USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 944 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: B 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 29 SER OG : rot 180:sc= -0.0893 USER MOD Set 2.1: A 58 THR OG1 : rot 34:sc= 0.114 USER MOD Set 2.2: A 61 THR OG1 : rot 180:sc= 0.0939 USER MOD Set 2.3: B 8 GLN : amide:sc= -2.39! K(o=-2.2!,f=1.5) USER MOD Set 2.4: B 14 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 54 THR OG1 : rot -46:sc= 0.911 USER MOD Set 3.2: B 46 LYS NZ :NH3+ -155:sc= 1.74 (180deg=1.08) USER MOD Set 4.1: A 48 ASN : amide:sc= -0.0563 X(o=-0.23,f=-0.57) USER MOD Set 4.2: B 1 MET CE :methyl -141:sc= -0.174 (180deg=-0.319) USER MOD Set 5.1: A 46 LYS NZ :NH3+ -153:sc= 1.63 (180deg=0.717) USER MOD Set 5.2: B 54 THR OG1 : rot 180:sc= 0.493 USER MOD Set 6.1: A 28 SER OG : rot 180:sc= 0.0994 USER MOD Set 6.2: A 29 SER OG : rot 83:sc= 0.1 USER MOD Set 7.1: A 19 LYS NZ :NH3+ -142:sc= 1.07 (180deg=-0.172) USER MOD Set 7.2: A 25 THR OG1 : rot 160:sc= 0.923 USER MOD Set 8.1: A 8 GLN : amide:sc= -1.33 K(o=-1.3,f=-2.1!) USER MOD Set 8.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -151:sc= -0.0832 (180deg=-0.313) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot -130:sc= -1.23 USER MOD Single : A 3 LYS NZ :NH3+ -129:sc= -0.107 (180deg=-2.43) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 6:sc= 0.443 USER MOD Single : A 22 ASN : amide:sc= -0.0385 X(o=-0.038,f=-0.038) USER MOD Single : A 26 MET CE :methyl -160:sc= -5.61! (180deg=-7.38!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= -2.2! (180deg=-2.57!) USER MOD Single : A 37 SER OG : rot -160:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.263 X(o=-0.26,f=0.05) USER MOD Single : A 44 SER OG : rot 100:sc= -0.343 USER MOD Single : A 49 SER OG : rot 90:sc= 0.462 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 TYR OH : rot -130:sc= -0.775 USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 TYR OH : rot 165:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ -148:sc= 0.239 (180deg=-0.371) USER MOD Single : B 19 LYS NZ :NH3+ -113:sc= 1.08 (180deg=-0.0535) USER MOD Single : B 21 SER OG : rot 2:sc= 0.0914 USER MOD Single : B 22 ASN : amide:sc= -1.12 K(o=-1.1,f=-11!) USER MOD Single : B 25 THR OG1 : rot 160:sc= -0.189 USER MOD Single : B 26 MET CE :methyl -156:sc= -5.88! (180deg=-7.48!) USER MOD Single : B 32 TYR OH : rot 32:sc= 0.0881 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 SER OG : rot -160:sc= 0 USER MOD Single : B 40 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0.012) USER MOD Single : B 44 SER OG : rot 110:sc= -0.448 USER MOD Single : B 48 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.5) USER MOD Single : B 49 SER OG : rot 90:sc= 0.328 USER MOD Single : B 58 THR OG1 : rot -34:sc= 0.937 USER MOD Single : B 59 THR OG1 : rot -64:sc= 0.63 USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.00392 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.218 7.872 9.679 1.00 0.00 N ATOM 2 CA MET A 1 -12.227 8.066 8.209 1.00 0.00 C ATOM 3 C MET A 1 -11.495 6.888 7.561 1.00 0.00 C ATOM 4 O MET A 1 -12.115 5.986 6.988 1.00 0.00 O ATOM 5 CB MET A 1 -11.563 9.427 7.848 1.00 0.00 C ATOM 6 CG MET A 1 -11.652 9.842 6.370 1.00 0.00 C ATOM 7 SD MET A 1 -10.581 11.250 5.968 1.00 0.00 S ATOM 8 CE MET A 1 -11.002 12.436 7.250 1.00 0.00 C ATOM 0 H1 MET A 1 -12.712 8.664 10.137 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.700 6.981 9.915 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.236 7.834 10.018 1.00 0.00 H new ATOM 0 HA MET A 1 -13.249 8.095 7.832 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.024 10.207 8.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.511 9.384 8.131 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.380 8.994 5.742 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.684 10.097 6.131 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.855 13.448 6.872 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.045 12.305 7.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.362 12.276 8.118 1.00 0.00 H new ATOM 18 N TYR A 2 -10.164 6.901 7.705 1.00 0.00 N ATOM 19 CA TYR A 2 -9.274 5.826 7.266 1.00 0.00 C ATOM 20 C TYR A 2 -7.925 5.959 7.973 1.00 0.00 C ATOM 21 O TYR A 2 -7.582 7.026 8.502 1.00 0.00 O ATOM 22 CB TYR A 2 -9.107 5.788 5.717 1.00 0.00 C ATOM 23 CG TYR A 2 -8.912 7.137 4.996 1.00 0.00 C ATOM 24 CD1 TYR A 2 -7.997 8.104 5.439 1.00 0.00 C ATOM 25 CD2 TYR A 2 -9.642 7.430 3.844 1.00 0.00 C ATOM 26 CE1 TYR A 2 -7.834 9.293 4.763 1.00 0.00 C ATOM 27 CE2 TYR A 2 -9.473 8.615 3.177 1.00 0.00 C ATOM 28 CZ TYR A 2 -8.575 9.533 3.636 1.00 0.00 C ATOM 29 OH TYR A 2 -8.418 10.700 2.963 1.00 0.00 O ATOM 0 H TYR A 2 -9.667 7.678 8.140 1.00 0.00 H new ATOM 0 HA TYR A 2 -9.729 4.875 7.542 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -8.251 5.154 5.485 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -9.987 5.303 5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.410 7.913 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -10.354 6.709 3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -7.128 10.029 5.118 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.051 8.822 2.288 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.296 11.105 2.802 1.00 0.00 H new ATOM 39 N LYS A 3 -7.158 4.872 7.947 1.00 0.00 N ATOM 40 CA LYS A 3 -5.864 4.782 8.629 1.00 0.00 C ATOM 41 C LYS A 3 -5.041 3.610 8.082 1.00 0.00 C ATOM 42 O LYS A 3 -5.524 2.825 7.253 1.00 0.00 O ATOM 43 CB LYS A 3 -6.021 4.709 10.196 1.00 0.00 C ATOM 44 CG LYS A 3 -7.230 3.921 10.758 1.00 0.00 C ATOM 45 CD LYS A 3 -7.284 2.431 10.357 1.00 0.00 C ATOM 46 CE LYS A 3 -8.381 1.689 11.139 1.00 0.00 C ATOM 47 NZ LYS A 3 -8.667 0.342 10.616 1.00 0.00 N ATOM 0 H LYS A 3 -7.417 4.020 7.449 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.317 5.701 8.418 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.112 4.267 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.078 5.729 10.576 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.214 3.988 11.846 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.147 4.405 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.474 2.345 9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.318 1.964 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -8.080 1.608 12.183 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -9.296 2.281 11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.691 0.238 10.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.169 0.207 9.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.343 -0.372 11.299 1.00 0.00 H new ATOM 61 N PHE A 4 -3.802 3.508 8.576 1.00 0.00 N ATOM 62 CA PHE A 4 -2.854 2.461 8.188 1.00 0.00 C ATOM 63 C PHE A 4 -2.853 1.366 9.253 1.00 0.00 C ATOM 64 O PHE A 4 -2.526 1.626 10.398 1.00 0.00 O ATOM 65 CB PHE A 4 -1.433 3.050 8.015 1.00 0.00 C ATOM 66 CG PHE A 4 -1.330 4.063 6.879 1.00 0.00 C ATOM 67 CD1 PHE A 4 -1.647 5.407 7.085 1.00 0.00 C ATOM 68 CD2 PHE A 4 -0.923 3.669 5.604 1.00 0.00 C ATOM 69 CE1 PHE A 4 -1.556 6.322 6.057 1.00 0.00 C ATOM 70 CE2 PHE A 4 -0.832 4.587 4.579 1.00 0.00 C ATOM 71 CZ PHE A 4 -1.148 5.910 4.808 1.00 0.00 C ATOM 0 H PHE A 4 -3.426 4.159 9.265 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.159 2.036 7.232 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.130 3.528 8.947 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.731 2.237 7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.968 5.735 8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.677 2.634 5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.804 7.359 6.231 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.513 4.270 3.597 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.075 6.627 4.003 1.00 0.00 H new ATOM 81 N GLU A 5 -3.249 0.154 8.870 1.00 0.00 N ATOM 82 CA GLU A 5 -3.274 -0.998 9.777 1.00 0.00 C ATOM 83 C GLU A 5 -1.971 -1.799 9.588 1.00 0.00 C ATOM 84 O GLU A 5 -1.794 -2.445 8.547 1.00 0.00 O ATOM 85 CB GLU A 5 -4.505 -1.897 9.508 1.00 0.00 C ATOM 86 CG GLU A 5 -5.862 -1.193 9.625 1.00 0.00 C ATOM 87 CD GLU A 5 -7.042 -2.175 9.613 1.00 0.00 C ATOM 88 OE1 GLU A 5 -7.340 -2.747 8.557 1.00 0.00 O ATOM 89 OE2 GLU A 5 -7.660 -2.386 10.671 1.00 0.00 O ATOM 0 H GLU A 5 -3.562 -0.060 7.923 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.350 -0.644 10.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.416 -2.318 8.506 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.485 -2.733 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.887 -0.612 10.547 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.973 -0.488 8.801 1.00 0.00 H new ATOM 96 N ILE A 6 -1.071 -1.743 10.586 1.00 0.00 N ATOM 97 CA ILE A 6 0.249 -2.399 10.522 1.00 0.00 C ATOM 98 C ILE A 6 0.188 -3.712 11.291 1.00 0.00 C ATOM 99 O ILE A 6 -0.106 -3.724 12.481 1.00 0.00 O ATOM 100 CB ILE A 6 1.379 -1.523 11.164 1.00 0.00 C ATOM 101 CG1 ILE A 6 1.314 -0.068 10.619 1.00 0.00 C ATOM 102 CG2 ILE A 6 2.781 -2.166 10.922 1.00 0.00 C ATOM 103 CD1 ILE A 6 2.123 0.928 11.415 1.00 0.00 C ATOM 0 H ILE A 6 -1.237 -1.242 11.459 1.00 0.00 H new ATOM 0 HA ILE A 6 0.484 -2.554 9.469 1.00 0.00 H new ATOM 0 HB ILE A 6 1.220 -1.482 12.242 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.665 -0.062 9.587 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.273 0.256 10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.551 -1.542 11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.808 -3.159 11.370 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.964 -2.247 9.851 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.023 1.917 10.968 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.759 0.955 12.442 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.172 0.632 11.410 1.00 0.00 H new ATOM 115 N TYR A 7 0.502 -4.795 10.623 1.00 0.00 N ATOM 116 CA TYR A 7 0.475 -6.127 11.218 1.00 0.00 C ATOM 117 C TYR A 7 1.700 -6.931 10.759 1.00 0.00 C ATOM 118 O TYR A 7 2.580 -6.405 10.073 1.00 0.00 O ATOM 119 CB TYR A 7 -0.864 -6.829 10.854 1.00 0.00 C ATOM 120 CG TYR A 7 -1.121 -6.950 9.336 1.00 0.00 C ATOM 121 CD1 TYR A 7 -1.761 -5.923 8.629 1.00 0.00 C ATOM 122 CD2 TYR A 7 -0.704 -8.069 8.614 1.00 0.00 C ATOM 123 CE1 TYR A 7 -1.966 -6.015 7.267 1.00 0.00 C ATOM 124 CE2 TYR A 7 -0.916 -8.163 7.252 1.00 0.00 C ATOM 125 CZ TYR A 7 -1.546 -7.133 6.583 1.00 0.00 C ATOM 126 OH TYR A 7 -1.747 -7.222 5.222 1.00 0.00 O ATOM 0 H TYR A 7 0.787 -4.787 9.644 1.00 0.00 H new ATOM 0 HA TYR A 7 0.527 -6.055 12.304 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.870 -7.827 11.293 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.687 -6.276 11.308 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.100 -5.045 9.159 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.206 -8.877 9.130 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.456 -5.210 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.590 -9.040 6.712 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.391 -8.074 4.894 1.00 0.00 H new ATOM 136 N GLN A 8 1.781 -8.183 11.208 1.00 0.00 N ATOM 137 CA GLN A 8 2.724 -9.173 10.661 1.00 0.00 C ATOM 138 C GLN A 8 1.936 -10.434 10.266 1.00 0.00 C ATOM 139 O GLN A 8 0.869 -10.713 10.835 1.00 0.00 O ATOM 140 CB GLN A 8 3.857 -9.506 11.672 1.00 0.00 C ATOM 141 CG GLN A 8 3.470 -10.507 12.778 1.00 0.00 C ATOM 142 CD GLN A 8 4.560 -10.740 13.834 1.00 0.00 C ATOM 143 OE1 GLN A 8 4.259 -11.031 14.989 1.00 0.00 O ATOM 144 NE2 GLN A 8 5.831 -10.650 13.444 1.00 0.00 N ATOM 0 H GLN A 8 1.197 -8.545 11.962 1.00 0.00 H new ATOM 0 HA GLN A 8 3.212 -8.757 9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.708 -9.907 11.122 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.189 -8.580 12.141 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.569 -10.148 13.276 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.220 -11.462 12.315 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.052 -10.407 12.478 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.583 -10.825 14.111 1.00 0.00 H new ATOM 153 N ASP A 9 2.452 -11.182 9.286 1.00 0.00 N ATOM 154 CA ASP A 9 1.795 -12.397 8.764 1.00 0.00 C ATOM 155 C ASP A 9 2.455 -13.654 9.386 1.00 0.00 C ATOM 156 O ASP A 9 3.383 -13.501 10.173 1.00 0.00 O ATOM 157 CB ASP A 9 1.882 -12.357 7.213 1.00 0.00 C ATOM 158 CG ASP A 9 1.010 -13.405 6.513 1.00 0.00 C ATOM 159 OD1 ASP A 9 -0.233 -13.302 6.588 1.00 0.00 O ATOM 160 OD2 ASP A 9 1.556 -14.354 5.913 1.00 0.00 O ATOM 0 H ASP A 9 3.338 -10.967 8.828 1.00 0.00 H new ATOM 0 HA ASP A 9 0.742 -12.440 9.041 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.588 -11.366 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.920 -12.504 6.914 1.00 0.00 H new ATOM 165 N LYS A 10 1.968 -14.874 9.017 1.00 0.00 N ATOM 166 CA LYS A 10 2.399 -16.195 9.583 1.00 0.00 C ATOM 167 C LYS A 10 3.938 -16.361 9.627 1.00 0.00 C ATOM 168 O LYS A 10 4.492 -16.915 10.584 1.00 0.00 O ATOM 169 CB LYS A 10 1.725 -17.359 8.776 1.00 0.00 C ATOM 170 CG LYS A 10 1.712 -18.764 9.460 1.00 0.00 C ATOM 171 CD LYS A 10 3.040 -19.558 9.342 1.00 0.00 C ATOM 172 CE LYS A 10 2.987 -20.923 10.056 1.00 0.00 C ATOM 173 NZ LYS A 10 4.267 -21.668 9.935 1.00 0.00 N ATOM 0 H LYS A 10 1.248 -14.972 8.301 1.00 0.00 H new ATOM 0 HA LYS A 10 2.066 -16.232 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.695 -17.074 8.562 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.236 -17.451 7.818 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.474 -18.636 10.516 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.910 -19.358 9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.272 -19.713 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.851 -18.964 9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.755 -20.771 11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.179 -21.521 9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.186 -22.579 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.477 -21.836 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.035 -21.110 10.360 1.00 0.00 H new ATOM 187 N ALA A 11 4.607 -15.833 8.600 1.00 0.00 N ATOM 188 CA ALA A 11 6.080 -15.925 8.450 1.00 0.00 C ATOM 189 C ALA A 11 6.792 -14.762 9.184 1.00 0.00 C ATOM 190 O ALA A 11 7.977 -14.498 8.956 1.00 0.00 O ATOM 191 CB ALA A 11 6.438 -15.947 6.965 1.00 0.00 C ATOM 0 H ALA A 11 4.151 -15.326 7.841 1.00 