USER MOD reduce.3.24.130724 H: found=0, std=0, add=1380, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1376 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 CYS SG : rot 88:sc= 0.472 USER MOD Set 1.2: A 120 GLN : amide:sc= -2.79! C(o=-2.3!,f=-7.1!) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 8 SER OG : rot -116:sc= 1.09 USER MOD Set 3.2: A 10 TYR OH : rot 180:sc= -0.132 USER MOD Single : A 1 SER N :NH3+ -118:sc= 0.114 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc=0.000809 USER MOD Single : A 6 LYS NZ :NH3+ -154:sc= -0.252 (180deg=-1.33!) USER MOD Single : A 14 ASN : amide:sc= -1.57! C(o=-1.6!,f=-4.1!) USER MOD Single : A 16 GLN : amide:sc= -0.329 K(o=-0.33,f=-3.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -98:sc= -1.91! USER MOD Single : A 24 CYS SG : rot 66:sc= 0.0211 USER MOD Single : A 26 CYS SG : rot -167:sc= 0.697 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -35:sc= 0.176 USER MOD Single : A 36 CYS SG : rot 47:sc= -1.97 USER MOD Single : A 37 ASN : amide:sc= -5.33! C(o=-5.3!,f=-7.4!) USER MOD Single : A 38 SER OG : rot 50:sc= 1.04 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.232 K(o=-0.23,f=-2!) USER MOD Single : A 55 SER OG : rot 37:sc= 0.0913 USER MOD Single : A 57 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-9!) USER MOD Single : A 59 TYR OH : rot 168:sc= -1.78 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0539 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.5) USER MOD Single : A 81 SER OG : rot -91:sc= -0.174 USER MOD Single : A 82 CYS SG : rot -17:sc= -0.343 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0692 X(o=-0.069,f=-0.51) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.915 K(o=-0.91,f=-3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -3.31! K(o=-3.3!,f=-0.9) USER MOD Single : A 106 GLN : amide:sc= -0.225 K(o=-0.23,f=-2.3!) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.25) USER MOD Single : A 127 HIS : no HD1:sc= -0.271 K(o=-0.27,f=-1.8) USER MOD Single : A 128 SER OG : rot 44:sc= -0.878! USER MOD Single : A 129 CYS SG : rot 40:sc= -0.843 USER MOD Single : A 130 LYS NZ :NH3+ -142:sc= -1.1 (180deg=-1.94) USER MOD Single : A 135 THR OG1 : rot 180:sc= -0.471 USER MOD Single : A 139 TYR OH : rot 180:sc= -0.166 USER MOD Single : A 143 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.8!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.63) USER MOD Single : A 149 TYR OH : rot 165:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ -151:sc= -0.218 (180deg=-1.23) USER MOD Single : A 154 LYS NZ :NH3+ -127:sc= 1.76 (180deg=-0.143) USER MOD Single : A 156 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 SER OG : rot 180:sc= 0.036 USER MOD Single : A 170 GLN : amide:sc= -0.0551 K(o=-0.055,f=-0.81) USER MOD Single : A 171 SER OG : rot -130:sc= -0.688 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.399 -20.559 -5.145 1.00 4.50 N ATOM 2 CA SER A 1 13.534 -20.923 -4.250 1.00 4.52 C ATOM 3 C SER A 1 14.093 -19.658 -3.593 1.00 3.57 C ATOM 4 O SER A 1 13.646 -18.561 -3.858 1.00 3.03 O ATOM 5 CB SER A 1 14.634 -21.597 -5.070 1.00 4.81 C ATOM 6 OG SER A 1 14.126 -22.800 -5.634 1.00 5.28 O ATOM 0 H1 SER A 1 11.529 -21.016 -4.805 1.00 4.50 H new ATOM 0 H2 SER A 1 12.272 -19.527 -5.142 1.00 4.50 H new ATOM 0 H3 SER A 1 12.603 -20.880 -6.113 1.00 4.50 H new ATOM 0 HA SER A 1 13.182 -21.609 -3.479 1.00 4.52 H new ATOM 0 HB2 SER A 1 14.978 -20.928 -5.859 1.00 4.81 H new ATOM 0 HB3 SER A 1 15.495 -21.813 -4.438 1.00 4.81 H new ATOM 0 HG SER A 1 14.827 -23.235 -6.162 1.00 5.28 H new ATOM 14 N LYS A 2 15.065 -19.805 -2.738 1.00 3.60 N ATOM 15 CA LYS A 2 15.650 -18.611 -2.064 1.00 3.08 C ATOM 16 C LYS A 2 14.530 -17.787 -1.424 1.00 2.11 C ATOM 17 O LYS A 2 13.871 -17.007 -2.084 1.00 2.12 O ATOM 18 CB LYS A 2 16.392 -17.757 -3.095 1.00 3.28 C ATOM 19 CG LYS A 2 17.320 -18.648 -3.923 1.00 3.95 C ATOM 20 CD LYS A 2 18.290 -17.776 -4.722 1.00 4.66 C ATOM 21 CE LYS A 2 19.082 -18.652 -5.693 1.00 5.66 C ATOM 22 NZ LYS A 2 20.008 -17.799 -6.490 1.00 5.96 N ATOM 0 H LYS A 2 15.480 -20.699 -2.476 1.00 3.60 H new ATOM 0 HA LYS A 2 16.348 -18.933 -1.291 1.00 3.08 H new ATOM 0 HB2 LYS A 2 15.678 -17.253 -3.746 1.00 3.28 H new ATOM 0 HB3 LYS A 2 16.969 -16.981 -2.592 1.00 3.28 H new ATOM 0 HG2 LYS A 2 17.874 -19.321 -3.268 1.00 3.95 H new ATOM 0 HG3 LYS A 2 16.735 -19.272 -4.599 1.00 3.95 H new ATOM 0 HD2 LYS A 2 17.740 -17.011 -5.271 1.00 4.66 H new ATOM 0 HD3 LYS A 2 18.970 -17.257 -4.046 1.00 4.66 H new ATOM 0 HE2 LYS A 2 19.647 -19.405 -5.143 1.00 5.66 H new ATOM 0 HE3 LYS A 2 18.401 -19.186 -6.356 1.00 5.66 H new ATOM 0 HZ1 LYS A 2 20.547 -18.395 -7.151 1.00 5.96 H new ATOM 0 HZ2 LYS A 2 19.459 -17.097 -7.026 1.00 5.96 H new ATOM 0 HZ3 LYS A 2 20.666 -17.309 -5.850 1.00 5.96 H new ATOM 36 N THR A 3 14.278 -17.977 -0.155 1.00 1.72 N ATOM 37 CA THR A 3 13.164 -17.235 0.519 1.00 1.18 C ATOM 38 C THR A 3 13.674 -16.004 1.281 1.00 1.02 C ATOM 39 O THR A 3 13.173 -15.740 2.356 1.00 1.63 O ATOM 40 CB THR A 3 12.484 -18.176 1.514 1.00 1.48 C ATOM 41 OG1 THR A 3 13.459 -18.718 2.392 1.00 2.13 O ATOM 42 CG2 THR A 3 11.789 -19.309 0.757 1.00 2.22 C ATOM 0 H THR A 3 14.796 -18.616 0.448 1.00 1.72 H new ATOM 0 HA THR A 3 12.469 -16.895 -0.249 1.00 1.18 H new ATOM 0 HB THR A 3 11.743 -17.622 2.090 1.00 1.48 H new ATOM 0 HG1 THR A 3 13.025 -19.320 3.032 1.00 2.13 H new ATOM 0 HG21 THR A 3 11.305 -19.978 1.468 1.00 2.22 H new ATOM 0 HG22 THR A 3 11.040 -18.891 0.084 1.00 2.22 H new ATOM 0 HG23 THR A 3 12.526 -19.866 0.178 1.00 2.22 H new ATOM 50 N GLY A 4 14.609 -15.216 0.786 1.00 0.52 N ATOM 51 CA GLY A 4 15.050 -13.999 1.550 1.00 0.30 C ATOM 52 C GLY A 4 14.758 -12.779 0.675 1.00 0.41 C ATOM 53 O GLY A 4 15.330 -12.614 -0.384 1.00 0.81 O ATOM 0 H GLY A 4 15.081 -15.363 -0.106 1.00 0.52 H new ATOM 0 HA2 GLY A 4 14.518 -13.927 2.498 1.00 0.30 H new ATOM 0 HA3 GLY A 4 16.113 -14.057 1.785 1.00 0.30 H new ATOM 57 N GLY A 5 13.873 -11.924 1.109 1.00 0.01 N ATOM 58 CA GLY A 5 13.548 -10.716 0.297 1.00 0.01 C ATOM 59 C GLY A 5 14.686 -9.701 0.417 1.00 0.01 C ATOM 60 O GLY A 5 15.327 -9.592 1.444 1.00 0.01 O ATOM 0 H GLY A 5 13.362 -12.009 1.988 1.00 0.01 H new ATOM 0 HA2 GLY A 5 13.403 -10.994 -0.747 1.00 0.01 H new ATOM 0 HA3 GLY A 5 12.613 -10.273 0.642 1.00 0.01 H new ATOM 64 N LYS A 6 14.949 -8.961 -0.627 1.00 0.00 N ATOM 65 CA LYS A 6 16.059 -7.954 -0.575 1.00 0.01 C ATOM 66 C LYS A 6 15.763 -6.788 -1.516 1.00 0.01 C ATOM 67 O LYS A 6 15.310 -6.967 -2.630 1.00 0.00 O ATOM 68 CB LYS A 6 17.382 -8.608 -0.985 1.00 0.02 C ATOM 69 CG LYS A 6 18.548 -7.687 -0.605 1.00 0.02 C ATOM 70 CD LYS A 6 19.869 -8.236 -1.173 1.00 0.02 C ATOM 71 CE LYS A 6 20.412 -9.350 -0.273 1.00 0.02 C ATOM 72 NZ LYS A 6 20.597 -8.827 1.111 1.00 0.02 N ATOM 0 H LYS A 6 14.447 -9.007 -1.514 1.00 0.00 H new ATOM 0 HA LYS A 6 16.137 -7.581 0.446 1.00 0.01 H new ATOM 0 HB2 LYS A 6 17.491 -9.573 -0.491 1.00 0.02 H new ATOM 0 HB3 LYS A 6 17.389 -8.797 -2.058 1.00 0.02 H new ATOM 0 HG2 LYS A 6 18.368 -6.683 -0.990 1.00 0.02 H new ATOM 0 HG3 LYS A 6 18.617 -7.605 0.480 1.00 0.02 H new ATOM 0 HD2 LYS A 6 19.708 -8.619 -2.181 1.00 0.02 H new ATOM 0 HD3 LYS A 6 20.601 -7.432 -1.251 1.00 0.02 H new ATOM 0 HE2 LYS A 6 19.722 -10.194 -0.265 1.00 0.02 H new ATOM 0 HE3 LYS A 6 21.361 -9.718 -0.664 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 21.335 -9.378 1.595 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 20.883 -7.828 1.069 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 19.703 -8.910 1.636 1.00 0.02 H new ATOM 86 N ILE A 7 16.036 -5.586 -1.064 1.00 0.02 N ATOM 87 CA ILE A 7 15.801 -4.370 -1.906 1.00 0.00 C ATOM 88 C ILE A 7 17.068 -3.503 -1.899 1.00 0.02 C ATOM 89 O ILE A 7 17.702 -3.325 -0.878 1.00 0.01 O ATOM 90 CB ILE A 7 14.597 -3.604 -1.355 1.00 0.02 C ATOM 91 CG1 ILE A 7 14.385 -2.318 -2.157 1.00 0.02 C ATOM 92 CG2 ILE A 7 14.836 -3.250 0.108 1.00 0.01 C ATOM 93 CD1 ILE A 7 13.010 -1.729 -1.823 1.00 0.02 C ATOM 0 H ILE A 7 16.416 -5.395 -0.137 1.00 0.02 H new ATOM 0 HA ILE A 7 15.584 -4.652 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 7 13.711 -4.233 -1.438 1.00 0.02 H new ATOM 0 HG12 ILE A 7 15.168 -1.597 -1.922 1.00 0.02 H new ATOM 0 HG13 ILE A 7 14.454 -2.527 -3.225 1.00 0.02 H new ATOM 0 HG21 ILE A 7 13.976 -2.705 0.496 1.00 0.01 H new ATOM 0 HG22 ILE A 7 14.976 -4.164 0.685 1.00 0.01 H new ATOM 0 HG23 ILE A 7 15.727 -2.628 0.191 1.00 0.01 H new ATOM 0 HD11 ILE A 7 12.858 -0.813 -2.394 1.00 0.02 H new ATOM 0 HD12 ILE A 7 12.233 -2.449 -2.080 1.00 0.02 H new ATOM 0 HD13 ILE A 7 12.959 -1.505 -0.757 1.00 0.02 H new ATOM 105 N SER A 8 17.438 -2.962 -3.041 1.00 0.02 N ATOM 106 CA SER A 8 18.666 -2.099 -3.123 1.00 0.02 C ATOM 107 C SER A 8 18.292 -0.699 -3.619 1.00 0.01 C ATOM 108 O SER A 8 17.616 -0.543 -4.613 1.00 0.02 O ATOM 109 CB SER A 8 19.679 -2.719 -4.087 1.00 0.30 C ATOM 110 OG SER A 8 20.964 -2.168 -3.834 1.00 0.39 O ATOM 0 H SER A 8 16.940 -3.082 -3.923 1.00 0.02 H new ATOM 0 HA SER A 8 19.107 -2.027 -2.129 1.00 0.02 H new ATOM 0 HB2 SER A 8 19.703 -3.801 -3.961 1.00 0.30 H new ATOM 0 HB3 SER A 8 19.384 -2.525 -5.118 1.00 0.30 H new ATOM 0 HG SER A 8 21.266 -1.668 -4.621 1.00 0.39 H new ATOM 116 N PHE A 9 18.748 0.321 -2.927 1.00 0.02 N ATOM 117 CA PHE A 9 18.454 1.732 -3.334 1.00 0.01 C ATOM 118 C PHE A 9 19.745 2.404 -3.830 1.00 0.01 C ATOM 119 O PHE A 9 20.804 2.206 -3.266 1.00 0.02 O ATOM 120 CB PHE A 9 17.926 2.508 -2.121 1.00 0.02 C ATOM 121 CG PHE A 9 16.975 1.645 -1.326 1.00 0.01 C ATOM 122 CD1 PHE A 9 17.479 0.700 -0.425 1.00 0.01 C ATOM 123 CD2 PHE A 9 15.592 1.800 -1.478 1.00 0.01 C ATOM 124 CE1 PHE A 9 16.601 -0.093 0.322 1.00 0.02 C ATOM 125 CE2 PHE A 9 14.712 1.007 -0.731 1.00 0.02 C ATOM 126 CZ PHE A 9 15.217 0.061 0.169 1.00 0.02 C ATOM 0 H PHE A 9 19.319 0.232 -2.086 1.00 0.02 H new ATOM 0 HA PHE A 9 17.710 1.731 -4.130 1.00 0.01 H new ATOM 0 HB2 PHE A 9 18.758 2.822 -1.490 1.00 0.02 H new ATOM 0 HB3 PHE A 9 17.417 3.413 -2.452 1.00 0.02 H new ATOM 0 HD1 PHE A 9 18.546 0.583 -0.306 1.00 0.01 H new ATOM 0 HD2 PHE A 9 15.204 2.531 -2.171 1.00 0.01 H new ATOM 0 HE1 PHE A 9 16.990 -0.823 1.016 1.00 0.02 H new ATOM 0 HE2 PHE A 9 13.645 1.125 -0.849 1.00 0.02 H new ATOM 0 HZ PHE A 9 14.539 -0.551 0.746 1.00 0.02 H new ATOM 136 N TYR A 10 19.668 3.196 -4.877 1.00 0.02 N ATOM 137 CA TYR A 10 20.894 3.886 -5.412 1.00 0.01 C ATOM 138 C TYR A 10 20.664 5.402 -5.414 1.00 0.02 C ATOM 139 O TYR A 10 19.587 5.874 -5.726 1.00 0.01 O ATOM 140 CB TYR A 10 21.159 3.418 -6.845 1.00 0.02 C ATOM 141 CG TYR A 10 21.055 1.912 -6.919 1.00 0.02 C ATOM 142 CD1 TYR A 10 19.799 1.295 -6.857 1.00 0.02 C ATOM 143 CD2 TYR A 10 22.210 1.133 -7.052 1.00 0.00 C ATOM 144 CE1 TYR A 10 19.699 -0.100 -6.927 1.00 0.02 C ATOM 145 CE2 TYR A 10 22.111 -0.263 -7.122 1.00 0.02 C ATOM 146 CZ TYR A 10 20.855 -0.879 -7.060 1.00 0.00 C ATOM 147 OH TYR A 10 20.757 -2.253 -7.129 1.00 0.02 O ATOM 0 H TYR A 10 18.807 3.396 -5.387 1.00 0.02 H new ATOM 0 HA TYR A 10 21.750 3.643 -4.782 1.00 0.01 H new ATOM 0 HB2 TYR A 10 20.441 3.875 -7.525 1.00 0.02 H new ATOM 0 HB3 TYR A 10 22.150 3.739 -7.165 1.00 0.02 H new ATOM 0 HD1 TYR A 10 18.907 1.896 -6.755 1.00 0.02 H new ATOM 0 HD2 TYR A 10 23.179 1.608 -7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 10 18.730 -0.575 -6.878 1.00 0.02 H new ATOM 0 HE2 TYR A 10 23.003 -0.863 -7.224 1.00 0.02 H new ATOM 0 HH TYR A 10 21.652 -2.641 -7.221 1.00 0.02 H new ATOM 157 N GLU A 11 21.654 6.169 -5.032 1.00 0.00 N ATOM 158 CA GLU A 11 21.468 7.648 -4.973 1.00 0.02 C ATOM 159 C GLU A 11 21.334 8.259 -6.368 1.00 0.03 C ATOM 160 O GLU A 11 20.716 9.295 -6.518 1.00 0.03 O ATOM 161 CB GLU A 11 22.667 8.285 -4.272 1.00 0.00 C ATOM 162 CG GLU A 11 22.716 7.820 -2.817 1.00 0.00 C ATOM 163 CD GLU A 11 23.701 8.690 -2.034 1.00 0.02 C ATOM 164 OE1 GLU A 11 24.718 9.055 -2.602 1.00 0.02 O ATOM 165 OE2 GLU A 11 23.423 8.976 -0.882 1.00 0.01 O ATOM 0 H GLU A 11 22.579 5.835 -4.760 1.00 0.00 H new ATOM 0 HA GLU A 11 20.549 7.844 -4.421 1.00 0.02 H new ATOM 0 HB2 GLU A 11 23.589 8.009 -4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 11 22.591 9.372 -4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.724 7.884 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 11 23.020 6.774 -2.769 1.00 0.00 H new ATOM 172 N ASP A 12 21.898 7.654 -7.391 1.00 0.02 N ATOM 173 CA ASP A 12 21.781 8.240 -8.767 1.00 0.01 C ATOM 174 C ASP A 12 20.959 7.313 -9.667 1.00 0.02 C ATOM 175 O ASP A 12 20.641 6.194 -9.318 1.00 0.02 O ATOM 176 CB ASP A 12 23.177 8.412 -9.373 1.00 0.01 C ATOM 177 CG ASP A 12 24.111 9.039 -8.336 1.00 0.01 C ATOM 178 OD1 ASP A 12 23.608 9.589 -7.371 1.00 0.03 O ATOM 179 OD2 ASP A 12 25.315 8.959 -8.527 1.00 0.02 O ATOM 0 H ASP A 12 22.430 6.786 -7.333 1.00 0.02 H new ATOM 0 HA ASP A 12 21.285 9.208 -8.695 1.00 0.01 H new ATOM 0 HB2 ASP A 12 23.568 7.446 -9.693 1.00 0.01 H new ATOM 0 HB3 ASP A 12 23.125 9.044 -10.260 1.00 0.01 H new ATOM 184 N ARG A 13 20.610 7.798 -10.825 1.00 0.02 N ATOM 185 CA ARG A 13 19.798 6.995 -11.783 1.00 0.02 C ATOM 186 C ARG A 13 20.674 5.933 -12.453 1.00 0.00 C ATOM 187 O ARG A 13 21.881 6.052 -12.519 1.00 0.02 O ATOM 188 CB ARG A 13 19.237 7.941 -12.848 1.00 0.00 C ATOM 189 CG ARG A 13 18.105 8.776 -12.246 1.00 0.01 C ATOM 190 CD ARG A 13 17.599 9.777 -13.288 1.00 0.02 C ATOM 191 NE ARG A 13 18.749 10.560 -13.823 1.00 0.03 N ATOM 192 CZ ARG A 13 18.611 11.255 -14.919 1.00 0.02 C ATOM 193 NH1 ARG A 13 17.469 11.262 -15.551 1.00 0.02 N ATOM 194 NH2 ARG A 13 19.617 11.943 -15.385 1.00 0.02 N ATOM 0 H ARG A 13 20.857 8.731 -11.154 1.00 0.02 H new ATOM 0 HA ARG A 13 18.987 6.495 -11.253 1.00 0.02 H new ATOM 0 HB2 ARG A 13 20.026 8.594 -13.221 1.00 0.00 H new ATOM 0 HB3 ARG A 13 18.868 7.369 -13.699 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.291 8.126 -11.925 1.00 0.01 H new ATOM 0 HG3 ARG A 13 18.459 9.304 -11.361 1.00 0.01 H new ATOM 0 HD2 ARG A 13 17.095 9.251 -14.099 1.00 0.02 H new ATOM 0 HD3 ARG A 13 16.866 10.447 -12.839 1.00 0.02 H new ATOM 0 HE ARG A 13 19.643 10.553 -13.333 1.00 0.03 H new ATOM 0 HH11 ARG A 13 16.682 10.724 -15.188 1.00 0.02 H new ATOM 0 HH12 ARG A 13 17.363 11.806 -16.407 1.00 0.02 H new ATOM 0 HH21 ARG A 13 20.510 11.937 -14.893 1.00 0.02 H new ATOM 0 HH22 ARG A 13 19.510 12.486 -16.242 1.00 0.02 H new ATOM 208 N ASN A 14 20.055 4.900 -12.962 1.00 0.02 N ATOM 209 CA ASN A 14 20.807 3.813 -13.653 1.00 0.02 C ATOM 210 C ASN A 14 21.705 3.055 -12.670 1.00 0.02 C ATOM 211 O ASN A 14 22.758 2.558 -13.015 1.00 0.02 O ATOM 212 CB ASN A 14 21.634 4.424 -14.789 1.00 0.26 C ATOM 213 CG ASN A 14 20.844 5.562 -15.441 1.00 0.12 C ATOM 214 OD1 ASN A 14 19.635 5.621 -15.325 1.00 0.74 O ATOM 215 ND2 ASN A 14 21.478 6.474 -16.126 1.00 0.46 N ATOM 0 H ASN A 14 19.045 4.762 -12.927 1.00 0.02 H new ATOM 0 HA ASN A 14 20.100 3.094 -14.066 1.00 0.02 H new ATOM 0 HB2 ASN A 14 22.581 4.800 -14.402 1.00 0.26 H new ATOM 0 HB3 ASN A 14 21.873 3.661 -15.530 1.00 0.26 H new ATOM 0 HD21 ASN A 14 20.959 7.236 -16.564 1.00 0.46 H new ATOM 0 HD22 ASN A 14 22.492 6.425 -16.224 1.00 0.46 H new ATOM 222 N PHE A 15 21.253 2.941 -11.448 1.00 0.02 N ATOM 223 CA PHE A 15 22.015 2.188 -10.404 1.00 0.02 C ATOM 224 C PHE A 15 23.439 2.731 -10.258 1.00 0.00 C ATOM 225 O PHE A 15 24.386 1.984 -10.105 1.00 0.02 O ATOM 226 CB PHE A 15 22.067 0.698 -10.796 1.00 0.02 C ATOM 227 CG PHE A 15 20.817 0.329 -11.562 1.00 0.02 C ATOM 228 CD1 PHE A 15 19.615 0.115 -10.879 1.00 0.02 C ATOM 229 CD2 PHE A 15 20.864 0.202 -12.955 1.00 0.02 C ATOM 230 CE1 PHE A 15 18.459 -0.224 -11.591 1.00 0.02 C ATOM 231 CE2 PHE A 15 19.707 -0.137 -13.667 1.00 0.02 C ATOM 232 CZ PHE A 15 18.505 -0.349 -12.984 1.00 0.02 C ATOM 0 H PHE A 15 20.374 3.344 -11.123 1.00 0.02 H new ATOM 0 HA PHE A 15 21.507 2.309 -9.447 1.00 0.02 H new ATOM 0 HB2 PHE A 15 22.949 0.503 -11.405 1.00 0.02 H new ATOM 0 HB3 PHE A 15 22.153 0.080 -9.903 1.00 0.02 H new ATOM 0 HD1 PHE A 15 19.579 0.211 -9.804 1.00 0.02 H new ATOM 0 HD2 PHE A 15 21.793 0.366 -13.481 1.00 0.02 H new ATOM 0 HE1 PHE A 15 17.530 -0.389 -11.065 1.00 0.02 H new ATOM 0 HE2 PHE A 15 19.743 -0.235 -14.742 1.00 0.02 H new ATOM 0 HZ PHE A 15 17.612 -0.609 -13.532 1.00 0.02 H new ATOM 242 N GLN A 16 23.587 4.029 -10.283 1.00 0.02 N ATOM 243 CA GLN A 16 24.937 4.656 -10.123 1.00 0.02 C ATOM 244 C GLN A 16 24.959 5.419 -8.796 1.00 0.02 C ATOM 245 O GLN A 16 23.930 5.656 -8.191 1.00 0.02 O ATOM 246 CB GLN A 16 25.180 5.633 -11.280 1.00 0.02 C ATOM 247 CG GLN A 16 25.603 4.854 -12.529 1.00 0.00 C ATOM 248 CD GLN A 16 25.609 5.791 -13.737 1.00 0.00 C ATOM 249 OE1 GLN A 16 24.784 5.667 -14.621 1.00 0.02 O ATOM 250 NE2 GLN A 16 26.512 6.731 -13.816 1.00 0.02 N ATOM 0 H GLN A 16 22.822 4.692 -10.409 1.00 0.02 H new ATOM 0 HA GLN A 16 25.714 3.892 -10.129 1.00 0.02 H new ATOM 0 HB2 GLN A 16 24.274 6.203 -11.484 1.00 0.02 H new ATOM 0 HB3 GLN A 16 25.954 6.351 -11.007 1.00 0.02 H new ATOM 0 HG2 GLN A 16 26.594 4.424 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 16 24.918 4.024 -12.702 1.00 0.00 H new ATOM 0 HE21 GLN A 16 27.205 6.836 -13.075 1.00 0.02 H new ATOM 0 HE22 GLN A 16 26.524 7.360 -14.619 1.00 0.02 H new ATOM 259 N GLY A 17 26.116 5.806 -8.330 1.00 0.03 N ATOM 260 CA GLY A 17 26.188 6.554 -7.039 1.00 0.03 C ATOM 261 C GLY A 17 26.304 5.581 -5.863 1.00 0.02 C ATOM 262 O GLY A 17 26.535 4.403 -6.038 1.00 0.02 O ATOM 0 H GLY A 17 27.013 5.638 -8.785 1.00 0.03 H new ATOM 0 HA2 GLY A 17 27.046 7.226 -7.049 1.00 0.03 H new ATOM 0 HA3 GLY A 17 25.299 7.173 -6.920 1.00 0.03 H new ATOM 266 N ARG A 18 26.130 6.065 -4.665 1.00 0.00 N ATOM 267 CA ARG A 18 26.211 5.173 -3.471 1.00 0.02 C ATOM 268 C ARG A 18 25.012 4.223 -3.484 1.00 0.02 C ATOM 269 O ARG A 18 23.919 4.591 -3.870 1.00 0.02 O ATOM 270 CB ARG A 18 26.184 6.029 -2.202 1.00 0.79 C ATOM 271 CG ARG A 18 26.242 5.123 -0.971 1.00 1.49 C ATOM 272 CD ARG A 18 26.388 5.980 0.287 1.00 1.42 C ATOM 273 NE ARG A 18 26.137 5.139 1.492 1.00 2.07 N ATOM 274 CZ ARG A 18 26.486 5.571 2.673 1.00 2.35 C ATOM 275 NH1 ARG A 18 27.057 6.738 2.798 1.00 2.53 N ATOM 276 NH2 ARG A 18 26.263 4.838 3.728 1.00 2.76 N ATOM 0 H ARG A 18 25.934 7.045 -4.459 1.00 0.00 H new ATOM 0 HA ARG A 18 27.135 4.595 -3.493 1.00 0.02 H new ATOM 0 HB2 ARG A 18 27.028 6.719 -2.198 1.00 0.79 H new ATOM 0 HB3 ARG A 18 25.278 6.634 -2.178 1.00 0.79 H new ATOM 0 HG2 ARG A 18 25.337 4.518 -0.909 1.00 1.49 H new ATOM 0 HG3 ARG A 18 27.082 4.433 -1.053 1.00 1.49 H new ATOM 0 HD2 ARG A 18 27.388 6.411 0.333 1.00 1.42 H new ATOM 0 HD3 ARG A 18 25.684 6.812 0.257 1.00 1.42 H new ATOM 0 HE ARG A 18 25.693 4.226 1.393 1.00 2.07 H new ATOM 0 HH11 ARG A 18 27.230 7.312 1.973 1.00 2.53 H new ATOM 0 HH12 ARG A 18 27.330 7.076 3.721 1.00 2.53 H new ATOM 0 HH21 ARG A 18 25.816 3.927 3.630 1.00 2.76 H new ATOM 0 HH22 ARG A 18 26.536 5.176 4.651 1.00 2.76 H new ATOM 290 N ARG A 19 25.223 2.990 -3.087 1.00 0.02 N ATOM 291 CA ARG A 19 24.120 1.975 -3.094 1.00 0.02 C ATOM 292 C ARG A 19 23.930 1.397 -1.687 1.00 0.02 C ATOM 293 O ARG A 19 24.865 1.278 -0.920 1.00 0.02 O ATOM 294 CB ARG A 19 24.516 0.848 -4.064 1.00 0.85 C ATOM 295 CG ARG A 19 23.572 -0.377 -3.925 1.00 1.31 C ATOM 296 CD ARG A 19 24.206 -1.470 -3.044 1.00 1.34 C ATOM 297 NE ARG A 19 23.459 -2.745 -3.227 1.00 1.50 N ATOM 298 CZ ARG A 19 23.992 -3.871 -2.843 1.00 1.63 C ATOM 299 NH1 ARG A 19 25.170 -3.877 -2.283 1.00 1.72 N ATOM 300 NH2 ARG A 19 23.344 -4.991 -3.016 1.00 1.89 N ATOM 0 H ARG A 19 26.122 2.640 -2.755 1.00 0.02 H new ATOM 0 HA ARG A 19 23.185 2.440 -3.408 1.00 0.02 H new ATOM 0 HB2 ARG A 19 24.484 1.220 -5.088 1.00 0.85 H new ATOM 0 HB3 ARG A 19 25.544 0.542 -3.868 1.00 0.85 H new ATOM 0 HG2 ARG A 19 22.623 -0.061 -3.491 1.00 1.31 H new ATOM 0 HG3 ARG A 19 23.352 -0.784 -4.912 1.00 1.31 H new ATOM 0 HD2 ARG A 19 25.253 -1.607 -3.312 1.00 1.34 H new ATOM 0 HD3 ARG A 19 24.182 -1.168 -1.997 1.00 1.34 H new ATOM 0 HE ARG A 19 22.532 -2.737 -3.652 1.00 1.50 H new ATOM 0 HH11 ARG A 19 25.674 -3.001 -2.146 1.00 1.72 H new ATOM 0 HH12 ARG A 19 25.587 -4.758 -1.982 1.00 1.72 H new ATOM 0 HH21 ARG A 19 22.422 -4.985 -3.451 1.00 1.89 H new ATOM 0 HH22 ARG A 19 23.760 -5.873 -2.716 1.00 1.89 H new ATOM 314 N TYR A 20 22.719 1.015 -1.361 1.00 0.02 N ATOM 315 CA TYR A 20 22.443 0.409 -0.016 1.00 0.02 C ATOM 316 C TYR A 20 21.538 -0.811 -0.178 1.00 0.02 C ATOM 317 O TYR A 20 20.539 -0.755 -0.860 1.00 0.02 O ATOM 318 CB TYR A 20 21.763 1.414 0.916 1.00 0.02 C ATOM 319 CG TYR A 20 21.853 0.880 2.327 1.00 0.01 C ATOM 320 CD1 TYR A 20 20.989 -0.140 2.743 1.00 0.01 C ATOM 321 CD2 TYR A 20 22.823 1.379 3.205 1.00 0.02 