLN A 96 183.040 1.641 4.427 1.00 0.00 C ATOM 1544 CG GLN A 96 183.564 0.506 3.558 1.00 0.00 C ATOM 1545 CD GLN A 96 185.077 0.391 3.589 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.765 0.888 2.698 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.604 -0.269 4.616 1.00 0.00 N ATOM 0 H GLN A 96 181.560 3.207 5.663 1.00 0.00 H new ATOM 0 HA GLN A 96 181.410 0.421 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.532 2.368 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.884 2.154 4.888 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.126 -0.434 3.893 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.237 0.661 2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.997 -0.665 5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.616 -0.379 4.687 1.00 0.00 H new ATOM 1556 N ASP A 97 183.454 1.411 7.523 1.00 0.00 N ATOM 1557 CA ASP A 97 184.243 0.945 8.665 1.00 0.00 C ATOM 1558 C ASP A 97 183.389 0.128 9.635 1.00 0.00 C ATOM 1559 O ASP A 97 183.798 -0.948 10.074 1.00 0.00 O ATOM 1560 CB ASP A 97 184.879 2.132 9.398 1.00 0.00 C ATOM 1561 CG ASP A 97 185.776 1.697 10.543 1.00 0.00 C ATOM 1562 OD1 ASP A 97 186.795 1.025 10.278 1.00 0.00 O ATOM 1563 OD2 ASP A 97 185.458 2.029 11.705 1.00 0.00 O ATOM 0 H ASP A 97 183.397 2.426 7.438 1.00 0.00 H new ATOM 0 HA ASP A 97 185.033 0.299 8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.460 2.723 8.690 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.092 2.780 9.784 1.00 0.00 H new ATOM 1568 N VAL A 98 182.202 0.643 9.963 1.00 0.00 N ATOM 1569 CA VAL A 98 181.294 -0.047 10.878 1.00 0.00 C ATOM 1570 C VAL A 98 180.798 -1.364 10.273 1.00 0.00 C ATOM 1571 O VAL A 98 180.742 -2.385 10.962 1.00 0.00 O ATOM 1572 CB VAL A 98 180.088 0.841 11.282 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.258 1.238 10.070 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.225 0.136 12.320 1.00 0.00 C ATOM 0 H VAL A 98 181.849 1.532 9.609 1.00 0.00 H new ATOM 0 HA VAL A 98 181.864 -0.266 11.781 1.00 0.00 H new ATOM 0 HB VAL A 98 180.483 1.755 11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.422 1.860 10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.879 1.798 9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.878 0.342 9.580 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.385 0.776 12.590 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.850 -0.800 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.822 -0.073 13.208 1.00 0.00 H new ATOM 1584 N PHE A 99 180.448 -1.339 8.984 1.00 0.00 N ATOM 1585 CA PHE A 99 179.966 -2.538 8.295 1.00 0.00 C ATOM 1586 C PHE A 99 181.066 -3.597 8.208 1.00 0.00 C ATOM 1587 O PHE A 99 180.845 -4.754 8.563 1.00 0.00 O ATOM 1588 CB PHE A 99 179.460 -2.189 6.891 1.00 0.00 C ATOM 1589 CG PHE A 99 178.266 -2.998 6.462 1.00 0.00 C ATOM 1590 CD1 PHE A 99 176.990 -2.656 6.887 1.00 0.00 C ATOM 1591 CD2 PHE A 99 178.418 -4.100 5.635 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.892 -3.397 6.494 1.00 0.00 C ATOM 1593 CE2 PHE A 99 177.323 -4.845 5.240 1.00 0.00 C ATOM 1594 CZ PHE A 99 176.058 -4.493 5.670 1.00 0.00 C ATOM 0 H PHE A 99 180.489 -0.505 8.399 1.00 0.00 H new ATOM 0 HA PHE A 99 179.138 -2.946 8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.201 -1.131 6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.268 -2.341 6.175 1.00 0.00 H new ATOM 0 HD1 PHE A 99 176.854 -1.801 7.532 1.00 0.00 H new