0.00 H new ATOM 0 HA ALA A 11 6.426 -16.850 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.520 -16.015 6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.969 -16.809 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.080 -15.033 6.491 1.00 0.00 H new ATOM 197 N GLY A 12 6.046 -14.103 10.089 1.00 0.00 N ATOM 198 CA GLY A 12 6.492 -12.895 10.780 1.00 0.00 C ATOM 199 C GLY A 12 6.566 -11.694 9.857 1.00 0.00 C ATOM 200 O GLY A 12 7.231 -10.707 10.185 1.00 0.00 O ATOM 0 H GLY A 12 5.109 -14.403 10.359 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.810 -12.677 11.601 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.473 -13.073 11.220 1.00 0.00 H new ATOM 204 N GLU A 13 5.827 -11.746 8.732 1.00 0.00 N ATOM 205 CA GLU A 13 6.005 -10.785 7.624 1.00 0.00 C ATOM 206 C GLU A 13 5.322 -9.454 7.949 1.00 0.00 C ATOM 207 O GLU A 13 4.116 -9.316 7.730 1.00 0.00 O ATOM 208 CB GLU A 13 5.449 -11.371 6.299 1.00 0.00 C ATOM 209 CG GLU A 13 6.250 -12.556 5.742 1.00 0.00 C ATOM 210 CD GLU A 13 5.619 -13.159 4.479 1.00 0.00 C ATOM 211 OE1 GLU A 13 4.686 -13.977 4.605 1.00 0.00 O ATOM 212 OE2 GLU A 13 6.033 -12.799 3.358 1.00 0.00 O ATOM 0 H GLU A 13 5.101 -12.443 8.566 1.00 0.00 H new ATOM 0 HA GLU A 13 7.072 -10.602 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.419 -11.689 6.461 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.424 -10.581 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.264 -12.228 5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.328 -13.328 6.508 1.00 0.00 H new ATOM 219 N TYR A 14 6.075 -8.539 8.576 1.00 0.00 N ATOM 220 CA TYR A 14 5.649 -7.135 8.775 1.00 0.00 C ATOM 221 C TYR A 14 5.164 -6.484 7.458 1.00 0.00 C ATOM 222 O TYR A 14 5.944 -6.116 6.567 1.00 0.00 O ATOM 223 CB TYR A 14 6.760 -6.309 9.450 1.00 0.00 C ATOM 224 CG TYR A 14 7.080 -6.819 10.860 1.00 0.00 C ATOM 225 CD1 TYR A 14 6.286 -6.443 11.949 1.00 0.00 C ATOM 226 CD2 TYR A 14 8.133 -7.701 11.097 1.00 0.00 C ATOM 227 CE1 TYR A 14 6.541 -6.923 13.217 1.00 0.00 C ATOM 228 CE2 TYR A 14 8.389 -8.177 12.365 1.00 0.00 C ATOM 229 CZ TYR A 14 7.590 -7.788 13.416 1.00 0.00 C ATOM 230 OH TYR A 14 7.851 -8.269 14.676 1.00 0.00 O ATOM 0 H TYR A 14 6.997 -8.745 8.961 1.00 0.00 H new ATOM 0 HA TYR A 14 4.792 -7.146 9.449 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.661 -6.346 8.838 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.453 -5.264 9.503 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.459 -5.765 11.794 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.758 -8.016 10.274 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.920 -6.621 14.048 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.214 -8.853 12.533 1.00 0.00 H new ATOM 0 HH TYR A 14 8.625 -8.869 14.643 1.00 0.00 H new ATOM 240 N ARG A 15 3.837 -6.389 7.415 1.00 0.00 N ATOM 241 CA ARG A 15 3.044 -5.878 6.311 1.00 0.00 C ATOM 242 C ARG A 15 2.015 -4.896 6.873 1.00 0.00 C ATOM 243 O ARG A 15 1.339 -5.205 7.854 1.00 0.00 O ATOM 244 CB ARG A 15 2.301 -7.040 5.602 1.00 0.00 C ATOM 245 CG ARG A 15 3.206 -8.095 4.928 1.00 0.00 C ATOM 246 CD ARG A 15 2.421 -9.374 4.618 1.00 0.00 C ATOM 247 NE ARG A 15 3.172 -10.349 3.794 1.00 0.00 N ATOM 248 CZ ARG A 15 2.619 -11.185 2.890 1.00 0.00 C ATOM 249 NH1 ARG A 15 1.323 -11.115 2.598 1.00 0.00 N ATOM 250 NH2 ARG A 15 3.369 -12.080 2.267 1.00 0.00 N ATOM 0 H ARG A 15 3.257 -6.686 8.199 1.00 0.00 H new ATOM 0 HA ARG A 15 3.696 -5.384 5.590 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.668 -7.543 6.333 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.640 -6.617 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.622 -7.687 4.007 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.047 -8.329 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.134 -9.850 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.500 -9.108 4.100 1.00 0.00 H new ATOM 0 HE ARG A 15 4.183 -10.392 3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.733 -10.423 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.919 -11.754 1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.367 -12.139 2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.949 -12.711 1.584 1.00 0.00 H new ATOM 264 N PHE A 16 1.870 -3.739 6.232 1.00 0.00 N ATOM 265 CA PHE A 16 0.813 -2.781 6.546 1.00 0.00 C ATOM 266 C PHE A 16 -0.155 -2.666 5.366 1.00 0.00 C ATOM 267 O PHE A 16 0.083 -3.205 4.272 1.00 0.00 O ATOM 268 CB PHE A 16 1.394 -1.395 6.950 1.00 0.00 C ATOM 269 CG PHE A 16 2.296 -0.708 5.917 1.00 0.00 C ATOM 270 CD1 PHE A 16 1.761 0.085 4.899 1.00 0.00 C ATOM 271 CD2 PHE A 16 3.682 -0.824 5.993 1.00 0.00 C ATOM 272 CE1 PHE A 16 2.583 0.726 3.991 1.00 0.00 C ATOM 273 CE2 PHE A 16 4.500 -0.177 5.087 1.00 0.00 C ATOM 274 CZ PHE A 16 3.950 0.600 4.087 1.00 0.00 C ATOM 0 H PHE A 16 2.485 -3.438 5.476 1.00 0.00 H new ATOM 0 HA PHE A 16 0.260 -3.150 7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.562 -0.728 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.962 -1.518 7.872 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.690 0.199 4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.124 -1.428 6.771 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.151 1.327 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.573 -0.279 5.161 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.591 1.108 3.382 1.00 0.00 H new ATOM 284 N ARG A 17 -1.270 -1.997 5.640 1.00 0.00 N ATOM 285 CA ARG A 17 -2.295 -1.662 4.654 1.00 0.00 C ATOM 286 C ARG A 17 -2.855 -0.273 4.932 1.00 0.00 C ATOM 287 O ARG A 17 -2.574 0.313 5.976 1.00 0.00 O ATOM 288 CB ARG A 17 -3.421 -2.731 4.676 1.00 0.00 C ATOM 289 CG ARG A 17 -4.059 -3.006 6.046 1.00 0.00 C ATOM 290 CD ARG A 17 -5.047 -4.182 6.000 1.00 0.00 C ATOM 291 NE ARG A 17 -5.477 -4.601 7.345 1.00 0.00 N ATOM 292 CZ ARG A 17 -5.636 -5.871 7.752 1.00 0.00 C ATOM 293 NH1 ARG A 17 -5.351 -6.885 6.940 1.00 0.00 N ATOM 294 NH2 ARG A 17 -6.076 -6.120 8.970 1.00 0.00 N ATOM 0 H ARG A 17 -1.493 -1.664 6.578 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.849 -1.655 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.206 -2.418 3.988 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.015 -3.667 4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.276 -3.220 6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.578 -2.111 6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.921 -3.898 5.413 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.582 -5.025 5.490 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.670 -3.865 8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.008 -6.702 5.997 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.476 -7.845 7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.295 -5.349 9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -6.198 -7.084 9.281 1.00 0.00 H new ATOM 308 N PHE A 18 -3.642 0.242 3.980 1.00 0.00 N ATOM 309 CA PHE A 18 -4.373 1.511 4.127 1.00 0.00 C ATOM 310 C PHE A 18 -5.840 1.245 3.814 1.00 0.00 C ATOM 311 O PHE A 18 -6.171 0.460 2.907 1.00 0.00 O ATOM 312 CB PHE A 18 -3.798 2.612 3.199 1.00 0.00 C ATOM 313 CG PHE A 18 -4.466 3.990 3.270 1.00 0.00 C ATOM 314 CD1 PHE A 18 -4.710 4.618 4.492 1.00 0.00 C ATOM 315 CD2 PHE A 18 -4.813 4.671 2.105 1.00 0.00 C ATOM 316 CE1 PHE A 18 -5.283 5.872 4.540 1.00 0.00 C ATOM 317 CE2 PHE A 18 -5.384 5.920 2.152 1.00 0.00 C ATOM 318 CZ PHE A 18 -5.618 6.522 3.367 1.00 0.00 C ATOM 0 H PHE A 18 -3.792 -0.212 3.079 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.265 1.880 5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.740 2.734 3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.860 2.257 2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.447 4.116 5.411 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.630 4.208 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.470 6.345 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.649 6.428 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.064 7.505 3.404 1.00 0.00 H new ATOM 328 N LYS A 19 -6.700 1.889 4.592 1.00 0.00 N ATOM 329 CA LYS A 19 -8.143 1.770 4.471 1.00 0.00 C ATOM 330 C LYS A 19 -8.701 2.917 3.611 1.00 0.00 C ATOM 331 O LYS A 19 -7.957 3.775 3.122 1.00 0.00 O ATOM 332 CB LYS A 19 -8.772 1.767 5.893 1.00 0.00 C ATOM 333 CG LYS A 19 -8.267 0.622 6.802 1.00 0.00 C ATOM 334 CD LYS A 19 -8.599 -0.783 6.241 1.00 0.00 C ATOM 335 CE LYS A 19 -10.102 -1.112 6.261 1.00 0.00 C ATOM 336 NZ LYS A 19 -10.375 -2.502 5.812 1.00 0.00 N ATOM 0 H LYS A 19 -6.407 2.520 5.338 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.399 0.834 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.559 2.721 6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.855 1.692 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.188 0.712 6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.712 0.727 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.234 -0.852 5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.063 -1.534 6.822 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.489 -0.975 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.635 -0.412 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.245 -2.518 5.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.579 -2.844 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.492 -3.118 6.642 1.00 0.00 H new ATOM 350 N ALA A 20 -10.022 2.915 3.452 1.00 0.00 N ATOM 351 CA ALA A 20 -10.762 3.941 2.708 1.00 0.00 C ATOM 352 C ALA A 20 -11.934 4.423 3.570 1.00 0.00 C ATOM 353 O ALA A 20 -12.307 3.748 4.530 1.00 0.00 O ATOM 354 CB ALA A 20 -11.231 3.386 1.353 1.00 0.00 C ATOM 0 H ALA A 20 -10.623 2.189 3.842 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.116 4.792 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.778 4.159 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.365 3.078 0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.882 2.528 1.517 1.00 0.00 H new ATOM 360 N SER A 21 -12.457 5.618 3.255 1.00 0.00 N ATOM 361 CA SER A 21 -13.574 6.260 3.993 1.00 0.00 C ATOM 362 C SER A 21 -14.863 5.391 4.111 1.00 0.00 C ATOM 363 O SER A 21 -15.652 5.578 5.046 1.00 0.00 O ATOM 364 CB SER A 21 -13.893 7.617 3.340 1.00 0.00 C ATOM 365 OG SER A 21 -12.741 8.437 3.288 1.00 0.00 O ATOM 0 H SER A 21 -12.118 6.178 2.473 1.00 0.00 H new ATOM 0 HA SER A 21 -13.232 6.391 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.277 7.459 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 21 -14.678 8.121 3.904 1.00 0.00 H new ATOM 0 HG SER A 21 -11.963 7.929 3.600 1.00 0.00 H new ATOM 371 N ASN A 22 -15.063 4.448 3.170 1.00 0.00 N ATOM 372 CA ASN A 22 -16.212 3.497 3.194 1.00 0.00 C ATOM 373 C ASN A 22 -15.946 2.309 4.155 1.00 0.00 C ATOM 374 O ASN A 22 -16.868 1.571 4.515 1.00 0.00 O ATOM 375 CB ASN A 22 -16.500 2.990 1.751 1.00 0.00 C ATOM 376 CG ASN A 22 -17.617 1.938 1.654 1.00 0.00 C ATOM 377 OD1 ASN A 22 -18.799 2.267 1.590 1.00 0.00 O ATOM 378 ND2 ASN A 22 -17.250 0.666 1.622 1.00 0.00 N ATOM 0 H ASN A 22 -14.441 4.317 2.372 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.089 4.024 3.569 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.767 3.843 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.584 2.567 1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.955 -0.066 1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.262 0.419 1.677 1.00 0.00 H new ATOM 385 N GLY A 23 -14.685 2.165 4.589 1.00 0.00 N ATOM 386 CA GLY A 23 -14.250 1.032 5.407 1.00 0.00 C ATOM 387 C GLY A 23 -13.925 -0.187 4.561 1.00 0.00 C ATOM 388 O GLY A 23 -14.617 -1.206 4.629 1.00 0.00 O ATOM 0 H GLY A 23 -13.942 2.832 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.371 1.318 5.984 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.033 0.779 6.122 1.00 0.00 H new ATOM 392 N GLU A 24 -12.887 -0.049 3.727 1.00 0.00 N ATOM 393 CA GLU A 24 -12.338 -1.147 2.907 1.00 0.00 C ATOM 394 C GLU A 24 -10.831 -0.929 2.722 1.00 0.00 C ATOM 395 O GLU A 24 -10.353 0.199 2.818 1.00 0.00 O ATOM 396 CB GLU A 24 -13.055 -1.210 1.532 1.00 0.00 C ATOM 397 CG GLU A 24 -12.988 0.095 0.711 1.00 0.00 C ATOM 398 CD GLU A 24 -13.868 0.056 -0.540 1.00 0.00 C ATOM 399 OE1 GLU A 24 -15.076 0.356 -0.432 1.00 0.00 O ATOM 400 OE2 GLU A 24 -13.365 -0.284 -1.632 1.00 0.00 O ATOM 0 H GLU A 24 -12.396 0.836 3.598 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.505 -2.097 3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.615 -2.016 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.101 -1.468 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.296 0.930 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.955 0.281 0.417 1.00 0.00 H new ATOM 407 N THR A 25 -10.091 -2.016 2.505 1.00 0.00 N ATOM 408 CA THR A 25 -8.652 -1.965 2.222 1.00 0.00 C ATOM 409 C THR A 25 -8.425 -1.852 0.702 1.00 0.00 C ATOM 410 O THR A 25 -9.081 -2.530 -0.101 1.00 0.00 O ATOM 411 CB THR A 25 -7.936 -3.221 2.815 1.00 0.00 C ATOM 412 OG1 THR A 25 -8.101 -3.242 4.240 1.00 0.00 O ATOM 413 CG2 THR A 25 -6.435 -3.290 2.476 1.00 0.00 C ATOM 0 H THR A 25 -10.472 -2.962 2.520 1.00 0.00 H new ATOM 0 HA THR A 25 -8.220 -1.085 2.698 1.00 0.00 H new ATOM 0 HB THR A 25 -8.405 -4.091 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.948 -4.151 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.003 -4.187 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.307 -3.323 1.394 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.931 -2.409 2.874 1.00 0.00 H new ATOM 421 N MET A 26 -7.497 -0.964 0.344 1.00 0.00 N ATOM 422 CA MET A 26 -7.191 -0.605 -1.055 1.00 0.00 C ATOM 423 C MET A 26 -5.755 -1.001 -1.457 1.00 0.00 C ATOM 424 O MET A 26 -5.486 -1.210 -2.644 1.00 0.00 O ATOM 425 CB MET A 26 -7.506 0.899 -1.282 1.00 0.00 C ATOM 426 CG MET A 26 -7.042 1.839 -0.159 1.00 0.00 C ATOM 427 SD MET A 26 -5.263 1.817 0.107 1.00 0.00 S ATOM 428 CE MET A 26 -4.698 2.400 -1.480 1.00 0.00 C ATOM 0 H MET A 26 -6.924 -0.462 1.023 1.00 0.00 H new ATOM 0 HA MET A 26 -7.832 -1.182 -1.721 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.040 1.215 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.582 1.014 -1.409 1.00 0.00 H new ATOM 0 HG2 MET A 26 -7.353 2.856 -0.396 1.00 0.00 H new ATOM 0 HG3 MET A 26 -7.543 1.560 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 26 -3.654 2.119 -1.620 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.304 1.953 -2.268 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.790 