C ATOM 322 CE1 TYR A 20 21.091 -0.655 4.039 1.00 0.02 C ATOM 323 CE2 TYR A 20 22.926 0.858 4.500 1.00 0.02 C ATOM 324 CZ TYR A 20 22.061 -0.158 4.916 1.00 0.02 C ATOM 325 OH TYR A 20 22.165 -0.671 6.192 1.00 0.01 O ATOM 0 H TYR A 20 21.905 1.096 -1.970 1.00 0.02 H new ATOM 0 HA TYR A 20 23.397 0.116 0.423 1.00 0.02 H new ATOM 0 HB2 TYR A 20 22.248 2.387 0.846 1.00 0.02 H new ATOM 0 HB3 TYR A 20 20.721 1.556 0.628 1.00 0.02 H new ATOM 0 HD1 TYR A 20 20.245 -0.529 2.064 1.00 0.01 H new ATOM 0 HD2 TYR A 20 23.491 2.165 2.883 1.00 0.02 H new ATOM 0 HE1 TYR A 20 20.420 -1.437 4.363 1.00 0.02 H new ATOM 0 HE2 TYR A 20 23.674 1.241 5.178 1.00 0.02 H new ATOM 0 HH TYR A 20 22.890 -0.216 6.669 1.00 0.01 H new ATOM 335 N ASP A 21 21.873 -1.906 0.457 1.00 0.01 N ATOM 336 CA ASP A 21 21.030 -3.145 0.362 1.00 0.02 C ATOM 337 C ASP A 21 20.337 -3.384 1.709 1.00 0.00 C ATOM 338 O ASP A 21 20.933 -3.248 2.758 1.00 0.01 O ATOM 339 CB ASP A 21 21.938 -4.334 0.042 1.00 0.12 C ATOM 340 CG ASP A 21 23.203 -4.255 0.898 1.00 0.41 C ATOM 341 OD1 ASP A 21 23.933 -3.287 0.755 1.00 1.12 O ATOM 342 OD2 ASP A 21 23.423 -5.165 1.682 1.00 0.56 O ATOM 0 H ASP A 21 22.702 -1.999 1.044 1.00 0.01 H new ATOM 0 HA ASP A 21 20.279 -3.030 -0.420 1.00 0.02 H new ATOM 0 HB2 ASP A 21 21.413 -5.269 0.236 1.00 0.12 H new ATOM 0 HB3 ASP A 21 22.201 -4.330 -1.016 1.00 0.12 H new ATOM 347 N CYS A 22 19.066 -3.728 1.678 1.00 0.01 N ATOM 348 CA CYS A 22 18.301 -3.965 2.948 1.00 0.00 C ATOM 349 C CYS A 22 17.604 -5.328 2.882 1.00 0.02 C ATOM 350 O CYS A 22 17.054 -5.709 1.863 1.00 0.01 O ATOM 351 CB CYS A 22 17.255 -2.863 3.116 1.00 0.00 C ATOM 352 SG CYS A 22 16.340 -3.134 4.653 1.00 0.02 S ATOM 0 H CYS A 22 18.525 -3.855 0.823 1.00 0.01 H new ATOM 0 HA CYS A 22 18.986 -3.953 3.796 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.739 -1.887 3.135 1.00 0.00 H new ATOM 0 HB3 CYS A 22 16.571 -2.863 2.267 1.00 0.00 H new ATOM 0 HG CYS A 22 15.217 -3.733 4.389 1.00 0.02 H new ATOM 358 N ASP A 23 17.632 -6.068 3.968 1.00 0.01 N ATOM 359 CA ASP A 23 16.988 -7.422 4.001 1.00 0.02 C ATOM 360 C ASP A 23 15.880 -7.469 5.064 1.00 0.00 C ATOM 361 O ASP A 23 15.369 -8.524 5.383 1.00 0.02 O ATOM 362 CB ASP A 23 18.054 -8.466 4.339 1.00 0.16 C ATOM 363 CG ASP A 23 18.581 -8.219 5.753 1.00 0.17 C ATOM 364 OD1 ASP A 23 19.241 -7.213 5.950 1.00 0.20 O ATOM 365 OD2 ASP A 23 18.317 -9.040 6.615 1.00 0.17 O ATOM 0 H ASP A 23 18.078 -5.788 4.841 1.00 0.01 H new ATOM 0 HA ASP A 23 16.545 -7.630 3.027 1.00 0.02 H new ATOM 0 HB2 ASP A 23 17.632 -9.468 4.267 1.00 0.16 H new ATOM 0 HB3 ASP A 23 18.872 -8.412 3.620 1.00 0.16 H new ATOM 370 N CYS A 24 15.493 -6.344 5.612 1.00 0.01 N ATOM 371 CA CYS A 24 14.408 -6.352 6.645 1.00 0.01 C ATOM 372 C CYS A 24 13.794 -4.949 6.740 1.00 0.01 C ATOM 373 O CYS A 24 14.268 -4.021 6.119 1.00 0.01 O ATOM 374 CB CYS A 24 14.993 -6.752 8.001 1.00 0.62 C ATOM 375 SG CYS A 24 16.147 -5.473 8.556 1.00 1.23 S ATOM 0 H CYS A 24 15.878 -5.425 5.392 1.00 0.01 H new ATOM 0 HA CYS A 24 13.638 -7.070 6.363 1.00 0.01 H new ATOM 0 HB2 CYS A 24 14.194 -6.879 8.731 1.00 0.62 H new ATOM 0 HB3 CYS A 24 15.506 -7.710 7.920 1.00 0.62 H new ATOM 0 HG CYS A 24 15.497 -4.370 8.783 1.00 1.23 H new ATOM 381 N ASP A 25 12.741 -4.775 7.499 1.00 0.02 N ATOM 382 CA ASP A 25 12.106 -3.427 7.609 1.00 0.01 C ATOM 383 C ASP A 25 13.081 -2.418 8.222 1.00 0.02 C ATOM 384 O ASP A 25 13.869 -2.744 9.087 1.00 0.00 O ATOM 385 CB ASP A 25 10.877 -3.528 8.513 1.00 0.01 C ATOM 386 CG ASP A 25 9.878 -4.517 7.911 1.00 0.01 C ATOM 387 OD1 ASP A 25 10.281 -5.290 7.056 1.00 0.01 O ATOM 388 OD2 ASP A 25 8.726 -4.484 8.315 1.00 0.01 O ATOM 0 H ASP A 25 12.294 -5.509 8.048 1.00 0.02 H new ATOM 0 HA ASP A 25 11.825 -3.091 6.611 1.00 0.01 H new ATOM 0 HB2 ASP A 25 11.172 -3.855 9.510 1.00 0.01 H new ATOM 0 HB3 ASP A 25 10.413 -2.548 8.623 1.00 0.01 H new ATOM 393 N CYS A 26 13.008 -1.181 7.788 1.00 0.01 N ATOM 394 CA CYS A 26 13.900 -0.113 8.347 1.00 0.01 C ATOM 395 C CYS A 26 13.063 1.139 8.636 1.00 0.01 C ATOM 396 O CYS A 26 12.450 1.704 7.750 1.00 0.01 O ATOM 397 CB CYS A 26 14.990 0.221 7.335 1.00 0.01 C ATOM 398 SG CYS A 26 16.249 1.254 8.123 1.00 0.02 S ATOM 0 H CYS A 26 12.363 -0.863 7.064 1.00 0.01 H new ATOM 0 HA CYS A 26 14.363 -0.465 9.269 1.00 0.01 H new ATOM 0 HB2 CYS A 26 15.442 -0.695 6.955 1.00 0.01 H new ATOM 0 HB3 CYS A 26 14.560 0.742 6.480 1.00 0.01 H new ATOM 0 HG CYS A 26 17.021 1.768 7.212 1.00 0.02 H new ATOM 404 N ALA A 27 13.002 1.551 9.876 1.00 0.01 N ATOM 405 CA ALA A 27 12.168 2.736 10.238 1.00 0.01 C ATOM 406 C ALA A 27 12.859 4.048 9.848 1.00 0.01 C ATOM 407 O ALA A 27 12.217 5.071 9.724 1.00 0.02 O ATOM 408 CB ALA A 27 11.905 2.729 11.745 1.00 0.24 C ATOM 0 H ALA A 27 13.495 1.116 10.656 1.00 0.01 H new ATOM 0 HA ALA A 27 11.228 2.671 9.690 1.00 0.01 H new ATOM 0 HB1 ALA A 27 11.296 3.593 12.012 1.00 0.24 H new ATOM 0 HB2 ALA A 27 11.377 1.815 12.018 1.00 0.24 H new ATOM 0 HB3 ALA A 27 12.854 2.774 12.280 1.00 0.24 H new ATOM 414 N ASP A 28 14.153 4.045 9.671 1.00 0.01 N ATOM 415 CA ASP A 28 14.855 5.314 9.303 1.00 0.02 C ATOM 416 C ASP A 28 16.159 4.989 8.573 1.00 0.01 C ATOM 417 O ASP A 28 17.126 4.565 9.176 1.00 0.02 O ATOM 418 CB ASP A 28 15.163 6.117 10.568 1.00 0.67 C ATOM 419 CG ASP A 28 15.723 7.488 10.180 1.00 0.90 C ATOM 420 OD1 ASP A 28 16.151 7.633 9.047 1.00 1.14 O ATOM 421 OD2 ASP A 28 15.712 8.369 11.023 1.00 0.87 O ATOM 0 H ASP A 28 14.753 3.226 9.764 1.00 0.01 H new ATOM 0 HA ASP A 28 14.212 5.903 8.648 1.00 0.02 H new ATOM 0 HB2 ASP A 28 14.258 6.237 11.164 1.00 0.67 H new ATOM 0 HB3 ASP A 28 15.883 5.580 11.186 1.00 0.67 H new ATOM 426 N PHE A 29 16.194 5.184 7.275 1.00 0.02 N ATOM 427 CA PHE A 29 17.434 4.891 6.483 1.00 0.02 C ATOM 428 C PHE A 29 18.180 6.200 6.174 1.00 0.00 C ATOM 429 O PHE A 29 19.096 6.236 5.374 1.00 0.02 O ATOM 430 CB PHE A 29 17.047 4.183 5.154 1.00 2.87 C ATOM 431 CG PHE A 29 17.318 2.683 5.216 1.00 3.99 C ATOM 432 CD1 PHE A 29 18.576 2.198 5.609 1.00 4.52 C ATOM 433 CD2 PHE A 29 16.307 1.775 4.867 1.00 4.68 C ATOM 434 CE1 PHE A 29 18.815 0.823 5.658 1.00 5.75 C ATOM 435 CE2 PHE A 29 16.552 0.397 4.914 1.00 5.85 C ATOM 436 CZ PHE A 29 17.805 -0.077 5.314 1.00 6.37 C ATOM 0 H PHE A 29 15.410 5.537 6.726 1.00 0.02 H new ATOM 0 HA PHE A 29 18.085 4.239 7.065 1.00 0.02 H new ATOM 0 HB2 PHE A 29 15.991 4.354 4.944 1.00 2.87 H new ATOM 0 HB3 PHE A 29 17.611 4.621 4.330 1.00 2.87 H new ATOM 0 HD1 PHE A 29 19.361 2.891 5.874 1.00 4.52 H new ATOM 0 HD2 PHE A 29 15.337 2.140 4.561 1.00 4.68 H new ATOM 0 HE1 PHE A 29 19.784 0.455 5.963 1.00 5.75 H new ATOM 0 HE2 PHE A 29 15.773 -0.300 4.641 1.00 5.85 H new ATOM 0 HZ PHE A 29 17.992 -1.140 5.357 1.00 6.37 H new ATOM 446 N ARG A 30 17.753 7.282 6.767 1.00 0.01 N ATOM 447 CA ARG A 30 18.385 8.604 6.486 1.00 0.00 C ATOM 448 C ARG A 30 19.873 8.618 6.853 1.00 0.01 C ATOM 449 O ARG A 30 20.644 9.358 6.275 1.00 0.02 O ATOM 450 CB ARG A 30 17.672 9.694 7.296 1.00 0.32 C ATOM 451 CG ARG A 30 16.216 9.848 6.818 1.00 0.86 C ATOM 452 CD ARG A 30 16.143 10.808 5.623 1.00 1.62 C ATOM 453 NE ARG A 30 16.723 12.126 6.005 1.00 2.25 N ATOM 454 CZ ARG A 30 17.034 12.996 5.085 1.00 2.70 C ATOM 455 NH1 ARG A 30 16.832 12.714 3.826 1.00 3.11 N ATOM 456 NH2 ARG A 30 17.547 14.147 5.421 1.00 3.02 N ATOM 0 H ARG A 30 16.987 7.307 7.440 1.00 0.01 H new ATOM 0 HA ARG A 30 18.293 8.790 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 30 17.689 9.439 8.356 1.00 0.32 H new ATOM 0 HB3 ARG A 30 18.200 10.641 7.187 1.00 0.32 H new ATOM 0 HG2 ARG A 30 15.815 8.875 6.536 1.00 0.86 H new ATOM 0 HG3 ARG A 30 15.597 10.224 7.633 1.00 0.86 H new ATOM 0 HD2 ARG A 30 16.687 10.392 4.775 1.00 1.62 H new ATOM 0 HD3 ARG A 30 15.107 10.933 5.307 1.00 1.62 H new ATOM 0 HE ARG A 30 16.877 12.348 6.988 1.00 2.25 H new ATOM 0 HH11 ARG A 30 16.431 11.814 3.563 1.00 3.11 H new ATOM 0 HH12 ARG A 30 17.075 13.394 3.106 1.00 3.11 H new ATOM 0 HH21 ARG A 30 17.705 14.367 6.404 1.00 3.02 H new ATOM 0 HH22 ARG A 30 17.790 14.827 4.701 1.00 3.02 H new ATOM 470 N SER A 31 20.295 7.844 7.818 1.00 0.02 N ATOM 471 CA SER A 31 21.736 7.877 8.215 1.00 0.02 C ATOM 472 C SER A 31 22.609 7.123 7.208 1.00 0.01 C ATOM 473 O SER A 31 23.814 7.276 7.191 1.00 0.02 O ATOM 474 CB SER A 31 21.887 7.227 9.590 1.00 0.37 C ATOM 475 OG SER A 31 20.894 7.745 10.466 1.00 0.88 O ATOM 0 H SER A 31 19.711 7.195 8.345 1.00 0.02 H new ATOM 0 HA SER A 31 22.062 8.917 8.241 1.00 0.02 H new ATOM 0 HB2 SER A 31 21.786 6.145 9.507 1.00 0.37 H new ATOM 0 HB3 SER A 31 22.881 7.424 9.991 1.00 0.37 H new ATOM 0 HG SER A 31 20.987 7.329 11.348 1.00 0.88 H new ATOM 481 N TYR A 32 22.018 6.291 6.394 1.00 0.01 N ATOM 482 CA TYR A 32 22.817 5.494 5.406 1.00 0.01 C ATOM 483 C TYR A 32 22.604 6.028 3.988 1.00 0.02 C ATOM 484 O TYR A 32 23.383 5.762 3.095 1.00 0.02 O ATOM 485 CB TYR A 32 22.352 4.042 5.474 1.00 0.02 C ATOM 486 CG TYR A 32 22.531 3.527 6.883 1.00 0.02 C ATOM 487 CD1 TYR A 32 23.752 2.961 7.271 1.00 0.01 C ATOM 488 CD2 TYR A 32 21.479 3.617 7.803 1.00 0.01 C ATOM 489 CE1 TYR A 32 23.919 2.485 8.577 1.00 0.02 C ATOM 490 CE2 TYR A 32 21.646 3.141 9.108 1.00 0.00 C ATOM 491 CZ TYR A 32 22.865 2.574 9.495 1.00 0.02 C ATOM 492 OH TYR A 32 23.030 2.103 10.782 1.00 0.02 O ATOM 0 H TYR A 32 21.012 6.125 6.367 1.00 0.01 H new ATOM 0 HA TYR A 32 23.877 5.571 5.649 1.00 0.01 H new ATOM 0 HB2 TYR A 32 21.306 3.969 5.178 1.00 0.02 H new ATOM 0 HB3 TYR A 32 22.924 3.431 4.776 1.00 0.02 H new ATOM 0 HD1 TYR A 32 24.565 2.892 6.563 1.00 0.01 H new ATOM 0 HD2 TYR A 32 20.538 4.054 7.505 1.00 0.01 H new ATOM 0 HE1 TYR A 32 24.861 2.049 8.877 1.00 0.02 H new ATOM 0 HE2 TYR A 32 20.834 3.211 9.817 1.00 0.00 H new ATOM 0 HH TYR A 32 22.203 2.242 11.290 1.00 0.02 H new ATOM 502 N LEU A 33 21.541 6.747 3.757 1.00 0.02 N ATOM 503 CA LEU A 33 21.269 7.258 2.378 1.00 0.02 C ATOM 504 C LEU A 33 20.528 8.599 2.462 1.00 0.02 C ATOM 505 O LEU A 33 19.523 8.728 3.132 1.00 0.02 O ATOM 506 CB LEU A 33 20.365 6.237 1.664 1.00 1.66 C ATOM 507 CG LEU A 33 20.544 6.337 0.134 1.00 2.38 C ATOM 508 CD1 LEU A 33 21.742 5.493 -0.319 1.00 3.32 C ATOM 509 CD2 LEU A 33 19.284 5.822 -0.566 1.00 2.80 C ATOM 0 H LEU A 33 20.848 7.004 4.460 1.00 0.02 H new ATOM 0 HA LEU A 33 22.205 7.396 1.837 1.00 0.02 H new ATOM 0 HB2 LEU A 33 20.608 5.229 2.000 1.00 1.66 H new ATOM 0 HB3 LEU A 33 19.323 6.418 1.927 1.00 1.66 H new ATOM 0 HG LEU A 33 20.717 7.381 -0.128 1.00 2.38 H new ATOM 0 HD11 LEU A 33 21.856 5.573 -1.400 1.00 3.32 H new ATOM 0 HD12 LEU A 33 22.647 5.855 0.169 1.00 3.32 H new ATOM 0 HD13 LEU A 33 21.576 4.450 -0.048 1.00 3.32 H new ATOM 0 HD21 LEU A 33 19.413 5.894 -1.646 1.00 2.80 H new ATOM 0 HD22 LEU A 33 19.113 4.782 -0.289 1.00 2.80 H new ATOM 0 HD23 LEU A 33 18.427 6.424 -0.262 1.00 2.80 H new ATOM 521 N SER A 34 21.044 9.603 1.798 1.00 0.02 N ATOM 522 CA SER A 34 20.410 10.953 1.840 1.00 0.02 C ATOM 523 C SER A 34 19.325 11.094 0.767 1.00 0.00 C ATOM 524 O SER A 34 18.548 12.027 0.784 1.00 0.01 O ATOM 525 CB SER A 34 21.483 12.019 1.608 1.00 0.02 C ATOM 526 OG SER A 34 20.943 13.300 1.902 1.00 0.02 O ATOM 0 H SER A 34 21.885 9.543 1.224 1.00 0.02 H new ATOM 0 HA SER A 34 19.945 11.082 2.818 1.00 0.02 H new ATOM 0 HB2 SER A 34 22.349 11.823 2.240 1.00 0.02 H new ATOM 0 HB3 SER A 34 21.828 11.985 0.575 1.00 0.02 H new ATOM 0 HG SER A 34 19.998 13.324 1.643 1.00 0.02 H new ATOM 532 N ARG A 35 19.258 10.185 -0.172 1.00 0.02 N ATOM 533 CA ARG A 35 18.223 10.274 -1.243 1.00 0.01 C ATOM 534 C ARG A 35 18.263 8.979 -2.062 1.00 0.02 C ATOM 535 O ARG A 35 19.230 8.243 -2.021 1.00 0.02 O ATOM 536 CB ARG A 35 18.520 11.467 -2.153 1.00 0.02 C ATOM 537 CG ARG A 35 19.994 11.445 -2.561 1.00 0.02 C ATOM 538 CD ARG A 35 20.244 12.513 -3.625 1.00 0.02 C ATOM 539 NE ARG A 35 19.790 13.838 -3.114 1.00 0.02 N ATOM 540 CZ ARG A 35 20.164 14.933 -3.718 1.00 0.02 C ATOM 541 NH1 ARG A 35 20.932 14.866 -4.772 1.00 0.00 N ATOM 542 NH2 ARG A 35 19.770 16.094 -3.269 1.00 0.02 N ATOM 0 H ARG A 35 19.881 9.380 -0.242 1.00 0.02 H new ATOM 0 HA ARG A 35 17.237 10.408 -0.799 1.00 0.01 H new ATOM 0 HB2 ARG A 35 17.886 11.428 -3.039 1.00 0.02 H new ATOM 0 HB3 ARG A 35 18.289 12.398 -1.636 1.00 0.02 H new ATOM 0 HG2 ARG A 35 20.626 11.628 -1.692 1.00 0.02 H new ATOM 0 HG3 ARG A 35 20.261 10.461 -2.948 1.00 0.02 H new ATOM 0 HD2 ARG A 35 21.304 12.551 -3.875 1.00 0.02 H new ATOM 0 HD3 ARG A 35 19.709 12.262 -4.541 1.00 0.02 H new ATOM 0 HE ARG A 35 19.187 13.889 -2.293 1.00 0.02 H new ATOM 0 HH11 ARG A 35 21.239 13.959 -5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 35 21.225 15.721 -5.245 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.170 16.146 -2.446 1.00 0.02 H new ATOM 0 HH22 ARG A 35 20.063 16.949 -3.741 1.00 0.02 H new ATOM 556 N CYS A 36 17.226 8.688 -2.806 1.00 0.02 N ATOM 557 CA CYS A 36 17.206 7.437 -3.629 1.00 0.02 C ATOM 558 C CYS A 36 16.480 7.719 -4.951 1.00 0.02 C ATOM 559 O CYS A 36 15.311 8.053 -4.943 1.00 0.02 O ATOM 560 CB CYS A 36 16.459 6.347 -2.853 1.00 0.02 C ATOM 561 SG CYS A 36 15.928 5.034 -3.981 1.00 0.02 S ATOM 0 H CYS A 36 16.388 9.265 -2.880 1.00 0.02 H new ATOM 0 HA CYS A 36 18.223 7.106 -3.838 1.00 0.02 H new ATOM 0 HB2 CYS A 36 17.105 5.933 -2.079 1.00 0.02 H new ATOM 0 HB3 CYS A 36 15.593 6.777 -2.349 1.00 0.02 H new ATOM 0 HG CYS A 36 16.918 4.700 -4.754 1.00 0.02 H new ATOM 567 N ASN A 37 17.144 7.620 -6.087 1.00 0.02 N ATOM 568 CA ASN A 37 16.454 7.925 -7.388 1.00 0.01 C ATOM 569 C ASN A 37 16.220 6.656 -8.223 1.00 0.02 C ATOM 570 O ASN A 37 15.658 6.703 -9.300 1.00 0.02 O ATOM 571 CB ASN A 37 17.304 8.905 -8.202 1.00 0.02 C ATOM 572 CG ASN A 37 17.679 10.103 -7.327 1.00 0.01 C ATOM 573 OD1 ASN A 37 18.177 9.937 -6.231 1.00 0.03 O ATOM 574 ND2 ASN A 37 17.461 11.313 -7.767 1.00 0.02 N ATOM 0 H ASN A 37 18.123 7.344 -6.168 1.00 0.02 H new ATOM 0 HA ASN A 37 15.484 8.362 -7.152 1.00 0.01 H new ATOM 0 HB2 ASN A 37 18.205 8.409 -8.563 1.00 0.02 H new ATOM 0 HB3 ASN A 37 16.751 9.241 -9.079 1.00 0.02 H new ATOM 0 HD21 ASN A 37 17.709 12.117 -7.191 1.00 0.02 H new ATOM 0 HD22 ASN A 37 17.043 11.454 -8.687 1.00 0.02 H new ATOM 581 N SER A 38 16.623 5.517 -7.720 1.00 0.02 N ATOM 582 CA SER A 38 16.405 4.238 -8.461 1.00 0.02 C ATOM 583 C SER A 38 16.412 3.091 -7.450 1.00 0.01 C ATOM 584 O SER A 38 16.988 3.198 -6.384 1.00 0.02 O ATOM 585 CB SER A 38 17.504 4.028 -9.504 1.00 0.01 C ATOM 586 OG SER A 38 17.361 2.738 -10.085 1.00 0.02 O ATOM 0 H SER A 38 17.097 5.418 -6.822 1.00 0.02 H new ATOM 0 HA SER A 38 15.449 4.273 -8.984 1.00 0.02 H new ATOM 0 HB2 SER A 38 17.441 4.796 -10.275 1.00 0.01 H new ATOM 0 HB3 SER A 38 18.485 4.123 -9.039 1.00 0.01 H new ATOM 0 HG SER A 38 16.434 2.612 -10.378 1.00 0.02 H new ATOM 592 N ILE A 39 15.758 1.999 -7.759 1.00 0.02 N ATOM 593 CA ILE A 39 15.708 0.858 -6.787 1.00 0.02 C ATOM 594 C ILE A 39 15.690 -0.487 -7.517 1.00 0.02 C ATOM 595 O ILE A 39 15.099 -0.649 -8.566 1.00 0.02 O ATOM 596 CB ILE A 39 14.423 0.968 -5.959 1.00 0.00 C ATOM 597 CG1 ILE A 39 14.285 2.397 -5.434 1.00 0.01 C ATOM 598 CG2 ILE A 39 14.481 -0.004 -4.778 1.00 0.01 C ATOM 599 CD1 ILE A 39 13.107 2.485 -4.465 1.00 0.00 C ATOM 0 H ILE A 39 15.259 1.846 -8.635 1.00 0.02 H new ATOM 0 HA ILE A 39 16.593 0.908 -6.153 1.00 0.02 H new ATOM 0 HB ILE A 39 13.566 0.719 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.204 2.699 -4.931 1.00 0.01 H new ATOM 0 HG13 ILE A 39 14.135 3.086 -6.265 1.00 0.01 H new ATOM 0 HG21 ILE A 39 13.565 0.079 -4.193 1.00 0.01 H new ATOM 0 HG22 ILE A 39 14.583 -1.023 -5.150 1.00 0.01 H new ATOM 0 HG23 ILE A 39 15.337 0.239 -4.148 1.00 0.01 H new ATOM 0 HD11 ILE A 39 13.015 3.506 -4.095 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.189 2.202 -4.981 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.275 1.809 -3.626 1.00 0.00 H new ATOM 611 N ARG A 40 16.295 -1.480 -6.911 1.00 0.02 N ATOM 612 CA ARG A 40 16.289 -2.858 -7.484 1.00 0.02 C ATOM 613 C ARG A 40 15.686 -3.795 -6.436 1.00 0.01 C ATOM 614 O ARG A 40 16.182 -3.889 -5.331 1.00 0.02 O ATOM 615 CB ARG A 40 17.706 -3.330 -7.819 1.00 0.01 C ATOM 616 CG ARG A 40 17.640 -4.653 -8.585 1.00 0.02 C ATOM 617 CD ARG A 40 19.028 -5.003 -9.126 1.00 0.02 C ATOM 618 NE ARG A 40 19.003 -6.374 -9.712 1.00 0.02 N ATOM 619 CZ ARG A 40 19.968 -6.769 -10.497 1.00 0.02 C ATOM 620 NH1 ARG A 40 20.957 -5.962 -10.768 1.00 0.02 N ATOM 621 NH2 ARG A 40 19.942 -7.969 -11.011 1.00 0.02 N ATOM 0 H ARG A 40 16.800 -1.390 -6.029 1.00 0.02 H new ATOM 0 HA ARG A 40 15.708 -2.861 -8.406 1.00 0.02 H new ATOM 0 HB2 ARG A 40 18.219 -2.577 -8.418 1.00 0.01 H new ATOM 0 HB3 ARG A 40 18.284 -3.457 -6.903 1.00 0.01 H new ATOM 0 HG2 ARG A 40 17.283 -5.447 -7.929 1.00 0.02 H new ATOM 0 HG3 ARG A 40 16.928 -4.574 -9.406 1.00 0.02 H new ATOM 0 HD2 ARG A 40 19.328 -4.278 -9.883 1.00 0.02 H new ATOM 0 HD3 ARG A 40 19.766 -4.952 -8.325 1.00 0.02 H new ATOM 0 HE ARG A 40 18.230 -7.004 -9.499 1.00 0.02 H new ATOM 0 HH11 ARG A 40 20.975 -5.024 -10.367 1.00 0.02 H new ATOM 0 HH12 ARG A 40 21.712 -6.269 -11.381 1.00 0.02 H new ATOM 0 HH21 ARG A 40 19.167 -8.598 -10.799 1.00 0.02 H new ATOM 0 HH22 ARG A 40 20.696 -8.277 -11.624 1.00 0.02 H new ATOM 635 N VAL A 41 14.655 -4.520 -6.777 1.00 0.02 N ATOM 636 CA VAL A 41 14.061 -5.493 -5.809 1.00 0.01 C ATOM 637 C VAL A 41 14.459 -6.884 -6.286 1.00 0.02 C ATOM 638 O VAL A 41 14.074 -7.311 -7.357 1.00 0.02 O ATOM 639 CB VAL A 41 12.544 -5.340 -5.766 1.00 0.01 C ATOM 640 CG1 VAL A 41 11.976 -6.269 -4.691 1.00 0.02 C ATOM 641 CG2 VAL A 41 12.199 -3.893 -5.403 1.00 0.00 C ATOM 0 H VAL A 41 14.195 -4.482 -7.687 1.00 0.02 H new ATOM 0 HA VAL A 41 14.426 -5.317 -4.797 1.00 0.01 H new ATOM 0 HB VAL A 41 12.120 -5.593 -6.738 1.00 0.01 H new ATOM 0 HG11 VAL A 41 10.892 -6.164 -4.655 1.00 0.02 H new ATOM 0 HG12 VAL A 41 12.233 -7.301 -4.929 1.00 0.02 H new ATOM 0 HG13 VAL A 41 12.398 -6.004 -3.721 1.00 0.02 H new ATOM 0 HG21 VAL A 41 11.116 -3.774 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.620 -3.652 -4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 41 12.615 -3.221 -6.153 1.00 0.00 H new ATOM 651 N GLU A 42 15.259 -7.575 -5.514 1.00 0.01 N ATOM 652 CA GLU A 42 15.730 -8.927 -5.934 1.00 0.01 C ATOM 653 C GLU A 42 14.701 -9.989 -5.569 1.00 0.02 C ATOM 654 O GLU A 42 14.534 -10.964 -6.277 1.00 0.01 O ATOM 655 CB GLU A 42 17.060 -9.242 -5.241 1.00 0.99 C ATOM 656 CG GLU A 42 17.960 -8.006 -5.282 1.00 1.86 C ATOM 657 CD GLU A 42 19.390 -8.403 -4.919 1.00 3.10 C ATOM 658 OE1 GLU A 42 19.630 -9.586 -4.738 1.00 3.67 O ATOM 659 OE2 GLU A 42 20.225 -7.518 -4.828 1.00 3.81 O ATOM 0 H GLU A 42 15.606 -7.259 -4.609 1.00 0.01 H new ATOM 0 HA GLU A 42 15.867 -8.931 -7.015 1.00 0.01 H new ATOM 0 HB2 GLU A 42 16.882 -9.542 -4.208 1.00 0.99 H new ATOM 0 HB3 GLU A 42 17.551 -10.080 -5.736 1.00 0.99 H new ATOM 0 HG2 GLU A 42 17.937 -7.559 -6.276 1.00 1.86 H new ATOM 0 HG3 GLU A 42 17.593 -7.253 -4.585 1.00 1.86 H new ATOM 666 N GLY A 43 14.009 -9.832 -4.475 1.00 0.01 N ATOM 667 CA GLY A 43 13.011 -10.865 -4.097 1.00 0.02 C ATOM 668 C GLY A 43 12.040 -10.320 -3.054 1.00 0.02 C ATOM 669 O GLY A 43 12.399 -9.491 -2.238 1.00 0.02 O ATOM 0 H GLY A 43 14.091 -9.042 -3.835 1.00 0.01 H new ATOM 0 HA2 GLY A 43 12.460 -11.187 -4.981 1.00 0.02 H new ATOM 0 HA3 GLY A 43 13.521 -11.744 -3.702 1.00 0.02 H new ATOM 673 N GLY A 44 10.827 -10.805 -3.055 1.00 0.00 N ATOM 674 CA GLY A 44 9.832 -10.335 -2.045 1.00 0.01 C ATOM 675 C GLY A 44 9.142 -9.055 -2.531 1.00 0.01 C ATOM 676 O GLY A 44 9.528 -8.458 -3.518 1.00 0.01 O ATOM 0 H GLY A 44 10.481 -11.506 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.088 -11.112 -1.869 1.00 0.01 H new ATOM 0 HA3 GLY A 44 10.330 -10.149 -1.094 1.00 0.01 H new ATOM 680 N THR A 45 8.140 -8.620 -1.810 1.00 0.01 N ATOM 681 CA THR A 45 7.413 -7.357 -2.167 1.00 0.00 C ATOM 682 C THR A 45 7.587 -6.374 -1.009 1.00 0.01 C ATOM 683 O THR A 45 7.500 -6.759 0.139 1.00 0.01 O ATOM 684 CB THR A 45 5.923 -7.670 -2.362 1.00 0.73 C ATOM 685 OG1 THR A 45 5.758 -8.465 -3.528 1.00 0.88 O ATOM 686 CG2 THR A 45 5.124 -6.372 -2.515 1.00 1.48 C ATOM 0 H THR A 45 7.788 -9.091 -0.977 1.00 0.01 H new ATOM 0 HA THR A 45 7.808 -6.930 -3.089 1.00 0.00 H new ATOM 0 HB THR A 45 5.557 -8.211 -1.489 1.00 0.73 H new ATOM 0 HG1 THR A 45 4.808 -8.668 -3.654 1.00 0.88 H new ATOM 0 HG21 THR A 45 4.069 -6.608 -2.653 1.00 1.48 H new ATOM 0 HG22 THR A 45 5.246 -5.762 -1.620 1.00 1.48 H new ATOM 0 HG23 THR A 45 5.488 -5.821 -3.382 1.00 1.48 H new ATOM 694 N TRP A 46 7.910 -5.128 -1.281 1.00 0.02 N ATOM 695 CA TRP A 46 8.168 -4.156 -0.162 1.00 0.01 C ATOM 696 C TRP A 46 7.322 -2.890 -0.288 1.00 0.01 C