ATOM 0 HD2 PHE A 99 179.404 -4.380 5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 99 174.904 -3.119 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 99 177.456 -5.702 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 99 175.201 -5.074 5.362 1.00 0.00 H new ATOM 1604 N GLU A 100 182.252 -3.194 7.737 1.00 0.00 N ATOM 1605 CA GLU A 100 183.385 -4.113 7.609 1.00 0.00 C ATOM 1606 C GLU A 100 183.759 -4.712 8.963 1.00 0.00 C ATOM 1607 O GLU A 100 184.009 -5.913 9.069 1.00 0.00 O ATOM 1608 CB GLU A 100 184.599 -3.398 7.002 1.00 0.00 C ATOM 1609 CG GLU A 100 185.371 -4.245 6.000 1.00 0.00 C ATOM 1610 CD GLU A 100 185.992 -5.477 6.631 1.00 0.00 C ATOM 1611 OE1 GLU A 100 187.038 -5.339 7.300 1.00 0.00 O ATOM 1612 OE2 GLU A 100 185.432 -6.579 6.456 1.00 0.00 O ATOM 0 H GLU A 100 182.450 -2.239 7.439 1.00 0.00 H new ATOM 0 HA GLU A 100 183.083 -4.921 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.263 -2.485 6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.272 -3.098 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.701 -4.552 5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 100 186.156 -3.639 5.547 1.00 0.00 H new ATOM 1619 N MET A 101 183.789 -3.871 9.998 1.00 0.00 N ATOM 1620 CA MET A 101 184.129 -4.324 11.346 1.00 0.00 C ATOM 1621 C MET A 101 183.146 -5.391 11.823 1.00 0.00 C ATOM 1622 O MET A 101 183.554 -6.437 12.333 1.00 0.00 O ATOM 1623 CB MET A 101 184.133 -3.146 12.324 1.00 0.00 C ATOM 1624 CG MET A 101 185.516 -2.567 12.574 1.00 0.00 C ATOM 1625 SD MET A 101 185.945 -2.511 14.326 1.00 0.00 S ATOM 1626 CE MET A 101 184.582 -1.551 14.983 1.00 0.00 C ATOM 0 H MET A 101 183.582 -2.875 9.928 1.00 0.00 H new ATOM 0 HA MET A 101 185.128 -4.759 11.313 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.484 -2.361 11.936 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.707 -3.471 13.273 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.256 -3.165 12.042 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.563 -1.559 12.161 1.00 0.00 H new ATOM 0 HE1 MET A 101 184.910 -1.016 15.875 1.00 0.00 H new ATOM 0 HE2 MET A 101 184.247 -0.835 14.233 1.00 0.00 H new ATOM 0 HE3 MET A 101 183.759 -2.217 15.242 1.00 0.00 H new ATOM 1636 N ARG A 102 181.851 -5.124 11.648 1.00 0.00 N ATOM 1637 CA ARG A 102 180.811 -6.068 12.054 1.00 0.00 C ATOM 1638 C ARG A 102 180.846 -7.327 11.184 1.00 0.00 C ATOM 1639 O ARG A 102 180.659 -8.438 11.683 1.00 0.00 O ATOM 1640 CB ARG A 102 179.426 -5.413 11.977 1.00 0.00 C ATOM 1641 CG ARG A 102 179.224 -4.271 12.965 1.00 0.00 C ATOM 1642 CD ARG A 102 179.379 -4.737 14.405 1.00 0.00 C ATOM 1643 NE ARG A 102 180.775 -4.720 14.843 1.00 0.00 N ATOM 1644 CZ ARG A 102 181.219 -5.320 15.951 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.380 -5.987 16.742 1.00 0.00 N ATOM 1646 NH2 ARG A 102 182.507 -5.254 16.270 1.00 0.00 N ATOM 0 H ARG A 102 181.499 -4.264 11.229 1.00 0.00 H new ATOM 0 HA ARG A 102 181.005 -6.356 13.087 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.269 -5.037 10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.666 -6.173 12.156 1.00 0.00 H new ATOM 0 HG2 ARG A 102 179.945 -3.480 12.759 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.232 -3.842 12.827 1.00 0.00 H new ATOM 0 HD2 ARG A 102 178.787 -4.096 15.058 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.981 -5.747 14.503 1.00 0.00 H new ATOM 0 HE ARG A 102 181.451 -4.219 14.267 