3.485 -1.523 1.00 0.00 H new ATOM 438 N PHE A 27 -4.836 -1.094 -0.480 1.00 0.00 N ATOM 439 CA PHE A 27 -3.511 -1.717 -0.695 1.00 0.00 C ATOM 440 C PHE A 27 -3.045 -2.389 0.598 1.00 0.00 C ATOM 441 O PHE A 27 -3.515 -2.048 1.683 1.00 0.00 O ATOM 442 CB PHE A 27 -2.428 -0.701 -1.236 1.00 0.00 C ATOM 443 CG PHE A 27 -1.580 0.048 -0.192 1.00 0.00 C ATOM 444 CD1 PHE A 27 -0.391 -0.497 0.312 1.00 0.00 C ATOM 445 CD2 PHE A 27 -1.976 1.280 0.280 1.00 0.00 C ATOM 446 CE1 PHE A 27 0.347 0.195 1.259 1.00 0.00 C ATOM 447 CE2 PHE A 27 -1.248 1.972 1.206 1.00 0.00 C ATOM 448 CZ PHE A 27 -0.084 1.436 1.706 1.00 0.00 C ATOM 0 H PHE A 27 -4.983 -0.747 0.468 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.625 -2.469 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.750 -1.248 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.938 0.040 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.049 -1.459 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.892 1.713 -0.094 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.259 -0.232 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.586 2.940 1.545 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.491 1.978 2.442 1.00 0.00 H new ATOM 458 N SER A 28 -2.089 -3.305 0.433 1.00 0.00 N ATOM 459 CA SER A 28 -1.440 -4.040 1.527 1.00 0.00 C ATOM 460 C SER A 28 -0.180 -4.742 1.015 1.00 0.00 C ATOM 461 O SER A 28 0.219 -4.552 -0.131 1.00 0.00 O ATOM 462 CB SER A 28 -2.420 -5.086 2.128 1.00 0.00 C ATOM 463 OG SER A 28 -2.883 -5.988 1.139 1.00 0.00 O ATOM 0 H SER A 28 -1.734 -3.565 -0.487 1.00 0.00 H new ATOM 0 HA SER A 28 -1.160 -3.330 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.921 -5.640 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.269 -4.574 2.581 1.00 0.00 H new ATOM 0 HG SER A 28 -3.496 -6.635 1.547 1.00 0.00 H new ATOM 469 N SER A 29 0.485 -5.469 1.922 1.00 0.00 N ATOM 470 CA SER A 29 1.354 -6.629 1.584 1.00 0.00 C ATOM 471 C SER A 29 2.560 -6.244 0.716 1.00 0.00 C ATOM 472 O SER A 29 2.999 -6.996 -0.164 1.00 0.00 O ATOM 473 CB SER A 29 0.512 -7.761 0.939 1.00 0.00 C ATOM 474 OG SER A 29 -0.573 -8.116 1.780 1.00 0.00 O ATOM 0 H SER A 29 0.442 -5.276 2.923 1.00 0.00 H new ATOM 0 HA SER A 29 1.776 -7.001 2.518 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.136 -7.435 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.141 -8.633 0.760 1.00 0.00 H new ATOM 0 HG SER A 29 -1.318 -7.497 1.632 1.00 0.00 H new ATOM 480 N GLU A 30 3.064 -5.046 0.990 1.00 0.00 N ATOM 481 CA GLU A 30 4.369 -4.583 0.521 1.00 0.00 C ATOM 482 C GLU A 30 5.492 -5.519 1.005 1.00 0.00 C ATOM 483 O GLU A 30 6.400 -5.833 0.223 1.00 0.00 O ATOM 484 CB GLU A 30 4.649 -3.084 0.926 1.00 0.00 C ATOM 485 CG GLU A 30 3.913 -2.525 2.172 1.00 0.00 C ATOM 486 CD GLU A 30 4.015 -3.410 3.410 1.00 0.00 C ATOM 487 OE1 GLU A 30 5.062 -3.401 4.099 1.00 0.00 O ATOM 488 OE2 GLU A 30 3.060 -4.162 3.665 1.00 0.00 O ATOM 0 H GLU A 30 2.570 -4.355 1.555 1.00 0.00 H new ATOM 0 HA GLU A 30 4.352 -4.614 -0.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.721 -2.976 1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.394 -2.453 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.319 -1.541 2.408 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.861 -2.385 1.925 1.00 0.00 H new ATOM 495 N GLY A 31 5.419 -5.963 2.287 1.00 0.00 N ATOM 496 CA GLY A 31 6.428 -6.843 2.858 1.00 0.00 C ATOM 497 C GLY A 31 7.781 -6.157 2.902 1.00 0.00 C ATOM 498 O GLY A 31 8.771 -6.703 2.399 1.00 0.00 O ATOM 0 H GLY A 31 4.666 -5.717 2.930 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.132 -7.138 3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.497 -7.756 2.266 1.00 0.00 H new ATOM 502 N TYR A 32 7.820 -4.950 3.505 1.00 0.00 N ATOM 503 CA TYR A 32 8.928 -4.007 3.299 1.00 0.00 C ATOM 504 C TYR A 32 10.210 -4.478 4.025 1.00 0.00 C ATOM 505 O TYR A 32 11.247 -4.671 3.375 1.00 0.00 O ATOM 506 CB TYR A 32 8.513 -2.568 3.725 1.00 0.00 C ATOM 507 CG TYR A 32 9.561 -1.495 3.389 1.00 0.00 C ATOM 508 CD1 TYR A 32 10.117 -1.419 2.109 1.00 0.00 C ATOM 509 CD2 TYR A 32 10.008 -0.584 4.344 1.00 0.00 C ATOM 510 CE1 TYR A 32 11.074 -0.476 1.801 1.00 0.00 C ATOM 511 CE2 TYR A 32 10.968 0.359 4.037 1.00 0.00 C ATOM 512 CZ TYR A 32 11.495 0.405 2.766 1.00 0.00 C ATOM 513 OH TYR A 32 12.464 1.330 2.460 1.00 0.00 O ATOM 0 H TYR A 32 7.095 -4.610 4.137 1.00 0.00 H new ATOM 0 HA TYR A 32 9.159 -3.980 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.574 -2.311 3.235 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.326 -2.557 4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.791 -2.112 1.347 1.00 0.00 H new ATOM 0 HD2 TYR A 32 9.596 -0.616 5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.491 -0.430 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 32 11.304 1.057 4.790 1.00 0.00 H new ATOM 0 HH TYR A 32 12.651 1.881 3.249 1.00 0.00 H new ATOM 523 N LYS A 33 10.123 -4.682 5.356 1.00 0.00 N ATOM 524 CA LYS A 33 11.275 -5.135 6.173 1.00 0.00 C ATOM 525 C LYS A 33 10.818 -5.558 7.588 1.00 0.00 C ATOM 526 O LYS A 33 10.713 -6.749 7.881 1.00 0.00 O ATOM 527 CB LYS A 33 12.366 -4.020 6.240 1.00 0.00 C ATOM 528 CG LYS A 33 13.642 -4.359 7.045 1.00 0.00 C ATOM 529 CD LYS A 33 14.432 -5.553 6.469 1.00 0.00 C ATOM 530 CE LYS A 33 15.708 -5.857 7.275 1.00 0.00 C ATOM 531 NZ LYS A 33 16.466 -7.005 6.716 1.00 0.00 N ATOM 0 H LYS A 33 9.266 -4.541 5.891 1.00 0.00 H new ATOM 0 HA LYS A 33 11.714 -6.011 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.661 -3.768 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.916 -3.126 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.290 -3.483 7.070 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.364 -4.580 8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 13.793 -6.436 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.701 -5.342 5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.347 -4.974 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.440 -6.071 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.316 -7.172 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.867 -7.855 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.746 -6.792 5.737 1.00 0.00 H new ATOM 545 N ALA A 34 10.518 -4.568 8.443 1.00 0.00 N ATOM 546 CA ALA A 34 10.158 -4.784 9.864 1.00 0.00 C ATOM 547 C ALA A 34 9.214 -3.660 10.312 1.00 0.00 C ATOM 548 O ALA A 34 8.872 -2.815 9.483 1.00 0.00 O ATOM 549 CB ALA A 34 11.421 -4.852 10.736 1.00 0.00 C ATOM 0 H ALA A 34 10.517 -3.585 8.171 1.00 0.00 H new ATOM 0 HA ALA A 34 9.643 -5.738 9.978 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.137 -5.011 11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.050 -5.677 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.973 -3.916 10.650 1.00 0.00 H new ATOM 555 N LYS A 35 8.785 -3.630 11.601 1.00 0.00 N ATOM 556 CA LYS A 35 7.804 -2.627 12.083 1.00 0.00 C ATOM 557 C LYS A 35 8.361 -1.191 11.969 1.00 0.00 C ATOM 558 O LYS A 35 7.668 -0.304 11.500 1.00 0.00 O ATOM 559 CB LYS A 35 7.404 -2.921 13.556 1.00 0.00 C ATOM 560 CG LYS A 35 6.393 -1.914 14.167 1.00 0.00 C ATOM 561 CD LYS A 35 6.421 -1.887 15.711 1.00 0.00 C ATOM 562 CE LYS A 35 6.047 -3.231 16.338 1.00 0.00 C ATOM 563 NZ LYS A 35 4.635 -3.579 16.077 1.00 0.00 N ATOM 0 H LYS A 35 9.101 -4.283 12.318 1.00 0.00 H new ATOM 0 HA LYS A 35 6.921 -2.702 11.449 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.976 -3.922 13.609 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.305 -2.927 14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.611 -0.915 13.788 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.388 -2.170 13.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.418 -1.601 16.046 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.732 -1.121 16.068 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.694 -4.012 15.939 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.220 -3.192 17.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.430 -4.519 16.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.015 -2.873 16.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.464 -3.591 15.051 1.00 0.00 H new ATOM 577 N ALA A 36 9.613 -0.986 12.409 1.00 0.00 N ATOM 578 CA ALA A 36 10.308 0.320 12.322 1.00 0.00 C ATOM 579 C ALA A 36 10.308 0.849 10.876 1.00 0.00 C ATOM 580 O ALA A 36 9.965 2.008 10.626 1.00 0.00 O ATOM 581 CB ALA A 36 11.741 0.209 12.875 1.00 0.00 C ATOM 0 H ALA A 36 10.178 -1.720 12.837 1.00 0.00 H new ATOM 0 HA ALA A 36 9.764 1.038 12.936 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.235 1.178 12.803 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.705 -0.103 13.919 1.00 0.00 H new ATOM 0 HB3 ALA A 36 12.299 -0.527 12.296 1.00 0.00 H new ATOM 587 N SER A 37 10.617 -0.052 9.929 1.00 0.00 N ATOM 588 CA SER A 37 10.628 0.261 8.491 1.00 0.00 C ATOM 589 C SER A 37 9.198 0.427 7.941 1.00 0.00 C ATOM 590 O SER A 37 9.001 1.114 6.940 1.00 0.00 O ATOM 591 CB SER A 37 11.352 -0.857 7.720 1.00 0.00 C ATOM 592 OG SER A 37 12.598 -1.173 8.315 1.00 0.00 O ATOM 0 H SER A 37 10.866 -1.018 10.139 1.00 0.00 H new ATOM 0 HA SER A 37 11.156 1.205 8.356 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.724 -1.748 7.693 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.509 -0.546 6.687 1.00 0.00 H new ATOM 0 HG SER A 37 13.166 -1.632 7.661 1.00 0.00 H new ATOM 598 N ALA A 38 8.217 -0.224 8.601 1.00 0.00 N ATOM 599 CA ALA A 38 6.801 -0.150 8.218 1.00 0.00 C ATOM 600 C ALA A 38 6.262 1.266 8.483 1.00 0.00 C ATOM 601 O ALA A 38 5.736 1.899 7.574 1.00 0.00 O ATOM 602 CB ALA A 38 5.968 -1.218 8.953 1.00 0.00 C ATOM 0 H ALA A 38 8.390 -0.815 9.414 1.00 0.00 H new ATOM 0 HA ALA A 38 6.715 -0.358 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.924 -1.138 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.344 -2.210 8.702 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.045 -1.063 10.029 1.00 0.00 H new ATOM 608 N ILE A 39 6.420 1.753 9.740 1.00 0.00 N ATOM 609 CA ILE A 39 6.099 3.148 10.128 1.00 0.00 C ATOM 610 C ILE A 39 6.827 4.153 9.209 1.00 0.00 C ATOM 611 O ILE A 39 6.193 5.062 8.689 1.00 0.00 O ATOM 612 CB ILE A 39 6.446 3.452 11.660 1.00 0.00 C ATOM 613 CG1 ILE A 39 5.400 2.809 12.639 1.00 0.00 C ATOM 614 CG2 ILE A 39 6.561 4.974 11.961 1.00 0.00 C ATOM 615 CD1 ILE A 39 5.395 1.299 12.711 1.00 0.00 C ATOM 0 H ILE A 39 6.774 1.188 10.512 1.00 0.00 H new ATOM 0 HA ILE A 39 5.022 3.267 10.008 1.00 0.00 H new ATOM 0 HB ILE A 39 7.421 2.995 11.829 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.583 3.199 13.640 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.405 3.141 12.344 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.798 5.120 13.015 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.352 5.407 11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.614 5.463 11.731 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.633 0.971 13.418 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.176 0.888 11.725 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.372 0.947 13.042 1.00 0.00 H new ATOM 627 N HIS A 40 8.147 3.947 9.005 1.00 0.00 N ATOM 628 CA HIS A 40 8.994 4.840 8.172 1.00 0.00 C ATOM 629 C HIS A 40 8.480 4.928 6.722 1.00 0.00 C ATOM 630 O HIS A 40 8.447 6.023 6.126 1.00 0.00 O ATOM 631 CB HIS A 40 10.480 4.381 8.197 1.00 0.00 C ATOM 632 CG HIS A 40 11.292 4.956 9.328 1.00 0.00 C ATOM 633 ND1 HIS A 40 12.315 5.855 9.131 1.00 0.00 N ATOM 634 CD2 HIS A 40 11.230 4.755 10.660 1.00 0.00 C ATOM 635 CE1 HIS A 40 12.846 6.177 10.291 1.00 0.00 C ATOM 636 NE2 HIS A 40 12.202 5.527 11.233 1.00 0.00 N ATOM 0 H HIS A 40 8.657 3.162 9.410 1.00 0.00 H new ATOM 0 HA HIS A 40 8.932 5.838 8.606 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.510 3.293 8.261 1.00 0.00 H new ATOM 0 HB3 HIS A 40 10.949 4.658 7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.540 4.105 11.178 1.00 0.00 H new ATOM 0 HE1 HIS A 40 13.670 6.859 10.442 1.00 0.00 H new ATOM 0 HE2 HIS A 40 12.396 5.588 12.233 1.00 0.00 H new ATOM 645 N ALA A 41 8.076 3.778 6.163 1.00 0.00 N ATOM 646 CA ALA A 41 7.464 3.718 4.836 1.00 0.00 C ATOM 647 C ALA A 41 6.190 4.569 4.830 1.00 0.00 C ATOM 648 O ALA A 41 6.068 5.490 4.039 1.00 0.00 O ATOM 649 CB ALA A 41 7.179 2.258 4.439 1.00 0.00 C ATOM 0 H ALA A 41 8.165 2.870 6.619 1.00 0.00 H new ATOM 0 HA ALA A 41 8.152 4.123 4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.724 2.232 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.113 1.696 4.424 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.498 1.810 5.163 1.00 0.00 H new ATOM 655 N ILE A 42 5.300 4.302 5.787 1.00 0.00 N ATOM 656 CA ILE A 42 4.052 5.065 5.972 1.00 0.00 C ATOM 657 C ILE A 42 4.329 6.575 6.169 1.00 0.00 C ATOM 658 O ILE A 42 3.519 7.406 5.772 1.00 0.00 O ATOM 659 CB ILE A 42 3.236 4.492 7.177 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.839 3.016 6.894 1.00 0.00 C ATOM 661 CG2 ILE A 42 1.986 5.349 7.488 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.313 2.277 8.095 1.00 0.00 C ATOM 0 H ILE A 42 5.420 3.547 6.462 1.00 0.00 H new ATOM 0 HA ILE A 42 3.459 4.957 5.064 1.00 0.00 H new ATOM 0 HB ILE A 42 3.873 4.526 8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.081 2.999 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.709 2.485 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.448 4.916 8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.294 6.365 7.737 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.334 5.372 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.060 1.255 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.075 2.259 8.874 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.422 2.781 8.471 1.00 0.00 H new ATOM 674 N GLU A 43 5.509 6.917 6.723 1.00 0.00 N ATOM 675 CA GLU A 43 5.909 8.321 6.944 1.00 0.00 C ATOM 676 C GLU A 43 6.071 9.057 5.608 1.00 0.00 C ATOM 677 O GLU A 43 5.772 10.248 5.545 1.00 0.00 O ATOM 678 CB GLU A 43 7.195 8.433 7.809 1.00 0.00 C ATOM 679 CG GLU A 43 7.003 8.128 9.306 1.00 0.00 C ATOM 680 CD GLU A 43 6.235 9.234 10.049 1.00 0.00 C ATOM 681 OE1 GLU A 43 4.985 9.218 10.052 1.00 0.00 O ATOM 682 OE2 GLU A 43 6.881 10.147 10.618 1.00 0.00 O ATOM 0 H GLU A 43 6.205 6.236 7.027 1.00 0.00 H new ATOM 0 HA GLU A 43 5.108 8.803 7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.945 7.751 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.596 