ATOM 697 O TRP A 46 6.942 -2.461 -1.359 1.00 0.01 O ATOM 698 CB TRP A 46 9.644 -3.759 -0.194 1.00 0.00 C ATOM 699 CG TRP A 46 10.487 -4.961 0.092 1.00 0.01 C ATOM 700 CD1 TRP A 46 10.655 -6.011 -0.747 1.00 0.01 C ATOM 701 CD2 TRP A 46 11.277 -5.256 1.278 1.00 0.01 C ATOM 702 NE1 TRP A 46 11.497 -6.930 -0.148 1.00 0.00 N ATOM 703 CE2 TRP A 46 11.907 -6.510 1.102 1.00 0.01 C ATOM 704 CE3 TRP A 46 11.505 -4.562 2.481 1.00 0.01 C ATOM 705 CZ2 TRP A 46 12.734 -7.056 2.082 1.00 0.01 C ATOM 706 CZ3 TRP A 46 12.337 -5.110 3.470 1.00 0.02 C ATOM 707 CH2 TRP A 46 12.950 -6.353 3.271 1.00 0.01 C ATOM 0 H TRP A 46 8.006 -4.743 -2.221 1.00 0.02 H new ATOM 0 HA TRP A 46 7.902 -4.645 0.775 1.00 0.01 H new ATOM 0 HB2 TRP A 46 9.900 -3.345 -1.169 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.839 -2.980 0.544 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.205 -6.114 -1.723 1.00 0.01 H new ATOM 0 HE1 TRP A 46 11.781 -7.811 -0.577 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.037 -3.602 2.644 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 13.205 -8.015 1.924 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 12.505 -4.570 4.390 1.00 0.02 H new ATOM 0 HH2 TRP A 46 13.589 -6.769 4.036 1.00 0.01 H new ATOM 718 N ALA A 47 7.094 -2.263 0.836 1.00 0.01 N ATOM 719 CA ALA A 47 6.347 -0.974 0.879 1.00 0.01 C ATOM 720 C ALA A 47 7.383 0.092 1.230 1.00 0.01 C ATOM 721 O ALA A 47 8.169 -0.079 2.140 1.00 0.01 O ATOM 722 CB ALA A 47 5.259 -1.032 1.956 1.00 0.24 C ATOM 0 H ALA A 47 7.403 -2.600 1.748 1.00 0.01 H new ATOM 0 HA ALA A 47 5.855 -0.759 -0.069 1.00 0.01 H new ATOM 0 HB1 ALA A 47 4.719 -0.085 1.979 1.00 0.24 H new ATOM 0 HB2 ALA A 47 4.564 -1.840 1.728 1.00 0.24 H new ATOM 0 HB3 ALA A 47 5.718 -1.212 2.928 1.00 0.24 H new ATOM 728 N VAL A 48 7.376 1.200 0.531 1.00 0.01 N ATOM 729 CA VAL A 48 8.349 2.299 0.836 1.00 0.02 C ATOM 730 C VAL A 48 7.584 3.537 1.294 1.00 0.01 C ATOM 731 O VAL A 48 6.524 3.841 0.777 1.00 0.01 O ATOM 732 CB VAL A 48 9.171 2.636 -0.409 1.00 0.09 C ATOM 733 CG1 VAL A 48 9.955 1.402 -0.853 1.00 0.48 C ATOM 734 CG2 VAL A 48 8.230 3.076 -1.535 1.00 0.65 C ATOM 0 H VAL A 48 6.737 1.393 -0.240 1.00 0.01 H new ATOM 0 HA VAL A 48 9.024 1.970 1.626 1.00 0.02 H new ATOM 0 HB VAL A 48 9.867 3.443 -0.179 1.00 0.09 H new ATOM 0 HG11 VAL A 48 10.541 1.643 -1.740 1.00 0.48 H new ATOM 0 HG12 VAL A 48 10.623 1.088 -0.051 1.00 0.48 H new ATOM 0 HG13 VAL A 48 9.261 0.594 -1.085 1.00 0.48 H new ATOM 0 HG21 VAL A 48 8.814 3.317 -2.424 1.00 0.65 H new ATOM 0 HG22 VAL A 48 7.535 2.268 -1.765 1.00 0.65 H new ATOM 0 HG23 VAL A 48 7.671 3.956 -1.219 1.00 0.65 H new ATOM 744 N TYR A 49 8.109 4.253 2.262 1.00 0.01 N ATOM 745 CA TYR A 49 7.415 5.478 2.770 1.00 0.01 C ATOM 746 C TYR A 49 8.323 6.693 2.586 1.00 0.01 C ATOM 747 O TYR A 49 9.535 6.622 2.706 1.00 0.02 O ATOM 748 CB TYR A 49 7.086 5.296 4.251 1.00 0.01 C ATOM 749 CG TYR A 49 6.053 4.205 4.402 1.00 0.00 C ATOM 750 CD1 TYR A 49 6.433 2.862 4.279 1.00 0.01 C ATOM 751 CD2 TYR A 49 4.717 4.532 4.665 1.00 0.01 C ATOM 752 CE1 TYR A 49 5.476 1.850 4.419 1.00 0.01 C ATOM 753 CE2 TYR A 49 3.763 3.519 4.805 1.00 0.01 C ATOM 754 CZ TYR A 49 4.142 2.178 4.682 1.00 0.02 C ATOM 755 OH TYR A 49 3.199 1.180 4.820 1.00 0.01 O ATOM 0 H TYR A 49 8.993 4.039 2.723 1.00 0.01 H new ATOM 0 HA TYR A 49 6.492 5.634 2.212 1.00 0.01 H new ATOM 0 HB2 TYR A 49 7.988 5.038 4.807 1.00 0.01 H new ATOM 0 HB3 TYR A 49 6.710 6.230 4.669 1.00 0.01 H new ATOM 0 HD1 TYR A 49 7.463 2.608 4.076 1.00 0.01 H new ATOM 0 HD2 TYR A 49 4.423 5.567 4.760 1.00 0.01 H new ATOM 0 HE1 TYR A 49 5.768 0.815 4.324 1.00 0.01 H new ATOM 0 HE2 TYR A 49 2.733 3.772 5.008 1.00 0.01 H new ATOM 0 HH TYR A 49 2.323 1.580 5.001 1.00 0.01 H new ATOM 765 N GLU A 50 7.718 7.803 2.255 1.00 0.01 N ATOM 766 CA GLU A 50 8.478 9.058 1.989 1.00 0.01 C ATOM 767 C GLU A 50 9.182 9.573 3.246 1.00 0.01 C ATOM 768 O GLU A 50 10.243 10.157 3.153 1.00 0.02 O ATOM 769 CB GLU A 50 7.493 10.120 1.499 1.00 0.02 C ATOM 770 CG GLU A 50 8.264 11.324 0.954 1.00 0.01 C ATOM 771 CD GLU A 50 7.282 12.445 0.608 1.00 0.02 C ATOM 772 OE1 GLU A 50 6.806 12.462 -0.514 1.00 0.01 O ATOM 773 OE2 GLU A 50 7.024 13.267 1.471 1.00 0.02 O ATOM 0 H GLU A 50 6.707 7.893 2.156 1.00 0.01 H new ATOM 0 HA GLU A 50 9.242 8.849 1.240 1.00 0.01 H new ATOM 0 HB2 GLU A 50 6.852 9.704 0.722 1.00 0.02 H new ATOM 0 HB3 GLU A 50 6.843 10.432 2.316 1.00 0.02 H new ATOM 0 HG2 GLU A 50 8.985 11.673 1.694 1.00 0.01 H new ATOM 0 HG3 GLU A 50 8.830 11.036 0.068 1.00 0.01 H new ATOM 780 N ARG A 51 8.603 9.398 4.414 1.00 0.02 N ATOM 781 CA ARG A 51 9.255 9.923 5.663 1.00 0.02 C ATOM 782 C ARG A 51 9.430 8.768 6.672 1.00 0.01 C ATOM 783 O ARG A 51 8.736 7.769 6.595 1.00 0.02 O ATOM 784 CB ARG A 51 8.331 11.010 6.261 1.00 0.02 C ATOM 785 CG ARG A 51 8.777 12.402 5.796 1.00 0.01 C ATOM 786 CD ARG A 51 7.834 13.458 6.375 1.00 0.02 C ATOM 787 NE ARG A 51 6.500 13.342 5.721 1.00 0.02 N ATOM 788 CZ ARG A 51 5.459 13.922 6.254 1.00 0.02 C ATOM 789 NH1 ARG A 51 5.584 14.598 7.362 1.00 0.02 N ATOM 790 NH2 ARG A 51 4.292 13.822 5.678 1.00 0.01 N ATOM 0 H ARG A 51 7.714 8.918 4.557 1.00 0.02 H new ATOM 0 HA ARG A 51 10.235 10.345 5.439 1.00 0.02 H new ATOM 0 HB2 ARG A 51 7.301 10.830 5.955 1.00 0.02 H new ATOM 0 HB3 ARG A 51 8.354 10.958 7.350 1.00 0.02 H new ATOM 0 HG2 ARG A 51 9.800 12.595 6.120 1.00 0.01 H new ATOM 0 HG3 ARG A 51 8.773 12.452 4.707 1.00 0.01 H new ATOM 0 HD2 ARG A 51 7.736 13.323 7.452 1.00 0.02 H new ATOM 0 HD3 ARG A 51 8.244 14.455 6.215 1.00 0.02 H new ATOM 0 HE ARG A 51 6.400 12.809 4.857 1.00 0.02 H new ATOM 0 HH11 ARG A 51 6.496 14.674 7.813 1.00 0.02 H new ATOM 0 HH12 ARG A 51 4.770 15.051 7.778 1.00 0.02 H new ATOM 0 HH21 ARG A 51 4.194 13.291 4.813 1.00 0.01 H new ATOM 0 HH22 ARG A 51 3.478 14.275 6.093 1.00 0.01 H new ATOM 804 N PRO A 52 10.355 8.908 7.614 1.00 0.02 N ATOM 805 CA PRO A 52 10.606 7.844 8.630 1.00 0.02 C ATOM 806 C PRO A 52 9.333 7.425 9.371 1.00 0.01 C ATOM 807 O PRO A 52 8.312 8.083 9.330 1.00 0.02 O ATOM 808 CB PRO A 52 11.625 8.512 9.584 1.00 0.02 C ATOM 809 CG PRO A 52 11.843 9.966 9.123 1.00 0.01 C ATOM 810 CD PRO A 52 11.213 10.126 7.732 1.00 0.01 C ATOM 0 HA PRO A 52 10.969 6.918 8.184 1.00 0.02 H new ATOM 0 HB2 PRO A 52 11.255 8.491 10.609 1.00 0.02 H new ATOM 0 HB3 PRO A 52 12.568 7.966 9.574 1.00 0.02 H new ATOM 0 HG2 PRO A 52 11.388 10.661 9.829 1.00 0.01 H new ATOM 0 HG3 PRO A 52 12.907 10.198 9.088 1.00 0.01 H new ATOM 0 HD2 PRO A 52 10.627 11.042 7.656 1.00 0.01 H new ATOM 0 HD3 PRO A 52 11.969 10.166 6.948 1.00 0.01 H new ATOM 818 N ASN A 53 9.433 6.331 10.073 1.00 0.02 N ATOM 819 CA ASN A 53 8.290 5.819 10.876 1.00 0.02 C ATOM 820 C ASN A 53 7.108 5.458 9.978 1.00 0.01 C ATOM 821 O ASN A 53 5.959 5.624 10.337 1.00 0.01 O ATOM 822 CB ASN A 53 7.870 6.888 11.891 1.00 0.01 C ATOM 823 CG ASN A 53 7.032 6.248 13.001 1.00 0.02 C ATOM 824 OD1 ASN A 53 7.201 5.086 13.312 1.00 0.02 O ATOM 825 ND2 ASN A 53 6.129 6.963 13.613 1.00 0.01 N ATOM 0 H ASN A 53 10.276 5.760 10.124 1.00 0.02 H new ATOM 0 HA ASN A 53 8.604 4.915 11.398 1.00 0.02 H new ATOM 0 HB2 ASN A 53 8.753 7.364 12.318 1.00 0.01 H new ATOM 0 HB3 ASN A 53 7.295 7.669 11.393 1.00 0.01 H new ATOM 0 HD21 ASN A 53 5.564 6.546 14.353 1.00 0.01 H new ATOM 0 HD22 ASN A 53 5.988 7.939 13.351 1.00 0.01 H new ATOM 832 N PHE A 54 7.397 4.935 8.816 1.00 0.02 N ATOM 833 CA PHE A 54 6.320 4.519 7.877 1.00 0.01 C ATOM 834 C PHE A 54 5.237 5.596 7.784 1.00 0.01 C ATOM 835 O PHE A 54 4.060 5.334 7.938 1.00 0.02 O ATOM 836 CB PHE A 54 5.714 3.200 8.374 1.00 1.78 C ATOM 837 CG PHE A 54 6.812 2.336 8.956 1.00 2.32 C ATOM 838 CD1 PHE A 54 7.924 2.002 8.174 1.00 2.53 C ATOM 839 CD2 PHE A 54 6.721 1.875 10.277 1.00 2.77 C ATOM 840 CE1 PHE A 54 8.944 1.205 8.710 1.00 3.03 C ATOM 841 CE2 PHE A 54 7.742 1.080 10.812 1.00 3.32 C ATOM 842 CZ PHE A 54 8.853 0.745 10.030 1.00 3.39 C ATOM 0 H PHE A 54 8.346 4.777 8.476 1.00 0.02 H new ATOM 0 HA PHE A 54 6.742 4.381 6.881 1.00 0.01 H new ATOM 0 HB2 PHE A 54 4.952 3.397 9.128 1.00 1.78 H new ATOM 0 HB3 PHE A 54 5.222 2.679 7.552 1.00 1.78 H new ATOM 0 HD1 PHE A 54 7.996 2.359 7.157 1.00 2.53 H new ATOM 0 HD2 PHE A 54 5.864 2.133 10.881 1.00 2.77 H new ATOM 0 HE1 PHE A 54 9.800 0.945 8.105 1.00 3.03 H new ATOM 0 HE2 PHE A 54 7.672 0.725 11.830 1.00 3.32 H new ATOM 0 HZ PHE A 54 9.640 0.132 10.444 1.00 3.39 H new ATOM 852 N SER A 55 5.653 6.814 7.529 1.00 0.02 N ATOM 853 CA SER A 55 4.682 7.952 7.415 1.00 0.02 C ATOM 854 C SER A 55 4.872 8.664 6.073 1.00 0.01 C ATOM 855 O SER A 55 5.873 8.492 5.404 1.00 0.01 O ATOM 856 CB SER A 55 4.934 8.943 8.550 1.00 1.90 C ATOM 857 OG SER A 55 4.954 8.244 9.787 1.00 2.33 O ATOM 0 H SER A 55 6.631 7.071 7.394 1.00 0.02 H new ATOM 0 HA SER A 55 3.665 7.566 7.478 1.00 0.02 H new ATOM 0 HB2 SER A 55 5.882 9.458 8.395 1.00 1.90 H new ATOM 0 HB3 SER A 55 4.155 9.705 8.562 1.00 1.90 H new ATOM 0 HG SER A 55 5.376 7.369 9.661 1.00 2.33 H new ATOM 863 N GLY A 56 3.909 9.450 5.664 1.00 0.02 N ATOM 864 CA GLY A 56 4.015 10.162 4.356 1.00 0.02 C ATOM 865 C GLY A 56 3.458 9.274 3.237 1.00 0.02 C ATOM 866 O GLY A 56 2.709 8.350 3.487 1.00 0.00 O ATOM 0 H GLY A 56 3.050 9.630 6.183 1.00 0.02 H new ATOM 0 HA2 GLY A 56 3.463 11.101 4.397 1.00 0.02 H new ATOM 0 HA3 GLY A 56 5.056 10.412 4.151 1.00 0.02 H new ATOM 870 N HIS A 57 3.793 9.551 2.006 1.00 0.02 N ATOM 871 CA HIS A 57 3.251 8.728 0.882 1.00 0.02 C ATOM 872 C HIS A 57 3.779 7.293 0.973 1.00 0.01 C ATOM 873 O HIS A 57 4.938 7.072 1.256 1.00 0.01 O ATOM 874 CB HIS A 57 3.676 9.347 -0.452 1.00 0.00 C ATOM 875 CG HIS A 57 3.529 10.840 -0.380 1.00 0.01 C ATOM 876 ND1 HIS A 57 4.514 11.653 0.157 1.00 0.01 N ATOM 877 CD2 HIS A 57 2.518 11.681 -0.771 1.00 0.01 C ATOM 878 CE1 HIS A 57 4.077 12.924 0.076 1.00 0.02 C ATOM 879 NE2 HIS A 57 2.867 12.997 -0.482 1.00 0.01 N ATOM 0 H HIS A 57 4.417 10.309 1.728 1.00 0.02 H new ATOM 0 HA HIS A 57 2.163 8.708 0.948 1.00 0.02 H new ATOM 0 HB2 HIS A 57 4.710 9.083 -0.675 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.064 8.949 -1.261 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.593 11.369 -1.233 1.00 0.01 H new ATOM 0 HE1 HIS A 57 4.638 13.780 0.421 1.00 0.02 H new ATOM 0 HE2 HIS A 57 2.316 13.837 -0.659 1.00 0.01 H new ATOM 887 N MET A 58 2.928 6.319 0.724 1.00 0.02 N ATOM 888 CA MET A 58 3.358 4.881 0.781 1.00 0.02 C ATOM 889 C MET A 58 3.150 4.229 -0.593 1.00 0.01 C ATOM 890 O MET A 58 2.145 4.439 -1.244 1.00 0.01 O ATOM 891 CB MET A 58 2.514 4.145 1.823 1.00 2.61 C ATOM 892 CG MET A 58 1.052 4.117 1.373 1.00 3.46 C ATOM 893 SD MET A 58 0.001 3.624 2.761 1.00 4.50 S ATOM 894 CE MET A 58 0.104 1.836 2.500 1.00 5.01 C ATOM 0 H MET A 58 1.947 6.461 0.482 1.00 0.02 H new ATOM 0 HA MET A 58 4.412 4.825 1.054 1.00 0.02 H new ATOM 0 HB2 MET A 58 2.884 3.128 1.953 1.00 2.61 H new ATOM 0 HB3 MET A 58 2.598 4.641 2.790 1.00 2.61 H new ATOM 0 HG2 MET A 58 0.754 5.100 1.009 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.929 3.419 0.544 1.00 3.46 H new ATOM 0 HE1 MET A 58 -0.484 1.323 3.261 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.286 1.589 1.512 1.00 5.01 H new ATOM 0 HE3 MET A 58 1.144 1.517 2.570 1.00 5.01 H new ATOM 904 N TYR A 59 4.101 3.446 -1.038 1.00 0.02 N ATOM 905 CA TYR A 59 3.990 2.772 -2.376 1.00 0.01 C ATOM 906 C TYR A 59 4.403 1.300 -2.257 1.00 0.01 C ATOM 907 O TYR A 59 5.347 0.960 -1.575 1.00 0.02 O ATOM 908 CB TYR A 59 4.921 3.461 -3.369 1.00 0.01 C ATOM 909 CG TYR A 59 4.363 4.819 -3.714 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.424 4.948 -4.743 1.00 0.01 C ATOM 911 CD2 TYR A 59 4.780 5.948 -2.999 1.00 0.01 C ATOM 912 CE1 TYR A 59 2.902 6.207 -5.060 1.00 0.02 C ATOM 913 CE2 TYR A 59 4.260 7.208 -3.317 1.00 0.01 C ATOM 914 CZ TYR A 59 3.321 7.337 -4.347 1.00 0.01 C ATOM 915 OH TYR A 59 2.804 8.577 -4.657 1.00 0.01 O ATOM 0 H TYR A 59 4.960 3.241 -0.528 1.00 0.02 H new ATOM 0 HA TYR A 59 2.958 2.837 -2.720 1.00 0.01 H new ATOM 0 HB2 TYR A 59 5.918 3.563 -2.940 1.00 0.01 H new ATOM 0 HB3 TYR A 59 5.022 2.857 -4.270 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.102 4.076 -5.293 1.00 0.01 H new ATOM 0 HD2 TYR A 59 5.502 5.847 -2.203 1.00 0.01 H new ATOM 0 HE1 TYR A 59 2.177 6.307 -5.854 1.00 0.02 H new ATOM 0 HE2 TYR A 59 4.583 8.080 -2.768 1.00 0.01 H new ATOM 0 HH TYR A 59 3.046 9.217 -3.955 1.00 0.01 H new ATOM 925 N ILE A 60 3.695 0.429 -2.940 1.00 0.02 N ATOM 926 CA ILE A 60 4.022 -1.033 -2.909 1.00 0.01 C ATOM 927 C ILE A 60 4.926 -1.365 -4.105 1.00 0.01 C ATOM 928 O ILE A 60 4.645 -0.976 -5.222 1.00 0.01 O ATOM 929 CB ILE A 60 2.724 -1.847 -3.018 1.00 0.45 C ATOM 930 CG1 ILE A 60 1.634 -1.239 -2.116 1.00 1.35 C ATOM 931 CG2 ILE A 60 2.988 -3.297 -2.607 1.00 1.21 C ATOM 932 CD1 ILE A 60 2.075 -1.240 -0.647 1.00 1.72 C ATOM 0 H ILE A 60 2.895 0.673 -3.524 1.00 0.02 H new ATOM 0 HA ILE A 60 4.530 -1.279 -1.977 1.00 0.01 H new ATOM 0 HB ILE A 60 2.378 -1.821 -4.051 1.00 0.45 H new ATOM 0 HG12 ILE A 60 1.420 -0.219 -2.435 1.00 1.35 H new ATOM 0 HG13 ILE A 60 0.710 -1.807 -2.223 1.00 1.35 H new ATOM 0 HG21 ILE A 60 2.065 -3.871 -2.686 1.00 1.21 H new ATOM 0 HG22 ILE A 60 3.742 -3.730 -3.264 1.00 1.21 H new ATOM 0 HG23 ILE A 60 3.346 -3.324 -1.578 1.00 1.21 H new ATOM 0 HD11 ILE A 60 1.288 -0.806 -0.031 1.00 1.72 H new ATOM 0 HD12 ILE A 60 2.265 -2.264 -0.325 1.00 1.72 H new ATOM 0 HD13 ILE A 60 2.986 -0.651 -0.540 1.00 1.72 H new ATOM 944 N LEU A 61 6.023 -2.055 -3.876 1.00 0.01 N ATOM 945 CA LEU A 61 6.971 -2.385 -4.997 1.00 0.01 C ATOM 946 C LEU A 61 7.146 -3.925 -5.134 1.00 0.01 C ATOM 947 O LEU A 61 7.764 -4.540 -4.286 1.00 0.00 O ATOM 948 CB LEU A 61 8.346 -1.737 -4.666 1.00 0.01 C ATOM 949 CG LEU A 61 8.708 -0.650 -5.693 1.00 0.02 C ATOM 950 CD1 LEU A 61 9.857 0.200 -5.152 1.00 0.01 C ATOM 951 CD2 LEU A 61 9.147 -1.301 -7.008 1.00 0.01 C ATOM 0 H LEU A 61 6.304 -2.405 -2.960 1.00 0.01 H new ATOM 0 HA LEU A 61 6.575 -2.002 -5.938 1.00 0.01 H new ATOM 0 HB2 LEU A 61 8.315 -1.302 -3.667 1.00 0.01 H new ATOM 0 HB3 LEU A 61 9.120 -2.504 -4.656 1.00 0.01 H new ATOM 0 HG LEU A 61 7.834 -0.024 -5.870 1.00 0.02 H new ATOM 0 HD11 LEU A 61 10.114 0.970 -5.879 1.00 0.01 H new ATOM 0 HD12 LEU A 61 9.553 0.671 -4.217 1.00 0.01 H new ATOM 0 HD13 LEU A 61 10.726 -0.434 -4.973 1.00 0.01 H new ATOM 0 HD21 LEU A 61 9.402 -0.526 -7.731 1.00 0.01 H new ATOM 0 HD22 LEU A 61 10.018 -1.931 -6.829 1.00 0.01 H new ATOM 0 HD23 LEU A 61 8.334 -1.911 -7.402 1.00 0.01 H new ATOM 963 N PRO A 62 6.654 -4.554 -6.196 1.00 0.02 N ATOM 964 CA PRO A 62 6.859 -6.022 -6.369 1.00 0.01 C ATOM 965 C PRO A 62 8.287 -6.310 -6.869 1.00 0.00 C ATOM 966 O PRO A 62 9.014 -5.409 -7.237 1.00 0.02 O ATOM 967 CB PRO A 62 5.806 -6.379 -7.430 1.00 1.47 C ATOM 968 CG PRO A 62 5.392 -5.076 -8.137 1.00 1.29 C ATOM 969 CD PRO A 62 5.862 -3.888 -7.273 1.00 0.82 C ATOM 0 HA PRO A 62 6.752 -6.599 -5.450 1.00 0.01 H new ATOM 0 HB2 PRO A 62 6.213 -7.091 -8.148 1.00 1.47 H new ATOM 0 HB3 PRO A 62 4.941 -6.853 -6.966 1.00 1.47 H new ATOM 0 HG2 PRO A 62 5.839 -5.024 -9.130 1.00 1.29 H new ATOM 0 HG3 PRO A 62 4.311 -5.044 -8.272 1.00 1.29 H new ATOM 0 HD2 PRO A 62 6.468 -3.186 -7.846 1.00 0.82 H new ATOM 0 HD3 PRO A 62 5.021 -3.325 -6.867 1.00 0.82 H new ATOM 977 N GLN A 63 8.695 -7.550 -6.878 1.00 0.02 N ATOM 978 CA GLN A 63 10.076 -7.883 -7.346 1.00 0.00 C ATOM 979 C GLN A 63 10.327 -7.289 -8.738 1.00 0.00 C ATOM 980 O GLN A 63 9.454 -7.280 -9.581 1.00 0.02 O ATOM 981 CB GLN A 63 10.227 -9.406 -7.415 1.00 1.27 C ATOM 982 CG GLN A 63 9.021 -10.011 -8.141 1.00 1.67 C ATOM 983 CD GLN A 63 9.216 -11.520 -8.294 1.00 2.43 C ATOM 984 OE1 GLN A 63 9.691 -12.177 -7.389 1.00 4.25 O ATOM 985 NE2 GLN A 63 8.868 -12.101 -9.409 1.00 3.04 N ATOM 0 H GLN A 63 8.134 -8.349 -6.582 1.00 0.02 H new ATOM 0 HA GLN A 63 10.799 -7.463 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.147 -9.667 -7.938 1.00 1.27 H new ATOM 0 HB3 GLN A 63 10.304 -9.820 -6.409 1.00 1.27 H new ATOM 0 HG2 GLN A 63 8.108 -9.807 -7.582 1.00 1.67 H new ATOM 0 HG3 GLN A 63 8.904 -9.548 -9.121 1.00 1.67 H new ATOM 0 HE21 GLN A 63 8.469 -11.549 -10.169 1.00 3.04 H new ATOM 0 HE22 GLN A 63 8.995 -13.107 -9.521 1.00 3.04 H new ATOM 994 N GLY A 64 11.516 -6.794 -8.994 1.00 0.02 N ATOM 995 CA GLY A 64 11.796 -6.216 -10.346 1.00 0.01 C ATOM 996 C GLY A 64 12.910 -5.161 -10.274 1.00 0.02 C ATOM 997 O GLY A 64 13.486 -4.910 -9.235 1.00 0.02 O ATOM 0 H GLY A 64 12.294 -6.765 -8.335 1.00 0.02 H new ATOM 0 HA2 GLY A 64 12.087 -7.011 -11.032 1.00 0.01 H new ATOM 0 HA3 GLY A 64 10.889 -5.765 -10.748 1.00 0.01 H new ATOM 1001 N GLU A 65 13.217 -4.548 -11.392 1.00 0.02 N ATOM 1002 CA GLU A 65 14.295 -3.505 -11.434 1.00 0.02 C ATOM 1003 C GLU A 65 13.704 -2.168 -11.891 1.00 0.02 C ATOM 1004 O GLU A 65 13.005 -2.086 -12.881 1.00 0.02 O ATOM 1005 CB GLU A 65 15.365 -3.944 -12.436 1.00 0.77 C ATOM 1006 CG GLU A 65 16.602 -3.054 -12.288 1.00 0.49 C ATOM 1007 CD GLU A 65 17.508 -3.230 -13.510 1.00 0.67 C ATOM 1008 OE1 GLU A 65 17.016 -3.072 -14.615 1.00 0.71 O ATOM 1009 OE2 GLU A 65 18.677 -3.524 -13.320 1.00 0.96 O ATOM 0 H GLU A 65 12.763 -4.727 -12.288 1.00 0.02 H new ATOM 0 HA GLU A 65 14.730 -3.388 -10.441 1.00 0.02 H new ATOM 0 HB2 GLU A 65 15.632 -4.987 -12.265 1.00 0.77 H new ATOM 0 HB3 GLU A 65 14.976 -3.877 -13.452 1.00 0.77 H new ATOM 0 HG2 GLU A 65 16.303 -2.010 -12.191 1.00 0.49 H new ATOM 0 HG3 GLU A 65 17.144 -3.315 -11.379 1.00 0.49 H new ATOM 1016 N TYR A 66 14.005 -1.116 -11.168 1.00 0.02 N ATOM 1017 CA TYR A 66 13.503 0.244 -11.523 1.00 0.02 C ATOM 1018 C TYR A 66 14.727 1.166 -11.708 1.00 0.02 C ATOM 1019 O TYR A 66 15.252 1.679 -10.736 1.00 0.02 O ATOM 1020 CB TYR A 66 12.650 0.752 -10.361 1.00 0.01 C ATOM 1021 CG TYR A 66 11.472 -0.178 -10.182 1.00 0.02 C ATOM 1022 CD1 TYR A 66 11.650 -1.420 -9.558 1.00 0.02 C ATOM 1023 CD2 TYR A 66 10.208 0.194 -10.651 1.00 0.01 C ATOM 1024 CE1 TYR A 66 10.562 -2.287 -9.403 1.00 0.02 C ATOM 1025 CE2 TYR A 66 9.121 -0.674 -10.498 1.00 0.02 C ATOM 1026 CZ TYR A 66 9.298 -1.915 -9.875 1.00 0.02 C ATOM 1027 OH TYR A 66 8.227 -2.770 -9.724 1.00 0.01 O ATOM 0 H TYR A 66 14.588 -1.146 -10.332 1.00 0.02 H new ATOM 0 HA TYR A 66 12.909 0.225 -12.437 1.00 0.02 H new ATOM 0 HB2 TYR A 66 13.242 0.792 -9.447 1.00 0.01 H new ATOM 0 HB3 TYR A 66 12.304 1.766 -10.561 1.00 0.01 H new ATOM 0 HD1 TYR A 66 12.626 -1.708 -9.197 1.00 0.02 H new ATOM 0 HD2 TYR A 66 10.071 1.151 -11.131 1.00 0.01 H new ATOM 0 HE1 TYR A 66 10.698 -3.243 -8.919 1.00 0.02 H new ATOM 0 HE2 TYR A 66 8.145 -0.386 -10.861 1.00 0.02 H new ATOM 0 HH TYR A 66 7.423 -2.358 -10.105 1.00 0.01 H new ATOM 1037 N PRO A 67 15.201 1.365 -12.928 1.00 0.01 N ATOM 1038 CA PRO A 67 16.399 2.226 -13.152 1.00 0.02 C ATOM 1039 C PRO A 67 16.155 3.717 -12.870 1.00 0.02 C ATOM 1040 O PRO A 67 17.072 4.509 -12.935 1.00 0.02 O ATOM 1041 CB PRO A 67 16.728 1.981 -14.643 1.00 0.02 C ATOM 1042 CG PRO A 67 15.631 1.077 -15.247 1.00 0.02 C ATOM 1043 CD PRO A 67 14.599 0.754 -14.148 1.00 0.01 C ATOM 0 HA PRO A 67 17.210 1.972 -12.469 1.00 0.02 H new ATOM 0 HB2 PRO A 67 16.776 2.928 -15.180 1.00 0.02 H new ATOM 0 HB3 PRO A 67 17.705 1.508 -14.742 1.00 0.02 H new ATOM 0 HG2 PRO A 67 15.147 1.578 -16.085 1.00 0.02 H new ATOM 0 HG3 PRO A 67 16.070 0.158 -15.636 1.00 0.02 H new ATOM 0 HD2 PRO A 67 13.623 1.183 -14.374 1.00 0.01 H new ATOM 0 HD3 PRO A 67 14.456 -0.320 -14.032 1.00 0.01 H new ATOM 1051 N GLU A 68 14.957 4.115 -12.539 1.00 0.01 N ATOM 1052 CA GLU A 68 14.719 5.557 -12.244 1.00 0.01 C ATOM 1053 C GLU A 68 13.469 5.663 -11.371 1.00 0.03 C ATOM 1054 O GLU A 68 12.616 4.799 -11.363 1.00 0.02 O ATOM 1055 CB GLU A 68 14.492 6.335 -13.545 1.00 0.69 C ATOM 1056 CG GLU A 68 15.797 6.427 -14.339 1.00 1.09 C ATOM 1057 CD GLU A 68 15.659 7.491 -15.429 1.00 1.35 C ATOM 1058 OE1 GLU A 68 14.604 8.099 -15.506 1.00 2.02 O ATOM 1059 OE2 GLU A 68 16.610 7.681 -16.168 1.00 1.55 O ATOM 0 H GLU A 68 14.139 3.511 -12.460 1.00 0.01 H new ATOM 0 HA GLU A 68 15.586 5.976 -11.733 1.00 0.01 H new ATOM 0 HB2 GLU A 68 13.727 5.841 -14.144 1.00 0.69 H new ATOM 0 HB3 GLU A 68 14.123 7.336 -13.320 1.00 0.69 H new ATOM 0 HG2 GLU A 68 16.623 6.678 -13.673 1.00 1.09 H new ATOM 0 HG3 GLU A 68 16.031 5.461 -14.787 1.00 1.09 H new ATOM 1066 N TYR A 69 13.385 6.709 -10.601 1.00 0.02 N ATOM 1067 CA TYR A 69 12.231 6.865 -9.673 1.00 0.02 C ATOM 1068 C TYR A 69 10.895 6.896 -10.419 1.00 0.01 C ATOM 1069 O TYR A 69 9.910 6.346 -9.966 1.00 0.01 O ATOM 1070 CB TYR A 69 12.417 8.135 -8.837 1.00 0.02 C ATOM 1071 CG TYR A 69 12.422 9.348 -9.740 1.00 0.02 C ATOM 1072 CD1 TYR A 69 13.586 9.702 -10.435 1.00 0.02 C ATOM 1073 CD2 TYR A 