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.390 -6.043 16.504 1.00 0.00 H new ATOM 0 HH12 ARG A 102 180.728 -6.442 17.586 1.00 0.00 H new ATOM 0 HH21 ARG A 102 183.156 -4.746 15.669 1.00 0.00 H new ATOM 0 HH22 ARG A 102 182.847 -5.712 17.116 1.00 0.00 H new ATOM 1660 N PHE A 103 181.090 -7.145 9.883 1.00 0.00 N ATOM 1661 CA PHE A 103 181.155 -8.266 8.943 1.00 0.00 C ATOM 1662 C PHE A 103 182.340 -9.181 9.258 1.00 0.00 C ATOM 1663 O PHE A 103 182.220 -10.406 9.206 1.00 0.00 O ATOM 1664 CB PHE A 103 181.264 -7.756 7.502 1.00 0.00 C ATOM 1665 CG PHE A 103 180.255 -8.364 6.568 1.00 0.00 C ATOM 1666 CD1 PHE A 103 180.448 -9.636 6.050 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.114 -7.665 6.208 1.00 0.00 C ATOM 1668 CE1 PHE A 103 179.522 -10.197 5.190 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.185 -8.221 5.349 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.389 -9.488 4.839 1.00 0.00 C ATOM 0 H PHE A 103 181.246 -6.231 9.457 1.00 0.00 H new ATOM 0 HA PHE A 103 180.235 -8.840 9.049 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.142 -6.673 7.499 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.266 -7.965 7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 103 181.332 -10.195 6.321 1.00 0.00 H new ATOM 0 HD2 PHE A 103 178.949 -6.674 6.603 1.00 0.00 H new ATOM 0 HE1 PHE A 103 179.684 -11.188 4.793 1.00 0.00 H new ATOM 0 HE2 PHE A 103 177.300 -7.665 5.077 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.664 -9.924 4.167 1.00 0.00 H new ATOM 1680 N ALA A 104 183.484 -8.576 9.584 1.00 0.00 N ATOM 1681 CA ALA A 104 184.692 -9.327 9.911 1.00 0.00 C ATOM 1682 C ALA A 104 184.511 -10.137 11.191 1.00 0.00 C ATOM 1683 O ALA A 104 185.073 -11.219 11.325 1.00 0.00 O ATOM 1684 CB ALA A 104 185.884 -8.389 10.048 1.00 0.00 C ATOM 0 H ALA A 104 183.597 -7.563 9.628 1.00 0.00 H new ATOM 0 HA ALA A 104 184.882 -10.022 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.775 -8.967 10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.040 -7.860 9.108 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.690 -7.668 10.842 1.00 0.00 H new ATOM 1690 N LYS A 105 183.722 -9.608 12.128 1.00 0.00 N ATOM 1691 CA LYS A 105 183.471 -10.294 13.395 1.00 0.00 C ATOM 1692 C LYS A 105 182.610 -11.541 13.184 1.00 0.00 C ATOM 1693 O LYS A 105 182.900 -12.601 13.739 1.00 0.00 O ATOM 1694 CB LYS A 105 182.791 -9.352 14.393 1.00 0.00 C ATOM 1695 CG LYS A 105 183.162 -9.633 15.841 1.00 0.00 C ATOM 1696 CD LYS A 105 183.219 -8.354 16.659 1.00 0.00 C ATOM 1697 CE LYS A 105 184.053 -8.534 17.918 1.00 0.00 C ATOM 1698 NZ LYS A 105 185.483 -8.175 17.698 1.00 0.00 N ATOM 0 H LYS A 105 183.248 -8.710 12.033 1.00 0.00 H new ATOM 0 HA LYS A 105 184.434 -10.604 13.801 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.059 -8.324 14.150 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.710 -9.435 14.280 1.00 0.00 H new ATOM 0 HG2 LYS A 105 182.432 -10.314 16.279 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.129 -10.134 15.879 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.641 -7.552 16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.208 -8.050 16.931 1.00 0.00 H new ATOM 0 HE2 LYS A 105 183.643 -7.915 18.716 1.00 0.00 H new ATOM 0 HE3 LYS A 105 183.987 -9.570 18.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 186.015 -8.312 18.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 185.883 -8.782 16.