9.442 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.467 7.185 9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.979 7.994 9.772 1.00 0.00 H new ATOM 689 N SER A 44 6.505 8.329 4.541 1.00 0.00 N ATOM 690 CA SER A 44 6.481 8.862 3.146 1.00 0.00 C ATOM 691 C SER A 44 5.090 9.361 2.768 1.00 0.00 C ATOM 692 O SER A 44 4.951 10.400 2.102 1.00 0.00 O ATOM 693 CB SER A 44 6.894 7.781 2.119 1.00 0.00 C ATOM 694 OG SER A 44 8.295 7.614 2.074 1.00 0.00 O ATOM 0 H SER A 44 6.872 7.381 4.617 1.00 0.00 H new ATOM 0 HA SER A 44 7.193 9.687 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.422 6.833 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.528 8.059 1.131 1.00 0.00 H new ATOM 0 HG SER A 44 8.548 6.827 2.600 1.00 0.00 H new ATOM 700 N ILE A 45 4.068 8.597 3.191 1.00 0.00 N ATOM 701 CA ILE A 45 2.691 8.888 2.831 1.00 0.00 C ATOM 702 C ILE A 45 2.242 10.154 3.580 1.00 0.00 C ATOM 703 O ILE A 45 1.671 11.076 2.991 1.00 0.00 O ATOM 704 CB ILE A 45 1.674 7.712 3.143 1.00 0.00 C ATOM 705 CG1 ILE A 45 2.293 6.288 2.943 1.00 0.00 C ATOM 706 CG2 ILE A 45 0.455 7.869 2.228 1.00 0.00 C ATOM 707 CD1 ILE A 45 2.508 5.866 1.507 1.00 0.00 C ATOM 0 H ILE A 45 4.182 7.774 3.783 1.00 0.00 H new ATOM 0 HA ILE A 45 2.674 9.026 1.750 1.00 0.00 H new ATOM 0 HB ILE A 45 1.399 7.787 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.251 6.252 3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.643 5.558 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.256 7.068 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.020 8.832 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.773 7.819 1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.940 4.866 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.553 5.861 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.186 6.566 1.020 1.00 0.00 H new ATOM 719 N LYS A 46 2.551 10.183 4.894 1.00 0.00 N ATOM 720 CA LYS A 46 2.160 11.275 5.822 1.00 0.00 C ATOM 721 C LYS A 46 2.723 12.641 5.422 1.00 0.00 C ATOM 722 O LYS A 46 2.198 13.681 5.831 1.00 0.00 O ATOM 723 CB LYS A 46 2.593 10.943 7.288 1.00 0.00 C ATOM 724 CG LYS A 46 2.315 9.490 7.754 1.00 0.00 C ATOM 725 CD LYS A 46 0.900 8.987 7.381 1.00 0.00 C ATOM 726 CE LYS A 46 -0.215 9.788 8.048 1.00 0.00 C ATOM 727 NZ LYS A 46 -0.363 9.438 9.477 1.00 0.00 N ATOM 0 H LYS A 46 3.085 9.442 5.349 1.00 0.00 H new ATOM 0 HA LYS A 46 1.074 11.341 5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.661 11.139 7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.080 11.627 7.964 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.057 8.826 7.312 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.440 9.433 8.835 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.777 9.036 6.299 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.807 7.939 7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.003 10.853 7.955 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.156 9.603 7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.343 9.615 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.135 8.433 9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.284 10.020 10.046 1.00 0.00 H new ATOM 741 N ARG A 47 3.794 12.604 4.630 1.00 0.00 N ATOM 742 CA ARG A 47 4.484 13.816 4.152 1.00 0.00 C ATOM 743 C ARG A 47 3.543 14.705 3.308 1.00 0.00 C ATOM 744 O ARG A 47 3.108 15.759 3.783 1.00 0.00 O ATOM 745 CB ARG A 47 5.794 13.470 3.377 1.00 0.00 C ATOM 746 CG ARG A 47 6.887 12.809 4.242 1.00 0.00 C ATOM 747 CD ARG A 47 7.206 13.604 5.530 1.00 0.00 C ATOM 748 NE ARG A 47 7.986 12.809 6.497 1.00 0.00 N ATOM 749 CZ ARG A 47 7.535 12.362 7.687 1.00 0.00 C ATOM 750 NH1 ARG A 47 6.285 12.600 8.074 1.00 0.00 N ATOM 751 NH2 ARG A 47 8.337 11.663 8.478 1.00 0.00 N ATOM 0 H ARG A 47 4.213 11.735 4.298 1.00 0.00 H new ATOM 0 HA ARG A 47 4.775 14.390 5.032 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.548 12.803 2.551 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.196 14.384 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.568 11.803 4.513 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.797 12.706 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.762 14.505 5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.275 13.927 5.995 1.00 0.00 H new ATOM 0 HE ARG A 47 8.947 12.578 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.655 13.126 7.468 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.956 12.256 8.976 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.294 11.464 8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.997 11.324 9.378 1.00 0.00 H new ATOM 765 N ASN A 48 3.210 14.265 2.086 1.00 0.00 N ATOM 766 CA ASN A 48 2.416 15.061 1.124 1.00 0.00 C ATOM 767 C ASN A 48 1.846 14.128 0.019 1.00 0.00 C ATOM 768 O ASN A 48 1.558 14.570 -1.086 1.00 0.00 O ATOM 769 CB ASN A 48 3.293 16.212 0.519 1.00 0.00 C ATOM 770 CG ASN A 48 2.520 17.239 -0.323 1.00 0.00 C ATOM 771 OD1 ASN A 48 1.373 17.578 -0.026 1.00 0.00 O ATOM 772 ND2 ASN A 48 3.133 17.728 -1.389 1.00 0.00 N ATOM 0 H ASN A 48 3.481 13.348 1.732 1.00 0.00 H new ATOM 0 HA ASN A 48 1.576 15.527 1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.793 16.735 1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.072 15.768 -0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.656 18.402 -1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.083 17.431 -1.612 1.00 0.00 H new ATOM 779 N SER A 49 1.727 12.815 0.317 1.00 0.00 N ATOM 780 CA SER A 49 1.326 11.793 -0.684 1.00 0.00 C ATOM 781 C SER A 49 -0.087 12.033 -1.257 1.00 0.00 C ATOM 782 O SER A 49 -0.386 11.623 -2.385 1.00 0.00 O ATOM 783 CB SER A 49 1.393 10.399 -0.071 1.00 0.00 C ATOM 784 OG SER A 49 1.140 9.386 -1.025 1.00 0.00 O ATOM 0 H SER A 49 1.903 12.434 1.246 1.00 0.00 H new ATOM 0 HA SER A 49 2.032 11.876 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.378 10.244 0.369 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.667 10.324 0.738 1.00 0.00 H new ATOM 0 HG SER A 49 1.983 9.113 -1.443 1.00 0.00 H new ATOM 790 N ALA A 50 -0.960 12.674 -0.460 1.00 0.00 N ATOM 791 CA ALA A 50 -2.267 13.150 -0.940 1.00 0.00 C ATOM 792 C ALA A 50 -2.109 14.197 -2.071 1.00 0.00 C ATOM 793 O ALA A 50 -2.937 14.268 -2.982 1.00 0.00 O ATOM 794 CB ALA A 50 -3.091 13.700 0.237 1.00 0.00 C ATOM 0 H ALA A 50 -0.781 12.874 0.524 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.807 12.306 -1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.057 14.050 -0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.245 12.911 0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.556 14.529 0.700 1.00 0.00 H new ATOM 800 N GLY A 51 -1.018 14.982 -1.995 1.00 0.00 N ATOM 801 CA GLY A 51 -0.660 15.957 -3.030 1.00 0.00 C ATOM 802 C GLY A 51 0.411 15.453 -4.005 1.00 0.00 C ATOM 803 O GLY A 51 0.844 16.210 -4.880 1.00 0.00 O ATOM 0 H GLY A 51 -0.364 14.955 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.555 16.222 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.303 16.868 -2.551 1.00 0.00 H new ATOM 807 N ALA A 52 0.861 14.179 -3.849 1.00 0.00 N ATOM 808 CA ALA A 52 1.806 13.518 -4.788 1.00 0.00 C ATOM 809 C ALA A 52 1.200 13.360 -6.196 1.00 0.00 C ATOM 810 O ALA A 52 0.047 13.729 -6.437 1.00 0.00 O ATOM 811 CB ALA A 52 2.241 12.143 -4.238 1.00 0.00 C ATOM 0 H ALA A 52 0.579 13.583 -3.070 1.00 0.00 H new ATOM 0 HA ALA A 52 2.682 14.161 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.932 11.673 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.734 12.276 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.364 11.507 -4.112 1.00 0.00 H new ATOM 817 N ASP A 53 1.985 12.805 -7.128 1.00 0.00 N ATOM 818 CA ASP A 53 1.533 12.554 -8.516 1.00 0.00 C ATOM 819 C ASP A 53 1.311 11.041 -8.726 1.00 0.00 C ATOM 820 O ASP A 53 1.850 10.225 -7.979 1.00 0.00 O ATOM 821 CB ASP A 53 2.578 13.122 -9.513 1.00 0.00 C ATOM 822 CG ASP A 53 2.102 13.124 -10.974 1.00 0.00 C ATOM 823 OD1 ASP A 53 1.369 14.055 -11.367 1.00 0.00 O ATOM 824 OD2 ASP A 53 2.440 12.194 -11.728 1.00 0.00 O ATOM 0 H ASP A 53 2.947 12.516 -6.950 1.00 0.00 H new ATOM 0 HA ASP A 53 0.584 13.060 -8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.829 14.142 -9.221 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.493 12.535 -9.439 1.00 0.00 H new ATOM 829 N THR A 54 0.485 10.679 -9.718 1.00 0.00 N ATOM 830 CA THR A 54 0.203 9.273 -10.068 1.00 0.00 C ATOM 831 C THR A 54 0.633 8.997 -11.532 1.00 0.00 C ATOM 832 O THR A 54 0.038 9.522 -12.478 1.00 0.00 O ATOM 833 CB THR A 54 -1.313 8.959 -9.837 1.00 0.00 C ATOM 834 OG1 THR A 54 -1.682 9.352 -8.503 1.00 0.00 O ATOM 835 CG2 THR A 54 -1.650 7.469 -10.018 1.00 0.00 C ATOM 0 H THR A 54 -0.009 11.352 -10.304 1.00 0.00 H new ATOM 0 HA THR A 54 0.780 8.611 -9.423 1.00 0.00 H new ATOM 0 HB THR A 54 -1.871 9.520 -10.587 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.007 9.032 -7.869 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.715 7.313 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.398 7.160 -11.032 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.076 6.877 -9.305 1.00 0.00 H new ATOM 843 N VAL A 55 1.699 8.191 -11.681 1.00 0.00 N ATOM 844 CA VAL A 55 2.324 7.839 -12.978 1.00 0.00 C ATOM 845 C VAL A 55 2.055 6.359 -13.311 1.00 0.00 C ATOM 846 O VAL A 55 2.281 5.489 -12.468 1.00 0.00 O ATOM 847 CB VAL A 55 3.884 8.074 -12.931 1.00 0.00 C ATOM 848 CG1 VAL A 55 4.581 7.677 -14.256 1.00 0.00 C ATOM 849 CG2 VAL A 55 4.209 9.532 -12.546 1.00 0.00 C ATOM 0 H VAL A 55 2.165 7.753 -10.886 1.00 0.00 H new ATOM 0 HA VAL A 55 1.887 8.479 -13.745 1.00 0.00 H new ATOM 0 HB VAL A 55 4.283 7.417 -12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.653 7.858 -14.172 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.406 6.620 -14.457 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.176 8.273 -15.073 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.290 9.669 -12.520 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.775 10.208 -13.282 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.792 9.750 -11.563 1.00 0.00 H new ATOM 859 N ASP A 56 1.587 6.081 -14.545 1.00 0.00 N ATOM 860 CA ASP A 56 1.352 4.702 -15.020 1.00 0.00 C ATOM 861 C ASP A 56 2.424 4.299 -16.065 1.00 0.00 C ATOM 862 O ASP A 56 2.474 4.850 -17.167 1.00 0.00 O ATOM 863 CB ASP A 56 -0.074 4.568 -15.606 1.00 0.00 C ATOM 864 CG ASP A 56 -0.470 3.102 -15.844 1.00 0.00 C ATOM 865 OD1 ASP A 56 0.050 2.491 -16.792 1.00 0.00 O ATOM 866 OD2 ASP A 56 -1.303 2.556 -15.089 1.00 0.00 O ATOM 0 H ASP A 56 1.363 6.799 -15.235 1.00 0.00 H new ATOM 0 HA ASP A 56 1.434 4.022 -14.172 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.789 5.030 -14.925 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.131 5.115 -16.547 1.00 0.00 H new ATOM 871 N LEU A 57 3.270 3.338 -15.678 1.00 0.00 N ATOM 872 CA LEU A 57 4.344 2.762 -16.519 1.00 0.00 C ATOM 873 C LEU A 57 3.837 1.615 -17.420 1.00 0.00 C ATOM 874 O LEU A 57 4.439 1.345 -18.469 1.00 0.00 O ATOM 875 CB LEU A 57 5.516 2.238 -15.623 1.00 0.00 C ATOM 876 CG LEU A 57 6.338 3.314 -14.830 1.00 0.00 C ATOM 877 CD1 LEU A 57 6.920 4.385 -15.774 1.00 0.00 C ATOM 878 CD2 LEU A 57 5.512 3.960 -13.702 1.00 0.00 C ATOM 0 H LEU A 57 3.232 2.923 -14.747 1.00 0.00 H new ATOM 0 HA LEU A 57 4.699 3.563 -17.167 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.104 1.529 -14.905 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.207 1.683 -16.258 1.00 0.00 H new ATOM 0 HG LEU A 57 7.171 2.791 -14.360 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.483 5.115 -15.193 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.581 3.910 -16.499 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.108 4.888 -16.298 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.122 4.698 -13.181 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.635 4.449 -14.127 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.193 3.191 -12.998 1.00 0.00 H new ATOM 890 N THR A 58 2.706 0.978 -17.045 1.00 0.00 N ATOM 891 CA THR A 58 2.214 -0.245 -17.721 1.00 0.00 C ATOM 892 C THR A 58 1.214 0.078 -18.858 1.00 0.00 C ATOM 893 O THR A 58 0.592 -0.821 -19.433 1.00 0.00 O ATOM 894 CB THR A 58 1.595 -1.246 -16.687 1.00 0.00 C ATOM 895 OG1 THR A 58 1.224 -2.470 -17.316 1.00 0.00 O ATOM 896 CG2 THR A 58 0.392 -0.680 -15.917 1.00 0.00 C ATOM 0 H THR A 58 2.114 1.291 -16.275 1.00 0.00 H new ATOM 0 HA THR A 58 3.075 -0.725 -18.185 1.00 0.00 H new ATOM 0 HB THR A 58 2.384 -1.427 -15.957 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.853 -2.669 -18.040 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.019 -1.431 -15.221 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.699 0.207 -15.363 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.397 -0.413 -16.620 1.00 0.00 H new ATOM 904 N THR A 59 1.076 1.372 -19.193 1.00 0.00 N ATOM 905 CA THR A 59 0.334 1.817 -20.387 1.00 0.00 C ATOM 906 C THR A 59 1.200 1.632 -21.646 1.00 0.00 C ATOM 907 O THR A 59 0.667 1.538 -22.758 1.00 0.00 O ATOM 908 CB THR A 59 -0.144 3.313 -20.250 1.00 0.00 C ATOM 909 OG1 THR A 59 0.835 4.076 -19.524 1.00 0.00 O ATOM 910 CG2 THR A 59 -1.507 3.431 -19.547 1.00 0.00 C ATOM 0 H THR A 59 1.473 2.137 -18.647 1.00 0.00 H new ATOM 0 HA THR A 59 -0.560 1.200 -20.479 1.00 0.00 H new ATOM 0 HB THR A 59 -0.257 3.707 -21.260 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.532 5.005 -19.444 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.791 4.481 -19.478 1.00 0.00 H new ATOM 0 HG22 THR A 59 -2.260 2.889 -20.119 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.438 3.007 -18.545 1.00 0.00 H new ATOM 918 N MET A 60 2.538 1.595 -21.454 1.00 0.00 N ATOM 919 CA MET A 60 3.492 1.278 -22.529 1.00 0.00 C ATOM 920 C MET A 60 3.446 -0.230 -22.849 1.00 0.00 C ATOM 921 O MET A 60 3.378 -0.625 -24.018 1.00 0.00 O ATOM 922 CB MET A 60 4.939 1.701 -22.138 1.00 0.00 C ATOM 923 CG MET A 60 5.997 1.395 -23.214 1.00 0.00 C ATOM 924 SD MET A 60 7.669 1.853 -22.715 1.00 0.00 S ATOM 925 CE MET A 60 8.613 1.339 -24.154 1.00 0.00 C ATOM 0 H MET A 60 2.980 1.783 -20.554 1.00 0.00 H new ATOM 0 HA MET A 60 3.204 1.841 -23.417 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.949 2.771 -21.928 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.218 1.192 -21.215 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.973 0.330 -23.446 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.739 1.927 -24.130 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.669 1.559 -23.994 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.485 0.268 -24.310 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.259 1.878 -25.033 1.00 0.00 H new ATOM 935 N THR A 61 3.481 -1.060 -21.790 1.00 0.00 N ATOM 936 CA THR A 61 3.428 -2.528 -21.913 1.00 0.00 C ATOM 937 C THR A 61 1.981 -3.001 -22.156 1.00 0.00 C ATOM 938 O THR A 61 1.024 -2.295 -21.823 1.00 0.00 O ATOM 939 CB THR A 61 4.028 -3.222 -20.641 1.00 0.00 C ATOM 940 OG1 THR A 61 3.361 -2.749 -19.455 1.00 0.00 O ATOM 941 CG2 THR A 61 5.542 -2.959 -20.514 1.00 0.00 C ATOM 0 H THR A 61 3.547 -0.732 -20.826 1.00 0.00 H new ATOM 0 HA THR A 61 4.034 -2.815 -22.772 1.00 0.00 H new ATOM 0 HB THR A 61 3.873 -4.295 -20.749 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.742 -3.190 -18.667 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.924 -3.455 -19.622 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.054 -3.350 -21.393 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.720 -1.886 -20.437 1.00 0.00 H new ATOM 949 N ALA A 62 1.840 -4.187 -22.765 1.00 0.00 N ATOM 950 CA ALA A 62 0.540 -4.794 -23.076 1.00 0.00 C ATOM 951 C ALA A 62 0.694 -6.332 -23.038 1.00 0.00 C ATOM 952 O ALA A 62 1.104 -6.928 -24.054 1.00 0.00 O ATOM 953 CB ALA A 62 0.023 -4.278 -24.439 1.00 0.00 C ATOM 954 OXT ALA A 62 0.465 -6.928 -21.969 1.00 0.00 O ATOM 0 H ALA A 62 2.634 -4.757 -23.058 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.207 -4.510 -22.335 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.942 -4.735 -24.659 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.090 -3.195 -24.