69 11.262 10.119 -9.882 1.00 0.02 C ATOM 1074 CE1 TYR A 69 13.590 10.826 -11.270 1.00 0.02 C ATOM 1075 CE2 TYR A 69 11.265 11.242 -10.717 1.00 0.02 C ATOM 1076 CZ TYR A 69 12.428 11.595 -11.411 1.00 0.02 C ATOM 1077 OH TYR A 69 12.432 12.702 -12.235 1.00 0.01 O ATOM 0 H TYR A 69 14.068 7.466 -10.573 1.00 0.02 H new ATOM 0 HA TYR A 69 12.204 5.997 -9.014 1.00 0.02 H new ATOM 0 HB2 TYR A 69 11.615 8.219 -8.104 1.00 0.02 H new ATOM 0 HB3 TYR A 69 13.353 8.081 -8.280 1.00 0.02 H new ATOM 0 HD1 TYR A 69 14.481 9.107 -10.327 1.00 0.02 H new ATOM 0 HD2 TYR A 69 10.364 9.847 -9.347 1.00 0.02 H new ATOM 0 HE1 TYR A 69 14.488 11.100 -11.804 1.00 0.02 H new ATOM 0 HE2 TYR A 69 10.370 11.836 -10.826 1.00 0.02 H new ATOM 0 HH TYR A 69 11.547 13.123 -12.222 1.00 0.01 H new ATOM 1087 N GLN A 70 10.848 7.537 -11.556 1.00 0.01 N ATOM 1088 CA GLN A 70 9.576 7.603 -12.331 1.00 0.02 C ATOM 1089 C GLN A 70 9.105 6.192 -12.708 1.00 0.01 C ATOM 1090 O GLN A 70 7.936 5.956 -12.941 1.00 0.02 O ATOM 1091 CB GLN A 70 9.811 8.406 -13.613 1.00 0.01 C ATOM 1092 CG GLN A 70 10.389 9.777 -13.262 1.00 0.01 C ATOM 1093 CD GLN A 70 10.552 10.605 -14.539 1.00 0.02 C ATOM 1094 OE1 GLN A 70 10.155 11.753 -14.587 1.00 0.01 O ATOM 1095 NE2 GLN A 70 11.124 10.068 -15.582 1.00 0.02 N ATOM 0 H GLN A 70 11.639 8.019 -11.983 1.00 0.01 H new ATOM 0 HA GLN A 70 8.813 8.082 -11.717 1.00 0.02 H new ATOM 0 HB2 GLN A 70 10.495 7.869 -14.270 1.00 0.01 H new ATOM 0 HB3 GLN A 70 8.874 8.524 -14.157 1.00 0.01 H new ATOM 0 HG2 GLN A 70 9.731 10.293 -12.563 1.00 0.01 H new ATOM 0 HG3 GLN A 70 11.353 9.661 -12.766 1.00 0.01 H new ATOM 0 HE21 GLN A 70 11.457 9.105 -15.542 1.00 0.02 H new ATOM 0 HE22 GLN A 70 11.238 10.612 -16.438 1.00 0.02 H new ATOM 1104 N ARG A 71 10.013 5.252 -12.761 1.00 0.01 N ATOM 1105 CA ARG A 71 9.619 3.858 -13.115 1.00 0.02 C ATOM 1106 C ARG A 71 8.813 3.266 -11.958 1.00 0.01 C ATOM 1107 O ARG A 71 8.104 2.290 -12.105 1.00 0.02 O ATOM 1108 CB ARG A 71 10.867 3.009 -13.362 1.00 0.34 C ATOM 1109 CG ARG A 71 10.471 1.683 -14.032 1.00 0.72 C ATOM 1110 CD ARG A 71 9.948 1.926 -15.463 1.00 1.04 C ATOM 1111 NE ARG A 71 8.461 2.029 -15.436 1.00 1.67 N ATOM 1112 CZ ARG A 71 7.824 2.517 -16.466 1.00 2.47 C ATOM 1113 NH1 ARG A 71 8.490 2.920 -17.514 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.521 2.603 -16.448 1.00 3.42 N ATOM 0 H ARG A 71 11.006 5.390 -12.575 1.00 0.01 H new ATOM 0 HA ARG A 71 9.016 3.866 -14.023 1.00 0.02 H new ATOM 0 HB2 ARG A 71 11.568 3.552 -13.996 1.00 0.34 H new ATOM 0 HB3 ARG A 71 11.377 2.812 -12.419 1.00 0.34 H new ATOM 0 HG2 ARG A 71 11.332 1.015 -14.063 1.00 0.72 H new ATOM 0 HG3 ARG A 71 9.703 1.186 -13.439 1.00 0.72 H new ATOM 0 HD2 ARG A 71 10.380 2.841 -15.869 1.00 1.04 H new ATOM 0 HD3 ARG A 71 10.255 1.110 -16.118 1.00 1.04 H new ATOM 0 HE ARG A 71 7.942 1.719 -14.614 1.00 1.67 H new ATOM 0 HH11 ARG A 71 9.508 2.854 -17.528 1.00 2.54 H new ATOM 0 HH12 ARG A 71 7.993 3.301 -18.319 1.00 2.54 H new ATOM 0 HH21 ARG A 71 6.000 2.289 -15.629 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.024 2.984 -17.253 1.00 3.42 H new ATOM 1128 N TRP A 72 8.929 3.868 -10.804 1.00 0.02 N ATOM 1129 CA TRP A 72 8.194 3.389 -9.594 1.00 0.01 C ATOM 1130 C TRP A 72 7.082 4.405 -9.295 1.00 0.01 C ATOM 1131 O TRP A 72 6.441 4.375 -8.264 1.00 0.02 O ATOM 1132 CB TRP A 72 9.223 3.282 -8.442 1.00 0.02 C ATOM 1133 CG TRP A 72 8.622 3.592 -7.106 1.00 0.01 C ATOM 1134 CD1 TRP A 72 7.648 2.877 -6.500 1.00 0.01 C ATOM 1135 CD2 TRP A 72 8.957 4.681 -6.199 1.00 0.02 C ATOM 1136 NE1 TRP A 72 7.359 3.464 -5.281 1.00 0.02 N ATOM 1137 CE2 TRP A 72 8.140 4.579 -5.051 1.00 0.02 C ATOM 1138 CE3 TRP A 72 9.882 5.739 -6.264 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 8.235 5.494 -4.004 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 9.980 6.662 -5.211 1.00 0.02 C ATOM 1141 CH2 TRP A 72 9.158 6.540 -4.083 1.00 0.02 C ATOM 0 H TRP A 72 9.514 4.688 -10.645 1.00 0.02 H new ATOM 0 HA TRP A 72 7.731 2.412 -9.732 1.00 0.01 H new ATOM 0 HB2 TRP A 72 9.640 2.275 -8.424 1.00 0.02 H new ATOM 0 HB3 TRP A 72 10.050 3.966 -8.633 1.00 0.02 H new ATOM 0 HD1 TRP A 72 7.174 1.993 -6.901 1.00 0.01 H new ATOM 0 HE1 TRP A 72 6.654 3.115 -4.631 1.00 0.02 H new ATOM 0 HE3 TRP A 72 10.520 5.842 -7.129 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 7.599 5.395 -3.137 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 10.693 7.471 -5.271 1.00 0.02 H new ATOM 0 HH2 TRP A 72 9.238 7.253 -3.276 1.00 0.02 H new ATOM 1152 N MET A 73 6.855 5.303 -10.216 1.00 0.02 N ATOM 1153 CA MET A 73 5.794 6.338 -10.037 1.00 0.02 C ATOM 1154 C MET A 73 6.101 7.219 -8.818 1.00 0.01 C ATOM 1155 O MET A 73 5.225 7.832 -8.241 1.00 0.02 O ATOM 1156 CB MET A 73 4.437 5.655 -9.845 1.00 0.02 C ATOM 1157 CG MET A 73 4.300 4.496 -10.835 1.00 0.01 C ATOM 1158 SD MET A 73 2.561 4.010 -10.958 1.00 0.01 S ATOM 1159 CE MET A 73 2.794 2.624 -12.100 1.00 0.01 C ATOM 0 H MET A 73 7.366 5.364 -11.097 1.00 0.02 H new ATOM 0 HA MET A 73 5.767 6.967 -10.927 1.00 0.02 H new ATOM 0 HB2 MET A 73 4.346 5.286 -8.823 1.00 0.02 H new ATOM 0 HB3 MET A 73 3.632 6.374 -9.998 1.00 0.02 H new ATOM 0 HG2 MET A 73 4.676 4.794 -11.814 1.00 0.01 H new ATOM 0 HG3 MET A 73 4.903 3.650 -10.506 1.00 0.01 H new ATOM 0 HE1 MET A 73 1.829 2.166 -12.318 1.00 0.01 H new ATOM 0 HE2 MET A 73 3.241 2.986 -13.025 1.00 0.01 H new ATOM 0 HE3 MET A 73 3.452 1.884 -11.644 1.00 0.01 H new ATOM 1169 N GLY A 74 7.347 7.279 -8.426 1.00 0.02 N ATOM 1170 CA GLY A 74 7.723 8.112 -7.250 1.00 0.02 C ATOM 1171 C GLY A 74 7.382 9.575 -7.522 1.00 0.01 C ATOM 1172 O GLY A 74 7.528 10.062 -8.625 1.00 0.01 O ATOM 0 H GLY A 74 8.120 6.785 -8.872 1.00 0.02 H new ATOM 0 HA2 GLY A 74 7.194 7.765 -6.363 1.00 0.02 H new ATOM 0 HA3 GLY A 74 8.789 8.009 -7.046 1.00 0.02 H new ATOM 1176 N LEU A 75 6.965 10.296 -6.515 1.00 0.02 N ATOM 1177 CA LEU A 75 6.666 11.742 -6.715 1.00 0.02 C ATOM 1178 C LEU A 75 7.997 12.506 -6.692 1.00 0.01 C ATOM 1179 O LEU A 75 8.162 13.514 -7.353 1.00 0.02 O ATOM 1180 CB LEU A 75 5.738 12.244 -5.597 1.00 0.55 C ATOM 1181 CG LEU A 75 4.278 11.940 -5.952 1.00 0.58 C ATOM 1182 CD1 LEU A 75 4.124 10.452 -6.270 1.00 0.98 C ATOM 1183 CD2 LEU A 75 3.381 12.299 -4.765 1.00 0.42 C ATOM 0 H LEU A 75 6.819 9.947 -5.568 1.00 0.02 H new ATOM 0 HA LEU A 75 6.161 11.901 -7.668 1.00 0.02 H new ATOM 0 HB2 LEU A 75 5.999 11.764 -4.654 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.871 13.317 -5.457 1.00 0.55 H new ATOM 0 HG LEU A 75 3.989 12.528 -6.823 1.00 0.58 H new ATOM 0 HD11 LEU A 75 3.085 10.239 -6.522 1.00 0.98 H new ATOM 0 HD12 LEU A 75 4.763 10.192 -7.114 1.00 0.98 H new ATOM 0 HD13 LEU A 75 4.415 9.862 -5.401 1.00 0.98 H new ATOM 0 HD21 LEU A 75 2.342 12.084 -5.016 1.00 0.42 H new ATOM 0 HD22 LEU A 75 3.674 11.710 -3.896 1.00 0.42 H new ATOM 0 HD23 LEU A 75 3.487 13.360 -4.537 1.00 0.42 H new ATOM 1195 N ASN A 76 8.959 12.009 -5.955 1.00 0.01 N ATOM 1196 CA ASN A 76 10.300 12.643 -5.882 1.00 0.02 C ATOM 1197 C ASN A 76 11.280 11.549 -5.449 1.00 0.02 C ATOM 1198 O ASN A 76 10.922 10.389 -5.405 1.00 0.02 O ATOM 1199 CB ASN A 76 10.288 13.780 -4.860 1.00 0.02 C ATOM 1200 CG ASN A 76 9.345 14.886 -5.338 1.00 0.02 C ATOM 1201 OD1 ASN A 76 9.598 15.529 -6.336 1.00 0.01 O ATOM 1202 ND2 ASN A 76 8.258 15.135 -4.660 1.00 0.02 N ATOM 0 H ASN A 76 8.862 11.167 -5.388 1.00 0.01 H new ATOM 0 HA ASN A 76 10.589 13.067 -6.844 1.00 0.02 H new ATOM 0 HB2 ASN A 76 9.965 13.406 -3.888 1.00 0.02 H new ATOM 0 HB3 ASN A 76 11.295 14.177 -4.730 1.00 0.02 H new ATOM 0 HD21 ASN A 76 7.621 15.870 -4.969 1.00 0.02 H new ATOM 0 HD22 ASN A 76 8.045 14.595 -3.821 1.00 0.02 H new ATOM 1209 N ASP A 77 12.510 11.880 -5.144 1.00 0.01 N ATOM 1210 CA ASP A 77 13.491 10.819 -4.739 1.00 0.01 C ATOM 1211 C ASP A 77 13.620 10.749 -3.212 1.00 0.01 C ATOM 1212 O ASP A 77 14.663 10.389 -2.696 1.00 0.01 O ATOM 1213 CB ASP A 77 14.862 11.158 -5.328 1.00 0.01 C ATOM 1214 CG ASP A 77 14.756 11.252 -6.851 1.00 0.01 C ATOM 1215 OD1 ASP A 77 14.206 10.340 -7.445 1.00 0.02 O ATOM 1216 OD2 ASP A 77 15.224 12.237 -7.398 1.00 0.01 O ATOM 0 H ASP A 77 12.878 12.831 -5.157 1.00 0.01 H new ATOM 0 HA ASP A 77 13.136 9.858 -5.110 1.00 0.01 H new ATOM 0 HB2 ASP A 77 15.221 12.102 -4.919 1.00 0.01 H new ATOM 0 HB3 ASP A 77 15.588 10.394 -5.050 1.00 0.01 H new ATOM 1221 N ARG A 78 12.592 11.102 -2.476 1.00 0.01 N ATOM 1222 CA ARG A 78 12.693 11.068 -0.980 1.00 0.01 C ATOM 1223 C ARG A 78 12.111 9.767 -0.410 1.00 0.02 C ATOM 1224 O ARG A 78 10.955 9.449 -0.611 1.00 0.02 O ATOM 1225 CB ARG A 78 11.945 12.272 -0.396 1.00 0.43 C ATOM 1226 CG ARG A 78 12.635 13.570 -0.834 1.00 0.80 C ATOM 1227 CD ARG A 78 12.153 14.731 0.039 1.00 1.00 C ATOM 1228 NE ARG A 78 10.664 14.656 0.219 1.00 1.30 N ATOM 1229 CZ ARG A 78 9.850 14.636 -0.805 1.00 2.30 C ATOM 1230 NH1 ARG A 78 10.296 14.861 -2.009 1.00 2.72 N ATOM 1231 NH2 ARG A 78 8.573 14.442 -0.614 1.00 3.20 N ATOM 0 H ARG A 78 11.692 11.411 -2.843 1.00 0.01 H new ATOM 0 HA ARG A 78 13.746 11.113 -0.704 1.00 0.01 H new ATOM 0 HB2 ARG A 78 10.909 12.268 -0.734 1.00 0.43 H new ATOM 0 HB3 ARG A 78 11.926 12.208 0.692 1.00 0.43 H new ATOM 0 HG2 ARG A 78 13.717 13.464 -0.750 1.00 0.80 H new ATOM 0 HG3 ARG A 78 12.415 13.774 -1.882 1.00 0.80 H new ATOM 0 HD2 ARG A 78 12.647 14.696 1.010 1.00 1.00 H new ATOM 0 HD3 ARG A 78 12.424 15.681 -0.422 1.00 1.00 H new ATOM 0 HE ARG A 78 10.278 14.620 1.162 1.00 1.30 H new ATOM 0 HH11 ARG A 78 11.286 15.054 -2.158 1.00 2.72 H new ATOM 0 HH12 ARG A 78 9.655 14.844 -2.802 1.00 2.72 H new ATOM 0 HH21 ARG A 78 8.213 14.307 0.331 1.00 3.20 H new ATOM 0 HH22 ARG A 78 7.935 14.426 -1.410 1.00 3.20 H new ATOM 1245 N LEU A 79 12.905 9.032 0.327 1.00 0.01 N ATOM 1246 CA LEU A 79 12.428 7.759 0.960 1.00 0.01 C ATOM 1247 C LEU A 79 13.068 7.663 2.346 1.00 0.01 C ATOM 1248 O LEU A 79 14.277 7.667 2.472 1.00 0.02 O ATOM 1249 CB LEU A 79 12.871 6.561 0.118 1.00 1.04 C ATOM 1250 CG LEU A 79 12.077 6.516 -1.196 1.00 1.85 C ATOM 1251 CD1 LEU A 79 12.628 5.389 -2.074 1.00 2.40 C ATOM 1252 CD2 LEU A 79 10.578 6.272 -0.911 1.00 2.61 C ATOM 0 H LEU A 79 13.880 9.262 0.521 1.00 0.01 H new ATOM 0 HA LEU A 79 11.340 7.756 1.030 1.00 0.01 H new ATOM 0 HB2 LEU A 79 13.938 6.631 -0.095 1.00 1.04 H new ATOM 0 HB3 LEU A 79 12.717 5.638 0.676 1.00 1.04 H new ATOM 0 HG LEU A 79 12.180 7.471 -1.711 1.00 1.85 H new ATOM 0 HD11 LEU A 79 12.069 5.350 -3.009 1.00 2.40 H new ATOM 0 HD12 LEU A 79 13.681 5.575 -2.287 1.00 2.40 H new ATOM 0 HD13 LEU A 79 12.527 4.438 -1.551 1.00 2.40 H new ATOM 0 HD21 LEU A 79 10.029 6.243 -1.852 1.00 2.61 H new ATOM 0 HD22 LEU A 79 10.457 5.322 -0.390 1.00 2.61 H new ATOM 0 HD23 LEU A 79 10.190 7.079 -0.289 1.00 2.61 H new ATOM 1264 N GLY A 80 12.276 7.623 3.394 1.00 0.02 N ATOM 1265 CA GLY A 80 12.844 7.583 4.781 1.00 0.02 C ATOM 1266 C GLY A 80 12.655 6.220 5.457 1.00 0.02 C ATOM 1267 O GLY A 80 13.334 5.918 6.419 1.00 0.01 O ATOM 0 H GLY A 80 11.257 7.616 3.347 1.00 0.02 H new ATOM 0 HA2 GLY A 80 13.907 7.820 4.741 1.00 0.02 H new ATOM 0 HA3 GLY A 80 12.368 8.354 5.387 1.00 0.02 H new ATOM 1271 N SER A 81 11.756 5.383 4.991 1.00 0.01 N ATOM 1272 CA SER A 81 11.584 4.058 5.675 1.00 0.01 C ATOM 1273 C SER A 81 10.982 3.028 4.721 1.00 0.02 C ATOM 1274 O SER A 81 10.329 3.356 3.751 1.00 0.01 O ATOM 1275 CB SER A 81 10.665 4.229 6.884 1.00 0.01 C ATOM 1276 OG SER A 81 9.552 5.032 6.517 1.00 0.01 O ATOM 0 H SER A 81 11.149 5.552 4.189 1.00 0.01 H new ATOM 0 HA SER A 81 12.563 3.702 5.996 1.00 0.01 H new ATOM 0 HB2 SER A 81 10.325 3.256 7.238 1.00 0.01 H new ATOM 0 HB3 SER A 81 11.209 4.695 7.706 1.00 0.01 H new ATOM 0 HG SER A 81 9.757 5.974 6.691 1.00 0.01 H new ATOM 1282 N CYS A 82 11.205 1.765 4.999 1.00 0.02 N ATOM 1283 CA CYS A 82 10.651 0.690 4.116 1.00 0.01 C ATOM 1284 C CYS A 82 10.273 -0.542 4.948 1.00 0.01 C ATOM 1285 O CYS A 82 10.891 -0.843 5.951 1.00 0.01 O ATOM 1286 CB CYS A 82 11.700 0.299 3.073 1.00 0.01 C ATOM 1287 SG CYS A 82 12.251 1.778 2.186 1.00 0.02 S ATOM 0 H CYS A 82 11.746 1.433 5.798 1.00 0.02 H new ATOM 0 HA CYS A 82 9.757 1.066 3.618 1.00 0.01 H new ATOM 0 HB2 CYS A 82 12.548 -0.184 3.558 1.00 0.01 H new ATOM 0 HB3 CYS A 82 11.280 -0.423 2.372 1.00 0.01 H new ATOM 0 HG CYS A 82 11.394 2.738 2.369 1.00 0.02 H new ATOM 1293 N ARG A 83 9.262 -1.262 4.526 1.00 0.01 N ATOM 1294 CA ARG A 83 8.829 -2.488 5.271 1.00 0.01 C ATOM 1295 C ARG A 83 8.531 -3.606 4.273 1.00 0.01 C ATOM 1296 O ARG A 83 7.992 -3.380 3.207 1.00 0.01 O ATOM 1297 CB ARG A 83 7.540 -2.196 6.040 1.00 0.01 C ATOM 1298 CG ARG A 83 7.788 -1.094 7.071 1.00 0.01 C ATOM 1299 CD ARG A 83 6.614 -1.039 8.048 1.00 0.01 C ATOM 1300 NE ARG A 83 6.471 -2.357 8.726 1.00 0.01 N ATOM 1301 CZ ARG A 83 5.741 -2.463 9.801 1.00 0.01 C ATOM 1302 NH1 ARG A 83 5.137 -1.413 10.285 1.00 0.01 N ATOM 1303 NH2 ARG A 83 5.615 -3.618 10.393 1.00 0.01 N ATOM 0 H ARG A 83 8.714 -1.052 3.692 1.00 0.01 H new ATOM 0 HA ARG A 83 9.623 -2.782 5.957 1.00 0.01 H new ATOM 0 HB2 ARG A 83 6.755 -1.889 5.349 1.00 0.01 H new ATOM 0 HB3 ARG A 83 7.190 -3.100 6.538 1.00 0.01 H new ATOM 0 HG2 ARG A 83 8.715 -1.287 7.610 1.00 0.01 H new ATOM 0 HG3 ARG A 83 7.905 -0.133 6.571 1.00 0.01 H new ATOM 0 HD2 ARG A 83 6.778 -0.254 8.786 1.00 0.01 H new ATOM 0 HD3 ARG A 83 5.696 -0.790 7.516 1.00 0.01 H new ATOM 0 HE ARG A 83 6.945 -3.178 8.349 1.00 0.01 H new ATOM 0 HH11 ARG A 83 5.236 -0.509 9.822 1.00 0.01 H new ATOM 0 HH12 ARG A 83 4.566 -1.496 11.126 1.00 0.01 H new ATOM 0 HH21 ARG A 83 6.088 -4.439 10.015 1.00 0.01 H new ATOM 0 HH22 ARG A 83 5.044 -3.700 11.234 1.00 0.01 H new ATOM 1317 N ALA A 84 8.878 -4.821 4.609 1.00 0.01 N ATOM 1318 CA ALA A 84 8.616 -5.957 3.683 1.00 0.01 C ATOM 1319 C ALA A 84 7.145 -6.364 3.780 1.00 0.01 C ATOM 1320 O ALA A 84 6.606 -6.555 4.852 1.00 0.00 O ATOM 1321 CB ALA A 84 9.491 -7.150 4.073 1.00 0.43 C ATOM 0 H ALA A 84 9.332 -5.074 5.487 1.00 0.01 H new ATOM 0 HA ALA A 84 8.848 -5.650 2.663 1.00 0.01 H new ATOM 0 HB1 ALA A 84 9.298 -7.980 3.394 1.00 0.43 H new ATOM 0 HB2 ALA A 84 10.542 -6.867 4.010 1.00 0.43 H new ATOM 0 HB3 ALA A 84 9.258 -7.454 5.093 1.00 0.43 H new ATOM 1327 N VAL A 85 6.503 -6.522 2.654 1.00 0.01 N ATOM 1328 CA VAL A 85 5.073 -6.942 2.646 1.00 0.01 C ATOM 1329 C VAL A 85 5.006 -8.467 2.568 1.00 0.01 C ATOM 1330 O VAL A 85 5.553 -9.072 1.666 1.00 0.01 O ATOM 1331 CB VAL A 85 4.362 -6.339 1.434 1.00 0.98 C ATOM 1332 CG1 VAL A 85 2.854 -6.577 1.555 1.00 1.25 C ATOM 1333 CG2 VAL A 85 4.634 -4.832 1.381 1.00 1.12 C ATOM 0 H VAL A 85 6.912 -6.377 1.731 1.00 0.01 H new ATOM 0 HA VAL A 85 4.584 -6.593 3.556 1.00 0.01 H new ATOM 0 HB VAL A 85 4.734 -6.810 0.524 1.00 0.98 H new ATOM 0 HG11 VAL A 85 2.347 -6.147 0.691 1.00 1.25 H new ATOM 0 HG12 VAL A 85 2.657 -7.648 1.595 1.00 1.25 H new ATOM 0 HG13 VAL A 85 2.483 -6.105 2.465 1.00 1.25 H new ATOM 0 HG21 VAL A 85 4.128 -4.401 0.517 1.00 1.12 H new ATOM 0 HG22 VAL A 85 4.261 -4.363 2.292 1.00 1.12 H new ATOM 0 HG23 VAL A 85 5.707 -4.659 1.296 1.00 1.12 H new ATOM 1343 N HIS A 86 4.336 -9.100 3.490 1.00 0.01 N ATOM 1344 CA HIS A 86 4.233 -10.586 3.444 1.00 0.01 C ATOM 1345 C HIS A 86 2.963 -10.962 2.685 1.00 0.01 C ATOM 1346 O HIS A 86 1.895 -10.446 2.946 1.00 0.00 O ATOM 1347 CB HIS A 86 4.149 -11.136 4.869 1.00 0.21 C ATOM 1348 CG HIS A 86 5.407 -10.787 5.616 1.00 0.71 C ATOM 1349 ND1 HIS A 86 6.640 -11.322 5.276 1.00 1.26 N ATOM 1350 CD2 HIS A 86 5.638 -9.960 6.688 1.00 1.20 C ATOM 1351 CE1 HIS A 86 7.549 -10.816 6.129 1.00 1.77 C ATOM 1352 NE2 HIS A 86 6.992 -9.980 7.011 1.00 1.71 N ATOM 0 H HIS A 86 3.856 -8.654 4.272 1.00 0.01 H new ATOM 0 HA HIS A 86 5.108 -11.005 2.946 1.00 0.01 H new ATOM 0 HB2 HIS A 86 3.282 -10.719 5.381 1.00 0.21 H new ATOM 0 HB3 HIS A 86 4.015 -12.218 4.846 1.00 0.21 H new ATOM 0 HD2 HIS A 86 4.884 -9.382 7.202 1.00 1.20 H new ATOM 0 HE1 HIS A 86 8.602 -11.056 6.104 1.00 1.77 H new ATOM 0 HE2 HIS A 86 7.458 -9.467 7.759 1.00 1.71 H new ATOM 1360 N LEU A 87 3.073 -11.860 1.743 1.00 0.01 N ATOM 1361 CA LEU A 87 1.878 -12.280 0.954 1.00 0.01 C ATOM 1362 C LEU A 87 1.311 -13.550 1.585 1.00 0.01 C ATOM 1363 O LEU A 87 2.046 -14.436 1.974 1.00 0.01 O ATOM 1364 CB LEU A 87 2.311 -12.572 -0.497 1.00 0.67 C ATOM 1365 CG LEU A 87 3.441 -11.624 -0.911 1.00 1.25 C ATOM 1366 CD1 LEU A 87 3.785 -11.862 -2.383 1.00 1.63 C ATOM 1367 CD2 LEU A 87 2.997 -10.172 -0.721 1.00 1.34 C ATOM 0 H LEU A 87 3.944 -12.323 1.485 1.00 0.01 H new ATOM 0 HA LEU A 87 1.123 -11.494 0.953 1.00 0.01 H new ATOM 0 HB2 LEU A 87 2.644 -13.606 -0.584 1.00 0.67 H new ATOM 0 HB3 LEU A 87 1.461 -12.453 -1.169 1.00 0.67 H new ATOM 0 HG LEU A 87 4.317 -11.815 -0.292 1.00 1.25 H new ATOM 0 HD11 LEU A 87 4.589 -11.189 -2.682 1.00 1.63 H new ATOM 0 HD12 LEU A 87 4.106 -12.895 -2.519 1.00 1.63 H new ATOM 0 HD13 LEU A 87 2.905 -11.672 -2.998 1.00 1.63 H new ATOM 0 HD21 LEU A 87 3.805 -9.503 -1.017 1.00 1.34 H new ATOM 0 HD22 LEU A 87 2.119 -9.976 -1.337 1.00 1.34 H new ATOM 0 HD23 LEU A 87 2.750 -10.001 0.327 1.00 1.34 H new ATOM 1379 N SER A 88 0.010 -13.659 1.667 1.00 0.01 N ATOM 1380 CA SER A 88 -0.626 -14.880 2.244 1.00 0.01 C ATOM 1381 C SER A 88 -1.331 -15.640 1.122 1.00 0.01 C ATOM 1382 O SER A 88 -2.178 -15.081 0.452 1.00 0.01 O ATOM 1383 CB SER A 88 -1.654 -14.475 3.302 1.00 0.81 C ATOM 1384 OG SER A 88 -2.534 -15.565 3.543 1.00 1.08 O ATOM 0 H SER A 88 -0.647 -12.944 1.354 1.00 0.01 H new ATOM 0 HA SER A 88 0.135 -15.509 2.706 1.00 0.01 H new ATOM 0 HB2 SER A 88 -1.150 -14.189 4.225 1.00 0.81 H new ATOM 0 HB3 SER A 88 -2.218 -13.605 2.964 1.00 0.81 H new ATOM 0 HG SER A 88 -3.193 -15.309 4.222 1.00 1.08 H new ATOM 1390 N SER A 89 -1.056 -16.904 0.928 1.00 0.01 N ATOM 1391 CA SER A 89 -1.792 -17.669 -0.128 1.00 0.01 C ATOM 1392 C SER A 89 -2.829 -18.510 0.606 1.00 0.01 C ATOM 1393 O SER A 89 -3.203 -18.169 1.711 1.00 0.01 O ATOM 1394 CB SER A 89 -0.823 -18.580 -0.883 1.00 0.43 C ATOM 1395 OG SER A 89 0.279 -17.811 -1.350 1.00 1.26 O ATOM 0 H SER A 89 -0.360 -17.438 1.449 1.00 0.01 H new ATOM 0 HA SER A 89 -2.257 -17.002 -0.854 1.00 0.01 H new ATOM 0 HB2 SER A 89 -0.473 -19.379 -0.229 1.00 0.43 H new ATOM 0 HB3 SER A 89 -1.331 -19.055 -1.722 1.00 0.43 H new ATOM 0 HG SER A 89 0.903 -18.393 -1.833 1.00 1.26 H new ATOM 1401 N GLY A 90 -3.280 -19.613 0.062 1.00 0.01 N ATOM 1402 CA GLY A 90 -4.267 -20.457 0.808 1.00 0.00 C ATOM 1403 C GLY A 90 -5.403 -20.941 -0.092 1.00 0.00 C ATOM 1404 O GLY A 90 -5.700 -22.118 -0.132 1.00 0.01 O ATOM 0 H GLY A 90 -3.011 -19.964 -0.857 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -3.755 -21.317 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.681 -19.883 1.637 1.00 0.00 H new ATOM 1408 N GLY A 91 -6.048 -20.066 -0.822 1.00 0.00 N ATOM 1409 CA GLY A 91 -7.151 -20.543 -1.701 1.00 0.00 C ATOM 1410 C GLY A 91 -7.808 -19.395 -2.478 1.00 0.00 C ATOM 1411 O GLY A 91 -7.294 -18.964 -3.490 1.00 0.01 O ATOM 0 H GLY A 91 -5.862 -19.063 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.761 -21.279 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.904 -21.048 -1.096 1.00 0.00 H new ATOM 1415 N GLN A 92 -8.942 -18.906 -2.029 1.00 1.80 N ATOM 1416 CA GLN A 92 -9.639 -17.790 -2.761 1.00 2.31 C ATOM 1417 C GLN A 92 -9.790 -16.560 -1.858 1.00 1.91 C ATOM 1418 O GLN A 92 -10.380 -16.611 -0.796 1.00 2.31 O ATOM 1419 CB GLN A 92 -11.008 -18.293 -3.229 1.00 2.11 C ATOM 1420 CG GLN A 92 -11.712 -17.194 -4.029 1.00 2.86 C ATOM 1421 CD GLN A 92 -12.973 -17.764 -4.683 1.00 3.70 C ATOM 1422 OE1 GLN A 92 -13.988 -17.925 -4.036 1.00 3.99 O ATOM 1423 NE2 GLN A 92 -12.950 -18.074 -5.950 1.00 4.43 N ATOM 0 H GLN A 92 -9.417 -19.230 -1.187 1.00 1.80 H new ATOM 0 HA GLN A 92 -9.045 -17.490 -3.624 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -10.888 -19.185 -3.844 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -11.615 -18.578 -2.370 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -11.974 -16.364 -3.373 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -11.041 -16.799 -4.792 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -12.097 -17.938 -6.493 1.00 4.43 H new ATOM 0 HE22 GLN A 92 -13.785 -18.452 -6.398 1.00 4.43 H new ATOM 1432 N ALA A 93 -9.222 -15.457 -2.283 1.00 0.01 N ATOM 1433 CA ALA A 93 -9.286 -14.212 -1.461 1.00 0.01 C ATOM 1434 C ALA A 93 -10.743 -13.727 -1.383 1.00 0.01 C ATOM 1435 O ALA A 93 -11.470 -13.785 -2.357 1.00 0.01 O ATOM 1436 CB ALA A 93 -8.415 -13.136 -2.119 1.00 2.99 C ATOM 0 H ALA A 93 -8.717 -15.367 -3.165 1.00 0.01 H new ATOM 0 HA ALA A 93 -8.921 -14.411 -0.453 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -8.455 -12.222 -1.526 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -7.385 -13.487 -2.176 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -8.785 -12.933 -3.124 1.00 2.99 H new ATOM 1442 N LYS A 94 -11.196 -13.297 -0.213 1.00 0.00 N ATOM 1443 CA LYS A 94 -12.643 -12.866 -0.075 1.00 0.01 C ATOM 1444 C LYS A 94 -12.810 -11.566 0.734 1.00 0.01 C ATOM 1445 O LYS A 94 -12.291 -11.412 1.856 1.00 0.01 O ATOM 1446 CB LYS A 94 -13.438 -13.978 0.618 1.00 2.49 C ATOM 1447 CG LYS A 94 -14.940 -13.737 0.428 1.00 3.43 C ATOM 1448 CD LYS A 94 -15.727 -14.603 1.414 1.00 4.11 C ATOM 1449 CE LYS A 94 -15.485 -16.084 1.109 1.00 5.23 C ATOM 1450 NZ LYS A 94 -16.528 -16.906 1.790 1.00 6.36 N ATOM 0 H LYS A 94 -10.638 -13.226 0.638 1.00 0.00 H new ATOM 0 HA LYS A 94 -13.015 -12.678 -1.082 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -13.161 -14.948 0.205 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -13.196 -14.003 1.680 1.00 2.49 H new ATOM 0 HG2 LYS A 94 -15.173 -12.684 0.587 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -15.231 -13.977 -0.595 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -15.421 -14.378 2.435 1.00 4.11 H new ATOM 0 HD3 LYS A 94 -16.791 -14.376 1.343 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -15.516 -16.255 0.033 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -14.493 -16.380 1.450 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -16.366 -17.912 1.584 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 -16.477 -16.750 2.817 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -17.469 -16.629 1.444 1.00 6.36 H new ATOM 1464 N ILE A 95 -13.573 -10.632 0.168 1.00 0.00 N ATOM 1465 CA ILE A 95 -13.844 -9.323 0.843 1.00 0.01 C ATOM 1466 C ILE A 95 -15.357 -8.999 0.811 1.00 0.01 C ATOM 1467 O ILE A 95 -16.032 -9.193 -0.184 1.00 0.01 O ATOM 1468 CB ILE A 95 -13.055 -8.226 0.105 1.00 0.34 C ATOM 1469 CG1 ILE A 95 -13.616 -6.834 0.441 1.00 0.30 C ATOM 1470 CG2 ILE A 95 -13.168 -8.455 -1.402 1.00 0.36 C ATOM 1471 CD1 ILE A 95 -12.630 -5.753 -0.012 1.00 1.09 C ATOM 0 H ILE A 95 -14.018 -10.736 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 95 -13.532 -9.375 1.886 1.00 0.01 H new ATOM 0 HB ILE A 95 -12.013 -8.273 0.421 1.00 0.34 H new ATOM 0 HG12 ILE A 95 -14.578 -6.691 -0.052 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -13.792 -6.752 1.514 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -12.611 -7.681 -1.930 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -12.757 -9.433 -1.653 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -14.216 -8.414 -1.699 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -13.033 -4.769 0.229 1.00 1.09 H new ATOM 0 HD12 ILE A 95 -11.678 -5.891 0.501 1.00 1.09 H new ATOM 0 HD13 ILE A 95 -12.476 -5.829 -1.088 1.00 1.09 H new ATOM 1483 N GLN A 96 -15.866 -8.438 1.888 1.00 0.01 N ATOM 1484 CA GLN A 96 -17.312 -8.014 1.939 1.00 0.01 C ATOM 1485 C GLN A 96 -17.343 -6.525 2.306 1.00 0.01 C ATOM 1486 O GLN A 96 -16.571 -6.093 3.135 1.00 0.00 O ATOM 1487 CB GLN A 96 -18.100 -8.849 2.963 1.00 0.53 C ATOM 1488 CG GLN A 96 -17.222 -9.207 4.154 1.00 0.82 C ATOM 1489 CD GLN A 96 -18.093 -9.832 5.245 1.00 1.25 C ATOM 1490 OE1 GLN A 96 -18.571 -9.142 6.125 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -18.325 -11.115 5.226 1.00 2.05 N ATOM 0 H GLN A 96 -15.339 -8.254 2.741 1.00 0.01 H new ATOM 0 HA GLN A 96 -17.786 -8.177 0.971 1.00 0.01 H new ATOM 0 HB2 GLN A 96 -18.972 -8.289 3.302 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -18.470 -9.759 2.491 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -16.441 -9.904 3.850 1.00 0.82 H new ATOM 0 HG3 GLN A 96 -16.723 -8.316 4.535 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -17.925 -11.695 4.488 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -18.907 -11.539 5.949 1.00 2.05 H new ATOM 1500 N VAL A 97 -18.207 -5.725 1.706 1.00 0.01 N ATOM 1501 CA VAL A 97 -18.241 -4.253 2.036 1.00 0.01 C ATOM 1502 C VAL A 97 -19.646 -3.822 2.497 1.00 0.01 C ATOM 1503 O VAL A 97 -20.650 -4.348 2.053 1.00 0.01 O ATOM 1504 CB VAL A 97 -17.844 -3.466 0.784 1.00 0.77 C ATOM 1505 CG1 VAL A 97 -16.480 -3.956 0.283 1.00 1.10 C ATOM 1506 CG2 VAL A 97 -18.897 -3.686 -0.308 1.00 1.03 C ATOM 0 H VAL A 97 -18.886 -6.026 1.007 1.00 0.01 H new ATOM 0 HA VAL A 97 -17.545 -4.052 2.850 1.00 0.01 H new ATOM 0 HB VAL A 97 -17.782 -2.405 1.025 1.00 0.77 H new ATOM 0 HG11 VAL A 97 -16.197 -3.396 -0.608 1.00 1.10 H new ATOM 0 HG12 VAL A 97 -15.731 -3.804 1.060 1.00 1.10 H new ATOM 0 HG13 VAL A 97 -16.541 -5.017 0.041 1.00 1.10 H new ATOM 0 HG21 VAL A 97 -18.617 -3.127 -1.201 1.00 1.03 H new ATOM 0 HG22 VAL A 97 -18.956 -4.748 -0.548 1.00 1.03 H new ATOM 0 HG23 VAL A 97 -19.868 -3.340 0.048 1.00 1.03 H new ATOM 1516 N PHE A 98 -19.705 -2.875 3.414 1.00 0.01 N ATOM 1517 CA PHE A 98 -21.018 -2.395 3.961 1.00 0.01 C ATOM 1518 C PHE A 98 -21.198 -0.893 3.707 1.00 0.01 C ATOM 1519 O PHE A 98 -20.271 -0.098 3.821 1.00 0.01 O ATOM 1520 CB PHE A 98 -21.055 -2.645 5.469 1.00 0.25 C ATOM 1521 CG PHE A 98 -21.114 -4.132 5.745 1.00 0.36 C ATOM 1522 CD1 PHE A 98 -19.993 -4.936 5.500 1.00 0.42 C ATOM 1523 CD2 PHE A 98 -22.285 -4.705 6.258 1.00 0.58 C ATOM 1524 CE1 PHE A 98 -20.045 -6.310 5.765 1.00 0.56 C ATOM 1525 CE2 PHE A 98 -22.335 -6.078 6.523 1.00 0.73 C ATOM 1526 CZ PHE A 98 -21.215 -6.881 6.277 1.00 0.69 C ATOM 0 H PHE A 98 -18.887 -2.411 3.809 1.00 0.01 H new ATOM 0 HA PHE A 98 -21.820 -2.938 3.462 1.00 0.01 H new ATOM 0 HB2 PHE A 98 -20.171 -2.214 5.939 1.00 0.25 H new ATOM 0 HB3 PHE A 98 -21.922 -2.151 5.907 1.00 0.25 H new ATOM 0 HD1 PHE A 98 -19.089 -4.496 5.107 1.00 0.42 H new ATOM 0 HD2 PHE A 98 -23.150 -4.087 6.449 1.00 0.58 H new ATOM 0 HE1 PHE A 98 -19.181 -6.929 5.574 1.00 0.56 H new ATOM 0 HE2 PHE A 98 -23.239 -6.519 6.918 1.00 0.73 H new ATOM 0 HZ PHE A 98 -21.254 -7.941 6.482 1.00 0.69 H new ATOM 1536 N GLU A 99 -22.402 -0.517 3.357 1.00 0.01 N ATOM 1537 CA GLU A 99 -22.701 0.916 3.058 1.00 0.01 C ATOM 1538 C GLU A 99 -22.629 1.794 4.316 1.00 0.01 C ATOM 1539 O GLU A 99 -22.274 2.953 4.231 1.00 0.01 O ATOM 1540 CB GLU A 99 -24.106 1.023 2.463 1.00 0.01 C ATOM 1541 CG GLU A 99 -24.377 2.473 2.052 1.00 0.01 C ATOM 1542 CD GLU A 99 -25.674 2.537 1.241 1.00 0.01 C ATOM 1543 OE1 GLU A 99 -26.023 1.534 0.640 1.00 0.02 O ATOM 1544 OE2 GLU A 99 -26.296 3.588 1.234 1.00 0.01 O ATOM 0 H GLU A 99 -23.198 -1.148 3.265 1.00 0.01 H new ATOM 0 HA GLU A 99 -21.950 1.271 2.353 1.00 0.01 H new ATOM 0 HB2 GLU A 99 -24.197 0.366 1.598 1.00 0.01 H new ATOM 0 HB3 GLU A 99 -24.847 0.696 3.192 1.00 0.01 H new ATOM 0 HG2 GLU A 99 -24.457 3.105 2.937 1.00 0.01 H new ATOM 0 HG3 GLU A 99 -23.546 2.856 1.460 1.00 0.01 H new ATOM 1551 N LYS A 100 -22.971 1.276 5.477 1.00 0.01 N ATOM 1552 CA LYS A 100 -22.929 2.116 6.726 1.00 0.01 C ATOM 1553 C LYS A 100 -21.860 1.583 7.682 1.00 0.01 C ATOM 1554 O LYS A 100 -21.365 0.481 7.536 1.00 0.01 O ATOM 1555 CB LYS A 100 -24.291 2.091 7.429 1.00 0.94 C ATOM 1556 CG LYS A 100 -25.399 2.521 6.454 1.00 1.63 C ATOM 1557 CD LYS A 100 -25.412 4.048 6.305 1.00 2.19 C ATOM 1558 CE LYS A 100 -26.659 4.470 5.527 1.00 2.84 C ATOM 1559 NZ LYS A 100 -26.690 5.955 5.405 1.00 3.18 N ATOM 0 H LYS A 100 -23.276 0.313 5.615 1.00 0.01 H new ATOM 0 HA LYS A 100 -22.687 3.141 6.444 1.00 0.01 H new ATOM 0 HB2 LYS A 100 -24.496 1.089 7.805 1.00 0.94 H new ATOM 0 HB3 LYS A 100 -24.276 2.758 8.291 1.00 0.94 H new ATOM 0 HG2 LYS A 100 -25.239 2.055 5.482 1.00 1.63 H new ATOM 0 HG3 LYS A 100 -26.367 2.176 6.817 1.00 1.63 H new ATOM 0 HD2 LYS A 100 -25.405 4.521 7.287 1.00 2.19 H new ATOM 0 HD3 LYS A 100 -24.514 4.382 5.784 1.00 2.19 H new ATOM 0 HE2 LYS A 100 -26.655 4.013 4.537 1.00 2.84 H new ATOM 0 HE3 LYS A 100 -27.555 4.118 6.037 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 -27.538 6.242 4.876 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 -26.713 6.381 6.354 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 -25.841 6.280 4.900 1.00 3.18 H new ATOM 1573 N GLY A 101 -21.509 2.373 8.659 1.00 0.01 N ATOM 1574 CA GLY A 101 -20.462 1.963 9.638 1.00 0.01 C ATOM 1575 C GLY A 101 -20.945 0.797 10.499 1.00 0.00 C ATOM 1576 O GLY A 101 -22.123 0.509 10.591 1.00 0.01 O ATOM 0 H GLY A 101 -21.908 3.297 8.823 1.00 0.01 H new ATOM 0 HA2 GLY A 101 -19.555 1.676 9.107 1.00 0.01 H new ATOM 0 HA3 GLY A 101 -20.204 2.808 10.276 1.00 0.01 H new ATOM 1580 N ASP A 102 -20.017 0.143 11.145 1.00 0.01 N ATOM 1581 CA ASP A 102 -20.358 -1.001 12.036 1.00 0.00 C ATOM 1582 C ASP A 102 -21.118 -2.085 11.272 1.00 0.00 C ATOM 1583 O ASP A 102 -22.018 -2.715 11.790 1.00 0.01 O ATOM 1584 CB ASP A 102 -21.211 -0.497 13.201 1.00 0.01 C ATOM 1585 CG ASP A 102 -20.602 0.789 13.760 1.00 0.01 C ATOM 1586 OD1 ASP A 102 -19.527 0.714 14.331 1.00 0.01 O ATOM 1587 OD2 ASP A 102 -21.222 1.829 13.607 1.00 0.01 O ATOM 0 H ASP A 102 -19.021 0.358 11.091 1.00 0.01 H new ATOM 0 HA ASP A 102 -19.432 -1.436 12.413 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -22.232 -0.313 12.865 1.00 0.01 H new ATOM 0 HB3 ASP A 102 -21.264 -1.256 13.982 1.00 0.01 H new ATOM 1592 N PHE A 103 -20.730 -2.328 10.048 1.00 0.01 N ATOM 1593 CA PHE A 103 -21.382 -3.397 9.241 1.00 0.01 C ATOM 1594 C PHE A 103 -22.898 -3.221 9.219 1.00 0.00 C ATOM 1595 O PHE A 103 -23.638 -4.123 9.561 1.00 0.01 O ATOM 1596 CB PHE A 103 -21.039 -4.760 9.848 1.00 0.01 C ATOM 1597 CG PHE A 103 -19.567 -4.808 10.180 1.00 0.00 C ATOM 1598 CD1 PHE A 103 -18.630 -5.064 9.171 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -19.136 -4.593 11.494 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -17.265 -5.105 9.477 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -17.771 -4.635 11.801 1.00 0.01 C ATOM 1602 CZ PHE A 103 -16.835 -4.891 10.792 1.00 0.01 C ATOM 0 H PHE A 103 -19.982 -1.826 9.570 1.00 0.01 H new ATOM 0 HA PHE A 103 -21.014 -3.333 8.217 1.00 0.01 H new ATOM 0 HB2 PHE A 103 -21.631 -4.929 10.747 1.00 0.01 H new ATOM 0 HB3 PHE A 103 -21.291 -5.556 9.147 1.00 0.01 H new ATOM 0 HD1 PHE A 103 -18.961 -5.230 8.156 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -19.858 -4.394 12.272 1.00 0.01 H new ATOM 0 HE1 PHE A 103 -16.543 -5.302 8.698 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -17.440 -4.470 12.816 1.00 0.01 H new ATOM 0 HZ PHE A 103 -15.782 -4.923 11.028 1.00 0.01 H new ATOM 1612 N ASN A 104 -23.371 -2.076 8.792 1.00 0.00 N ATOM 1613 CA ASN A 104 -24.848 -1.839 8.710 1.00 0.01 C ATOM 1614 C ASN A 104 -25.167 -1.326 7.305 1.00 0.01 C ATOM 1615 O ASN A 104 -24.287 -0.928 6.568 1.00 0.01 O ATOM 1616 CB ASN A 104 -25.266 -0.793 9.753 1.00 1.68 C ATOM 1617 CG ASN A 104 -25.431 -1.464 11.119 1.00 2.31 C ATOM 1618 OD1 ASN A 104 -26.433 -1.279 11.782 1.00 3.15 O ATOM 1619 ND2 ASN A 104 -24.486 -2.245 11.569 1.00 2.38 N ATOM 0 H ASN A 104 -22.794 -1.289 8.494 1.00 0.00 H new ATOM 0 HA ASN A 104 -25.391 -2.763 8.909 1.00 0.01 H new ATOM 0 HB2 ASN A 104 -24.516 -0.005 9.813 1.00 1.68 H new ATOM 0 HB3 ASN A 104 -26.202 -0.321 9.454 1.00 1.68 H new ATOM 0 HD21 ASN A 104 -24.589 -2.699 12.476 1.00 2.38 H new ATOM 0 HD22 ASN A 104 -23.645 -2.401 11.013 1.00 2.38 H new ATOM 1626 N GLY A 105 -26.414 -1.338 6.915 1.00 0.01 N ATOM 1627 CA GLY A 105 -26.771 -0.852 5.547 1.00 0.01 C ATOM 1628 C GLY A 105 -26.737 -2.030 4.575 1.00 0.01 C ATOM 1629 O GLY A 105 -26.755 -3.174 4.982 1.00 0.01 O ATOM 0 H GLY A 105 -27.199 -1.661 7.481 1.00 0.01 H new ATOM 0 HA2 GLY A 105 -27.763 -0.400 5.555 1.00 0.01 H new ATOM 0 HA3 GLY A 105 -26.071 -0.080 5.227 1.00 0.01 H new ATOM 1633 N GLN A 106 -26.677 -1.776 3.298 1.00 0.01 N ATOM 1634 CA GLN A 106 -26.628 -2.903 2.327 1.00 0.01 C ATOM 1635 C GLN A 106 -25.226 -3.515 2.346 1.00 0.01 C ATOM 1636 O GLN A 106 -24.228 -2.826 2.463 1.00 0.01 O ATOM 1637 CB GLN A 106 -26.941 -2.381 0.921 1.00 0.01 C ATOM 1638 CG GLN A 106 -27.170 -3.560 -0.027 1.00 0.01 C ATOM 1639 CD GLN A 106 -28.512 -4.222 0.293 1.00 0.01 C ATOM 1640 OE1 GLN A 106 -29.349 -3.639 0.954 1.00 0.01 O ATOM 1641 NE2 GLN A 106 -28.754 -5.426 -0.150 1.00 0.01 N ATOM 0 H GLN A 106 -26.660 -0.843 2.887 1.00 0.01 H new ATOM 0 HA GLN A 106 -27.364 -3.659 2.601 1.00 0.01 H new ATOM 0 HB2 GLN A 106 -27.826 -1.746 0.947 1.00 0.01 H new ATOM 0 HB3 GLN A 106 -26.117 -1.766 0.559 1.00 0.01 H new ATOM 0 HG2 GLN A 106 -27.160 -3.216 -1.061 1.00 0.01 H new ATOM 0 HG3 GLN A 106 -26.362 -4.284 0.075 1.00 0.01 H new ATOM 0 HE21 GLN A 106 -28.052 -5.916 -0.705 1.00 0.01 H new ATOM 0 HE22 GLN A 106 -29.645 -5.877 0.059 1.00 0.01 H new ATOM 1650 N MET A 107 -25.159 -4.820 2.240 1.00 0.01 N ATOM 1651 CA MET A 107 -23.844 -5.535 2.255 1.00 0.01 C ATOM 1652 C MET A 107 -23.627 -6.229 0.910 1.00 0.01 C ATOM 1653 O MET A 107 -24.543 -6.762 0.316 1.00 0.01 O ATOM 1654 CB MET A 107 -23.860 -6.592 3.372 1.00 0.00 C ATOM 1655 CG MET A 107 -22.635 -7.514 3.256 1.00 0.01 C ATOM 1656 SD MET A 107 -22.990 -8.853 2.088 1.00 0.01 S ATOM 1657 CE MET A 107 -23.669 -10.027 3.287 1.00 0.01 C ATOM 0 H MET A 107 -25.972 -5.429 2.142 1.00 0.01 H new ATOM 0 HA MET A 107 -23.040 -4.821 2.431 1.00 0.01 H new ATOM 0 HB2 MET A 107 -23.863 -6.101 4.345 1.00 0.00 H new ATOM 0 HB3 MET A 107 -24.774 -7.182 3.310 1.00 0.00 H new ATOM 0 HG2 MET A 107 -21.769 -6.944 2.919 1.00 0.01 H new ATOM 0 HG3 MET A 107 -22.384 -7.927 4.233 1.00 0.01 H new ATOM 0 HE1 MET A 107 -23.960 -10.944 2.774 1.00 0.01 H new ATOM 0 HE2 MET A 107 -22.914 -10.256 4.040 1.00 0.01 H new ATOM 0 HE3 MET A 107 -24.542 -9.589 3.770 1.00 0.01 H new ATOM 1667 N TYR A 108 -22.405 -6.242 0.443 1.00 0.01 N ATOM 1668 CA TYR A 108 -22.075 -6.913 -0.852 1.00 0.00 C ATOM 1669 C TYR A 108 -20.837 -7.790 -0.639 1.00 0.01 C ATOM 1670 O TYR A 108 -19.889 -7.402 0.016 1.00 0.01 O ATOM 1671 CB TYR A 108 -21.775 -5.855 -1.918 1.00 0.54 C ATOM 1672 CG TYR A 108 -23.069 -5.230 -2.388 1.00 0.60 C ATOM 1673 CD1 TYR A 108 -23.870 -5.898 -3.321 1.00 1.24 C ATOM 1674 CD2 TYR A 108 -23.468 -3.983 -1.888 1.00 0.93 C ATOM 1675 CE1 TYR A 108 -25.070 -5.320 -3.755 1.00 1.76 C ATOM 1676 CE2 TYR A 108 -24.667 -3.405 -2.323 1.00 1.51 C ATOM 1677 CZ TYR A 108 -25.469 -4.074 -3.257 1.00 1.82 C ATOM 1678 OH TYR A 108 -26.651 -3.506 -3.685 1.00 2.48 O ATOM 0 H TYR A 108 -21.609 -5.809 0.911 1.00 0.01 H new ATOM 0 HA TYR A 108 -22.916 -7.522 -1.184 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -21.116 -5.089 -1.509 1.00 0.54 H new ATOM 0 HB3 TYR A 108 -21.252 -6.310 -2.759 1.00 0.54 H new ATOM 0 HD1 TYR A 108 -23.563 -6.859 -3.706 1.00 1.24 H new ATOM 0 HD2 TYR A 108 -22.851 -3.468 -1.167 1.00 0.93 H new ATOM 0 HE1 TYR A 108 -25.688 -5.836 -4.475 1.00 1.76 H new ATOM 0 HE2 TYR A 108 -24.974 -2.443 -1.939 1.00 1.51 H new ATOM 0 HH TYR A 108 -26.779 -2.642 -3.240 1.00 2.48 H new ATOM 1688 N GLU A 109 -20.863 -8.986 -1.170 1.00 0.01 N ATOM 1689 CA GLU A 109 -19.720 -9.944 -0.997 1.00 0.01 C ATOM 1690 C GLU A 109 -19.091 -10.243 -2.357 1.00 0.01 C ATOM 1691 O GLU A 109 -19.784 -10.493 -3.323 1.00 0.01 O ATOM 1692 CB GLU A 109 -20.271 -11.234 -0.384 1.00 0.01 C ATOM 1693 CG GLU A 109 -19.111 -12.167 -0.027 1.00 0.01 C ATOM 1694 CD GLU A 109 -19.662 -13.480 0.528 1.00 0.00 C ATOM 1695 OE1 GLU A 109 -20.380 -14.151 -0.196 1.00 0.00 O ATOM 1696 OE2 GLU A 109 -19.358 -13.793 1.668 1.00 0.00 O ATOM 0 H GLU A 109 -21.638 -9.348 -1.725 1.00 0.01 H new ATOM 0 HA GLU A 109 -18.958 -9.514 -0.347 1.00 0.01 H new ATOM 0 HB2 GLU A 109 -20.855 -11.005 0.508 1.00 0.01 H new ATOM 0 HB3 GLU A 109 -20.943 -11.725 -1.088 1.00 0.01 H new ATOM 0 HG2 GLU A 109 -18.502 -12.361 -0.910 1.00 0.01 H new ATOM 0 HG3 GLU A 109 -18.463 -11.693 0.710 1.00 0.01 H new ATOM 1703 N THR A 110 -17.779 -10.214 -2.451 1.00 0.01 N ATOM 1704 CA THR A 110 -17.132 -10.494 -3.766 1.00 0.00 C ATOM 1705 C THR A 110 -15.759 -11.152 -3.584 1.00 0.01 C ATOM 1706 O THR A 110 -15.032 -10.907 -2.627 1.00 0.01 O ATOM 1707 CB THR A 110 -16.958 -9.189 -4.546 1.00 1.21 C ATOM 1708 OG1 THR A 110 -16.417 -9.478 -5.827 1.00 1.65 O ATOM 1709 CG2 THR A 110 -16.007 -8.261 -3.786 1.00 1.69 C ATOM 0 H THR A 110 -17.140 -10.011 -1.682 1.00 0.01 H new ATOM 0 HA THR A 110 -17.777 -11.179 -4.316 1.00 0.00 H new ATOM 0 HB THR A 110 -17.925 -8.699 -4.659 1.00 1.21 H new ATOM 0 HG1 THR A 110 -16.306 -8.645 -6.331 1.00 1.65 H new ATOM 0 HG21 THR A 110 -15.884 -7.332 -4.342 1.00 1.69 H new ATOM 0 HG22 THR A 110 -16.421 -8.042 -2.802 1.00 1.69 H new ATOM 0 HG23 THR A 110 -15.038 -8.747 -3.672 1.00 1.69 H new ATOM 1717 N THR A 111 -15.419 -11.992 -4.529 1.00 0.00 N ATOM 1718 CA THR A 111 -14.112 -12.715 -4.515 1.00 0.01 C ATOM 1719 C THR A 111 -13.250 -12.258 -5.698 1.00 0.01 C ATOM 1720 O THR A 111 -12.222 -12.841 -5.984 1.00 0.01 O ATOM 1721 CB THR A 111 -14.367 -14.219 -4.626 1.00 0.01 C ATOM 1722 OG1 THR A 111 -15.289 -14.466 -5.679 1.00 0.01 O ATOM 1723 CG2 THR A 111 -14.942 -14.742 -3.310 1.00 0.01 C ATOM 0 H THR A 111 -16.010 -12.212 -5.331 1.00 0.00 H new ATOM 0 HA THR A 111 -13.589 -12.495 -3.584 1.00 0.01 H new ATOM 0 HB THR A 111 -13.428 -14.730 -4.837 1.00 0.01 H new ATOM 0 HG1 THR A 111 -15.452 -15.430 -5.752 1.00 0.01 H new ATOM 0 HG21 THR A 111 -15.123 -15.814 -3.392 1.00 0.01 H new ATOM 0 HG22 THR A 111 -14.233 -14.554 -2.503 1.00 0.01 H new ATOM 0 HG23 THR A 111 -15.881 -14.231 -3.095 1.00 0.01 H new ATOM 1731 N GLU A 112 -13.686 -11.245 -6.414 1.00 0.01 N ATOM 1732 CA GLU A 112 -12.923 -10.768 -7.621 1.00 0.01 C ATOM 1733 C GLU A 112 -12.538 -9.292 -7.487 1.00 0.01 C ATOM 1734 O GLU A 112 -13.092 -8.563 -6.689 1.00 0.01 O ATOM 1735 CB GLU A 112 -13.796 -10.942 -8.865 1.00 0.85 C ATOM 1736 CG GLU A 112 -14.363 -12.363 -8.894 1.00 1.61 C ATOM 1737 CD GLU A 112 -15.070 -12.605 -10.230 1.00 2.51 C ATOM 1738 OE1 GLU A 112 -15.308 -11.637 -10.934 1.00 3.07 O ATOM 1739 OE2 GLU A 112 -15.362 -13.753 -10.524 1.00 3.21 O ATOM 0 H GLU A 112 -14.541 -10.725 -6.215 1.00 0.01 H new ATOM 0 HA GLU A 112 -12.010 -11.357 -7.705 1.00 0.01 H new ATOM 0 HB2 GLU A 112 -14.608 -10.215 -8.857 1.00 0.85 H new ATOM 0 HB3 GLU A 112 -13.209 -10.755 -9.764 1.00 0.85 H new ATOM 0 HG2 GLU A 112 -13.561 -13.089 -8.759 1.00 1.61 H new ATOM 0 HG3 GLU A 112 -15.062 -12.503 -8.070 1.00 1.61 H new ATOM 1746 N ASP A 113 -11.604 -8.842 -8.285 1.00 0.01 N ATOM 1747 CA ASP A 113 -11.188 -7.410 -8.240 1.00 0.01 C ATOM 1748 C ASP A 113 -12.319 -6.529 -8.786 1.00 0.00 C ATOM 1749 O ASP A 113 -13.122 -6.962 -9.590 1.00 0.01 O ATOM 1750 CB ASP A 113 -9.944 -7.226 -9.115 1.00 0.01 C ATOM 1751 CG ASP A 113 -10.111 -8.018 -10.412 1.00 0.01 C ATOM 1752 OD1 ASP A 113 -11.226 -8.420 -10.699 1.00 0.00 O ATOM 1753 OD2 ASP A 113 -9.119 -8.207 -11.097 1.00 0.00 O ATOM 0 H ASP A 113 -11.108 -9.411 -8.971 1.00 0.01 H new ATOM 0 HA ASP A 113 -10.969 -7.125 -7.211 1.00 0.01 H new ATOM 0 HB2 ASP A 113 -9.796 -6.169 -9.338 1.00 0.01 H new ATOM 0 HB3 ASP A 113 -9.057 -7.566 -8.581 1.00 0.01 H new ATOM 1758 N CYS A 114 -12.366 -5.282 -8.372 1.00 0.01 N ATOM 1759 CA CYS A 114 -13.415 -4.338 -8.880 1.00 0.01 C ATOM 1760 C CYS A 114 -12.725 -3.066 -9.426 1.00 0.01 C ATOM 1761 O CYS A 114 -12.127 -2.337 -8.658 1.00 0.01 O ATOM 1762 CB CYS A 114 -14.324 -3.937 -7.718 1.00 0.01 C ATOM 1763 SG CYS A 114 -15.527 -2.711 -8.292 1.00 0.01 S ATOM 0 H CYS A 114 -11.717 -4.876 -7.698 1.00 0.01 H new ATOM 0 HA CYS A 114 -13.996 -4.818 -9.667 1.00 0.01 H new ATOM 0 HB2 CYS A 114 -14.840 -4.813 -7.326 1.00 0.01 H new ATOM 0 HB3 CYS A 114 -13.730 -3.526 -6.902 1.00 0.01 H new ATOM 0 HG CYS A 114 -16.570 -3.319 -8.774 1.00 0.01 H new ATOM 1769 N PRO A 115 -12.801 -2.762 -10.714 1.00 0.01 N ATOM 1770 CA PRO A 115 -12.152 -1.522 -11.231 1.00 0.01 C ATOM 1771 C PRO A 115 -12.955 -0.269 -10.848 1.00 0.01 C ATOM 1772 O PRO A 115 -12.395 0.792 -10.643 1.00 0.01 O ATOM 1773 CB PRO A 115 -12.161 -1.757 -12.751 1.00 0.01 C ATOM 1774 CG PRO A 115 -13.192 -2.862 -13.049 1.00 0.01 C ATOM 1775 CD PRO A 115 -13.502 -3.599 -11.733 1.00 0.01 C ATOM 0 HA PRO A 115 -11.156 -1.348 -10.825 1.00 0.01 H new ATOM 0 HB2 PRO A 115 -12.421 -0.839 -13.278 1.00 0.01 H new ATOM 0 HB3 PRO A 115 -11.171 -2.054 -13.098 1.00 0.01 H new ATOM 0 HG2 PRO A 115 -14.102 -2.430 -13.466 1.00 0.01 H new ATOM 0 HG3 PRO A 115 -12.800 -3.558 -13.791 1.00 0.01 H new ATOM 0 HD2 PRO A 115 -14.574 -3.655 -11.543 1.00 0.01 H new ATOM 0 HD3 PRO A 115 -13.127 -4.622 -11.744 1.00 0.01 H new ATOM 1783 N SER A 116 -14.258 -0.379 -10.768 1.00 0.01 N ATOM 1784 CA SER A 116 -15.100 0.804 -10.410 1.00 0.02 C ATOM 1785 C SER A 116 -16.253 0.348 -9.509 1.00 0.01 C ATOM 1786 O SER A 116 -17.171 -0.330 -9.935 1.00 0.00 O ATOM 1787 CB SER A 116 -15.658 1.434 -11.688 1.00 0.01 C ATOM 1788 OG SER A 116 -14.581 1.905 -12.487 1.00 0.01 O ATOM 0 H SER A 116 -14.777 -1.241 -10.936 1.00 0.01 H new ATOM 0 HA SER A 116 -14.497 1.541 -9.880 1.00 0.02 H new ATOM 0 HB2 SER A 116 -16.244 0.701 -12.243 1.00 0.01 H new ATOM 0 HB3 SER A 116 -16.329 2.257 -11.439 1.00 0.01 H new ATOM 0 HG SER A 116 -14.934 2.308 -13.308 1.00 0.01 H new ATOM 1794 N ILE A 117 -16.183 0.700 -8.252 1.00 0.01 N ATOM 1795 CA ILE A 117 -17.233 0.283 -7.278 1.00 0.01 C ATOM 1796 C ILE A 117 -18.586 0.897 -7.634 1.00 0.01 C ATOM 1797 O ILE A 117 -19.611 0.260 -7.495 1.00 0.00 O ATOM 1798 CB ILE A 117 -16.822 0.750 -5.882 1.00 0.57 C ATOM 1799 CG1 ILE A 117 -15.541 0.028 -5.471 1.00 1.44 C ATOM 1800 CG2 ILE A 117 -17.931 0.428 -4.879 1.00 0.93 C ATOM 1801 CD1 ILE A 117 -14.960 0.686 -4.221 1.00 1.83 C ATOM 0 H ILE A 117 -15.433 1.266 -7.855 1.00 0.01 H new ATOM 0 HA ILE A 117 -17.329 -0.802 -7.308 1.00 0.01 H new ATOM 0 HB ILE A 117 -16.653 1.827 -5.895 1.00 0.57 H new ATOM 0 HG12 ILE A 117 -15.751 -1.024 -5.276 1.00 1.44 H new ATOM 0 HG13 ILE A 117 -14.815 0.063 -6.283 1.00 1.44 H new ATOM 0 HG21 ILE A 117 -17.632 0.763 -3.886 1.00 0.93 H new ATOM 0 HG22 ILE A 117 -18.848 0.939 -5.174 1.00 0.93 H new ATOM 0 HG23 ILE A 117 -18.105 -0.648 -4.862 1.00 0.93 H new ATOM 0 HD11 ILE A 117 -14.046 0.169 -3.929 1.00 1.83 H new ATOM 0 HD12 ILE A 117 -14.734 1.731 -4.432 1.00 1.83 H new ATOM 0 HD13 ILE A 117 -15.685 0.628 -3.409 1.00 1.83 H new ATOM 1813 N MET A 118 -18.610 2.130 -8.059 1.00 0.02 N ATOM 1814 CA MET A 118 -19.919 2.761 -8.378 1.00 0.01 C ATOM 1815 C MET A 118 -20.540 2.079 -9.594 1.00 0.01 C ATOM 1816 O MET A 118 -21.734 1.883 -9.658 1.00 0.02 O ATOM 1817 CB MET A 118 -19.739 4.255 -8.658 1.00 0.24 C ATOM 1818 CG MET A 118 -21.106 4.907 -8.870 1.00 0.63 C ATOM 1819 SD MET A 118 -20.900 6.693 -9.082 1.00 1.20 S ATOM 1820 CE MET A 118 -22.633 7.085 -9.424 1.00 1.34 C ATOM 0 H MET A 118 -17.790 2.721 -8.198 1.00 0.02 H new ATOM 0 HA MET A 118 -20.581 2.643 -7.520 1.00 0.01 H new ATOM 0 HB2 MET A 118 -19.223 4.732 -7.824 1.00 0.24 H new ATOM 0 HB3 MET A 118 -19.116 4.397 -9.541 1.00 0.24 H new ATOM 0 HG2 MET A 118 -21.592 4.480 -9.747 1.00 0.63 H new ATOM 0 HG3 MET A 118 -21.753 4.704 -8.017 1.00 0.63 H new ATOM 0 HE1 MET A 118 -22.738 8.157 -9.589 1.00 1.34 H new ATOM 0 HE2 MET A 118 -22.959 6.547 -10.314 1.00 1.34 H new ATOM 0 HE3 MET A 118 -23.248 6.787 -8.575 1.00 1.34 H new ATOM 1830 N GLU A 119 -19.757 1.708 -10.559 1.00 0.01 N ATOM 1831 CA GLU A 119 -20.343 1.043 -11.752 1.00 0.02 C ATOM 1832 C GLU A 119 -20.844 -0.350 -11.372 1.00 0.02 C ATOM 1833 O GLU A 119 -21.848 -0.816 -11.873 1.00 0.01 O ATOM 1834 CB GLU A 119 -19.277 0.921 -12.845 1.00 0.30 C ATOM 1835 CG GLU A 119 -19.938 0.489 -14.155 1.00 0.99 C ATOM 1836 CD GLU A 119 -18.864 0.295 -15.226 1.00 1.69 C ATOM 1837 OE1 GLU A 119 -18.153 -0.696 -15.155 1.00 2.11 O ATOM 1838 OE2 GLU A 119 -18.769 1.142 -16.100 1.00 2.07 O ATOM 0 H GLU A 119 -18.745 1.834 -10.577 1.00 0.01 H new ATOM 0 HA GLU A 119 -21.178 1.638 -12.122 1.00 0.02 H new ATOM 0 HB2 GLU A 119 -18.768 1.875 -12.979 1.00 0.30 H new ATOM 0 HB3 GLU A 119 -18.520 0.194 -12.550 1.00 0.30 H new ATOM 0 HG2 GLU A 119 -20.492 -0.438 -14.007 1.00 0.99 H new ATOM 0 HG3 GLU A 119 -20.657 1.242 -14.478 1.00 0.99 H new ATOM 1845 N GLN A 120 -20.123 -1.042 -10.531 1.00 0.00 N ATOM 1846 CA GLN A 120 -20.525 -2.434 -10.169 1.00 0.01 C ATOM 1847 C GLN A 120 -21.629 -2.469 -9.104 1.00 0.01 C ATOM 1848 O GLN A 120 -22.571 -3.228 -9.214 1.00 0.01 O ATOM 1849 CB GLN A 120 -19.301 -3.183 -9.642 1.00 0.52 C ATOM 1850 CG GLN A 120 -19.699 -4.613 -9.269 1.00 1.07 C ATOM 1851 CD GLN A 120 -18.440 -5.446 -9.023 1.00 1.08 C ATOM 1852 OE1 GLN A 120 -17.337 -4.959 -9.171 1.00 0.98 O ATOM 1853 NE2 GLN A 120 -18.560 -6.691 -8.653 1.00 2.08 N ATOM 0 H GLN A 120 -19.273 -0.705 -10.079 1.00 0.00 H new ATOM 0 HA GLN A 120 -20.920 -2.907 -11.068 1.00 0.01 H new ATOM 0 HB2 GLN A 120 -18.517 -3.198 -10.399 1.00 0.52 H new ATOM 0 HB3 GLN A 120 -18.894 -2.669 -8.772 1.00 0.52 H new ATOM 0 HG2 GLN A 120 -20.324 -4.607 -8.376 1.00 1.07 H new ATOM 0 HG3 GLN A 120 -20.291 -5.057 -10.069 1.00 1.07 H new ATOM 0 HE21 GLN A 120 -19.487 -7.099 -8.529 1.00 2.08 H new ATOM 0 HE22 GLN A 120 -17.727 -7.256 -8.488 1.00 2.08 H new ATOM 1862 N PHE A 121 -21.485 -1.709 -8.041 1.00 0.02 N ATOM 1863 CA PHE A 121 -22.493 -1.762 -6.925 1.00 0.01 C ATOM 1864 C PHE A 121 -23.325 -0.481 -6.818 1.00 0.01 C ATOM 1865 O PHE A 121 -24.186 -0.371 -5.969 1.00 0.01 O ATOM 1866 CB PHE A 121 -21.753 -1.979 -5.605 1.00 0.01 C ATOM 1867 CG PHE A 121 -20.853 -3.186 -5.725 1.00 0.01 C ATOM 1868 CD1 PHE A 121 -19.555 -3.044 -6.230 1.00 0.01 C ATOM 1869 CD2 PHE A 121 -21.317 -4.447 -5.333 1.00 0.01 C ATOM 1870 CE1 PHE A 121 -18.721 -4.161 -6.342 1.00 0.01 C ATOM 1871 CE2 PHE A 121 -20.481 -5.566 -5.445 1.00 0.01 C ATOM 1872 CZ PHE A 121 -19.184 -5.422 -5.950 1.00 0.01 C ATOM 0 H PHE A 121 -20.716 -1.055 -7.896 1.00 0.02 H new ATOM 0 HA PHE A 121 -23.179 -2.582 -7.140 1.00 0.01 H new ATOM 0 HB2 PHE A 121 -21.164 -1.096 -5.357 1.00 0.01 H new ATOM 0 HB3 PHE A 121 -22.468 -2.124 -4.795 1.00 0.01 H new ATOM 0 HD1 PHE A 121 -19.197 -2.071 -6.533 1.00 0.01 H new ATOM 0 HD2 PHE A 121 -22.319 -4.557 -4.944 1.00 0.01 H new ATOM 0 HE1 PHE A 121 -17.720 -4.050 -6.731 1.00 0.01 H new ATOM 0 HE2 PHE A 121 -20.838 -6.539 -5.142 1.00 0.01 H new ATOM 0 HZ PHE A 121 -18.540 -6.285 -6.037 1.00 0.01 H new ATOM 1882 N HIS A 122 -23.084 0.490 -7.651 1.00 0.01 N ATOM 1883 CA HIS A 122 -23.873 1.750 -7.562 1.00 0.01 C ATOM 1884 C HIS A 122 -23.672 2.381 -6.180 1.00 0.01 C ATOM 1885 O HIS A 122 -24.564 2.999 -5.633 1.00 0.02 O ATOM 1886 CB HIS A 122 -25.357 1.441 -7.796 1.00 0.01 C ATOM 1887 CG HIS A 122 -25.489 0.403 -8.876 1.00 0.01 C ATOM 1888 ND1 HIS A 122 -26.300 -0.711 -8.735 1.00 0.01 N ATOM 1889 CD2 HIS A 122 -24.915 0.295 -10.119 1.00 0.01 C ATOM 1890 CE1 HIS A 122 -26.194 -1.434 -9.864 1.00 0.00 C ATOM 1891 NE2 HIS A 122 -25.362 -0.866 -10.742 1.00 0.01 N ATOM 0 H HIS A 122 -22.378 0.467 -8.387 1.00 0.01 H new ATOM 0 HA HIS A 122 -23.534 2.452 -8.324 1.00 0.01 H new ATOM 0 HB2 HIS A 122 -25.814 1.082 -6.874 1.00 0.01 H new ATOM 0 HB3 HIS A 122 -25.888 2.349 -8.083 1.00 0.01 H new ATOM 0 HD2 HIS A 122 -24.222 1.004 -10.548 1.00 0.01 H new ATOM 0 HE1 HIS A 122 -26.718 -2.362 -10.040 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -25.109 -1.209 -11.669 1.00 0.01 H new ATOM 1899 N LEU A 123 -22.494 2.228 -5.614 1.00 0.01 N ATOM 1900 CA LEU A 123 -22.205 2.814 -4.259 1.00 0.01 C ATOM 1901 C LEU A 123 -21.169 3.931 -4.417 1.00 0.02 C ATOM 1902 O LEU A 123 -20.190 3.785 -5.122 1.00 0.01 O ATOM 1903 CB LEU A 123 -21.644 1.710 -3.332 1.00 0.01 C ATOM 1904 CG LEU A 123 -22.780 1.027 -2.543 1.00 0.01 C ATOM 1905 CD1 LEU A 123 -22.319 -0.353 -2.061 1.00 0.01 C ATOM 1906 CD2 LEU A 123 -23.152 1.873 -1.316 1.00 0.01 C ATOM 0 H LEU A 123 -21.716 1.720 -6.034 1.00 0.01 H new ATOM 0 HA LEU A 123 -23.119 3.217 -3.822 1.00 0.01 H new ATOM 0 HB2 LEU A 123 -21.110 0.968 -3.925 1.00 0.01 H new ATOM 0 HB3 LEU A 123 -20.923 2.143 -2.639 1.00 0.01 H new ATOM 0 HG LEU A 123 -23.645 0.926 -3.198 1.00 0.01 H new ATOM 0 HD11 LEU A 123 -23.125 -0.832 -1.504 1.00 0.01 H new ATOM 0 HD12 LEU A 123 -22.056 -0.969 -2.921 1.00 0.01 H new ATOM 0 HD13 LEU A 123 -21.448 -0.241 -1.415 1.00 0.01 H new ATOM 0 HD21 LEU A 123 -23.955 1.382 -0.766 1.00 0.01 H new ATOM 0 HD22 LEU A 123 -22.281 1.979 -0.669 1.00 0.01 H new ATOM 0 HD23 LEU A 123 -23.485 2.859 -1.641 1.00 0.01 H new ATOM 1918 N ARG A 124 -21.381 5.050 -3.771 1.00 0.01 N ATOM 1919 CA ARG A 124 -20.415 6.184 -3.889 1.00 0.00 C ATOM 1920 C ARG A 124 -19.367 6.118 -2.773 1.00 0.01 C ATOM 1921 O ARG A 124 -18.291 6.671 -2.886 1.00 0.01 O ATOM 1922 CB ARG A 124 -21.172 7.510 -3.786 1.00 1.67 C ATOM 1923 CG ARG A 124 -22.008 7.720 -5.050 1.00 1.98 C ATOM 1924 CD ARG A 124 -22.771 9.041 -4.945 1.00 2.92 C ATOM 1925 NE ARG A 124 -23.807 8.935 -3.878 1.00 3.54 N ATOM 1926 CZ ARG A 124 -24.370 10.013 -3.408 1.00 4.57 C ATOM 1927 NH1 ARG A 124 -24.026 11.182 -3.873 1.00 5.25 N ATOM 1928 NH2 ARG A 124 -25.277 9.923 -2.474 1.00 5.32 N ATOM 0 H ARG A 124 -22.183 5.227 -3.166 1.00 0.01 H new ATOM 0 HA ARG A 124 -19.911 6.113 -4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -21.817 7.505 -2.907 1.00 1.67 H new ATOM 0 HB3 ARG A 124 -20.469 8.334 -3.661 1.00 1.67 H new ATOM 0 HG2 ARG A 124 -21.362 7.730 -5.928 1.00 1.98 H new ATOM 0 HG3 ARG A 124 -22.707 6.893 -5.178 1.00 1.98 H new ATOM 0 HD2 ARG A 124 -22.082 9.854 -4.717 1.00 2.92 H new ATOM 0 HD3 ARG A 124 -23.240 9.279 -5.900 1.00 2.92 H new ATOM 0 HE ARG A 124 -24.075 8.020 -3.516 1.00 3.54 H new ATOM 0 HH11 ARG A 124 -23.317 11.252 -4.603 1.00 5.25 H new ATOM 0 HH12 ARG A 124 -24.466 12.026 -3.506 1.00 5.25 H new ATOM 0 HH21 ARG A 124 -25.546 9.009 -2.111 1.00 5.32 H new ATOM 0 HH22 ARG A 124 -25.717 10.767 -2.107 1.00 5.32 H new ATOM 1942 N GLU A 125 -19.682 5.462 -1.681 1.00 0.01 N ATOM 1943 CA GLU A 125 -18.717 5.378 -0.541 1.00 0.01 C ATOM 1944 C GLU A 125 -18.902 4.050 0.204 1.00 0.01 C ATOM 1945 O GLU A 125 -19.916 3.392 0.079 1.00 0.01 O ATOM 1946 CB GLU A 125 -18.987 6.525 0.436 1.00 0.01 C ATOM 1947 CG GLU A 125 -18.850 7.862 -0.296 1.00 0.01 C ATOM 1948 CD GLU A 125 -18.817 9.001 0.724 1.00 0.02 C ATOM 1949 OE1 GLU A 125 -19.804 9.174 1.421 1.00 0.02 O ATOM 1950 OE2 GLU A 125 -17.805 9.681 0.790 1.00 0.01 O ATOM 0 H GLU A 125 -20.568 4.980 -1.531 1.00 0.01 H new ATOM 0 HA GLU A 125 -17.701 5.443 -0.931 1.00 0.01 H new ATOM 0 HB2 GLU A 125 -19.988 6.430 0.857 1.00 0.01 H new ATOM 0 HB3 GLU A 125 -18.285 6.481 1.269 1.00 0.01 H new ATOM 0 HG2 GLU A 125 -17.939 7.869 -0.895 1.00 0.01 H new ATOM 0 HG3 GLU A 125 -19.685 7.999 -0.984 1.00 0.01 H new ATOM 1957 N ILE A 126 -17.937 3.673 1.008 1.00 0.01 N ATOM 1958 CA ILE A 126 -18.050 2.405 1.809 1.00 0.01 C ATOM 1959 C ILE A 126 -17.673 2.740 3.255 1.00 0.01 C ATOM 1960 O ILE A 126 -16.672 3.386 3.493 1.00 0.01 O ATOM 1961 CB ILE A 126 -17.088 1.355 1.245 1.00 1.33 C ATOM 1962 CG1 ILE A 126 -17.664 0.828 -0.073 1.00 1.49 C ATOM 1963 CG2 ILE A 126 -16.934 0.194 2.239 1.00 2.17 C ATOM 1964 CD1 ILE A 126 -16.647 -0.085 -0.753 1.00 1.70 C ATOM 0 H ILE A 126 -17.069 4.190 1.147 1.00 0.01 H new ATOM 0 HA ILE A 126 -19.062 2.004 1.763 1.00 0.01 H new ATOM 0 HB ILE A 126 -16.109 1.804 1.077 1.00 1.33 H new ATOM 0 HG12 ILE A 126 -18.588 0.281 0.116 1.00 1.49 H new ATOM 0 HG13 ILE A 126 -17.915 1.661 -0.730 1.00 1.49 H new ATOM 0 HG21 ILE A 126 -16.248 -0.547 1.829 1.00 2.17 H new ATOM 0 HG22 ILE A 126 -16.538 0.572 3.182 1.00 2.17 H new ATOM 0 HG23 ILE A 126 -17.906 -0.268 2.413 1.00 2.17 H new ATOM 0 HD11 ILE A 126 -17.061 -0.457 -1.690 1.00 1.70 H new ATOM 0 HD12 ILE A 126 -15.734 0.475 -0.957 1.00 1.70 H new ATOM 0 HD13 ILE A 126 -16.418 -0.926 -0.098 1.00 1.70 H new ATOM 1976 N HIS A 127 -18.490 2.365 4.220 1.00 0.01 N ATOM 1977 CA HIS A 127 -18.181 2.747 5.645 1.00 0.01 C ATOM 1978 C HIS A 127 -17.715 1.562 6.499 1.00 0.01 C ATOM 1979 O HIS A 127 -17.178 1.754 7.573 1.00 0.01 O ATOM 1980 CB HIS A 127 -19.423 3.386 6.280 1.00 0.02 C ATOM 1981 CG HIS A 127 -19.615 4.780 5.745 1.00 0.01 C ATOM 1982 ND1 HIS A 127 -19.572 5.063 4.388 1.00 0.01 N ATOM 1983 CD2 HIS A 127 -19.855 5.979 6.371 1.00 0.01 C ATOM 1984 CE1 HIS A 127 -19.782 6.384 4.243 1.00 0.01 C ATOM 1985 NE2 HIS A 127 -19.960 6.990 5.421 1.00 0.02 N ATOM 0 H HIS A 127 -19.342 1.821 4.087 1.00 0.01 H new ATOM 0 HA HIS A 127 -17.354 3.457 5.615 1.00 0.01 H new ATOM 0 HB2 HIS A 127 -20.304 2.781 6.065 1.00 0.02 H new ATOM 0 HB3 HIS A 127 -19.313 3.416 7.364 1.00 0.02 H new ATOM 0 HD2 HIS A 127 -19.948 6.116 7.438 1.00 0.01 H new ATOM 0 HE1 HIS A 127 -19.804 6.893 3.291 1.00 0.01 H new ATOM 0 HE2 HIS A 127 -20.135 7.981 5.588 1.00 0.02 H new ATOM 1993 N SER A 128 -17.871 0.347 6.045 1.00 0.01 N ATOM 1994 CA SER A 128 -17.379 -0.808 6.861 1.00 0.01 C ATOM 1995 C SER A 128 -17.078 -1.968 5.915 1.00 0.01 C ATOM 1996 O SER A 128 -17.651 -2.073 4.855 1.00 0.01 O ATOM 1997 CB SER A 128 -18.460 -1.214 7.878 1.00 0.01 C ATOM 1998 OG SER A 128 -18.112 -0.702 9.154 1.00 0.01 O ATOM 0 H SER A 128 -18.311 0.103 5.158 1.00 0.01 H new ATOM 0 HA SER A 128 -16.476 -0.535 7.406 1.00 0.01 H new ATOM 0 HB2 SER A 128 -19.431 -0.827 7.569 1.00 0.01 H new ATOM 0 HB3 SER A 128 -18.548 -2.300 7.920 1.00 0.01 H new ATOM 0 HG SER A 128 -17.801 0.223 9.062 1.00 0.01 H new ATOM 2004 N CYS A 129 -16.168 -2.837 6.258 1.00 0.01 N ATOM 2005 CA CYS A 129 -15.851 -3.953 5.332 1.00 0.01 C ATOM 2006 C CYS A 129 -15.131 -5.058 6.093 1.00 0.00 C ATOM 2007 O CYS A 129 -14.357 -4.806 6.995 1.00 0.01 O ATOM 2008 CB CYS A 129 -14.951 -3.431 4.216 1.00 0.69 C ATOM 2009 SG CYS A 129 -14.219 -4.815 3.307 1.00 1.22 S ATOM 0 H CYS A 129 -15.637 -2.822 7.129 1.00 0.01 H new ATOM 0 HA CYS A 129 -16.772 -4.352 4.907 1.00 0.01 H new ATOM 0 HB2 CYS A 129 -15.528 -2.804 3.536 1.00 0.69 H new ATOM 0 HB3 CYS A 129 -14.164 -2.805 4.636 1.00 0.69 H new ATOM 0 HG CYS A 129 -15.109 -5.749 3.148 1.00 1.22 H new ATOM 2015 N LYS A 130 -15.380 -6.289 5.729 1.00 0.01 N ATOM 2016 CA LYS A 130 -14.716 -7.432 6.420 1.00 0.01 C ATOM 2017 C LYS A 130 -13.942 -8.252 5.387 1.00 0.01 C ATOM 2018 O LYS A 130 -14.499 -8.922 4.547 1.00 0.01 O ATOM 2019 CB LYS A 130 -15.793 -8.307 7.113 1.00 0.55 C ATOM 2020 CG LYS A 130 -15.358 -8.671 8.541 1.00 0.80 C ATOM 2021 CD LYS A 130 -16.342 -9.683 9.131 1.00 0.29 C ATOM 2022 CE LYS A 130 -16.023 -9.907 10.610 1.00 0.33 C ATOM 2023 NZ LYS A 130 -16.278 -8.651 11.368 1.00 1.41 N ATOM 0 H LYS A 130 -16.019 -6.552 4.978 1.00 0.01 H new ATOM 0 HA LYS A 130 -14.023 -7.066 7.177 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -16.742 -7.771 7.142 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -15.958 -9.216 6.535 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -14.352 -9.090 8.531 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -15.324 -7.776 9.162 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -17.364 -9.319 9.020 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -16.279 -10.626 8.588 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -16.637 -10.715 11.007 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -14.983 -10.210 10.727 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -15.550 -8.534 12.101 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -16.247 -7.840 10.717 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -17.216 -8.700 11.816 1.00 1.41 H new ATOM 2037 N VAL A 131 -12.650 -8.201 5.479 1.00 0.01 N ATOM 2038 CA VAL A 131 -11.774 -8.973 4.563 1.00 0.01 C ATOM 2039 C VAL A 131 -11.169 -10.069 5.403 1.00 0.01 C ATOM 2040 O VAL A 131 -10.460 -9.781 6.354 1.00 0.01 O ATOM 2041 CB VAL A 131 -10.657 -8.067 4.032 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -9.809 -8.836 3.017 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -11.264 -6.837 3.357 1.00 0.01 C ATOM 0 H VAL A 131 -12.149 -7.641 6.169 1.00 0.01 H new ATOM 0 HA VAL A 131 -12.329 -9.368 3.712 1.00 0.01 H new ATOM 0 HB VAL A 131 -10.030 -7.750 4.865 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -9.016 -8.189 2.641 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -9.368 -9.709 3.498 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -10.438 -9.158 2.187 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -10.466 -6.197 2.982 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -11.897 -7.152 2.527 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -11.863 -6.284 4.080 1.00 0.01 H new ATOM 2053 N VAL A 132 -11.359 -11.329 5.046 1.00 0.01 N ATOM 2054 CA VAL A 132 -10.679 -12.398 5.848 1.00 0.01 C ATOM 2055 C VAL A 132 -10.303 -13.546 4.923 1.00 0.00 C ATOM 2056 O VAL A 132 -10.782 -14.649 5.074 1.00 0.01 O ATOM 2057 CB VAL A 132 -11.635 -12.915 6.926 1.00 1.22 C ATOM 2058 CG1 VAL A 132 -10.866 -13.798 7.910 1.00 1.00 C ATOM 2059 CG2 VAL A 132 -12.246 -11.730 7.679 1.00 1.98 C ATOM 0 H VAL A 132 -11.933 -11.649 4.265 1.00 0.01 H new ATOM 0 HA VAL A 132 -9.785 -11.990 6.320 1.00 0.01 H new ATOM 0 HB VAL A 132 -12.428 -13.497 6.457 1.00 1.22 H new ATOM 0 HG11 VAL A 132 -11.547 -14.166 8.677 1.00 1.00 H new ATOM 0 HG12 VAL A 132 -10.430 -14.643 7.377 1.00 1.00 H new ATOM 0 HG13 VAL A 132 -10.072 -13.216 8.378 1.00 1.00 H new ATOM 0 HG21 VAL A 132 -12.927 -12.099 8.446 1.00 1.98 H new ATOM 0 HG22 VAL A 132 -11.452 -11.148 8.147 1.00 1.98 H new ATOM 0 HG23 VAL A 132 -12.795 -11.099 6.980 1.00 1.98 H new ATOM 2069 N GLU A 133 -9.427 -13.307 4.001 1.00 0.01 N ATOM 2070 CA GLU A 133 -8.974 -14.385 3.081 1.00 0.01 C ATOM 2071 C GLU A 133 -8.015 -13.730 2.083 1.00 0.01 C ATOM 2072 O GLU A 133 -8.447 -12.968 1.235 1.00 0.01 O ATOM 2073 CB GLU A 133 -10.188 -15.050 2.364 1.00 0.00 C ATOM 2074 CG GLU A 133 -10.131 -16.578 2.518 1.00 0.00 C ATOM 2075 CD GLU A 133 -10.254 -16.956 3.996 1.00 0.00 C ATOM 2076 OE1 GLU A 133 -11.372 -17.023 4.480 1.00 0.00 O ATOM 2077 OE2 GLU A 133 -9.227 -17.170 4.620 1.00 0.00 O ATOM 0 H GLU A 133 -8.995 -12.397 3.839 1.00 0.01 H new ATOM 0 HA GLU A 133 -8.471 -15.185 3.625 1.00 0.01 H new ATOM 0 HB2 GLU A 133 -11.119 -14.670 2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -10.184 -14.784 1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -10.936 -17.040 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -9.193 -16.959 2.113 1.00 0.00 H new ATOM 2084 N GLY A 134 -6.743 -14.020 2.164 1.00 0.01 N ATOM 2085 CA GLY A 134 -5.771 -13.409 1.205 1.00 0.01 C ATOM 2086 C GLY A 134 -5.571 -11.921 1.528 1.00 0.01 C ATOM 2087 O GLY A 134 -6.067 -11.419 2.517 1.00 0.01 O ATOM 0 H GLY A 134 -6.334 -14.653 2.851 1.00 0.01 H new ATOM 0 HA2 GLY A 134 -4.816 -13.932 1.261 1.00 0.01 H new ATOM 0 HA3 GLY A 134 -6.137 -13.521 0.184 1.00 0.01 H new ATOM 2091 N THR A 135 -4.845 -11.214 0.689 1.00 0.01 N ATOM 2092 CA THR A 135 -4.595 -9.752 0.919 1.00 0.01 C ATOM 2093 C THR A 135 -5.356 -8.943 -0.143 1.00 0.01 C ATOM 2094 O THR A 135 -5.459 -9.347 -1.284 1.00 0.01 O ATOM 2095 CB THR A 135 -3.083 -9.471 0.798 1.00 1.43 C ATOM 2096 OG1 THR A 135 -2.517 -10.366 -0.149 1.00 1.92 O ATOM 2097 CG2 THR A 135 -2.392 -9.670 2.151 1.00 2.30 C ATOM 0 H THR A 135 -4.411 -11.592 -0.153 1.00 0.01 H new ATOM 0 HA THR A 135 -4.938 -9.466 1.913 1.00 0.01 H new ATOM 0 HB THR A 135 -2.940 -8.440 0.475 1.00 1.43 H new ATOM 0 HG1 THR A 135 -1.556 -10.191 -0.231 1.00 1.92 H new ATOM 0 HG21 THR A 135 -1.326 -9.468 2.048 1.00 2.30 H new ATOM 0 HG22 THR A 135 -2.822 -8.987 2.883 1.00 2.30 H new ATOM 0 HG23 THR A 135 -2.536 -10.697 2.485 1.00 2.30 H new ATOM 2105 N TRP A 136 -5.894 -7.804 0.234 1.00 0.01 N ATOM 2106 CA TRP A 136 -6.662 -6.953 -0.736 1.00 0.01 C ATOM 2107 C TRP A 136 -6.144 -5.511 -0.691 1.00 0.01 C ATOM 2108 O TRP A 136 -5.789 -5.005 0.350 1.00 0.00 O ATOM 2109 CB TRP A 136 -8.148 -6.964 -0.354 1.00 0.01 C ATOM 2110 CG TRP A 136 -8.767 -8.263 -0.757 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -8.726 -9.403 -0.031 1.00 0.01 C ATOM 2112 CD2 TRP A 136 -9.525 -8.573 -1.963 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -9.411 -10.392 -0.712 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -9.920 -9.930 -1.909 1.00 0.01 C ATOM 2115 CE3 TRP A 136 -9.902 -7.817 -3.087 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 -10.666 -10.516 -2.933 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 -10.653 -8.405 -4.119 1.00 0.01 C ATOM 2118 CH2 TRP A 136 -11.033 -9.751 -4.041 1.00 0.01 C ATOM 0 H TRP A 136 -5.833 -7.425 1.179 1.00 0.01 H new ATOM 0 HA TRP A 136 -6.532 -7.352 -1.742 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -8.257 -6.817 0.720 1.00 0.01 H new ATOM 0 HB3 TRP A 136 -8.664 -6.138 -0.843 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -8.238 -9.522 0.925 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -9.526 -11.347 -0.372 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -9.613 -6.779 -3.158 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 -10.957 -11.554 -2.868 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 -10.939 -7.816 -4.978 1.00 0.01 H new ATOM 0 HH2 TRP A 136 -11.610 -10.197 -4.838 1.00 0.01 H new ATOM 2129 N ILE A 137 -6.133 -4.830 -1.811 1.00 0.01 N ATOM 2130 CA ILE A 137 -5.681 -3.399 -1.838 1.00 0.00 C ATOM 2131 C ILE A 137 -6.862 -2.546 -2.302 1.00 0.01 C ATOM 2132 O ILE A 137 -7.591 -2.928 -3.191 1.00 0.01 O ATOM 2133 CB ILE A 137 -4.533 -3.226 -2.840 1.00 0.60 C ATOM 2134 CG1 ILE A 137 -3.417 -4.230 -2.524 1.00 1.32 C ATOM 2135 CG2 ILE A 137 -3.976 -1.799 -2.741 1.00 1.37 C ATOM 2136 CD1 ILE A 137 -2.193 -3.927 -3.395 1.00 1.69 C ATOM 0 H ILE A 137 -6.419 -5.205 -2.715 1.00 0.01 H new ATOM 0 HA ILE A 137 -5.338 -3.101 -0.847 1.00 0.00 H new ATOM 0 HB ILE A 137 -4.906 -3.403 -3.849 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -3.149 -4.171 -1.469 1.00 1.32 H new ATOM 0 HG13 ILE A 137 -3.765 -5.246 -2.709 1.00 1.32 H new ATOM 0 HG21 ILE A 137 -3.160 -1.677 -3.453 1.00 1.37 H new ATOM 0 HG22 ILE A 137 -4.766 -1.083 -2.968 1.00 1.37 H new ATOM 0 HG23 ILE A 137 -3.606 -1.622 -1.731 1.00 1.37 H new ATOM 0 HD11 ILE A 137 -1.401 -4.641 -3.170 1.00 1.69 H new ATOM 0 HD12 ILE A 137 -2.466 -4.008 -4.447 1.00 1.69 H new ATOM 0 HD13 ILE A 137 -1.841 -2.916 -3.188 1.00 1.69 H new ATOM 2148 N PHE A 138 -7.022 -1.369 -1.732 1.00 0.01 N ATOM 2149 CA PHE A 138 -8.128 -0.442 -2.161 1.00 0.01 C ATOM 2150 C PHE A 138 -7.477 0.791 -2.791 1.00 0.01 C ATOM 2151 O PHE A 138 -6.445 1.246 -2.341 1.00 0.00 O ATOM 2152 CB PHE A 138 -9.040 -0.086 -0.947 1.00 1.11 C ATOM 2153 CG PHE A 138 -8.732 1.267 -0.299 1.00 1.11 C ATOM 2154 CD1 PHE A 138 -8.881 2.474 -1.012 1.00 1.54 C ATOM 2155 CD2 PHE A 138 -8.336 1.310 1.045 1.00 1.46 C ATOM 2156 CE1 PHE A 138 -8.623 3.699 -0.386 1.00 2.35 C ATOM 2157 CE2 PHE A 138 -8.084 2.538 1.668 1.00 2.01 C ATOM 2158 CZ PHE A 138 -8.224 3.730 0.952 1.00 2.49 C ATOM 0 H PHE A 138 -6.430 -1.009 -0.983 1.00 0.01 H new ATOM 0 HA PHE A 138 -8.778 -0.915 -2.897 1.00 0.01 H new ATOM 0 HB2 PHE A 138 -10.079 -0.089 -1.276 1.00 1.11 H new ATOM 0 HB3 PHE A 138 -8.942 -0.867 -0.193 1.00 1.11 H new ATOM 0 HD1 PHE A 138 -9.195 2.453 -2.045 1.00 1.54 H new ATOM 0 HD2 PHE A 138 -8.225 0.392 1.602 1.00 1.46 H new ATOM 0 HE1 PHE A 138 -8.733 4.621 -0.938 1.00 2.35 H new ATOM 0 HE2 PHE A 138 -7.781 2.564 2.704 1.00 2.01 H new ATOM 0 HZ PHE A 138 -8.024 4.676 1.434 1.00 2.49 H new ATOM 2168 N TYR A 139 -8.082 1.337 -3.825 1.00 0.01 N ATOM 2169 CA TYR A 139 -7.517 2.553 -4.496 1.00 0.01 C ATOM 2170 C TYR A 139 -8.564 3.671 -4.472 1.00 0.01 C ATOM 2171 O TYR A 139 -9.760 3.424 -4.549 1.00 0.01 O ATOM 2172 CB TYR A 139 -7.154 2.218 -5.945 1.00 0.01 C ATOM 2173 CG TYR A 139 -6.388 0.915 -5.984 1.00 0.01 C ATOM 2174 CD1 TYR A 139 -7.077 -0.303 -6.003 1.00 0.01 C ATOM 2175 CD2 TYR A 139 -4.988 0.925 -5.996 1.00 0.01 C ATOM 2176 CE1 TYR A 139 -6.369 -1.510 -6.040 1.00 0.01 C ATOM 2177 CE2 TYR A 139 -4.279 -0.282 -6.033 1.00 0.02 C ATOM 2178 CZ TYR A 139 -4.970 -1.500 -6.052 1.00 0.02 C ATOM 2179 OH TYR A 139 -4.271 -2.690 -6.089 1.00 0.00 O ATOM 0 H TYR A 139 -8.949 0.988 -4.234 1.00 0.01 H new ATOM 0 HA TYR A 139 -6.620 2.880 -3.969 1.00 0.01 H new ATOM 0 HB2 TYR A 139 -8.058 2.139 -6.549 1.00 0.01 H new ATOM 0 HB3 TYR A 139 -6.553 3.019 -6.375 1.00 0.01 H new ATOM 0 HD1 TYR A 139 -8.157 -0.312 -5.989 1.00 0.01 H new ATOM 0 HD2 TYR A 139 -4.455 1.864 -5.977 1.00 0.01 H new ATOM 0 HE1 TYR A 139 -6.903 -2.449 -6.059 1.00 0.01 H new ATOM 0 HE2 TYR A 139 -3.199 -0.274 -6.047 1.00 0.02 H new ATOM 0 HH TYR A 139 -3.309 -2.504 -6.094 1.00 0.00 H new ATOM 2189 N GLU A 140 -8.125 4.893 -4.306 1.00 0.01 N ATOM 2190 CA GLU A 140 -9.078 6.036 -4.192 1.00 0.02 C ATOM 2191 C GLU A 140 -9.718 6.393 -5.539 1.00 0.01 C ATOM 2192 O GLU A 140 -10.832 6.877 -5.565 1.00 0.01 O ATOM 2193 CB GLU A 140 -8.294 7.244 -3.678 1.00 0.01 C ATOM 2194 CG GLU A 140 -9.260 8.395 -3.385 1.00 0.02 C ATOM 2195 CD GLU A 140 -8.511 9.528 -2.681 1.00 0.02 C ATOM 2196 OE1 GLU A 140 -7.802 10.253 -3.360 1.00 0.01 O ATOM 2197 OE2 GLU A 140 -8.658 9.653 -1.476 1.00 0.02 O ATOM 0 H GLU A 140 -7.139 5.149 -4.244 1.00 0.01 H new ATOM 0 HA GLU A 140 -9.883 5.754 -3.513 1.00 0.02 H new ATOM 0 HB2 GLU A 140 -7.746 6.977 -2.775 1.00 0.01 H new ATOM 0 HB3 GLU A 140 -7.557 7.554 -4.419 1.00 0.01 H new ATOM 0 HG2 GLU A 140 -9.700 8.759 -4.313 1.00 0.02 H new ATOM 0 HG3 GLU A 140 -10.080 8.044 -2.759 1.00 0.02 H new ATOM 2204 N LEU A 141 -9.050 6.185 -6.654 1.00 0.01 N ATOM 2205 CA LEU A 141 -9.664 6.545 -7.980 1.00 0.02 C ATOM 2206 C LEU A 141 -9.879 5.259 -8.803 1.00 0.01 C ATOM 2207 O LEU A 141 -9.173 4.281 -8.619 1.00 0.01 O ATOM 2208 CB LEU A 141 -8.695 7.486 -8.727 1.00 0.57 C ATOM 2209 CG LEU A 141 -8.891 8.942 -8.256 1.00 0.81 C ATOM 2210 CD1 LEU A 141 -7.620 9.750 -8.536 1.00 1.48 C ATOM 2211 CD2 LEU A 141 -10.067 9.595 -8.998 1.00 1.24 C ATOM 0 H LEU A 141 -8.113 5.785 -6.704 1.00 0.01 H new ATOM 0 HA LEU A 141 -10.623 7.041 -7.834 1.00 0.02 H new ATOM 0 HB2 LEU A 141 -7.666 7.175 -8.549 1.00 0.57 H new ATOM 0 HB3 LEU A 141 -8.867 7.418 -9.801 1.00 0.57 H new ATOM 0 HG LEU A 141 -9.102 8.932 -7.187 1.00 0.81 H new ATOM 0 HD11 LEU A 141 -7.761 10.778 -8.202 1.00 1.48 H new ATOM 0 HD12 LEU A 141 -6.781 9.306 -7.999 1.00 1.48 H new ATOM 0 HD13 LEU A 141 -7.412 9.741 -9.606 1.00 1.48 H new ATOM 0 HD21 LEU A 141 -10.190 10.622 -8.653 1.00 1.24 H new ATOM 0 HD22 LEU A 141 -9.867 9.594 -10.069 1.00 1.24 H new ATOM 0 HD23 LEU A 141 -10.980 9.033 -8.799 1.00 1.24 H new ATOM 2223 N PRO A 142 -10.842 5.253 -9.713 1.00 0.01 N ATOM 2224 CA PRO A 142 -11.115 4.044 -10.542 1.00 0.01 C ATOM 2225 C PRO A 142 -9.867 3.542 -11.275 1.00 0.01 C ATOM 2226 O PRO A 142 -8.864 4.219 -11.391 1.00 0.01 O ATOM 2227 CB PRO A 142 -12.192 4.542 -11.534 1.00 0.01 C ATOM 2228 CG PRO A 142 -12.416 6.047 -11.293 1.00 0.02 C ATOM 2229 CD PRO A 142 -11.720 6.431 -9.978 1.00 0.01 C ATOM 0 HA PRO A 142 -11.435 3.190 -9.944 1.00 0.01 H new ATOM 0 HB2 PRO A 142 -11.872 4.366 -12.561 1.00 0.01 H new ATOM 0 HB3 PRO A 142 -13.122 3.992 -11.391 1.00 0.01 H new ATOM 0 HG2 PRO A 142 -12.012 6.629 -12.121 1.00 0.02 H new ATOM 0 HG3 PRO A 142 -13.482 6.269 -11.238 1.00 0.02 H new ATOM 0 HD2 PRO A 142 -11.144 7.351 -10.079 1.00 0.01 H new ATOM 0 HD3 PRO A 142 -12.437 6.591 -9.172 1.00 0.01 H new ATOM 2237 N ASN A 143 -9.969 2.349 -11.790 1.00 0.01 N ATOM 2238 CA ASN A 143 -8.848 1.738 -12.557 1.00 0.01 C ATOM 2239 C ASN A 143 -7.591 1.617 -11.694 1.00 0.01 C ATOM 2240 O ASN A 143 -6.479 1.664 -12.180 1.00 0.01 O ATOM 2241 CB ASN A 143 -8.541 2.610 -13.779 1.00 0.23 C ATOM 2242 CG ASN A 143 -9.853 3.044 -14.437 1.00 0.11 C ATOM 2243 OD1 ASN A 143 -10.870 2.399 -14.273 1.00 0.75 O ATOM 2244 ND2 ASN A 143 -9.871 4.117 -15.181 1.00 0.56 N ATOM 0 H ASN A 143 -10.798 1.760 -11.710 1.00 0.01 H new ATOM 0 HA ASN A 143 -9.147 0.738 -12.870 1.00 0.01 H new ATOM 0 HB2 ASN A 143 -7.965 3.485 -13.479 1.00 0.23 H new ATOM 0 HB3 ASN A 143 -7.930 2.055 -14.491 1.00 0.23 H new ATOM 0 HD21 ASN A 143 -10.739 4.415 -15.625 1.00 0.56 H new ATOM 0 HD22 ASN A 143 -9.017 4.657 -15.318 1.00 0.56 H new ATOM 2251 N TYR A 144 -7.769 1.423 -10.417 1.00 0.01 N ATOM 2252 CA TYR A 144 -6.604 1.252 -9.502 1.00 0.02 C ATOM 2253 C TYR A 144 -5.665 2.464 -9.572 1.00 0.01 C ATOM 2254 O TYR A 144 -4.473 2.320 -9.760 1.00 0.01 O ATOM 2255 CB TYR A 144 -5.840 -0.025 -9.897 1.00 0.01 C ATOM 2256 CG TYR A 144 -6.815 -1.039 -10.459 1.00 0.01 C ATOM 2257 CD1 TYR A 144 -7.896 -1.470 -9.682 1.00 0.01 C ATOM 2258 CD2 TYR A 144 -6.642 -1.542 -11.757 1.00 0.01 C ATOM 2259 CE1 TYR A 144 -8.804 -2.401 -10.198 1.00 0.01 C ATOM 2260 CE2 TYR A 144 -7.552 -2.472 -12.273 1.00 0.01 C ATOM 2261 CZ TYR A 144 -8.633 -2.903 -11.495 1.00 0.01 C ATOM 2262 OH TYR A 144 -9.530 -3.820 -12.006 1.00 0.01 O ATOM 0 H TYR A 144 -8.681 1.375 -9.963 1.00 0.01 H new ATOM 0 HA TYR A 144 -6.969 1.168 -8.478 1.00 0.02 H new ATOM 0 HB2 TYR A 144 -5.075 0.210 -10.637 1.00 0.01 H new ATOM 0 HB3 TYR A 144 -5.327 -0.439 -9.029 1.00 0.01 H new ATOM 0 HD1 TYR A 144 -8.030 -1.083 -8.682 1.00 0.01 H new ATOM 0 HD2 TYR A 144 -5.807 -1.212 -12.358 1.00 0.01 H new ATOM 0 HE1 TYR A 144 -9.637 -2.733 -9.596 1.00 0.01 H new ATOM 0 HE2 TYR A 144 -7.420 -2.858 -13.273 1.00 0.01 H new ATOM 0 HH TYR A 144 -9.265 -4.063 -12.918 1.00 0.01 H new ATOM 2272 N ARG A 145 -6.196 3.655 -9.418 1.00 0.02 N ATOM 2273 CA ARG A 145 -5.334 4.886 -9.471 1.00 0.01 C ATOM 2274 C ARG A 145 -5.525 5.710 -8.197 1.00 0.01 C ATOM 2275 O ARG A 145 -6.465 5.505 -7.453 1.00 0.01 O ATOM 2276 CB ARG A 145 -5.742 5.739 -10.674 1.00 0.01 C ATOM 2277 CG ARG A 145 -5.305 5.048 -11.965 1.00 0.02 C ATOM 2278 CD ARG A 145 -5.739 5.891 -13.165 1.00 0.01 C ATOM 2279 NE ARG A 145 -7.228 5.938 -13.228 1.00 0.01 N ATOM 2280 CZ ARG A 145 -7.822 6.833 -13.969 1.00 0.01 C ATOM 2281 NH1 ARG A 145 -7.113 7.692 -14.648 1.00 0.02 N ATOM 2282 NH2 ARG A 145 -9.124 6.867 -14.032 1.00 0.01 N ATOM 0 H ARG A 145 -7.188 3.830 -9.258 1.00 0.02 H new ATOM 0 HA ARG A 145 -4.290 4.586 -9.560 1.00 0.01 H new ATOM 0 HB2 ARG A 145 -6.822 5.888 -10.677 1.00 0.01 H new ATOM 0 HB3 ARG A 145 -5.284 6.726 -10.605 1.00 0.01 H new ATOM 0 HG2 ARG A 145 -4.223 4.916 -11.972 1.00 0.02 H new ATOM 0 HG3 ARG A 145 -5.748 4.054 -12.026 1.00 0.02 H new ATOM 0 HD2 ARG A 145 -5.336 6.900 -13.079 1.00 0.01 H new ATOM 0 HD3 ARG A 145 -5.339 5.466 -14.085 1.00 0.01 H new ATOM 0 HE ARG A 145 -7.782 5.270 -12.692 1.00 0.01 H new ATOM 0 HH11 ARG A 145 -6.095 7.664 -14.600 1.00 0.02 H new ATOM 0 HH12 ARG A 145 -7.577 8.392 -15.227 1.00 0.02 H new ATOM 0 HH21 ARG A 145 -9.678 6.194 -13.502 1.00 0.01 H new ATOM 0 HH22 ARG A 145 -9.588 7.566 -14.611 1.00 0.01 H new ATOM 2296 N GLY A 146 -4.632 6.629 -7.923 1.00 0.01 N ATOM 2297 CA GLY A 146 -4.749 7.461 -6.689 1.00 0.02 C ATOM 2298 C GLY A 146 -4.020 6.775 -5.528 1.00 0.01 C ATOM 2299 O GLY A 146 -3.242 5.861 -5.719 1.00 0.02 O ATOM 0 H GLY A 146 -3.822 6.839 -8.506 1.00 0.01 H new ATOM 0 HA2 GLY A 146 -4.324 8.449 -6.864 1.00 0.02 H new ATOM 0 HA3 GLY A 146 -5.799 7.606 -6.436 1.00 0.02 H new ATOM 2303 N ARG A 147 -4.272 7.216 -4.328 1.00 0.01 N ATOM 2304 CA ARG A 147 -3.602 6.602 -3.144 1.00 0.01 C ATOM 2305 C ARG A 147 -4.117 5.175 -2.972 1.00 0.01 C ATOM 2306 O ARG A 147 -5.277 4.878 -3.198 1.00 0.01 O ATOM 2307 CB ARG A 147 -3.935 7.428 -1.900 1.00 0.01 C ATOM 2308 CG ARG A 147 -3.122 6.913 -0.710 1.00 0.01 C ATOM 2309 CD ARG A 147 -3.386 7.799 0.509 1.00 0.01 C ATOM 2310 NE ARG A 147 -2.797 9.148 0.282 1.00 0.02 N ATOM 2311 CZ ARG A 147 -3.147 10.151 1.040 1.00 0.02 C ATOM 2312 NH1 ARG A 147 -4.015 9.972 1.998 1.00 0.01 N ATOM 2313 NH2 ARG A 147 -2.630 11.331 0.840 1.00 0.02 N ATOM 0 H ARG A 147 -4.915 7.978 -4.113 1.00 0.01 H new ATOM 0 HA ARG A 147 -2.522 6.584 -3.287 1.00 0.01 H new ATOM 0 HB2 ARG A 147 -3.711 8.480 -2.079 1.00 0.01 H new ATOM 0 HB3 ARG A 147 -5.001 7.362 -1.681 1.00 0.01 H new ATOM 0 HG2 ARG A 147 -3.395 5.881 -0.489 1.00 0.01 H new ATOM 0 HG3 ARG A 147 -2.059 6.917 -0.953 1.00 0.01 H new ATOM 0 HD2 ARG A 147 -4.458 7.884 0.684 1.00 0.01 H new ATOM 0 HD3 ARG A 147 -2.952 7.347 1.401 1.00 0.01 H new ATOM 0 HE ARG A 147 -2.119 9.288 -0.467 1.00 0.02 H new ATOM 0 HH11 ARG A 147 -4.419 9.049 2.154 1.00 0.01 H new ATOM 0 HH12 ARG A 147 -4.289 10.755 2.591 1.00 0.01 H new ATOM 0 HH21 ARG A 147 -1.952 11.470 0.091 1.00 0.02 H new ATOM 0 HH22 ARG A 147 -2.904 12.115 1.433 1.00 0.02 H new ATOM 2327 N GLN A 148 -3.230 4.281 -2.604 1.00 0.01 N ATOM 2328 CA GLN A 148 -3.591 2.841 -2.438 1.00 0.01 C ATOM 2329 C GLN A 148 -3.349 2.423 -0.979 1.00 0.01 C ATOM 2330 O GLN A 148 -2.456 2.924 -0.324 1.00 0.01 O ATOM 2331 CB GLN A 148 -2.668 2.018 -3.366 1.00 0.00 C ATOM 2332 CG GLN A 148 -2.274 2.854 -4.594 1.00 0.02 C ATOM 2333 CD GLN A 148 -1.825 1.929 -5.730 1.00 0.02 C ATOM 2334 OE1 GLN A 148 -2.167 2.146 -6.876 1.00 0.02 O ATOM 2335 NE2 GLN A 148 -1.070 0.900 -5.459 1.00 0.01 N ATOM 0 H GLN A 148 -2.252 4.496 -2.408 1.00 0.01 H new ATOM 0 HA GLN A 148 -4.639 2.673 -2.688 1.00 0.01 H new ATOM 0 HB2 GLN A 148 -1.774 1.711 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 148 -3.177 1.108 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 148 -3.120 3.460 -4.919 1.00 0.02 H new ATOM 0 HG3 GLN A 148 -1.470 3.542 -4.334 1.00 0.02 H new ATOM 0 HE21 GLN A 148 -0.783 0.717 -4.497 1.00 0.01 H new ATOM 0 HE22 GLN A 148 -0.767 0.278 -6.209 1.00 0.01 H new ATOM 2344 N TYR A 149 -4.132 1.503 -0.478 1.00 0.01 N ATOM 2345 CA TYR A 149 -3.964 1.019 0.933 1.00 0.01 C ATOM 2346 C TYR A 149 -3.902 -0.517 0.926 1.00 0.01 C ATOM 2347 O TYR A 149 -4.596 -1.157 0.162 1.00 0.01 O ATOM 2348 CB TYR A 149 -5.159 1.493 1.775 1.00 0.01 C ATOM 2349 CG TYR A 149 -4.727 1.754 3.208 1.00 0.01 C ATOM 2350 CD1 TYR A 149 -4.348 0.686 4.029 1.00 0.01 C ATOM 2351 CD2 TYR A 149 -4.705 3.062 3.709 1.00 0.01 C ATOM 2352 CE1 TYR A 149 -3.950 0.924 5.350 1.00 0.01 C ATOM 2353 CE2 TYR A 149 -4.307 3.300 5.031 1.00 0.01 C ATOM 2354 CZ TYR A 149 -3.929 2.232 5.850 1.00 0.01 C ATOM 2355 OH TYR A 149 -3.537 2.466 7.153 1.00 0.01 O ATOM 0 H TYR A 149 -4.893 1.058 -0.991 1.00 0.01 H new ATOM 0 HA TYR A 149 -3.045 1.418 1.362 1.00 0.01 H new ATOM 0 HB2 TYR A 149 -5.578 2.402 1.344 1.00 0.01 H new ATOM 0 HB3 TYR A 149 -5.946 0.739 1.757 1.00 0.01 H new ATOM 0 HD1 TYR A 149 -4.363 -0.323 3.643 1.00 0.01 H new ATOM 0 HD2 TYR A 149 -4.995 3.887 3.076 1.00 0.01 H new ATOM 0 HE1 TYR A 149 -3.659 0.099 5.983 1.00 0.01 H new ATOM 0 HE2 TYR A 149 -4.292 4.308 5.417 1.00 0.01 H new ATOM 0 HH TYR A 149 -3.349 3.420 7.272 1.00 0.01 H new ATOM 2365 N LEU A 150 -3.092 -1.107 1.768 1.00 0.01 N ATOM 2366 CA LEU A 150 -2.997 -2.606 1.800 1.00 0.01 C ATOM 2367 C LEU A 150 -3.889 -3.143 2.930 1.00 0.01 C ATOM 2368 O LEU A 150 -3.726 -2.796 4.084 1.00 0.01 O ATOM 2369 CB LEU A 150 -1.528 -3.000 2.027 1.00 0.01 C ATOM 2370 CG LEU A 150 -1.252 -4.367 1.385 1.00 0.01 C ATOM 2371 CD1 LEU A 150 0.182 -4.800 1.691 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -2.237 -5.406 1.941 1.00 0.01 C ATOM 0 H LEU A 150 -2.492 -0.621 2.435 1.00 0.01 H new ATOM 0 HA LEU A 150 -3.338 -3.035 0.858 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -0.869 -2.246 1.597 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -1.313 -3.039 3.095 1.00 0.01 H new ATOM 0 HG LEU A 150 -1.381 -4.291 0.305 1.00 0.01 H new ATOM 0 HD11 LEU A 150 0.374 -5.771 1.234 1.00 0.01 H new ATOM 0 HD12 LEU A 150 0.878 -4.065 1.288 1.00 0.01 H new ATOM 0 HD13 LEU A 150 0.317 -4.874 2.770 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -2.039 -6.376 1.484 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -2.114 -5.482 3.021 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -3.258 -5.099 1.713 1.00 0.01 H new ATOM 2384 N LEU A 151 -4.832 -3.992 2.598 1.00 0.01 N ATOM 2385 CA LEU A 151 -5.752 -4.570 3.625 1.00 0.01 C ATOM 2386 C LEU A 151 -5.362 -6.018 3.933 1.00 0.01 C ATOM 2387 O LEU A 151 -5.121 -6.808 3.041 1.00 0.01 O ATOM 2388 CB LEU A 151 -7.183 -4.549 3.084 1.00 0.01 C ATOM 2389 CG LEU A 151 -7.494 -3.173 2.487 1.00 0.01 C ATOM 2390 CD1 LEU A 151 -8.981 -3.103 2.129 1.00 0.01 C ATOM 2391 CD2 LEU A 151 -7.158 -2.077 3.511 1.00 0.01 C ATOM 0 H LEU A 151 -5.004 -4.313 1.645 1.00 0.01 H new ATOM 0 HA LEU A 151 -5.681 -3.977 4.537 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -7.305 -5.321 2.324 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -7.887 -4.775 3.885 1.00 0.01 H new ATOM 0 HG LEU A 151 -6.894 -3.021 1.590 1.00 0.01 H new ATOM 0 HD11 LEU A 151 -9.207 -2.125 1.704 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -9.217 -3.879 1.401 1.00 0.01 H new ATOM 0 HD13 LEU A 151 -9.579 -3.255 3.027 1.00 0.01 H new ATOM 0 HD21 LEU A 151 -7.380 -1.099 3.084 1.00 0.01 H new ATOM 0 HD22 LEU A 151 -7.756 -2.224 4.411 1.00 0.01 H new ATOM 0 HD23 LEU A 151 -6.100 -2.129 3.766 1.00 0.01 H new ATOM 2403 N ASP A 152 -5.337 -6.378 5.190 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.001 -7.783 5.579 1.00 0.01 C ATOM 2405 C ASP A 152 -6.284 -8.459 6.066 1.00 0.00 C ATOM 2406 O ASP A 152 -7.305 -7.820 6.201 1.00 0.01 O ATOM 2407 CB ASP A 152 -3.971 -7.768 6.712 1.00 1.04 C ATOM 2408 CG ASP A 152 -2.629 -7.270 6.174 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -1.895 -8.076 5.628 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -2.359 -6.089 6.318 1.00 2.27 O ATOM 0 H ASP A 152 -5.537 -5.754 5.972 1.00 0.01 H new ATOM 0 HA ASP A 152 -4.585 -8.323 4.729 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -4.313 -7.122 7.520 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -3.859 -8.769 7.129 1.00 1.04 H new ATOM 2415 N LYS A 153 -6.250 -9.738 6.334 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.488 -10.416 6.813 1.00 0.01 C ATOM 2417 C LYS A 153 -7.954 -9.730 8.102 1.00 0.01 C ATOM 2418 O LYS A 153 -7.630 -10.162 9.191 1.00 0.01 O ATOM 2419 CB LYS A 153 -7.193 -11.896 7.083 1.00 0.38 C ATOM 2420 CG LYS A 153 -5.807 -12.036 7.721 1.00 0.71 C ATOM 2421 CD LYS A 153 -5.651 -13.443 8.299 1.00 0.72 C ATOM 2422 CE LYS A 153 -4.185 -13.688 8.658 1.00 1.09 C ATOM 2423 NZ LYS A 153 -3.349 -13.576 7.431 1.00 1.84 N ATOM 0 H LYS A 153 -5.428 -10.336 6.243 1.00 0.01 H new ATOM 0 HA LYS A 153 -8.270 -10.348 6.056 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -7.952 -12.314 7.744 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -7.235 -12.461 6.152 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -5.032 -11.849 6.978 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -5.680 -11.292 8.508 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -6.277 -13.555 9.184 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -5.988 -14.185 7.575 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -3.856 -12.963 9.403 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -4.068 -14.677 9.102 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -2.510 -14.183 7.526 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -3.903 -13.878 6.605 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -3.049 -12.588 7.304 1.00 1.84 H new ATOM 2437 N LYS A 154 -8.687 -8.646 7.987 1.00 0.00 N ATOM 2438 CA LYS A 154 -9.148 -7.905 9.210 1.00 0.01 C ATOM 2439 C LYS A 154 -10.614 -7.474 9.086 1.00 0.01 C ATOM 2440 O LYS A 154 -11.206 -7.511 8.023 1.00 0.00 O ATOM 2441 CB LYS A 154 -8.269 -6.663 9.389 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.649 -5.934 10.688 1.00 0.48 C ATOM 2443 CD LYS A 154 -7.495 -5.028 11.128 1.00 0.97 C ATOM 2444 CE LYS A 154 -7.989 -4.056 12.202 1.00 1.44 C ATOM 2445 NZ LYS A 154 -8.850 -3.016 11.571 1.00 2.28 N ATOM 0 H LYS A 154 -8.987 -8.241 7.100 1.00 0.00 H new ATOM 0 HA LYS A 154 -9.064 -8.568 10.071 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -7.218 -6.952 9.418 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -8.392 -5.994 8.537 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -9.551 -5.341 10.533 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.874 -6.659 11.471 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -6.674 -5.630 11.517 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -7.107 -4.475 10.273 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -8.551 -4.595 12.965 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -7.141 -3.588 12.702 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -8.502 -2.072 11.833 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -8.820 -3.121 10.537 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -9.829 -3.129 11.902 1.00 2.28 H new ATOM 2459 N GLU A 155 -11.185 -7.024 10.180 1.00 0.01 N ATOM 2460 CA GLU A 155 -12.600 -6.533 10.180 1.00 0.01 C ATOM 2461 C GLU A 155 -12.583 -5.019 10.442 1.00 0.01 C ATOM 2462 O GLU A 155 -12.237 -4.575 11.518 1.00 0.01 O ATOM 2463 CB GLU A 155 -13.392 -7.246 11.286 1.00 0.01 C ATOM 2464 CG GLU A 155 -12.495 -7.470 12.509 1.00 0.01 C ATOM 2465 CD GLU A 155 -11.561 -8.656 12.258 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -11.609 -9.202 11.168 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -10.811 -8.996 13.159 1.00 0.01 O ATOM 0 H GLU A 155 -10.721 -6.976 11.087 1.00 0.01 H new ATOM 0 HA GLU A 155 -13.074 -6.741 9.221 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -14.260 -6.650 11.566 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -13.766 -8.202 10.919 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -11.911 -6.572 12.712 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -13.107 -7.658 13.391 1.00 0.01 H new ATOM 2474 N TYR A 156 -12.934 -4.221 9.462 1.00 0.00 N ATOM 2475 CA TYR A 156 -12.916 -2.734 9.649 1.00 0.01 C ATOM 2476 C TYR A 156 -14.333 -2.221 9.911 1.00 0.01 C ATOM 2477 O TYR A 156 -15.209 -2.358 9.079 1.00 0.01 O ATOM 2478 CB TYR A 156 -12.354 -2.084 8.383 1.00 0.01 C ATOM 2479 CG TYR A 156 -10.946 -2.577 8.146 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -9.871 -1.970 8.804 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -10.719 -3.644 7.269 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -8.567 -2.429 8.584 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -9.415 -4.103 7.050 1.00 0.01 C ATOM 2484 CZ TYR A 156 -8.340 -3.496 7.707 1.00 0.01 C ATOM 2485 OH TYR A 156 -7.056 -3.950 7.491 1.00 0.01 O ATOM 0 H TYR A 156 -13.233 -4.535 8.539 1.00 0.00 H new ATOM 0 HA TYR A 156 -12.290 -2.480 10.505 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -12.984 -2.325 7.527 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -12.358 -0.999 8.486 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -10.047 -1.148 9.481 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -11.549 -4.113 6.762 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -7.736 -1.960 9.091 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -9.239 -4.926 6.373 1.00 0.01 H new ATOM 0 HH TYR A 156 -7.075 -4.696 6.856 1.00 0.01 H new ATOM 2495 N ARG A 157 -14.584 -1.670 11.075 1.00 0.01 N ATOM 2496 CA ARG A 157 -15.966 -1.195 11.397 1.00 0.01 C ATOM 2497 C ARG A 157 -16.148 0.284 11.042 1.00 0.00 C ATOM 2498 O ARG A 157 -17.253 0.722 10.795 1.00 0.01 O ATOM 2499 CB ARG A 157 -16.221 -1.381 12.893 1.00 0.01 C ATOM 2500 CG ARG A 157 -15.056 -0.785 13.686 1.00 0.01 C ATOM 2501 CD ARG A 157 -15.416 -0.755 15.173 1.00 0.00 C ATOM 2502 NE ARG A 157 -16.585 0.144 15.384 1.00 0.01 N ATOM 2503 CZ ARG A 157 -17.249 0.095 16.505 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -16.886 -0.741 17.440 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -18.275 0.881 16.694 1.00 0.01 N ATOM 0 H ARG A 157 -13.894 -1.529 11.813 1.00 0.01 H new ATOM 0 HA ARG A 157 -16.673 -1.779 10.808 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -17.155 -0.895 13.177 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -16.329 -2.440 13.126 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -14.155 -1.378 13.531 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -14.839 0.223 13.333 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -15.650 -1.761 15.522 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -14.565 -0.405 15.757 1.00 0.00 H new ATOM 0 HE ARG A 157 -16.866 0.797 14.652 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -16.084 -1.354 17.293 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -17.404 -0.781 18.318 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -18.558 1.535 15.964 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -18.793 0.841 17.572 1.00 0.01 H new ATOM 2519 N LYS A 158 -15.093 1.067 11.016 1.00 0.01 N ATOM 2520 CA LYS A 158 -15.230 2.522 10.667 1.00 0.01 C ATOM 2521 C LYS A 158 -14.268 2.845 9.511 1.00 0.01 C ATOM 2522 O LYS A 158 -13.243 2.208 9.380 1.00 0.01 O ATOM 2523 CB LYS A 158 -14.854 3.362 11.895 1.00 0.58 C ATOM 2524 CG LYS A 158 -16.032 3.402 12.874 1.00 0.97 C ATOM 2525 CD LYS A 158 -15.616 4.153 14.140 1.00 1.44 C ATOM 2526 CE LYS A 158 -16.840 4.361 15.033 1.00 2.13 C ATOM 2527 NZ LYS A 158 -16.399 4.828 16.378 1.00 2.54 N ATOM 0 H LYS A 158 -14.142 0.762 11.221 1.00 0.01 H new ATOM 0 HA LYS A 158 -16.254 2.747 10.368 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -13.977 2.937 12.383 1.00 0.58 H new ATOM 0 HB3 LYS A 158 -14.589 4.374 11.588 1.00 0.58 H new ATOM 0 HG2 LYS A 158 -16.887 3.894 12.411 1.00 0.97 H new ATOM 0 HG3 LYS A 158 -16.345 2.389 13.125 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -14.853 3.589 14.676 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -15.176 5.115 13.877 1.00 1.44 H new ATOM 0 HE2 LYS A 158 -17.511 5.093 14.584 1.00 2.13 H new ATOM 0 HE3 LYS A 158 -17.399 3.430 15.125 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 -17.231 4.970 16.986 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 -15.775 4.115 16.806 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 -15.883 5.726 16.282 1.00 2.54 H new ATOM 2541 N PRO A 159 -14.554 3.838 8.693 1.00 0.01 N ATOM 2542 CA PRO A 159 -13.623 4.193 7.582 1.00 0.02 C ATOM 2543 C PRO A 159 -12.252 4.603 8.136 1.00 0.01 C ATOM 2544 O PRO A 159 -11.226 4.225 7.605 1.00 0.01 O ATOM 2545 CB PRO A 159 -14.352 5.363 6.898 1.00 0.41 C ATOM 2546 CG PRO A 159 -15.511 5.802 7.811 1.00 0.70 C ATOM 2547 CD PRO A 159 -15.788 4.665 8.806 1.00 0.28 C ATOM 0 HA PRO A 159 -13.411 3.373 6.896 1.00 0.02 H new ATOM 0 HB2 PRO A 159 -13.666 6.193 6.728 1.00 0.41 H new ATOM 0 HB3 PRO A 159 -14.730 5.058 5.922 1.00 0.41 H new ATOM 0 HG2 PRO A 159 -15.252 6.718 8.342 1.00 0.70 H new ATOM 0 HG3 PRO A 159 -16.401 6.017 7.220 1.00 0.70 H new ATOM 0 HD2 PRO A 159 -15.936 5.038 9.819 1.00 0.28 H new ATOM 0 HD3 PRO A 159 -16.682 4.101 8.540 1.00 0.28 H new ATOM 2555 N VAL A 160 -12.213 5.369 9.186 1.00 0.01 N ATOM 2556 CA VAL A 160 -10.895 5.777 9.743 1.00 0.02 C ATOM 2557 C VAL A 160 -10.135 4.518 10.164 1.00 0.02 C ATOM 2558 O VAL A 160 -8.928 4.527 10.299 1.00 0.02 O ATOM 2559 CB VAL A 160 -11.114 6.682 10.958 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -9.764 7.203 11.457 1.00 0.86 C ATOM 2561 CG2 VAL A 160 -12.001 7.863 10.557 1.00 0.74 C ATOM 0 H VAL A 160 -13.029 5.729 9.681 1.00 0.01 H new ATOM 0 HA VAL A 160 -10.321 6.323 8.994 1.00 0.02 H new ATOM 0 HB VAL A 160 -11.599 6.115 11.753 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -9.920 7.847 12.322 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -9.132 6.362 11.740 1.00 0.86 H new ATOM 0 HG13 VAL A 160 -9.278 7.771 10.664 1.00 0.86 H new ATOM 0 HG21 VAL A 160 -12.159 8.509 11.420 1.00 0.74 H new ATOM 0 HG22 VAL A 160 -11.515 8.430 9.763 1.00 0.74 H new ATOM 0 HG23 VAL A 160 -12.962 7.492 10.201 1.00 0.74 H new ATOM 2571 N ASP A 161 -10.825 3.429 10.368 1.00 0.00 N ATOM 2572 CA ASP A 161 -10.117 2.184 10.768 1.00 0.01 C ATOM 2573 C ASP A 161 -9.212 1.719 9.621 1.00 0.01 C ATOM 2574 O ASP A 161 -8.315 0.920 9.807 1.00 0.01 O ATOM 2575 CB ASP A 161 -11.137 1.089 11.087 1.00 0.00 C ATOM 2576 CG ASP A 161 -10.442 -0.058 11.822 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -9.221 -0.073 11.839 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -11.141 -0.904 12.356 1.00 0.00 O ATOM 0 H ASP A 161 -11.838 3.349 10.276 1.00 0.00 H new ATOM 0 HA ASP A 161 -9.512 2.383 11.653 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -11.941 1.494 11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -11.592 0.722 10.167 1.00 0.00 H new ATOM 2583 N TRP A 162 -9.431 2.233 8.433 1.00 0.01 N ATOM 2584 CA TRP A 162 -8.573 1.845 7.269 1.00 0.01 C ATOM 2585 C TRP A 162 -7.461 2.897 7.131 1.00 0.01 C ATOM 2586 O TRP A 162 -6.730 2.903 6.162 1.00 0.01 O ATOM 2587 CB TRP A 162 -9.414 1.872 5.960 1.00 0.01 C ATOM 2588 CG TRP A 162 -9.764 0.506 5.428 1.00 0.02 C ATOM 2589 CD1 TRP A 162 -9.017 -0.630 5.513 1.00 0.01 C ATOM 2590 CD2 TRP A 162 -10.951 0.149 4.662 1.00 0.01 C ATOM 2591 NE1 TRP A 162 -9.692 -1.652 4.868 1.00 0.01 N ATOM 2592 CE2 TRP A 162 -10.885 -1.222 4.328 1.00 0.01 C ATOM 2593 CE3 TRP A 162 -12.076 0.881 4.240 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 -11.897 -1.845 3.595 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 -13.094 0.257 3.501 1.00 0.01 C ATOM 2596 CH2 TRP A 162 -13.004 -1.102 3.179 1.00 0.01 C ATOM 0 H TRP A 162 -10.168 2.905 8.220 1.00 0.01 H new ATOM 0 HA TRP A 162 -8.168 0.846 7.429 1.00 0.01 H new ATOM 0 HB2 TRP A 162 -10.335 2.426 6.143 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -8.860 2.417 5.196 1.00 0.01 H new ATOM 0 HD1 TRP A 162 -8.058 -0.718 6.002 1.00 0.01 H new ATOM 0 HE1 TRP A 162 -9.347 -2.610 4.800 1.00 0.01 H new ATOM 0 HE3 TRP A 162 -12.157 1.929 4.486 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 -11.824 -2.895 3.351 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 -13.952 0.829 3.179 1.00 0.01 H new ATOM 0 HH2 TRP A 162 -13.790 -1.576 2.609 1.00 0.01 H new ATOM 2607 N GLY A 163 -7.313 3.775 8.078 1.00 0.02 N ATOM 2608 CA GLY A 163 -6.236 4.791 7.965 1.00 0.01 C ATOM 2609 C GLY A 163 -6.653 5.874 6.970 1.00 0.01 C ATOM 2610 O GLY A 163 -5.854 6.683 6.544 1.00 0.01 O ATOM 0 H GLY A 163 -7.886 3.834 8.920 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -6.039 5.236 8.940 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -5.310 4.319 7.637 1.00 0.01 H new ATOM 2614 N ALA A 164 -7.901 5.873 6.574 1.00 0.01 N ATOM 2615 CA ALA A 164 -8.387 6.876 5.577 1.00 0.02 C ATOM 2616 C ALA A 164 -9.119 8.012 6.287 1.00 0.01 C ATOM 2617 O ALA A 164 -9.839 7.809 7.245 1.00 0.02 O ATOM 2618 CB ALA A 164 -9.377 6.191 4.633 1.00 0.01 C ATOM 0 H ALA A 164 -8.609 5.216 6.901 1.00 0.01 H new ATOM 0 HA ALA A 164 -7.533 7.275 5.029 1.00 0.02 H new ATOM 0 HB1 ALA A 164 -9.739 6.912 3.900 1.00 0.01 H new ATOM 0 HB2 ALA A 164 -8.880 5.369 4.118 1.00 0.01 H new ATOM 0 HB3 ALA A 164 -10.218 5.803 5.207 1.00 0.01 H new ATOM 2624 N ALA A 165 -8.940 9.209 5.806 1.00 0.02 N ATOM 2625 CA ALA A 165 -9.618 10.381 6.421 1.00 0.01 C ATOM 2626 C ALA A 165 -11.033 10.524 5.854 1.00 0.02 C ATOM 2627 O ALA A 165 -11.820 11.312 6.339 1.00 0.01 O ATOM 2628 CB ALA A 165 -8.828 11.655 6.112 1.00 0.59 C ATOM 0 H ALA A 165 -8.347 9.427 5.005 1.00 0.02 H new ATOM 0 HA ALA A 165 -9.670 10.230 7.499 1.00 0.01 H new ATOM 0 HB1 ALA A 165 -9.328 12.512 6.564 1.00 0.59 H new ATOM 0 HB2 ALA A 165 -7.821 11.566 6.519 1.00 0.59 H new ATOM 0 HB3 ALA A 165 -8.772 11.796 5.033 1.00 0.59 H new ATOM 2634 N SER A 166 -11.384 9.761 4.844 1.00 0.01 N ATOM 2635 CA SER A 166 -12.764 9.847 4.267 1.00 0.01 C ATOM 2636 C SER A 166 -13.207 8.436 3.827 1.00 0.02 C ATOM 2637 O SER A 166 -12.376 7.628 3.460 1.00 0.01 O ATOM 2638 CB SER A 166 -12.750 10.778 3.052 1.00 0.72 C ATOM 2639 OG SER A 166 -12.340 10.047 1.904 1.00 0.87 O ATOM 0 H SER A 166 -10.772 9.081 4.394 1.00 0.01 H new ATOM 0 HA SER A 166 -13.456 10.238 5.013 1.00 0.01 H new ATOM 0 HB2 SER A 166 -13.742 11.201 2.893 1.00 0.72 H new ATOM 0 HB3 SER A 166 -12.071 11.613 3.227 1.00 0.72 H new ATOM 0 HG SER A 166 -12.332 10.640 1.124 1.00 0.87 H new ATOM 2645 N PRO A 167 -14.490 8.123 3.838 1.00 0.02 N ATOM 2646 CA PRO A 167 -14.953 6.766 3.402 1.00 0.01 C ATOM 2647 C PRO A 167 -14.931 6.607 1.874 1.00 0.01 C ATOM 2648 O PRO A 167 -15.639 5.783 1.317 1.00 0.01 O ATOM 2649 CB PRO A 167 -16.397 6.751 3.926 1.00 0.38 C ATOM 2650 CG PRO A 167 -16.837 8.214 4.084 1.00 0.35 C ATOM 2651 CD PRO A 167 -15.569 9.059 4.286 1.00 0.22 C ATOM 0 HA PRO A 167 -14.323 5.957 3.772 1.00 0.01 H new ATOM 0 HB2 PRO A 167 -17.053 6.225 3.232 1.00 0.38 H new ATOM 0 HB3 PRO A 167 -16.455 6.226 4.880 1.00 0.38 H new ATOM 0 HG2 PRO A 167 -17.383 8.547 3.202 1.00 0.35 H new ATOM 0 HG3 PRO A 167 -17.509 8.322 4.935 1.00 0.35 H new ATOM 0 HD2 PRO A 167 -15.589 9.972 3.691 1.00 0.22 H new ATOM 0 HD3 PRO A 167 -15.441 9.359 5.326 1.00 0.22 H new ATOM 2659 N ALA A 168 -14.161 7.411 1.189 1.00 0.01 N ATOM 2660 CA ALA A 168 -14.147 7.324 -0.299 1.00 0.01 C ATOM 2661 C ALA A 168 -13.218 6.209 -0.794 1.00 0.01 C ATOM 2662 O ALA A 168 -12.041 6.157 -0.495 1.00 0.02 O ATOM 2663 CB ALA A 168 -13.669 8.656 -0.877 1.00 0.18 C ATOM 0 H ALA A 168 -13.546 8.118 1.592 1.00 0.01 H new ATOM 0 HA ALA A 168 -15.161 7.098 -0.630 1.00 0.01 H new ATOM 0 HB1 ALA A 168 -13.657 8.597 -1.965 1.00 0.18 H new ATOM 0 HB2 ALA A 168 -14.345 9.452 -0.564 1.00 0.18 H new ATOM 0 HB3 ALA A 168 -12.664 8.870 -0.514 1.00 0.18 H new ATOM 2669 N ILE A 169 -13.787 5.325 -1.567 1.00 0.01 N ATOM 2670 CA ILE A 169 -13.035 4.177 -2.151 1.00 0.01 C ATOM 2671 C ILE A 169 -13.654 3.889 -3.518 1.00 0.01 C ATOM 2672 O ILE A 169 -14.857 3.745 -3.630 1.00 0.01 O ATOM 2673 CB ILE A 169 -13.197 2.959 -1.231 1.00 1.81 C ATOM 2674 CG1 ILE A 169 -12.753 3.343 0.188 1.00 2.75 C ATOM 2675 CG2 ILE A 169 -12.354 1.780 -1.745 1.00 2.24 C ATOM 2676 CD1 ILE A 169 -12.683 2.097 1.074 1.00 3.99 C ATOM 0 H ILE A 169 -14.773 5.352 -1.826 1.00 0.01 H new ATOM 0 HA ILE A 169 -11.973 4.399 -2.252 1.00 0.01 H new ATOM 0 HB ILE A 169 -14.243 2.652 -1.220 1.00 1.81 H new ATOM 0 HG12 ILE A 169 -11.778 3.829 0.153 1.00 2.75 H new ATOM 0 HG13 ILE A 169 -13.452 4.062 0.614 1.00 2.75 H new ATOM 0 HG21 ILE A 169 -12.481 0.925 -1.081 1.00 2.24 H new ATOM 0 HG22 ILE A 169 -12.680 1.510 -2.750 1.00 2.24 H new ATOM 0 HG23 ILE A 169 -11.303 2.068 -1.769 1.00 2.24 H new ATOM 0 HD11 ILE A 169 -12.367 2.382 2.078 1.00 3.99 H new ATOM 0 HD12 ILE A 169 -13.666 1.629 1.122 1.00 3.99 H new ATOM 0 HD13 ILE A 169 -11.966 1.392 0.654 1.00 3.99 H new ATOM 2688 N GLN A 170 -12.861 3.845 -4.571 1.00 0.01 N ATOM 2689 CA GLN A 170 -13.428 3.616 -5.943 1.00 0.01 C ATOM 2690 C GLN A 170 -13.013 2.264 -6.541 1.00 0.02 C ATOM 2691 O GLN A 170 -13.660 1.793 -7.455 1.00 0.01 O ATOM 2692 CB GLN A 170 -12.955 4.735 -6.874 1.00 2.62 C ATOM 2693 CG GLN A 170 -13.460 6.081 -6.349 1.00 3.39 C ATOM 2694 CD GLN A 170 -14.965 6.190 -6.596 1.00 4.36 C ATOM 2695 OE1 GLN A 170 -15.444 5.844 -7.658 1.00 4.83 O ATOM 2696 NE2 GLN A 170 -15.738 6.658 -5.653 1.00 5.17 N ATOM 0 H GLN A 170 -11.848 3.958 -4.537 1.00 0.01 H new ATOM 0 HA GLN A 170 -14.514 3.613 -5.847 1.00 0.01 H new ATOM 0 HB2 GLN A 170 -11.867 4.740 -6.931 1.00 2.62 H new ATOM 0 HB3 GLN A 170 -13.326 4.564 -7.884 1.00 2.62 H new ATOM 0 HG2 GLN A 170 -13.248 6.171 -5.284 1.00 3.39 H new ATOM 0 HG3 GLN A 170 -12.938 6.897 -6.848 1.00 3.39 H new ATOM 0 HE21 GLN A 170 -15.336 6.948 -4.762 1.00 5.17 H new ATOM 0 HE22 GLN A 170 -16.743 6.733 -5.808 1.00 5.17 H new ATOM 2705 N SER A 171 -11.974 1.606 -6.086 1.00 0.01 N ATOM 2706 CA SER A 171 -11.631 0.293 -6.727 1.00 0.01 C ATOM 2707 C SER A 171 -10.783 -0.556 -5.774 1.00 0.01 C ATOM 2708 O SER A 171 -10.175 -0.052 -4.852 1.00 0.01 O ATOM 2709 CB SER A 171 -10.843 0.548 -8.015 1.00 0.01 C ATOM 2710 OG SER A 171 -9.459 0.644 -7.707 1.00 0.02 O ATOM 0 H SER A 171 -11.365 1.906 -5.325 1.00 0.01 H new ATOM 0 HA SER A 171 -12.553 -0.242 -6.955 1.00 0.01 H new ATOM 0 HB2 SER A 171 -11.014 -0.260 -8.726 1.00 0.01 H new ATOM 0 HB3 SER A 171 -11.187 1.467 -8.489 1.00 0.01 H new ATOM 0 HG SER A 171 -9.088 1.454 -8.116 1.00 0.02 H new ATOM 2716 N PHE A 172 -10.712 -1.845 -6.011 1.00 0.01 N ATOM 2717 CA PHE A 172 -9.868 -2.716 -5.136 1.00 0.01 C ATOM 2718 C PHE A 172 -9.388 -3.950 -5.907 1.00 0.01 C ATOM 2719 O PHE A 172 -9.994 -4.371 -6.873 1.00 0.01 O ATOM 2720 CB PHE A 172 -10.638 -3.136 -3.874 1.00 1.06 C ATOM 2721 CG PHE A 172 -12.011 -3.679 -4.212 1.00 0.75 C ATOM 2722 CD1 PHE A 172 -12.143 -4.938 -4.810 1.00 0.75 C ATOM 2723 CD2 PHE A 172 -13.156 -2.935 -3.894 1.00 1.29 C ATOM 2724 CE1 PHE A 172 -13.416 -5.450 -5.094 1.00 1.16 C ATOM 2725 CE2 PHE A 172 -14.427 -3.449 -4.174 1.00 2.02 C ATOM 2726 CZ PHE A 172 -14.557 -4.707 -4.775 1.00 1.92 C ATOM 0 H PHE A 172 -11.198 -2.327 -6.767 1.00 0.01 H new ATOM 0 HA PHE A 172 -8.996 -2.140 -4.826 1.00 0.01 H new ATOM 0 HB2 PHE A 172 -10.069 -3.894 -3.336 1.00 1.06 H new ATOM 0 HB3 PHE A 172 -10.739 -2.280 -3.207 1.00 1.06 H new ATOM 0 HD1 PHE A 172 -11.263 -5.515 -5.053 1.00 0.75 H new ATOM 0 HD2 PHE A 172 -13.057 -1.964 -3.432 1.00 1.29 H new ATOM 0 HE1 PHE A 172 -13.516 -6.419 -5.560 1.00 1.16 H new ATOM 0 HE2 PHE A 172 -15.308 -2.875 -3.927 1.00 2.02 H new ATOM 0 HZ PHE A 172 -15.538 -5.103 -4.992 1.00 1.92 H new ATOM 2736 N ARG A 173 -8.279 -4.524 -5.499 1.00 0.01 N ATOM 2737 CA ARG A 173 -7.729 -5.716 -6.223 1.00 0.01 C ATOM 2738 C ARG A 173 -7.098 -6.698 -5.229 1.00 0.01 C ATOM 2739 O ARG A 173 -6.594 -6.320 -4.191 1.00 0.01 O ATOM 2740 CB ARG A 173 -6.633 -5.259 -7.197 1.00 0.01 C ATOM 2741 CG ARG A 173 -7.249 -4.573 -8.418 1.00 0.01 C ATOM 2742 CD ARG A 173 -6.157 -3.821 -9.182 1.00 0.01 C ATOM 2743 NE ARG A 173 -4.919 -4.649 -9.228 1.00 0.01 N ATOM 2744 CZ ARG A 173 -3.967 -4.353 -10.071 1.00 0.01 C ATOM 2745 NH1 ARG A 173 -4.100 -3.333 -10.874 1.00 0.01 N ATOM 2746 NH2 ARG A 173 -2.884 -5.078 -10.110 1.00 0.01 N ATOM 0 H ARG A 173 -7.731 -4.218 -4.695 1.00 0.01 H new ATOM 0 HA ARG A 173 -8.545 -6.202 -6.758 1.00 0.01 H new ATOM 0 HB2 ARG A 173 -5.953 -4.573 -6.692 1.00 0.01 H new ATOM 0 HB3 ARG A 173 -6.041 -6.117 -7.515 1.00 0.01 H new ATOM 0 HG2 ARG A 173 -7.718 -5.313 -9.066 1.00 0.01 H new ATOM 0 HG3 ARG A 173 -8.031 -3.882 -8.105 1.00 0.01 H new ATOM 0 HD2 ARG A 173 -6.495 -3.598 -10.194 1.00 0.01 H new ATOM 0 HD3 ARG A 173 -5.951 -2.867 -8.697 1.00 0.01 H new ATOM 0 HE ARG A 173 -4.815 -5.447 -8.601 1.00 0.01 H new ATOM 0 HH11 ARG A 173 -4.948 -2.767 -10.843 1.00 0.01 H new ATOM 0 HH12 ARG A 173 -3.356 -3.102 -11.532 1.00 0.01 H new ATOM 0 HH21 ARG A 173 -2.781 -5.875 -9.482 1.00 0.01 H new ATOM 0 HH22 ARG A 173 -2.140 -4.848 -10.768 1.00 0.01 H new ATOM 2760 N ARG A 174 -7.119 -7.962 -5.560 1.00 0.01 N ATOM 2761 CA ARG A 174 -6.514 -8.992 -4.665 1.00 0.01 C ATOM 2762 C ARG A 174 -5.026 -9.144 -5.002 1.00 0.01 C ATOM 2763 O ARG A 174 -4.637 -9.095 -6.153 1.00 0.01 O ATOM 2764 CB ARG A 174 -7.211 -10.337 -4.882 1.00 0.01 C ATOM 2765 CG ARG A 174 -6.987 -10.803 -6.322 1.00 0.01 C ATOM 2766 CD ARG A 174 -7.926 -11.971 -6.632 1.00 0.01 C ATOM 2767 NE ARG A 174 -7.509 -12.619 -7.907 1.00 0.01 N ATOM 2768 CZ ARG A 174 -7.967 -13.801 -8.218 1.00 0.01 C ATOM 2769 NH1 ARG A 174 -8.788 -14.416 -7.411 1.00 0.01 N ATOM 2770 NH2 ARG A 174 -7.606 -14.368 -9.335 1.00 0.01 N ATOM 0 H ARG A 174 -7.532 -8.328 -6.418 1.00 0.01 H new ATOM 0 HA ARG A 174 -6.632 -8.681 -3.627 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -6.820 -11.078 -4.184 1.00 0.01 H new ATOM 0 HB3 ARG A 174 -8.278 -10.242 -4.681 1.00 0.01 H new ATOM 0 HG2 ARG A 174 -7.171 -9.981 -7.014 1.00 0.01 H new ATOM 0 HG3 ARG A 174 -5.950 -11.110 -6.459 1.00 0.01 H new ATOM 0 HD2 ARG A 174 -7.903 -12.696 -5.819 1.00 0.01 H new ATOM 0 HD3 ARG A 174 -8.953 -11.615 -6.712 1.00 0.01 H new ATOM 0 HE ARG A 174 -6.866 -12.139 -8.537 1.00 0.01 H new ATOM 0 HH11 ARG A 174 -9.072 -13.973 -6.537 1.00 0.01 H new ATOM 0 HH12 ARG A 174 -9.146 -15.340 -7.654 1.00 0.01 H new ATOM 0 HH21 ARG A 174 -6.965 -13.888 -9.967 1.00 0.01 H new ATOM 0 HH22 ARG A 174 -7.964 -15.292 -9.577 1.00 0.01 H new ATOM 2784 N ILE A 175 -4.190 -9.348 -4.013 1.00 0.01 N ATOM 2785 CA ILE A 175 -2.730 -9.527 -4.298 1.00 0.01 C ATOM 2786 C ILE A 175 -2.429 -11.020 -4.441 1.00 0.00 C ATOM 2787 O ILE A 175 -2.779 -11.813 -3.588 1.00 0.01 O ATOM 2788 CB ILE A 175 -1.871 -8.963 -3.160 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -2.345 -7.556 -2.786 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -0.412 -8.897 -3.619 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -1.397 -6.963 -1.735 1.00 3.04 C ATOM 0 H ILE A 175 -4.451 -9.398 -3.028 1.00 0.01 H new ATOM 0 HA ILE A 175 -2.492 -8.992 -5.217 1.00 0.01 H new ATOM 0 HB ILE A 175 -1.962 -9.612 -2.289 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -2.368 -6.920 -3.671 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -3.362 -7.594 -2.395 1.00 2.51 H new ATOM 0 HG21 ILE A 175 0.205 -8.497 -2.814 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -0.066 -9.898 -3.878 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -0.334 -8.249 -4.492 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.732 -5.961 -1.467 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -1.397 -7.595 -0.847 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -0.388 -6.911 -2.143 1.00 3.04 H new ATOM 2803 N VAL A 176 -1.787 -11.417 -5.512 1.00 0.01 N ATOM 2804 CA VAL A 176 -1.462 -12.864 -5.714 1.00 0.00 C ATOM 2805 C VAL A 176 -0.021 -13.001 -6.208 1.00 0.01 C ATOM 2806 O VAL A 176 0.479 -12.162 -6.933 1.00 0.00 O ATOM 2807 CB VAL A 176 -2.400 -13.460 -6.763 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -3.803 -13.603 -6.170 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -2.455 -12.536 -7.982 1.00 1.89 C ATOM 0 H VAL A 176 -1.472 -10.798 -6.259 1.00 0.01 H new ATOM 0 HA VAL A 176 -1.582 -13.391 -4.768 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.031 -14.440 -7.065 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -4.472 -14.028 -6.918 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -3.766 -14.260 -5.301 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -4.172 -12.623 -5.868 1.00 1.88 H new ATOM 0 HG21 VAL A 176 -3.124 -12.961 -8.731 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -2.824 -11.556 -7.679 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -1.456 -12.432 -8.405 1.00 1.89 H new ATOM 2819 N GLU A 177 0.651 -14.051 -5.823 1.00 0.01 N ATOM 2820 CA GLU A 177 2.059 -14.247 -6.268 1.00 0.01 C ATOM 2821 C GLU A 177 2.143 -14.061 -7.784 1.00 0.01 C ATOM 2822 CB GLU A 177 2.516 -15.660 -5.900 1.00 2.15 C ATOM 2823 CG GLU A 177 1.571 -16.683 -6.532 1.00 3.19 C ATOM 2824 CD GLU A 177 1.950 -18.088 -6.061 1.00 4.20 C ATOM 2825 OE1 GLU A 177 3.125 -18.314 -5.823 1.00 4.89 O ATOM 2826 OE2 GLU A 177 1.058 -18.913 -5.946 1.00 4.77 O ATOM 0 H GLU A 177 0.284 -14.784 -5.217 1.00 0.01 H new ATOM 0 HA GLU A 177 2.703 -13.518 -5.776 1.00 0.01 H new ATOM 0 HB2 GLU A 177 3.535 -15.826 -6.249 1.00 2.15 H new ATOM 0 HB3 GLU A 177 2.527 -15.780 -4.817 1.00 2.15 H new ATOM 0 HG2 GLU A 177 0.540 -16.461 -6.255 1.00 3.19 H new ATOM 0 HG3 GLU A 177 1.629 -16.624 -7.619 1.00 3.19 H new TER 2833 GLU A 177