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 185.550 -7.179 17.405 1.00 0.00 H new ATOM 1712 N MET A 106 181.553 -11.409 12.377 1.00 0.00 N ATOM 1713 CA MET A 106 180.659 -12.533 12.094 1.00 0.00 C ATOM 1714 C MET A 106 181.360 -13.593 11.242 1.00 0.00 C ATOM 1715 O MET A 106 181.092 -14.787 11.384 1.00 0.00 O ATOM 1716 CB MET A 106 179.373 -12.057 11.401 1.00 0.00 C ATOM 1717 CG MET A 106 179.595 -11.366 10.063 1.00 0.00 C ATOM 1718 SD MET A 106 178.200 -11.567 8.937 1.00 0.00 S ATOM 1719 CE MET A 106 178.483 -13.232 8.339 1.00 0.00 C ATOM 0 H MET A 106 181.297 -10.539 11.911 1.00 0.00 H new ATOM 0 HA MET A 106 180.387 -12.984 13.048 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.719 -12.915 11.248 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.849 -11.371 12.067 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.770 -10.304 10.232 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.494 -11.767 9.596 1.00 0.00 H new ATOM 0 HE1 MET A 106 177.530 -13.692 8.078 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.123 -13.198 7.457 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.968 -13.821 9.117 1.00 0.00 H new ATOM 1729 N LEU A 107 182.255 -13.151 10.357 1.00 0.00 N ATOM 1730 CA LEU A 107 182.990 -14.065 9.487 1.00 0.00 C ATOM 1731 C LEU A 107 184.215 -14.642 10.197 1.00 0.00 C ATOM 1732 O LEU A 107 184.508 -15.831 10.068 1.00 0.00 O ATOM 1733 CB LEU A 107 183.412 -13.352 8.200 1.00 0.00 C ATOM 1734 CG LEU A 107 182.393 -13.419 7.058 1.00 0.00 C ATOM 1735 CD1 LEU A 107 182.879 -12.609 5.865 1.00 0.00 C ATOM 1736 CD2 LEU A 107 182.128 -14.866 6.658 1.00 0.00 C ATOM 0 H LEU A 107 182.487 -12.166 10.225 1.00 0.00 H new ATOM 0 HA LEU A 107 182.326 -14.892 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 107 183.608 -12.305 8.430 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.351 -13.784 7.854 1.00 0.00 H new ATOM 0 HG LEU A 107 181.455 -12.987 7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 107 182.144 -12.667 5.062 1.00 0.00 H new ATOM 0 HD12 LEU A 107 183.012 -11.568 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 107 183.830 -13.011 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.402 -14.892 5.846 1.00 0.00 H new ATOM 0 HD22 LEU A 107 183.058 -15.328 6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 107 181.734 -15.414 7.514 1.00 0.00 H new ATOM 1748 N GLN A 108 184.928 -13.796 10.942 1.00 0.00 N ATOM 1749 CA GLN A 108 186.121 -14.230 11.669 1.00 0.00 C ATOM 1750 C GLN A 108 186.044 -13.826 13.142 1.00 0.00 C ATOM 1751 O GLN A 108 186.194 -12.621 13.440 1.00 0.00 O ATOM 1752 CB GLN A 108 187.379 -13.645 11.021 1.00 0.00 C ATOM 1753 CG GLN A 108 188.019 -14.566 9.994 1.00 0.00 C ATOM 1754 CD GLN A 108 188.807 -13.810 8.940 1.00 0.00 C ATOM 1755 OE1 GLN A 108 188.246 -13.025 8.176 1.00 0.00 O ATOM 1756 NE2 GLN A 108 190.116 -14.042 8.891 1.00 0.00 N ATOM 0 H GLN A 108 184.700 -12.808 11.057 1.00 0.00 H new ATOM 0 HA GLN A 108 186.172 -15.318 11.619 1.00 0.00 H new ATOM 0 HB2 GLN A 108 187.124 -12.700 10.541 1.00 0.00 H new ATOM 0 HB3 GLN A 108 188.108 -13.421 11.800 1.00 0.00 H new ATOM 0 HG2 GLN A 108 188.680 -15.267 10.503 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.242 -15.156 9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 108 190.542 -14.701 9.543 1.00 0.00 H new ATOM 0 HE22 GLN A 108 190.694 -13.561 8.202 1.00 0.00 H new TER 1765 GLN A 108