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.735 -4.540 -25.221 1.00 0.00 H new TER 960 ALA A 62 ATOM 961 N MET B 1 10.028 15.500 -6.081 1.00 0.00 N ATOM 962 CA MET B 1 9.507 15.029 -4.777 1.00 0.00 C ATOM 963 C MET B 1 9.351 13.493 -4.817 1.00 0.00 C ATOM 964 O MET B 1 10.306 12.772 -4.540 1.00 0.00 O ATOM 965 CB MET B 1 8.167 15.757 -4.438 1.00 0.00 C ATOM 966 CG MET B 1 7.626 15.507 -3.024 1.00 0.00 C ATOM 967 SD MET B 1 5.962 16.172 -2.769 1.00 0.00 S ATOM 968 CE MET B 1 6.191 17.902 -3.168 1.00 0.00 C ATOM 0 H1 MET B 1 10.135 16.534 -6.059 1.00 0.00 H new ATOM 0 H2 MET B 1 10.952 15.060 -6.265 1.00 0.00 H new ATOM 0 H3 MET B 1 9.363 15.237 -6.836 1.00 0.00 H new ATOM 0 HA MET B 1 10.209 15.273 -3.980 1.00 0.00 H new ATOM 0 HB2 MET B 1 8.311 16.829 -4.570 1.00 0.00 H new ATOM 0 HB3 MET B 1 7.411 15.446 -5.159 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.615 14.434 -2.831 1.00 0.00 H new ATOM 0 HG3 MET B 1 8.304 15.955 -2.298 1.00 0.00 H new ATOM 0 HE1 MET B 1 5.610 18.514 -2.478 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.247 18.159 -3.080 1.00 0.00 H new ATOM 0 HE3 MET B 1 5.856 18.087 -4.189 1.00 0.00 H new ATOM 978 N TYR B 2 8.164 13.007 -5.232 1.00 0.00 N ATOM 979 CA TYR B 2 7.835 11.570 -5.320 1.00 0.00 C ATOM 980 C TYR B 2 6.507 11.376 -6.076 1.00 0.00 C ATOM 981 O TYR B 2 5.787 12.351 -6.342 1.00 0.00 O ATOM 982 CB TYR B 2 7.788 10.885 -3.918 1.00 0.00 C ATOM 983 CG TYR B 2 7.072 11.653 -2.784 1.00 0.00 C ATOM 984 CD1 TYR B 2 5.809 12.236 -2.961 1.00 0.00 C ATOM 985 CD2 TYR B 2 7.663 11.773 -1.526 1.00 0.00 C ATOM 986 CE1 TYR B 2 5.183 12.903 -1.932 1.00 0.00 C ATOM 987 CE2 TYR B 2 7.036 12.440 -0.505 1.00 0.00 C ATOM 988 CZ TYR B 2 5.803 12.998 -0.713 1.00 0.00 C ATOM 989 OH TYR B 2 5.190 13.660 0.300 1.00 0.00 O ATOM 0 H TYR B 2 7.395 13.612 -5.520 1.00 0.00 H new ATOM 0 HA TYR B 2 8.635 11.082 -5.878 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.301 9.916 -4.031 1.00 0.00 H new ATOM 0 HB3 TYR B 2 8.813 10.692 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR B 2 5.319 12.161 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR B 2 8.633 11.332 -1.353 1.00 0.00 H new ATOM 0 HE1 TYR B 2 4.211 13.348 -2.084 1.00 0.00 H new ATOM 0 HE2 TYR B 2 7.513 12.525 0.460 1.00 0.00 H new ATOM 0 HH TYR B 2 5.814 14.304 0.695 1.00 0.00 H new ATOM 999 N LYS B 3 6.184 10.106 -6.384 1.00 0.00 N ATOM 1000 CA LYS B 3 4.969 9.738 -7.133 1.00 0.00 C ATOM 1001 C LYS B 3 4.699 8.228 -7.048 1.00 0.00 C ATOM 1002 O LYS B 3 5.495 7.468 -6.476 1.00 0.00 O ATOM 1003 CB LYS B 3 5.030 10.248 -8.626 1.00 0.00 C ATOM 1004 CG LYS B 3 6.361 10.038 -9.397 1.00 0.00 C ATOM 1005 CD LYS B 3 6.665 8.565 -9.748 1.00 0.00 C ATOM 1006 CE LYS B 3 7.824 8.428 -10.744 1.00 0.00 C ATOM 1007 NZ LYS B 3 9.101 8.938 -10.206 1.00 0.00 N ATOM 0 H LYS B 3 6.759 9.306 -6.120 1.00 0.00 H new ATOM 0 HA LYS B 3 4.124 10.242 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.235 9.753 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS B 3 4.804 11.314 -8.628 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.330 10.620 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS B 3 7.181 10.433 -8.798 1.00 0.00 H new ATOM 0 HD2 LYS B 3 6.907 8.020 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.772 8.103 -10.168 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.942 7.379 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS B 3 7.578 8.968 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 9.849 8.821 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 9.001 9.946 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 9.354 8.406 -9.349 1.00 0.00 H new ATOM 1021 N PHE B 4 3.565 7.818 -7.635 1.00 0.00 N ATOM 1022 CA PHE B 4 3.122 6.422 -7.671 1.00 0.00 C ATOM 1023 C PHE B 4 3.475 5.815 -9.028 1.00 0.00 C ATOM 1024 O PHE B 4 2.998 6.281 -10.055 1.00 0.00 O ATOM 1025 CB PHE B 4 1.596 6.333 -7.417 1.00 0.00 C ATOM 1026 CG PHE B 4 1.183 6.773 -6.012 1.00 0.00 C ATOM 1027 CD1 PHE B 4 0.928 8.117 -5.720 1.00 0.00 C ATOM 1028 CD2 PHE B 4 1.055 5.839 -4.983 1.00 0.00 C ATOM 1029 CE1 PHE B 4 0.558 8.505 -4.451 1.00 0.00 C ATOM 1030 CE2 PHE B 4 0.684 6.231 -3.716 1.00 0.00 C ATOM 1031 CZ PHE B 4 0.436 7.564 -3.452 1.00 0.00 C ATOM 0 H PHE B 4 2.923 8.458 -8.104 1.00 0.00 H new ATOM 0 HA PHE B 4 3.629 5.862 -6.885 1.00 0.00 H new ATOM 0 HB2 PHE B 4 1.077 6.952 -8.150 1.00 0.00 H new ATOM 0 HB3 PHE B 4 1.269 5.306 -7.578 1.00 0.00 H new ATOM 0 HD1 PHE B 4 1.022 8.859 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE B 4 1.249 4.796 -5.183 1.00 0.00 H new ATOM 0 HE1 PHE B 4 0.364 9.546 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE B 4 0.587 5.497 -2.930 1.00 0.00 H new ATOM 0 HZ PHE B 4 0.145 7.870 -2.458 1.00 0.00 H new ATOM 1041 N GLU B 5 4.328 4.797 -9.017 1.00 0.00 N ATOM 1042 CA GLU B 5 4.740 4.084 -10.228 1.00 0.00 C ATOM 1043 C GLU B 5 3.874 2.833 -10.397 1.00 0.00 C ATOM 1044 O GLU B 5 4.027 1.870 -9.643 1.00 0.00 O ATOM 1045 CB GLU B 5 6.260 3.740 -10.161 1.00 0.00 C ATOM 1046 CG GLU B 5 7.169 4.942 -10.457 1.00 0.00 C ATOM 1047 CD GLU B 5 8.676 4.663 -10.329 1.00 0.00 C ATOM 1048 OE1 GLU B 5 9.155 3.652 -10.873 1.00 0.00 O ATOM 1049 OE2 GLU B 5 9.390 5.468 -9.703 1.00 0.00 O ATOM 0 H GLU B 5 4.758 4.438 -8.164 1.00 0.00 H new ATOM 0 HA GLU B 5 4.593 4.718 -11.102 1.00 0.00 H new ATOM 0 HB2 GLU B 5 6.494 3.352 -9.170 1.00 0.00 H new ATOM 0 HB3 GLU B 5 6.477 2.945 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU B 5 6.964 5.293 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU B 5 6.906 5.753 -9.778 1.00 0.00 H new ATOM 1056 N ILE B 6 2.955 2.858 -11.392 1.00 0.00 N ATOM 1057 CA ILE B 6 1.999 1.761 -11.636 1.00 0.00 C ATOM 1058 C ILE B 6 2.517 0.896 -12.776 1.00 0.00 C ATOM 1059 O ILE B 6 2.718 1.379 -13.884 1.00 0.00 O ATOM 1060 CB ILE B 6 0.577 2.280 -12.042 1.00 0.00 C ATOM 1061 CG1 ILE B 6 0.095 3.387 -11.064 1.00 0.00 C ATOM 1062 CG2 ILE B 6 -0.440 1.095 -12.114 1.00 0.00 C ATOM 1063 CD1 ILE B 6 -1.125 4.144 -11.544 1.00 0.00 C ATOM 0 H ILE B 6 2.859 3.637 -12.043 1.00 0.00 H new ATOM 0 HA ILE B 6 1.910 1.202 -10.705 1.00 0.00 H new ATOM 0 HB ILE B 6 0.640 2.724 -13.035 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -0.129 2.933 -10.099 1.00 0.00 H new ATOM 0 HG13 ILE B 6 0.909 4.094 -10.903 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -1.422 1.475 -12.397 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -0.103 0.371 -12.856 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -0.505 0.612 -11.139 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.399 4.898 -10.806 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -0.901 4.629 -12.494 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.955 3.450 -11.678 1.00 0.00 H new ATOM 1075 N TYR B 7 2.684 -0.376 -12.515 1.00 0.00 N ATOM 1076 CA TYR B 7 3.192 -1.326 -13.499 1.00 0.00 C ATOM 1077 C TYR B 7 2.406 -2.644 -13.411 1.00 0.00 C ATOM 1078 O TYR B 7 1.440 -2.756 -12.654 1.00 0.00 O ATOM 1079 CB TYR B 7 4.716 -1.523 -13.295 1.00 0.00 C ATOM 1080 CG TYR B 7 5.089 -1.952 -11.866 1.00 0.00 C ATOM 1081 CD1 TYR B 7 5.111 -3.298 -11.491 1.00 0.00 C ATOM 1082 CD2 TYR B 7 5.379 -0.996 -10.882 1.00 0.00 C ATOM 1083 CE1 TYR B 7 5.412 -3.668 -10.195 1.00 0.00 C ATOM 1084 CE2 TYR B 7 5.674 -1.366 -9.592 1.00 0.00 C ATOM 1085 CZ TYR B 7 5.693 -2.697 -9.249 1.00 0.00 C ATOM 1086 OH TYR B 7 5.990 -3.065 -7.955 1.00 0.00 O ATOM 0 H TYR B 7 2.472 -0.795 -11.609 1.00 0.00 H new ATOM 0 HA TYR B 7 3.048 -0.937 -14.507 1.00 0.00 H new ATOM 0 HB2 TYR B 7 5.075 -2.275 -13.998 1.00 0.00 H new ATOM 0 HB3 TYR B 7 5.231 -0.592 -13.533 1.00 0.00 H new ATOM 0 HD1 TYR B 7 4.890 -4.059 -12.225 1.00 0.00 H new ATOM 0 HD2 TYR B 7 5.370 0.052 -11.143 1.00 0.00 H new ATOM 0 HE1 TYR B 7 5.428 -4.712 -9.920 1.00 0.00 H new ATOM 0 HE2 TYR B 7 5.890 -0.613 -8.849 1.00 0.00 H new ATOM 0 HH TYR B 7 6.389 -2.305 -7.482 1.00 0.00 H new ATOM 1096 N GLN B 8 2.784 -3.607 -14.250 1.00 0.00 N ATOM 1097 CA GLN B 8 2.337 -5.008 -14.118 1.00 0.00 C ATOM 1098 C GLN B 8 3.568 -5.923 -14.098 1.00 0.00 C ATOM 1099 O GLN B 8 4.613 -5.572 -14.652 1.00 0.00 O ATOM 1100 CB GLN B 8 1.338 -5.396 -15.245 1.00 0.00 C ATOM 1101 CG GLN B 8 1.951 -5.705 -16.624 1.00 0.00 C ATOM 1102 CD GLN B 8 0.897 -5.763 -17.750 1.00 0.00 C ATOM 1103 OE1 GLN B 8 0.658 -4.791 -18.462 1.00 0.00 O ATOM 1104 NE2 GLN B 8 0.224 -6.893 -17.887 1.00 0.00 N ATOM 0 H GLN B 8 3.407 -3.447 -15.041 1.00 0.00 H new ATOM 0 HA GLN B 8 1.795 -5.128 -13.180 1.00 0.00 H new ATOM 0 HB2 GLN B 8 0.775 -6.270 -14.917 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.623 -4.582 -15.363 1.00 0.00 H new ATOM 0 HG2 GLN B 8 2.692 -4.943 -16.866 1.00 0.00 H new ATOM 0 HG3 GLN B 8 2.478 -6.658 -16.577 1.00 0.00 H new ATOM 0 HE21 GLN B 8 0.437 -7.689 -17.286 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -0.508 -6.968 -18.593 1.00 0.00 H new ATOM 1113 N ASP B 9 3.446 -7.081 -13.440 1.00 0.00 N ATOM 1114 CA ASP B 9 4.560 -8.035 -13.288 1.00 0.00 C ATOM 1115 C ASP B 9 4.408 -9.183 -14.314 1.00 0.00 C ATOM 1116 O ASP B 9 3.447 -9.166 -15.079 1.00 0.00 O ATOM 1117 CB ASP B 9 4.581 -8.550 -11.813 1.00 0.00 C ATOM 1118 CG ASP B 9 5.980 -8.887 -11.271 1.00 0.00 C ATOM 1119 OD1 ASP B 9 6.971 -8.879 -12.036 1.00 0.00 O ATOM 1120 OD2 ASP B 9 6.092 -9.170 -10.067 1.00 0.00 O ATOM 0 H ASP B 9 2.579 -7.386 -12.998 1.00 0.00 H new ATOM 0 HA ASP B 9 5.516 -7.552 -13.490 1.00 0.00 H new ATOM 0 HB2 ASP B 9 4.130 -7.793 -11.171 1.00 0.00 H new ATOM 0 HB3 ASP B 9 3.955 -9.440 -11.744 1.00 0.00 H new ATOM 1125 N LYS B 10 5.353 -10.167 -14.302 1.00 0.00 N ATOM 1126 CA LYS B 10 5.438 -11.304 -15.278 1.00 0.00 C ATOM 1127 C LYS B 10 4.085 -12.032 -15.498 1.00 0.00 C ATOM 1128 O LYS B 10 3.745 -12.421 -16.617 1.00 0.00 O ATOM 1129 CB LYS B 10 6.545 -12.337 -14.857 1.00 0.00 C ATOM 1130 CG LYS B 10 6.210 -13.255 -13.635 1.00 0.00 C ATOM 1131 CD LYS B 10 6.296 -12.550 -12.260 1.00 0.00 C ATOM 1132 CE LYS B 10 7.741 -12.205 -11.859 1.00 0.00 C ATOM 1133 NZ LYS B 10 7.818 -11.573 -10.514 1.00 0.00 N ATOM 0 H LYS B 10 6.094 -10.196 -13.601 1.00 0.00 H new ATOM 0 HA LYS B 10 5.713 -10.851 -16.231 1.00 0.00 H new ATOM 0 HB2 LYS B 10 6.761 -12.975 -15.714 1.00 0.00 H new ATOM 0 HB3 LYS B 10 7.458 -11.786 -14.631 1.00 0.00 H new ATOM 0 HG2 LYS B 10 5.204 -13.655 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS B 10 6.893 -14.105 -13.637 1.00 0.00 H new ATOM 0 HD2 LYS B 10 5.703 -11.636 -12.287 1.00 0.00 H new ATOM 0 HD3 LYS B 10 5.856 -13.193 -11.498 1.00 0.00 H new ATOM 0 HE2 LYS B 10 8.344 -13.113 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS B 10 8.170 -11.531 -12.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 8.610 -10.900 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 6.930 -11.069 -10.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 7.967 -12.308 -9.793 1.00 0.00 H new ATOM 1147 N ALA B 11 3.310 -12.148 -14.409 1.00 0.00 N ATOM 1148 CA ALA B 11 2.006 -12.855 -14.404 1.00 0.00 C ATOM 1149 C ALA B 11 0.856 -11.890 -14.768 1.00 0.00 C ATOM 1150 O ALA B 11 -0.323 -12.189 -14.554 1.00 0.00 O ATOM 1151 CB ALA B 11 1.789 -13.495 -13.030 1.00 0.00 C ATOM 0 H ALA B 11 3.564 -11.756 -13.502 1.00 0.00 H new ATOM 0 HA ALA B 11 2.014 -13.640 -15.160 1.00 0.00 H new ATOM 0 HB1 ALA B 11 0.832 -14.017 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA B 11 2.592 -14.204 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA B 11 1.789 -12.720 -12.264 1.00 0.00 H new ATOM 1157 N GLY B 12 1.233 -10.744 -15.365 1.00 0.00 N ATOM 1158 CA GLY B 12 0.325 -9.647 -15.666 1.00 0.00 C ATOM 1159 C GLY B 12 -0.159 -8.928 -14.417 1.00 0.00 C ATOM 1160 O GLY B 12 -1.178 -8.237 -14.462 1.00 0.00 O ATOM 0 H GLY B 12 2.195 -10.562 -15.652 1.00 0.00 H new ATOM 0 HA2 GLY B 12 0.827 -8.934 -16.320 1.00 0.00 H new ATOM 0 HA3 GLY B 12 -0.534 -10.032 -16.215 1.00 0.00 H new ATOM 1164 N GLU B 13 0.610 -9.043 -13.318 1.00 0.00 N ATOM 1165 CA GLU B 13 0.138 -8.644 -11.975 1.00 0.00 C ATOM 1166 C GLU B 13 0.216 -7.132 -11.805 1.00 0.00 C ATOM 1167 O GLU B 13 1.289 -6.605 -11.487 1.00 0.00 O ATOM 1168 CB GLU B 13 0.976 -9.323 -10.872 1.00 0.00 C ATOM 1169 CG GLU B 13 0.894 -10.838 -10.857 1.00 0.00 C ATOM 1170 CD GLU B 13 1.812 -11.463 -9.803 1.00 0.00 C ATOM 1171 OE1 GLU B 13 1.377 -11.595 -8.640 1.00 0.00 O ATOM 1172 OE2 GLU B 13 2.980 -11.781 -10.128 1.00 0.00 O ATOM 0 H GLU B 13 1.562 -9.409 -13.332 1.00 0.00 H new ATOM 0 HA GLU B 13 -0.900 -8.965 -11.882 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.019 -9.030 -10.994 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.651 -8.945 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -0.135 -11.141 -10.664 1.00 0.00 H new ATOM 0 HG3 GLU B 13 1.161 -11.223 -11.841 1.00 0.00 H new ATOM 1179 N TYR B 14 -0.897 -6.445 -12.103 1.00 0.00 N ATOM 1180 CA TYR B 14 -1.034 -5.004 -11.848 1.00 0.00 C ATOM 1181 C TYR B 14 -0.746 -4.647 -10.374 1.00 0.00 C ATOM 1182 O TYR B 14 -1.546 -4.894 -9.461 1.00 0.00 O ATOM 1183 CB TYR B 14 -2.408 -4.483 -12.323 1.00 0.00 C ATOM 1184 CG TYR B 14 -2.547 -4.572 -13.849 1.00 0.00 C ATOM 1185 CD1 TYR B 14 -2.024 -3.569 -14.675 1.00 0.00 C ATOM 1186 CD2 TYR B 14 -3.144 -5.673 -14.465 1.00 0.00 C ATOM 1187 CE1 TYR B 14 -2.103 -3.661 -16.050 1.00 0.00 C ATOM 1188 CE2 TYR B 14 -3.217 -5.770 -15.837 1.00 0.00 C ATOM 1189 CZ TYR B 14 -2.698 -4.764 -16.625 1.00 0.00 C ATOM 1190 OH TYR B 14 -2.779 -4.864 -17.991 1.00 0.00 O ATOM 0 H TYR B 14 -1.723 -6.870 -12.525 1.00 0.00 H new ATOM 0 HA TYR B 14 -0.274 -4.491 -12.438 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -3.201 -5.062 -11.850 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -2.536 -3.448 -12.005 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -1.550 -2.708 -14.228 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -3.556 -6.463 -13.855 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -1.701 -2.874 -16.671 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -3.680 -6.632 -16.295 1.00 0.00 H new ATOM 0 HH TYR B 14 -3.226 -5.702 -18.232 1.00 0.00 H new ATOM 1200 N ARG B 15 0.445 -4.064 -10.221 1.00 0.00 N ATOM 1201 CA ARG B 15 1.047 -3.670 -8.961 1.00 0.00 C ATOM 1202 C ARG B 15 1.578 -2.246 -9.110 1.00 0.00 C ATOM 1203 O ARG B 15 2.260 -1.939 -10.087 1.00 0.00 O ATOM 1204 CB ARG B 15 2.220 -4.623 -8.612 1.00 0.00 C ATOM 1205 CG ARG B 15 1.822 -6.093 -8.334 1.00 0.00 C ATOM 1206 CD ARG B 15 3.030 -7.031 -8.452 1.00 0.00 C ATOM 1207 NE ARG B 15 2.766 -8.391 -7.951 1.00 0.00 N ATOM 1208 CZ ARG B 15 3.685 -9.186 -7.373 1.00 0.00 C ATOM 1209 NH1 ARG B 15 4.937 -8.775 -7.215 1.00 0.00 N ATOM 1210 NH2 ARG B 15 3.355 -10.395 -6.961 1.00 0.00 N ATOM 0 H ARG B 15 1.041 -3.846 -11.020 1.00 0.00 H new ATOM 0 HA ARG B 15 0.306 -3.720 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG B 15 2.935 -4.607 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG B 15 2.735 -4.232 -7.734 1.00 0.00 H new ATOM 0 HG2 ARG B 15 1.393 -6.173 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG B 15 1.049 -6.402 -9.038 1.00 0.00 H new ATOM 0 HD2 ARG B 15 3.334 -7.090 -9.497 1.00 0.00 H new ATOM 0 HD3 ARG B 15 3.867 -6.604 -7.900 1.00 0.00 H new ATOM 0 HE ARG B 15 1.819 -8.756 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG B 15 5.213 -7.846 -7.533 1.00 0.00 H new ATOM 0 HH12 ARG B 15 5.623 -9.388 -6.775 1.00 0.00 H new ATOM 0 HH21 ARG B 15 2.399 -10.731 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG B 15 4.055 -10.994 -6.524 1.00 0.00 H new ATOM 1224 N PHE B 16 1.304 -1.395 -8.125 1.00 0.00 N ATOM 1225 CA PHE B 16 1.888 -0.059 -8.041 1.00 0.00 C ATOM 1226 C PHE B 16 2.804 0.036 -6.824 1.00 0.00 C ATOM 1227 O PHE B 16 2.859 -0.873 -5.975 1.00 0.00 O ATOM 1228 CB PHE B 16 0.788 1.043 -8.020 1.00 0.00 C ATOM 1229 CG PHE B 16 -0.247 0.953 -6.890 1.00 0.00 C ATOM 1230 CD1 PHE B 16 -0.004 1.521 -5.638 1.00 0.00 C ATOM 1231 CD2 PHE B 16 -1.481 0.335 -7.098 1.00 0.00 C ATOM 1232 CE1 PHE B 16 -0.956 1.465 -4.634 1.00 0.00 C ATOM 1233 CE2 PHE B 16 -2.431 0.290 -6.095 1.00 0.00 C ATOM 1234 CZ PHE B 16 -2.168 0.853 -4.863 1.00 0.00 C ATOM 0 H PHE B 16 0.667 -1.614 -7.359 1.00 0.00 H new ATOM 0 HA PHE B 16 2.488 0.113 -8.935 1.00 0.00 H new ATOM 0 HB2 PHE B 16 1.279 2.014 -7.957 1.00 0.00 H new ATOM 0 HB3 PHE B 16 0.258 1.015 -8.972 1.00 0.00 H new ATOM 0 HD1 PHE B 16 0.940 2.011 -5.450 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -1.697 -0.114 -8.056 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -0.747 1.902 -3.669 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -3.383 -0.188 -6.276 1.00 0.00 H new ATOM 0 HZ PHE B 16 -2.911 0.814 -4.080 1.00 0.00 H new ATOM 1244 N ARG B 17 3.557 1.130 -6.796 1.00 0.00 N ATOM 1245 CA ARG B 17 4.429 1.499 -5.683 1.00 0.00 C ATOM 1246 C ARG B 17 4.382 3.008 -5.458 1.00 0.00 C ATOM 1247 O ARG B 17 3.832 3.742 -6.276 1.00 0.00 O ATOM 1248 CB ARG B 17 5.881 1.036 -5.971 1.00 0.00 C ATOM 1249 CG ARG B 17 6.497 1.575 -7.274 1.00 0.00 C ATOM 1250 CD ARG B 17 7.950 1.114 -7.477 1.00 0.00 C ATOM 1251 NE ARG B 17 8.435 1.367 -8.847 1.00 0.00 N ATOM 1252 CZ ARG B 17 8.916 0.433 -9.677 1.00 0.00 C ATOM 1253 NH1 ARG B 17 9.001 -0.840 -9.304 1.00 0.00 N ATOM 1254 NH2 ARG B 17 9.316 0.775 -10.892 1.00 0.00 N ATOM 0 H ARG B 17 3.580 1.801 -7.563 1.00 0.00 H new ATOM 0 HA ARG B 17 4.080 1.004 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG B 17 6.514 1.339 -5.137 1.00 0.00 H new ATOM 0 HB3 ARG B 17 5.898 -0.053 -6.004 1.00 0.00 H new ATOM 0 HG2 ARG B 17 5.894 1.246 -8.120 1.00 0.00 H new ATOM 0 HG3 ARG B 17 6.464 2.664 -7.264 1.00 0.00 H new ATOM 0 HD2 ARG B 17 8.595 1.630 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG B 17 8.024 0.048 -7.260 1.00 0.00 H new ATOM 0 HE ARG B 17 8.401 2.328 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG B 17 8.697 -1.120 -8.371 1.00 0.00 H new ATOM 0 HH12 ARG B 17 9.370 -1.537 -9.950 1.00 0.00 H new ATOM 0 HH21 ARG B 17 9.257 1.748 -11.193 1.00 0.00 H new ATOM 0 HH22 ARG B 17 9.683 0.066 -11.527 1.00 0.00 H new ATOM 1268 N PHE B 18 4.966 3.450 -4.341 1.00 0.00 N ATOM 1269 CA PHE B 18 5.140 4.876 -4.024 1.00 0.00 C ATOM 1270 C PHE B 18 6.613 5.115 -3.708 1.00 0.00 C ATOM 1271 O PHE B 18 7.283 4.275 -3.080 1.00 0.00 O ATOM 1272 CB PHE B 18 4.246 5.299 -2.833 1.00 0.00 C ATOM 1273 CG PHE B 18 4.300 6.768 -2.420 1.00 0.00 C ATOM 1274 CD1 PHE B 18 4.172 7.789 -3.359 1.00 0.00 C ATOM 1275 CD2 PHE B 18 4.436 7.117 -1.081 1.00 0.00 C ATOM 1276 CE1 PHE B 18 4.191 9.106 -2.965 1.00 0.00 C ATOM 1277 CE2 PHE B 18 4.450 8.431 -0.689 1.00 0.00 C ATOM 1278 CZ PHE B 18 4.330 9.422 -1.627 1.00 0.00 C ATOM 0 H PHE B 18 5.335 2.826 -3.624 1.00 0.00 H new ATOM 0 HA PHE B 18 4.837 5.481 -4.878 1.00 0.00 H new ATOM 0 HB2 PHE B 18 3.213 5.053 -3.079 1.00 0.00 H new ATOM 0 HB3 PHE B 18 4.521 4.693 -1.970 1.00 0.00 H new ATOM 0 HD1 PHE B 18 4.057 7.544 -4.405 1.00 0.00 H new ATOM 0 HD2 PHE B 18 4.532 6.340 -0.337 1.00 0.00 H new ATOM 0 HE1 PHE B 18 4.097 9.892 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE B 18 4.555 8.684 0.356 1.00 0.00 H new ATOM 0 HZ PHE B 18 4.344 10.457 -1.319 1.00 0.00 H new ATOM 1288 N LYS B 19 7.104 6.252 -4.180 1.00 0.00 N ATOM 1289 CA LYS B 19 8.487 6.672 -4.006 1.00 0.00 C ATOM 1290 C LYS B 19 8.612 7.603 -2.790 1.00 0.00 C ATOM 1291 O LYS B 19 7.624 7.903 -2.106 1.00 0.00 O ATOM 1292 CB LYS B 19 8.946 7.365 -5.315 1.00 0.00 C ATOM 1293 CG LYS B 19 8.849 6.429 -6.547 1.00 0.00 C ATOM 1294 CD LYS B 19 9.808 5.211 -6.423 1.00 0.00 C ATOM 1295 CE LYS B 19 11.286 5.617 -6.581 1.00 0.00 C ATOM 1296 NZ LYS B 19 11.680 5.731 -8.008 1.00 0.00 N ATOM 0 H LYS B 19 6.541 6.921 -4.705 1.00 0.00 H new ATOM 0 HA LYS B 19 9.130 5.814 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS B 19 8.335 8.251 -5.487 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.975 7.705 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS B 19 7.824 6.075 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.089 6.990 -7.450 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.665 4.735 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.553 4.471 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.456 6.570 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.920 4.880 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.366 4.984 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 10.838 5.627 -8.610 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.112 6.662 -8.176 1.00 0.00 H new ATOM 1310 N ALA B 20 9.836 8.057 -2.546 1.00 0.00 N ATOM 1311 CA ALA B 20 10.161 8.994 -1.464 1.00 0.00 C ATOM 1312 C ALA B 20 11.003 10.137 -2.041 1.00 0.00 C ATOM 1313 O ALA B 20 11.546 10.003 -3.140 1.00 0.00 O ATOM 1314 CB ALA B 20 10.879 8.264 -0.315 1.00 0.00 C ATOM 0 H ALA B 20 10.647 7.783 -3.100 1.00 0.00 H new ATOM 0 HA ALA B 20 9.248 9.415 -1.042 1.00 0.00 H new ATOM 0 HB1 ALA B 20 11.112 8.974 0.478 1.00 0.00 H new ATOM 0 HB2 ALA B 20 10.232 7.480 0.079 1.00 0.00 H new ATOM 0 HB3 ALA B 20 11.802 7.820 -0.687 1.00 0.00 H new ATOM 1320 N SER B 21 11.041 11.275 -1.328 1.00 0.00 N ATOM 1321 CA SER B 21 11.771 12.498 -1.745 1.00 0.00 C ATOM 1322 C SER B 21 13.285 12.285 -2.042 1.00 0.00 C ATOM 1323 O SER B 21 13.877 13.050 -2.812 1.00 0.00 O ATOM 1324 CB SER B 21 11.563 13.603 -0.688 1.00 0.00 C ATOM 1325 OG SER B 21 10.181 13.813 -0.438 1.00 0.00 O ATOM 0 H SER B 21 10.562 11.379 -0.434 1.00 0.00 H new ATOM 0 HA SER B 21 11.345 12.800 -2.702 1.00 0.00 H new ATOM 0 HB2 SER B 21 12.066 13.325 0.238 1.00 0.00 H new ATOM 0 HB3 SER B 21 12.019 14.531 -1.032 1.00 0.00 H new ATOM 0 HG SER B 21 9.653 13.182 -0.970 1.00 0.00 H new ATOM 1331 N ASN B 22 13.895 11.247 -1.445 1.00 0.00 N ATOM 1332 CA ASN B 22 15.318 10.888 -1.696 1.00 0.00 C ATOM 1333 C ASN B 22 15.480 10.050 -2.995 1.00 0.00 C ATOM 1334 O ASN B 22 16.595 9.864 -3.487 1.00 0.00 O ATOM 1335 CB ASN B 22 15.909 10.126 -0.481 1.00 0.00 C ATOM 1336 CG ASN B 22 15.255 8.780 -0.226 1.00 0.00 C ATOM 1337 OD1 ASN B 22 14.060 8.604 -0.439 1.00 0.00 O ATOM 1338 ND2 ASN B 22 16.035 7.828 0.219 1.00 0.00 N ATOM 0 H ASN B 22 13.428 10.632 -0.779 1.00 0.00 H new ATOM 0 HA ASN B 22 15.872 11.817 -1.833 1.00 0.00 H new ATOM 0 HB2 ASN B 22 16.977 9.976 -0.642 1.00 0.00 H new ATOM 0 HB3 ASN B 22 15.805 10.745 0.410 1.00 0.00 H new ATOM 0 HD21 ASN B 22 15.654 6.900 0.401 1.00 0.00 H new ATOM 0 HD22 ASN B 22 17.024 8.014 0.384 1.00 0.00 H new ATOM 1345 N GLY B 23 14.346 9.583 -3.539 1.00 0.00 N ATOM 1346 CA GLY B 23 14.316 8.684 -4.696 1.00 0.00 C ATOM 1347 C GLY B 23 14.555 7.243 -4.299 1.00 0.00 C ATOM 1348 O GLY B 23 15.582 6.652 -4.646 1.00 0.00 O ATOM 0 H GLY B 23 13.420 9.822 -3.184 1.00 0.00 H new ATOM 0 HA2 GLY B 23 13.351 8.767 -5.195 1.00 0.00 H new ATOM 0 HA3 GLY B 23 15.075 8.993 -5.415 1.00 0.00 H new ATOM 1352 N GLU B 24 13.609 6.696 -3.528 1.00 0.00 N ATOM 1353 CA GLU B 24 13.582 5.270 -3.163 1.00 0.00 C ATOM 1354 C GLU B 24 12.119 4.814 -3.054 1.00 0.00 C ATOM 1355 O GLU B 24 11.231 5.638 -2.814 1.00 0.00 O ATOM 1356 CB GLU B 24 14.313 4.998 -1.810 1.00 0.00 C ATOM 1357 CG GLU B 24 13.514 5.408 -0.539 1.00 0.00 C ATOM 1358 CD GLU B 24 14.034 4.756 0.745 1.00 0.00 C ATOM 1359 OE1 GLU B 24 13.713 3.576 0.991 1.00 0.00 O ATOM 1360 OE2 GLU B 24 14.759 5.412 1.516 1.00 0.00 O ATOM 0 H GLU B 24 12.834 7.231 -3.136 1.00 0.00 H new ATOM 0 HA GLU B 24 14.106 4.711 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU B 24 14.547 3.935 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU B 24 15.262 5.533 -1.813 1.00 0.00 H new ATOM 0 HG2 GLU B 24 13.553 6.492 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU B 24 12.467 5.139 -0.675 1.00 0.00 H new ATOM 1367 N THR B 25 11.879 3.516 -3.230 1.00 0.00 N ATOM 1368 CA THR B 25 10.551 2.921 -3.043 1.00 0.00 C ATOM 1369 C THR B 25 10.393 2.446 -1.583 1.00 0.00 C ATOM 1370 O THR B 25 11.304 1.842 -0.999 1.00 0.00 O ATOM 1371 CB THR B 25 10.331 1.750 -4.044 1.00 0.00 C ATOM 1372 OG1 THR B 25 10.504 2.220 -5.386 1.00 0.00 O ATOM 1373 CG2 THR B 25 8.945 1.098 -3.911 1.00 0.00 C ATOM 0 H THR B 25 12.596 2.845 -3.506 1.00 0.00 H new ATOM 0 HA THR B 25 9.790 3.675 -3.245 1.00 0.00 H new ATOM 0 HB THR B 25 11.073 0.988 -3.804 1.00 0.00 H new ATOM 0 HG1 THR B 25 10.685 1.460 -5.978 1.00 0.00 H new ATOM 0 HG21 THR B 25 8.853 0.289 -4.635 1.00 0.00 H new ATOM 0 HG22 THR B 25 8.826 0.699 -2.904 1.00 0.00 H new ATOM 0 HG23 THR B 25 8.173 1.844 -4.099 1.00 0.00 H new ATOM 1381 N MET B 26 9.219 2.733 -1.025 1.00 0.00 N ATOM 1382 CA MET B 26 8.891 2.478 0.391 1.00 0.00 C ATOM 1383 C MET B 26 7.749 1.448 0.546 1.00 0.00 C ATOM 1384 O MET B 26 7.659 0.782 1.579 1.00 0.00 O ATOM 1385 CB MET B 26 8.602 3.827 1.104 1.00 0.00 C ATOM 1386 CG MET B 26 7.740 4.814 0.303 1.00 0.00 C ATOM 1387 SD MET B 26 6.099 4.193 -0.087 1.00 0.00 S ATOM 1388 CE MET B 26 5.444 3.983 1.557 1.00 0.00 C ATOM 0 H MET B 26 8.451 3.156 -1.546 1.00 0.00 H new ATOM 0 HA MET B 26 9.750 2.019 0.880 1.00 0.00 H new ATOM 0 HB2 MET B 26 8.105 3.620 2.052 1.00 0.00 H new ATOM 0 HB3 MET B 26 9.552 4.307 1.340 1.00 0.00 H new ATOM 0 HG2 MET B 26 7.643 5.740 0.870 1.00 0.00 H new ATOM 0 HG3 MET B 26 8.255 5.061 -0.625 1.00 0.00 H new ATOM 0 HE1 MET B 26 4.648 3.239 1.539 1.00 0.00 H new ATOM 0 HE2 MET B 26 6.238 3.649 2.225 1.00 0.00 H new ATOM 0 HE3 MET B 26 5.045 4.933 1.914 1.00 0.00 H new ATOM 1398 N PHE B 27 6.870 1.333 -0.467 1.00 0.00 N ATOM 1399 CA PHE B 27 5.906 0.212 -0.558 1.00 0.00 C ATOM 1400 C PHE B 27 5.657 -0.134 -2.027 1.00 0.00 C ATOM 1401 O PHE B 27 5.887 0.689 -2.910 1.00 0.00 O ATOM 1402 CB PHE B 27 4.549 0.499 0.200 1.00 0.00 C ATOM 1403 CG PHE B 27 3.411 1.145 -0.610 1.00 0.00 C ATOM 1404 CD1 PHE B 27 2.504 0.371 -1.347 1.00 0.00 C ATOM 1405 CD2 PHE B 27 3.260 2.515 -0.637 1.00 0.00 C ATOM 1406 CE1 PHE B 27 1.498 0.981 -2.075 1.00 0.00 C ATOM 1407 CE2 PHE B 27 2.262 3.123 -1.342 1.00 0.00 C ATOM 1408 CZ PHE B 27 1.376 2.365 -2.071 1.00 0.00 C ATOM 0 H PHE B 27 6.805 2.001 -1.235 1.00 0.00 H new ATOM 0 HA PHE B 27 6.352 -0.645 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE B 27 4.182 -0.445 0.604 1.00 0.00 H new ATOM 0 HB3 PHE B 27 4.768 1.146 1.050 1.00 0.00 H new ATOM 0 HD1 PHE B 27 2.591 -0.706 -1.347 1.00 0.00 H new ATOM 0 HD2 PHE B 27 3.955 3.128 -0.082 1.00 0.00 H new ATOM 0 HE1 PHE B 27 0.806 0.380 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE B 27 2.168 4.199 -1.327 1.00 0.00 H new ATOM 0 HZ PHE B 27 0.590 2.843 -2.637 1.00 0.00 H new ATOM 1418 N SER B 28 5.141 -1.349 -2.230 1.00 0.00 N ATOM 1419 CA SER B 28 4.761 -1.884 -3.544 1.00 0.00 C ATOM 1420 C SER B 28 3.895 -3.136 -3.373 1.00 0.00 C ATOM 1421 O SER B 28 3.526 -3.493 -2.258 1.00 0.00 O ATOM 1422 CB SER B 28 6.025 -2.227 -4.379 1.00 0.00 C ATOM 1423 OG SER B 28 6.808 -3.226 -3.756 1.00 0.00 O ATOM 0 H SER B 28 4.971 -2.005 -1.468 1.00 0.00 H new ATOM 0 HA SER B 28 4.188 -1.123 -4.073 1.00 0.00 H new ATOM 0 HB2 SER B 28 5.725 -2.565 -5.371 1.00 0.00 H new ATOM 0 HB3 SER B 28 6.625 -1.328 -4.517 1.00 0.00 H new ATOM 0 HG SER B 28 7.594 -3.418 -4.309 1.00 0.00 H new ATOM 1429 N SER B 29 3.522 -3.738 -4.506 1.00 0.00 N ATOM 1430 CA SER B 29 3.191 -5.184 -4.614 1.00 0.00 C ATOM 1431 C SER B 29 1.984 -5.592 -3.757 1.00 0.00 C ATOM 1432 O SER B 29 1.931 -6.690 -3.194 1.00 0.00 O ATOM 1433 CB SER B 29 4.445 -6.070 -4.326 1.00 0.00 C ATOM 1434 OG SER B 29 4.951 -5.919 -3.000 1.00 0.00 O ATOM 0 H SER B 29 3.437 -3.239 -5.392 1.00 0.00 H new ATOM 0 HA SER B 29 2.888 -5.360 -5.646 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.188 -7.116 -4.492 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.231 -5.818 -5.038 1.00 0.00 H new ATOM 0 HG SER B 29 5.732 -6.498 -2.880 1.00 0.00 H new ATOM 1440 N GLU B 30 1.039 -4.667 -3.671 1.00 0.00 N ATOM 1441 CA GLU B 30 -0.309 -4.925 -3.166 1.00 0.00 C ATOM 1442 C GLU B 30 -1.012 -6.011 -4.003 1.00 0.00 C ATOM 1443 O GLU B 30 -1.680 -6.884 -3.428 1.00 0.00 O ATOM 1444 CB GLU B 30 -1.176 -3.608 -3.087 1.00 0.00 C ATOM 1445 CG GLU B 30 -0.797 -2.440 -4.031 1.00 0.00 C ATOM 1446 CD GLU B 30 -0.634 -2.842 -5.495 1.00 0.00 C ATOM 1447 OE1 GLU B 30 -1.646 -3.004 -6.213 1.00 0.00 O ATOM 1448 OE2 GLU B 30 0.519 -3.050 -5.917 1.00 0.00 O ATOM 0 H GLU B 30 1.186 -3.698 -3.954 1.00 0.00 H new ATOM 0 HA GLU B 30 -0.207 -5.297 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -2.213 -3.877 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -1.133 -3.239 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -1.564 -1.669 -3.962 1.00 0.00 H new ATOM 0 HG3 GLU B 30 0.135 -1.995 -3.683 1.00 0.00 H new ATOM 1455 N GLY B 31 -0.853 -5.955 -5.352 1.00 0.00 N ATOM 1456 CA GLY B 31 -1.476 -6.926 -6.243 1.00 0.00 C ATOM 1457 C GLY B 31 -2.989 -6.836 -6.157 1.00 0.00 C ATOM 1458 O GLY B 31 -3.659 -7.849 -5.925 1.00 0.00 O ATOM 0 H GLY B 31 -0.298 -5.244 -5.829 1.00 0.00 H new ATOM 0 HA2 GLY B 31 -1.153 -6.746 -7.268 1.00 0.00 H new ATOM 0 HA3 GLY B 31 -1.150 -7.932 -5.978 1.00 0.00 H new ATOM 1462 N TYR B 32 -3.531 -5.615 -6.351 1.00 0.00 N ATOM 1463 CA TYR B 32 -4.904 -5.292 -5.931 1.00 0.00 C ATOM 1464 C TYR B 32 -5.946 -5.960 -6.855 1.00 0.00 C ATOM 1465 O TYR B 32 -6.785 -6.736 -6.379 1.00 0.00 O ATOM 1466 CB TYR B 32 -5.114 -3.752 -5.838 1.00 0.00 C ATOM 1467 CG TYR B 32 -6.423 -3.340 -5.133 1.00 0.00 C ATOM 1468 CD1 TYR B 32 -6.777 -3.907 -3.901 1.00 0.00 C ATOM 1469 CD2 TYR B 32 -7.298 -2.399 -5.687 1.00 0.00 C ATOM 1470 CE1 TYR B 32 -7.944 -3.550 -3.257 1.00 0.00 C ATOM 1471 CE2 TYR B 32 -8.467 -2.039 -5.041 1.00 0.00 C ATOM 1472 CZ TYR B 32 -8.784 -2.618 -3.829 1.00 0.00 C ATOM 1473 OH TYR B 32 -9.945 -2.262 -3.178 1.00 0.00 O ATOM 0 H TYR B 32 -3.037 -4.841 -6.795 1.00 0.00 H new ATOM 0 HA TYR B 32 -5.054 -5.701 -4.932 1.00 0.00 H new ATOM 0 HB2 TYR B 32 -4.272 -3.312 -5.304 1.00 0.00 H new ATOM 0 HB3 TYR B 32 -5.108 -3.333 -6.844 1.00 0.00 H new ATOM 0 HD1 TYR B 32 -6.124 -4.637 -3.447 1.00 0.00 H new ATOM 0 HD2 TYR B 32 -7.056 -1.945 -6.637 1.00 0.00 H new ATOM 0 HE1 TYR B 32 -8.199 -3.999 -2.308 1.00 0.00 H new ATOM 0 HE2 TYR B 32 -9.128 -1.308 -5.483 1.00 0.00 H new ATOM 0 HH TYR B 32 -9.804 -2.307 -2.209 1.00 0.00 H new ATOM 1483 N LYS B 33 -5.866 -5.685 -8.174 1.00 0.00 N ATOM 1484 CA LYS B 33 -6.800 -6.262 -9.169 1.00 0.00 C ATOM 1485 C LYS B 33 -6.304 -5.998 -10.610 1.00 0.00 C ATOM 1486 O LYS B 33 -5.767 -6.896 -11.264 1.00 0.00 O ATOM 1487 CB LYS B 33 -8.239 -5.694 -8.954 1.00 0.00 C ATOM 1488 CG LYS B 33 -9.337 -6.271 -9.873 1.00 0.00 C ATOM 1489 CD LYS B 33 -9.545 -7.788 -9.682 1.00 0.00 C ATOM 1490 CE LYS B 33 -10.668 -8.349 -10.574 1.00 0.00 C ATOM 1491 NZ LYS B 33 -10.771 -9.826 -10.472 1.00 0.00 N ATOM 0 H LYS B 33 -5.163 -5.066 -8.577 1.00 0.00 H new ATOM 0 HA LYS B 33 -6.835 -7.342 -9.026 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -8.528 -5.873 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.207 -4.613 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.276 -5.753 -9.678 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -9.074 -6.074 -10.912 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.614 -8.309 -9.905 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -9.781 -7.990 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -11.618 -7.898 -10.288 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -10.482 -8.069 -11.611 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -11.538 -10.164 -11.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.873 -10.258 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -10.974 -10.093 -9.487 1.00 0.00 H new ATOM 1505 N ALA B 34 -6.462 -4.752 -11.080 1.00 0.00 N ATOM 1506 CA ALA B 34 -6.142 -4.342 -12.467 1.00 0.00 C ATOM 1507 C ALA B 34 -5.746 -2.862 -12.470 1.00 0.00 C ATOM 1508 O ALA B 34 -5.701 -2.262 -11.392 1.00 0.00 O ATOM 1509 CB ALA B 34 -7.334 -4.616 -13.393 1.00 0.00 C ATOM 0 H ALA B 34 -6.819 -3.988 -10.506 1.00 0.00 H new ATOM 0 HA ALA B 34 -5.303 -4.926 -12.845 1.00 0.00 H new ATOM 0 HB1 ALA B 34 -7.084 -4.310 -14.409 1.00 0.00 H new ATOM 0 HB2 ALA B 34 -7.566 -5.681 -13.382 1.00 0.00 H new ATOM 0 HB3 ALA B 34 -8.201 -4.052 -13.047 1.00 0.00 H new ATOM 1515 N LYS B 35 -5.453 -2.255 -13.653 1.00 0.00 N ATOM 1516 CA LYS B 35 -4.968 -0.857 -13.725 1.00 0.00 C ATOM 1517 C LYS B 35 -6.022 0.132 -13.193 1.00 0.00 C ATOM 1518 O LYS B 35 -5.694 1.020 -12.425 1.00 0.00 O ATOM 1519 CB LYS B 35 -4.500 -0.494 -15.179 1.00 0.00 C ATOM 1520 CG LYS B 35 -5.575 -0.494 -16.316 1.00 0.00 C ATOM 1521 CD LYS B 35 -6.320 0.860 -16.483 1.00 0.00 C ATOM 1522 CE LYS B 35 -7.509 0.782 -17.455 1.00 0.00 C ATOM 1523 NZ LYS B 35 -7.093 0.457 -18.842 1.00 0.00 N ATOM 0 H LYS B 35 -5.545 -2.712 -14.560 1.00 0.00 H new ATOM 0 HA LYS B 35 -4.097 -0.771 -13.075 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.047 0.497 -15.147 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.714 -1.194 -15.462 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.091 -0.749 -17.259 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -6.306 -1.276 -16.111 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -6.677 1.193 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.617 1.613 -16.839 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -8.211 0.026 -17.104 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -8.039 1.735 -17.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -7.932 0.417 -19.456 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -6.444 1.191 -19.191 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -6.611 -0.465 -18.853 1.00 0.00 H new ATOM 1537 N ALA B 36 -7.293 -0.048 -13.605 1.00 0.00 N ATOM 1538 CA ALA B 36 -8.418 0.805 -13.160 1.00 0.00 C ATOM 1539 C ALA B 36 -8.528 0.800 -11.630 1.00 0.00 C ATOM 1540 O ALA B 36 -8.637 1.856 -11.002 1.00 0.00 O ATOM 1541 CB ALA B 36 -9.734 0.345 -13.820 1.00 0.00 C ATOM 0 H ALA B 36 -7.570 -0.785 -14.253 1.00 0.00 H new ATOM 0 HA ALA B 36 -8.225 1.831 -13.474 1.00 0.00 H new ATOM 0 HB1 ALA B 36 -10.552 0.982 -13.483 1.00 0.00 H new ATOM 0 HB2 ALA B 36 -9.642 0.416 -14.904 1.00 0.00 H new ATOM 0 HB3 ALA B 36 -9.940 -0.688 -13.540 1.00 0.00 H new ATOM 1547 N SER B 37 -8.415 -0.403 -11.040 1.00 0.00 N ATOM 1548 CA SER B 37 -8.445 -0.597 -9.581 1.00 0.00 C ATOM 1549 C SER B 37 -7.157 -0.076 -8.915 1.00 0.00 C ATOM 1550 O SER B 37 -7.176 0.264 -7.736 1.00 0.00 O ATOM 1551 CB SER B 37 -8.627 -2.088 -9.242 1.00 0.00 C ATOM 1552 OG SER B 37 -9.819 -2.607 -9.803 1.00 0.00 O ATOM 0 H SER B 37 -8.300 -1.270 -11.564 1.00 0.00 H new ATOM 0 HA SER B 37 -9.289 -0.027 -9.194 1.00 0.00 H new ATOM 0 HB2 SER B 37 -7.773 -2.653 -9.614 1.00 0.00 H new ATOM 0 HB3 SER B 37 -8.647 -2.216 -8.160 1.00 0.00 H new ATOM 0 HG SER B 37 -10.073 -3.427 -9.330 1.00 0.00 H new ATOM 1558 N ALA B 38 -6.046 -0.053 -9.681 1.00 0.00 N ATOM 1559 CA ALA B 38 -4.746 0.438 -9.198 1.00 0.00 C ATOM 1560 C ALA B 38 -4.817 1.954 -8.966 1.00 0.00 C ATOM 1561 O ALA B 38 -4.521 2.416 -7.867 1.00 0.00 O ATOM 1562 CB ALA B 38 -3.614 0.071 -10.177 1.00 0.00 C ATOM 0 H ALA B 38 -6.029 -0.374 -10.649 1.00 0.00 H new ATOM 0 HA ALA B 38 -4.518 -0.047 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -2.665 0.447 -9.794 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -3.560 -1.013 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -3.815 0.519 -11.150 1.00 0.00 H new ATOM 1568 N ILE B 39 -5.225 2.715 -10.011 1.00 0.00 N ATOM 1569 CA ILE B 39 -5.500 4.168 -9.914 1.00 0.00 C ATOM 1570 C ILE B 39 -6.495 4.461 -8.771 1.00 0.00 C ATOM 1571 O ILE B 39 -6.226 5.324 -7.941 1.00 0.00 O ATOM 1572 CB ILE B 39 -6.048 4.781 -11.289 1.00 0.00 C ATOM 1573 CG1 ILE B 39 -4.911 4.950 -12.363 1.00 0.00 C ATOM 1574 CG2 ILE B 39 -6.781 6.139 -11.084 1.00 0.00 C ATOM 1575 CD1 ILE B 39 -4.370 3.671 -12.973 1.00 0.00 C ATOM 0 H ILE B 39 -5.373 2.337 -10.947 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.548 4.653 -9.696 1.00 0.00 H new ATOM 0 HB ILE B 39 -6.770 4.055 -11.663 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -5.291 5.579 -13.168 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -4.082 5.487 -11.902 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -7.133 6.511 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -7.631 5.996 -10.417 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -6.093 6.861 -10.645 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -3.593 3.914 -13.698 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -3.950 3.043 -12.188 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -5.178 3.136 -13.473 1.00 0.00 H new ATOM 1587 N HIS B 40 -7.616 3.708 -8.728 1.00 0.00 N ATOM 1588 CA HIS B 40 -8.688 3.894 -7.717 1.00 0.00 C ATOM 1589 C HIS B 40 -8.171 3.695 -6.280 1.00 0.00 C ATOM 1590 O HIS B 40 -8.534 4.464 -5.361 1.00 0.00 O ATOM 1591 CB HIS B 40 -9.899 2.962 -8.008 1.00 0.00 C ATOM 1592 CG HIS B 40 -10.870 3.527 -9.018 1.00 0.00 C ATOM 1593 ND1 HIS B 40 -12.192 3.778 -8.731 1.00 0.00 N ATOM 1594 CD2 HIS B 40 -10.696 3.910 -10.303 1.00 0.00 C ATOM 1595 CE1 HIS B 40 -12.783 4.288 -9.790 1.00 0.00 C ATOM 1596 NE2 HIS B 40 -11.898 4.380 -10.757 1.00 0.00 N ATOM 0 H HIS B 40 -7.806 2.955 -9.390 1.00 0.00 H new ATOM 0 HA HIS B 40 -9.026 4.927 -7.796 1.00 0.00 H new ATOM 0 HB2 HIS B 40 -9.529 2.003 -8.370 1.00 0.00 H new ATOM 0 HB3 HIS B 40 -10.430 2.768 -7.076 1.00 0.00 H new ATOM 0 HD2 HIS B 40 -9.777 3.855 -10.867 1.00 0.00 H new ATOM 0 HE1 HIS B 40 -13.820 4.582 -9.854 1.00 0.00 H new ATOM 0 HE2 HIS B 40 -12.078 4.743 -11.693 1.00 0.00 H new ATOM 1605 N ALA B 41 -7.316 2.679 -6.089 1.00 0.00 N ATOM 1606 CA ALA B 41 -6.648 2.441 -4.812 1.00 0.00 C ATOM 1607 C ALA B 41 -5.806 3.668 -4.448 1.00 0.00 C ATOM 1608 O ALA B 41 -5.997 4.261 -3.400 1.00 0.00 O ATOM 1609 CB ALA B 41 -5.793 1.160 -4.880 1.00 0.00 C ATOM 0 H ALA B 41 -7.073 2.005 -6.815 1.00 0.00 H new ATOM 0 HA ALA B 41 -7.391 2.288 -4.030 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -5.303 0.998 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -6.432 0.307 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -5.038 1.267 -5.659 1.00 0.00 H new ATOM 1615 N ILE B 42 -4.940 4.082 -5.374 1.00 0.00 N ATOM 1616 CA ILE B 42 -4.101 5.284 -5.221 1.00 0.00 C ATOM 1617 C ILE B 42 -4.954 6.548 -4.942 1.00 0.00 C ATOM 1618 O ILE B 42 -4.503 7.452 -4.249 1.00 0.00 O ATOM 1619 CB ILE B 42 -3.205 5.487 -6.489 1.00 0.00 C ATOM 1620 CG1 ILE B 42 -2.257 4.270 -6.668 1.00 0.00 C ATOM 1621 CG2 ILE B 42 -2.394 6.800 -6.428 1.00 0.00 C ATOM 1622 CD1 ILE B 42 -1.553 4.219 -7.995 1.00 0.00 C ATOM 0 H ILE B 42 -4.796 3.594 -6.258 1.00 0.00 H new ATOM 0 HA ILE B 42 -3.456 5.131 -4.356 1.00 0.00 H new ATOM 0 HB ILE B 42 -3.867 5.561 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -1.510 4.288 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.834 3.354 -6.542 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -1.788 6.896 -7.329 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -3.077 7.647 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -1.743 6.786 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -0.912 3.338 -8.033 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.290 4.167 -8.796 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -0.945 5.115 -8.119 1.00 0.00 H new ATOM 1634 N GLU B 43 -6.211 6.566 -5.434 1.00 0.00 N ATOM 1635 CA GLU B 43 -7.123 7.706 -5.229 1.00 0.00 C ATOM 1636 C GLU B 43 -7.474 7.853 -3.742 1.00 0.00 C ATOM 1637 O GLU B 43 -7.664 8.975 -3.273 1.00 0.00 O ATOM 1638 CB GLU B 43 -8.408 7.614 -6.100 1.00 0.00 C ATOM 1639 CG GLU B 43 -8.173 7.767 -7.616 1.00 0.00 C ATOM 1640 CD GLU B 43 -9.468 7.854 -8.439 1.00 0.00 C ATOM 1641 OE1 GLU B 43 -10.179 6.835 -8.571 1.00 0.00 O ATOM 1642 OE2 GLU B 43 -9.798 8.950 -8.942 1.00 0.00 O ATOM 0 H GLU B 43 -6.615 5.802 -5.976 1.00 0.00 H new ATOM 0 HA GLU B 43 -6.593 8.601 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -8.887 6.652 -5.916 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -9.106 8.385 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.580 8.664 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -7.585 6.921 -7.970 1.00 0.00 H new ATOM 1649 N SER B 44 -7.526 6.716 -2.999 1.00 0.00 N ATOM 1650 CA SER B 44 -7.636 6.732 -1.514 1.00 0.00 C ATOM 1651 C SER B 44 -6.528 7.577 -0.891 1.00 0.00 C ATOM 1652 O SER B 44 -6.757 8.313 0.078 1.00 0.00 O ATOM 1653 CB SER B 44 -7.534 5.301 -0.940 1.00 0.00 C ATOM 1654 OG SER B 44 -8.719 4.555 -1.194 1.00 0.00 O ATOM 0 H SER B 44 -7.494 5.779 -3.402 1.00 0.00 H new ATOM 0 HA SER B 44 -8.607 7.162 -1.270 1.00 0.00 H new ATOM 0 HB2 SER B 44 -6.679 4.790 -1.382 1.00 0.00 H new ATOM 0 HB3 SER B 44 -7.356 5.350 0.134 1.00 0.00 H new ATOM 0 HG SER B 44 -8.531 3.858 -1.857 1.00 0.00 H new ATOM 1660 N ILE B 45 -5.316 7.448 -1.466 1.00 0.00 N ATOM 1661 CA ILE B 45 -4.137 8.115 -0.940 1.00 0.00 C ATOM 1662 C ILE B 45 -4.259 9.622 -1.214 1.00 0.00 C ATOM 1663 O ILE B 45 -4.049 10.450 -0.322 1.00 0.00 O ATOM 1664 CB ILE B 45 -2.763 7.586 -1.535 1.00 0.00 C ATOM 1665 CG1 ILE B 45 -2.773 6.048 -1.843 1.00 0.00 C ATOM 1666 CG2 ILE B 45 -1.651 7.897 -0.527 1.00 0.00 C ATOM 1667 CD1 ILE B 45 -2.709 5.141 -0.634 1.00 0.00 C ATOM 0 H ILE B 45 -5.141 6.883 -2.297 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.107 7.895 0.127 1.00 0.00 H new ATOM 0 HB ILE B 45 -2.597 8.092 -2.486 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -3.678 5.813 -2.404 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -1.927 5.820 -2.492 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -0.697 7.541 -0.916 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -1.598 8.973 -0.364 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -1.866 7.398 0.418 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -2.722 4.101 -0.959 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -1.791 5.337 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -3.568 5.331 0.009 1.00 0.00 H new ATOM 1679 N LYS B 46 -4.640 9.949 -2.468 1.00 0.00 N ATOM 1680 CA LYS B 46 -4.746 11.344 -2.969 1.00 0.00 C ATOM 1681 C LYS B 46 -5.778 12.179 -2.197 1.00 0.00 C ATOM 1682 O LYS B 46 -5.727 13.413 -2.212 1.00 0.00 O ATOM 1683 CB LYS B 46 -5.082 11.380 -4.501 1.00 0.00 C ATOM 1684 CG LYS B 46 -4.341 10.345 -5.399 1.00 0.00 C ATOM 1685 CD LYS B 46 -2.848 10.141 -5.031 1.00 0.00 C ATOM 1686 CE LYS B 46 -1.984 11.364 -5.287 1.00 0.00 C ATOM 1687 NZ LYS B 46 -1.727 11.560 -6.730 1.00 0.00 N ATOM 0 H LYS B 46 -4.885 9.250 -3.169 1.00 0.00 H new ATOM 0 HA LYS B 46 -3.766 11.792 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -6.155 11.228 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -4.859 12.379 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -4.855 9.386 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -4.407 10.668 -6.438 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -2.776 9.870 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -2.453 9.302 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -2.476 12.248 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -1.036 11.257 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -0.844 12.095 -6.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -1.641 10.634 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -2.515 12.089 -7.154 1.00 0.00 H new ATOM 1701 N ARG B 47 -6.697 11.477 -1.537 1.00 0.00 N ATOM 1702 CA ARG B 47 -7.775 12.098 -0.742 1.00 0.00 C ATOM 1703 C ARG B 47 -7.202 12.968 0.405 1.00 0.00 C ATOM 1704 O ARG B 47 -7.241 14.197 0.318 1.00 0.00 O ATOM 1705 CB ARG B 47 -8.766 11.022 -0.196 1.00 0.00 C ATOM 1706 CG ARG B 47 -9.656 10.348 -1.263 1.00 0.00 C ATOM 1707 CD ARG B 47 -10.588 11.351 -1.969 1.00 0.00 C ATOM 1708 NE ARG B 47 -11.536 11.964 -1.026 1.00 0.00 N ATOM 1709 CZ ARG B 47 -11.722 13.278 -0.836 1.00 0.00 C ATOM 1710 NH1 ARG B 47 -11.061 14.181 -1.547 1.00 0.00 N ATOM 1711 NH2 ARG B 47 -12.578 13.682 0.080 1.00 0.00 N ATOM 0 H ARG B 47 -6.722 10.457 -1.533 1.00 0.00 H new ATOM 0 HA ARG B 47 -8.335 12.757 -1.405 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -8.193 10.250 0.317 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -9.410 11.489 0.549 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -9.023 9.860 -2.004 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -10.255 9.568 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -9.992 12.130 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -11.138 10.842 -2.761 1.00 0.00 H new ATOM 0 HE ARG B 47 -12.105 11.330 -0.464 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -10.393 13.882 -2.258 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -11.220 15.175 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -13.091 12.998 0.636 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -12.728 14.679 0.234 1.00 0.00 H new ATOM 1725 N ASN B 48 -6.644 12.329 1.449 1.00 0.00 N ATOM 1726 CA ASN B 48 -6.151 13.020 2.669 1.00 0.00 C ATOM 1727 C ASN B 48 -5.201 12.071 3.452 1.00 0.00 C ATOM 1728 O ASN B 48 -5.033 12.207 4.658 1.00 0.00 O ATOM 1729 CB ASN B 48 -7.351 13.507 3.551 1.00 0.00 C ATOM 1730 CG ASN B 48 -6.962 14.366 4.767 1.00 0.00 C ATOM 1731 OD1 ASN B 48 -6.003 15.134 4.726 1.00 0.00 O ATOM 1732 ND2 ASN B 48 -7.696 14.226 5.860 1.00 0.00 N ATOM 0 H ASN B 48 -6.519 11.317 1.477 1.00 0.00 H new ATOM 0 HA ASN B 48 -5.586 13.908 2.384 1.00 0.00 H new ATOM 0 HB2 ASN B 48 -8.033 14.081 2.924 1.00 0.00 H new ATOM 0 HB3 ASN B 48 -7.900 12.634 3.903 1.00 0.00 H new ATOM 0 HD21 ASN B 48 -7.471 14.763 6.697 1.00 0.00 H new ATOM 0 HD22 ASN B 48 -8.486 13.581 5.865 1.00 0.00 H new ATOM 1739 N SER B 49 -4.608 11.076 2.758 1.00 0.00 N ATOM 1740 CA SER B 49 -3.780 10.027 3.406 1.00 0.00 C ATOM 1741 C SER B 49 -2.537 10.598 4.125 1.00 0.00 C ATOM 1742 O SER B 49 -2.035 9.998 5.085 1.00 0.00 O ATOM 1743 CB SER B 49 -3.343 8.990 2.378 1.00 0.00 C ATOM 1744 OG SER B 49 -2.668 7.905 2.974 1.00 0.00 O ATOM 0 H SER B 49 -4.686 10.974 1.746 1.00 0.00 H new ATOM 0 HA SER B 49 -4.408 9.562 4.166 1.00 0.00 H new ATOM 0 HB2 SER B 49 -4.217 8.622 1.841 1.00 0.00 H new ATOM 0 HB3 SER B 49 -2.692 9.462 1.642 1.00 0.00 H new ATOM 0 HG SER B 49 -3.315 7.211 3.217 1.00 0.00 H new ATOM 1750 N ALA B 50 -2.032 11.741 3.636 1.00 0.00 N ATOM 1751 CA ALA B 50 -0.986 12.509 4.331 1.00 0.00 C ATOM 1752 C ALA B 50 -1.466 12.988 5.721 1.00 0.00 C ATOM 1753 O ALA B 50 -0.672 13.082 6.664 1.00 0.00 O ATOM 1754 CB ALA B 50 -0.529 13.684 3.453 1.00 0.00 C ATOM 0 H ALA B 50 -2.334 12.157 2.755 1.00 0.00 H new ATOM 0 HA ALA B 50 -0.131 11.855 4.502 1.00 0.00 H new ATOM 0 HB1 ALA B 50 0.245 14.248 3.974 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -0.130 13.302 2.513 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -1.378 14.337 3.248 1.00 0.00 H new ATOM 1760 N GLY B 51 -2.780 13.272 5.827 1.00 0.00 N ATOM 1761 CA GLY B 51 -3.419 13.645 7.086 1.00 0.00 C ATOM 1762 C GLY B 51 -4.148 12.483 7.777 1.00 0.00 C ATOM 1763 O GLY B 51 -4.792 12.694 8.810 1.00 0.00 O ATOM 0 H GLY B 51 -3.422 13.246 5.034 1.00 0.00 H new ATOM 0 HA2 GLY B 51 -2.663 14.042 7.763 1.00 0.00 H new ATOM 0 HA3 GLY B 51 -4.131 14.448 6.898 1.00 0.00 H new ATOM 1767 N ALA B 52 -4.076 11.257 7.192 1.00 0.00 N ATOM 1768 CA ALA B 52 -4.626 10.018 7.805 1.00 0.00 C ATOM 1769 C ALA B 52 -3.919 9.666 9.128 1.00 0.00 C ATOM 1770 O ALA B 52 -2.995 10.362 9.559 1.00 0.00 O ATOM 1771 CB ALA B 52 -4.530 8.840 6.813 1.00 0.00 C ATOM 0 H ALA B 52 -3.636 11.101 6.285 1.00 0.00 H new ATOM 0 HA ALA B 52 -5.675 10.205 8.036 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -4.936 7.941 7.276 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -5.100 9.074 5.914 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -3.486 8.672 6.548 1.00 0.00 H new ATOM 1777 N ASP B 53 -4.373 8.587 9.778 1.00 0.00 N ATOM 1778 CA ASP B 53 -3.769 8.098 11.036 1.00 0.00 C ATOM 1779 C ASP B 53 -2.967 6.811 10.770 1.00 0.00 C ATOM 1780 O ASP B 53 -3.195 6.136 9.768 1.00 0.00 O ATOM 1781 CB ASP B 53 -4.874 7.872 12.102 1.00 0.00 C ATOM 1782 CG ASP B 53 -4.314 7.489 13.488 1.00 0.00 C ATOM 1783 OD1 ASP B 53 -3.482 8.250 14.036 1.00 0.00 O ATOM 1784 OD2 ASP B 53 -4.691 6.433 14.036 1.00 0.00 O ATOM 0 H ASP B 53 -5.163 8.028 9.455 1.00 0.00 H new ATOM 0 HA ASP B 53 -3.079 8.847 11.424 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -5.470 8.780 12.196 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -5.545 7.085 11.759 1.00 0.00 H new ATOM 1789 N THR B 54 -2.002 6.504 11.646 1.00 0.00 N ATOM 1790 CA THR B 54 -1.176 5.283 11.546 1.00 0.00 C ATOM 1791 C THR B 54 -1.377 4.406 12.807 1.00 0.00 C ATOM 1792 O THR B 54 -0.971 4.783 13.911 1.00 0.00 O ATOM 1793 CB THR B 54 0.326 5.674 11.338 1.00 0.00 C ATOM 1794 OG1 THR B 54 0.427 6.635 10.266 1.00 0.00 O ATOM 1795 CG2 THR B 54 1.213 4.465 11.002 1.00 0.00 C ATOM 0 H THR B 54 -1.768 7.092 12.446 1.00 0.00 H new ATOM 0 HA THR B 54 -1.488 4.695 10.683 1.00 0.00 H new ATOM 0 HB THR B 54 0.680 6.095 12.279 1.00 0.00 H new ATOM 0 HG1 THR B 54 1.366 6.882 10.136 1.00 0.00 H new ATOM 0 HG21 THR B 54 2.243 4.795 10.869 1.00 0.00 H new ATOM 0 HG22 THR B 54 1.166 3.742 11.816 1.00 0.00 H new ATOM 0 HG23 THR B 54 0.859 3.999 10.082 1.00 0.00 H new ATOM 1803 N VAL B 55 -2.037 3.249 12.618 1.00 0.00 N ATOM 1804 CA VAL B 55 -2.387 2.286 13.695 1.00 0.00 C ATOM 1805 C VAL B 55 -1.545 0.997 13.556 1.00 0.00 C ATOM 1806 O VAL B 55 -1.465 0.431 12.467 1.00 0.00 O ATOM 1807 CB VAL B 55 -3.913 1.895 13.635 1.00 0.00 C ATOM 1808 CG1 VAL B 55 -4.309 0.947 14.799 1.00 0.00 C ATOM 1809 CG2 VAL B 55 -4.813 3.147 13.606 1.00 0.00 C ATOM 0 H VAL B 55 -2.351 2.945 11.696 1.00 0.00 H new ATOM 0 HA VAL B 55 -2.177 2.771 14.648 1.00 0.00 H new ATOM 0 HB VAL B 55 -4.070 1.351 12.704 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -5.368 0.700 14.723 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -3.718 0.033 14.741 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -4.119 1.441 15.752 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -5.859 2.842 13.565 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -4.643 3.739 14.506 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -4.575 3.746 12.727 1.00 0.00 H new ATOM 1819 N ASP B 56 -0.928 0.542 14.660 1.00 0.00 N ATOM 1820 CA ASP B 56 -0.147 -0.716 14.693 1.00 0.00 C ATOM 1821 C ASP B 56 -0.913 -1.809 15.473 1.00 0.00 C ATOM 1822 O ASP B 56 -1.113 -1.701 16.689 1.00 0.00 O ATOM 1823 CB ASP B 56 1.246 -0.462 15.315 1.00 0.00 C ATOM 1824 CG ASP B 56 2.137 -1.722 15.343 1.00 0.00 C ATOM 1825 OD1 ASP B 56 2.870 -1.975 14.369 1.00 0.00 O ATOM 1826 OD2 ASP B 56 2.107 -2.466 16.349 1.00 0.00 O ATOM 0 H ASP B 56 -0.954 1.031 15.555 1.00 0.00 H new ATOM 0 HA ASP B 56 -0.006 -1.070 13.672 1.00 0.00 H new ATOM 0 HB2 ASP B 56 1.752 0.321 14.750 1.00 0.00 H new ATOM 0 HB3 ASP B 56 1.121 -0.091 16.332 1.00 0.00 H new ATOM 1831 N LEU B 57 -1.351 -2.843 14.737 1.00 0.00 N ATOM 1832 CA LEU B 57 -2.066 -4.018 15.277 1.00 0.00 C ATOM 1833 C LEU B 57 -1.114 -5.120 15.805 1.00 0.00 C ATOM 1834 O LEU B 57 -1.506 -5.899 16.674 1.00 0.00 O ATOM 1835 CB LEU B 57 -2.966 -4.629 14.168 1.00 0.00 C ATOM 1836 CG LEU B 57 -3.944 -3.642 13.460 1.00 0.00 C ATOM 1837 CD1 LEU B 57 -4.662 -4.331 12.281 1.00 0.00 C ATOM 1838 CD2 LEU B 57 -4.956 -3.033 14.459 1.00 0.00 C ATOM 0 H LEU B 57 -1.216 -2.889 13.727 1.00 0.00 H new ATOM 0 HA LEU B 57 -2.659 -3.664 16.121 1.00 0.00 H new ATOM 0 HB2 LEU B 57 -2.322 -5.077 13.411 1.00 0.00 H new ATOM 0 HB3 LEU B 57 -3.551 -5.437 14.607 1.00 0.00 H new ATOM 0 HG LEU B 57 -3.353 -2.819 13.057 1.00 0.00 H new ATOM 0 HD11 LEU B 57 -5.339 -3.623 11.803 1.00 0.00 H new ATOM 0 HD12 LEU B 57 -3.924 -4.674 11.556 1.00 0.00 H new ATOM 0 HD13 LEU B 57 -5.231 -5.184 12.650 1.00 0.00 H new ATOM 0 HD21 LEU B 57 -5.622 -2.350 13.931 1.00 0.00 H new ATOM 0 HD22 LEU B 57 -5.542 -3.831 14.915 1.00 0.00 H new ATOM 0 HD23 LEU B 57 -4.418 -2.488 15.235 1.00 0.00 H new ATOM 1850 N THR B 58 0.140 -5.178 15.307 1.00 0.00 N ATOM 1851 CA THR B 58 1.042 -6.335 15.583 1.00 0.00 C ATOM 1852 C THR B 58 1.769 -6.198 16.938 1.00 0.00 C ATOM 1853 O THR B 58 2.604 -7.037 17.286 1.00 0.00 O ATOM 1854 CB THR B 58 2.058 -6.588 14.407 1.00 0.00 C ATOM 1855 OG1 THR B 58 2.947 -7.685 14.688 1.00 0.00 O ATOM 1856 CG2 THR B 58 2.890 -5.350 14.044 1.00 0.00 C ATOM 0 H THR B 58 0.553 -4.453 14.720 1.00 0.00 H new ATOM 0 HA THR B 58 0.402 -7.214 15.651 1.00 0.00 H new ATOM 0 HB THR B 58 1.433 -6.837 13.549 1.00 0.00 H new ATOM 0 HG1 THR B 58 3.138 -7.714 15.649 1.00 0.00 H new ATOM 0 HG21 THR B 58 3.569 -5.595 13.227 1.00 0.00 H new ATOM 0 HG22 THR B 58 2.226 -4.543 13.735 1.00 0.00 H new ATOM 0 HG23 THR B 58 3.467 -5.032 14.912 1.00 0.00 H new ATOM 1864 N THR B 59 1.387 -5.185 17.738 1.00 0.00 N ATOM 1865 CA THR B 59 1.900 -5.000 19.114 1.00 0.00 C ATOM 1866 C THR B 59 1.530 -6.210 20.024 1.00 0.00 C ATOM 1867 O THR B 59 2.145 -6.417 21.077 1.00 0.00 O ATOM 1868 CB THR B 59 1.383 -3.645 19.740 1.00 0.00 C ATOM 1869 OG1 THR B 59 0.529 -2.949 18.815 1.00 0.00 O ATOM 1870 CG2 THR B 59 2.535 -2.703 20.148 1.00 0.00 C ATOM 0 H THR B 59 0.716 -4.472 17.452 1.00 0.00 H new ATOM 0 HA THR B 59 2.987 -4.948 19.054 1.00 0.00 H new ATOM 0 HB THR B 59 0.827 -3.919 20.637 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.047 -2.687 18.025 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.123 -1.787 20.572 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.163 -3.196 20.890 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.134 -2.459 19.270 1.00 0.00 H new ATOM 1878 N MET B 60 0.512 -6.983 19.599 1.00 0.00 N ATOM 1879 CA MET B 60 0.154 -8.279 20.206 1.00 0.00 C ATOM 1880 C MET B 60 0.755 -9.435 19.361 1.00 0.00 C ATOM 1881 O MET B 60 0.075 -10.047 18.525 1.00 0.00 O ATOM 1882 CB MET B 60 -1.400 -8.398 20.369 1.00 0.00 C ATOM 1883 CG MET B 60 -2.227 -8.056 19.113 1.00 0.00 C ATOM 1884 SD MET B 60 -4.011 -8.215 19.371 1.00 0.00 S ATOM 1885 CE MET B 60 -4.653 -7.613 17.802 1.00 0.00 C ATOM 0 H MET B 60 -0.090 -6.723 18.818 1.00 0.00 H new ATOM 0 HA MET B 60 0.580 -8.347 21.207 1.00 0.00 H new ATOM 0 HB2 MET B 60 -1.639 -9.417 20.674 1.00 0.00 H new ATOM 0 HB3 MET B 60 -1.714 -7.741 21.180 1.00 0.00 H new ATOM 0 HG2 MET B 60 -2.000 -7.036 18.803 1.00 0.00 H new ATOM 0 HG3 MET B 60 -1.924 -8.712 18.297 1.00 0.00 H new ATOM 0 HE1 MET B 60 -5.742 -7.653 17.815 1.00 0.00 H new ATOM 0 HE2 MET B 60 -4.329 -6.584 17.647 1.00 0.00 H new ATOM 0 HE3 MET B 60 -4.277 -8.237 16.991 1.00 0.00 H new ATOM 1895 N THR B 61 2.068 -9.686 19.549 1.00 0.00 N ATOM 1896 CA THR B 61 2.797 -10.756 18.831 1.00 0.00 C ATOM 1897 C THR B 61 2.527 -12.128 19.475 1.00 0.00 C ATOM 1898 O THR B 61 2.032 -13.052 18.813 1.00 0.00 O ATOM 1899 CB THR B 61 4.342 -10.486 18.790 1.00 0.00 C ATOM 1900 OG1 THR B 61 4.808 -10.107 20.097 1.00 0.00 O ATOM 1901 CG2 THR B 61 4.718 -9.400 17.778 1.00 0.00 C ATOM 0 H THR B 61 2.650 -9.157 20.198 1.00 0.00 H new ATOM 0 HA THR B 61 2.427 -10.760 17.806 1.00 0.00 H new ATOM 0 HB THR B 61 4.822 -11.412 18.473 1.00 0.00 H new ATOM 0 HG1 THR B 61 5.773 -9.942 20.065 1.00 0.00 H new ATOM 0 HG21 THR B 61 5.798 -9.251 17.788 1.00 0.00 H new ATOM 0 HG22 THR B 61 4.404 -9.708 16.781 1.00 0.00 H new ATOM 0 HG23 THR B 61 4.221 -8.467 18.044 1.00 0.00 H new ATOM 1909 N ALA B 62 2.857 -12.232 20.768 1.00 0.00 N ATOM 1910 CA ALA B 62 2.728 -13.468 21.549 1.00 0.00 C ATOM 1911 C ALA B 62 2.607 -13.094 23.047 1.00 0.00 C ATOM 1912 O ALA B 62 1.477 -12.810 23.497 1.00 0.00 O ATOM 1913 CB ALA B 62 3.927 -14.411 21.262 1.00 0.00 C ATOM 1914 OXT ALA B 62 3.633 -13.035 23.757 1.00 0.00 O ATOM 0 H ALA B 62 3.226 -11.450 21.308 1.00 0.00 H new ATOM 0 HA ALA B 62 1.830 -14.015 21.262 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.820 -15.324 21.847 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.948 -14.660 20.201 1.00 0.00 H new ATOM 0 HB3 ALA B 62 4.856 -13.912 21.536 1.00 0.00 H new TER 1920 ALA B 62