USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot -60:sc= 0.9 USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 HIS : no HD1:sc= -0.282 X(o=-1.1,f=-1.2) USER MOD Set 2.2: A 69 MET CE :methyl -129:sc= -0.793 (180deg=-1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0931 (180deg=-0.0284) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HE2:sc= 0.406 K(o=0.41,f=-1.3!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 171:sc= -0.0177 (180deg=-0.164) USER MOD Single : A 20 GLN : amide:sc= -0.0909 X(o=-0.091,f=-0.19) USER MOD Single : A 21 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.899 K(o=-0.9,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 0.165 (180deg=-0.903) USER MOD Single : A 31 LYS NZ :NH3+ -118:sc= 0.0928 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.476 K(o=-0.48,f=-4.7!) USER MOD Single : A 36 MET CE :methyl -154:sc= -1.56 (180deg=-1.83!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -2.03 K(o=-2,f=-0.25) USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.883 (180deg=-1.48) USER MOD Single : A 43 TYR OH : rot 30:sc= -0.45 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -175:sc= -1 (180deg=-1.07) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 0.315 (180deg=0.287) USER MOD Single : A 53 THR OG1 : rot -80:sc= -3.91! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 145:sc= 0.726 (180deg=-0.0896) USER MOD Single : A 75 MET CE :methyl -151:sc= -0.102 (180deg=-0.958) USER MOD Single : A 77 ASN : amide:sc= -0.0436 X(o=-0.044,f=-0.12) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 0.92 (180deg=0.891) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 165:sc= -0.0411 (180deg=-0.368) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 103 LYS NZ :NH3+ 159:sc= 0.486 (180deg=0.235) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 66:sc= 0.0384 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.610 9.944 18.064 1.00 22.33 N ATOM 2 CA MET A 1 -17.537 8.913 17.922 1.00 12.02 C ATOM 3 C MET A 1 -17.007 8.467 19.307 1.00 1.21 C ATOM 4 O MET A 1 -17.556 8.862 20.342 1.00 73.32 O ATOM 5 CB MET A 1 -16.379 9.468 17.043 1.00 13.14 C ATOM 6 CG MET A 1 -16.752 9.742 15.580 1.00 72.10 C ATOM 7 SD MET A 1 -15.349 10.361 14.619 1.00 4.33 S ATOM 8 CE MET A 1 -16.082 10.558 12.992 1.00 73.41 C ATOM 0 H1 MET A 1 -19.470 9.620 17.577 1.00 22.33 H new ATOM 0 H2 MET A 1 -18.818 10.092 19.072 1.00 22.33 H new ATOM 0 H3 MET A 1 -18.290 10.839 17.642 1.00 22.33 H new ATOM 0 HA MET A 1 -17.963 8.037 17.432 1.00 12.02 H new ATOM 0 HB2 MET A 1 -16.015 10.393 17.489 1.00 13.14 H new ATOM 0 HB3 MET A 1 -15.553 8.757 17.065 1.00 13.14 H new ATOM 0 HG2 MET A 1 -17.125 8.825 15.124 1.00 72.10 H new ATOM 0 HG3 MET A 1 -17.563 10.469 15.544 1.00 72.10 H new ATOM 0 HE1 MET A 1 -15.331 10.933 12.297 1.00 73.41 H new ATOM 0 HE2 MET A 1 -16.452 9.595 12.641 1.00 73.41 H new ATOM 0 HE3 MET A 1 -16.909 11.266 13.049 1.00 73.41 H new ATOM 20 N GLY A 2 -15.946 7.634 19.315 1.00 74.25 N ATOM 21 CA GLY A 2 -15.316 7.187 20.565 1.00 60.23 C ATOM 22 C GLY A 2 -14.194 6.175 20.357 1.00 42.41 C ATOM 23 O GLY A 2 -13.970 5.693 19.235 1.00 50.44 O ATOM 0 H GLY A 2 -15.512 7.261 18.471 1.00 74.25 H new ATOM 0 HA2 GLY A 2 -14.918 8.054 21.092 1.00 60.23 H new ATOM 0 HA3 GLY A 2 -16.077 6.745 21.208 1.00 60.23 H new ATOM 27 N SER A 3 -13.488 5.847 21.453 1.00 55.43 N ATOM 28 CA SER A 3 -12.370 4.874 21.440 1.00 23.25 C ATOM 29 C SER A 3 -12.887 3.418 21.559 1.00 40.34 C ATOM 30 O SER A 3 -12.711 2.759 22.589 1.00 23.15 O ATOM 31 CB SER A 3 -11.358 5.198 22.572 1.00 62.43 C ATOM 32 OG SER A 3 -10.845 6.521 22.450 1.00 44.43 O ATOM 0 H SER A 3 -13.672 6.245 22.374 1.00 55.43 H new ATOM 0 HA SER A 3 -11.857 4.961 20.482 1.00 23.25 H new ATOM 0 HB2 SER A 3 -11.845 5.083 23.541 1.00 62.43 H new ATOM 0 HB3 SER A 3 -10.535 4.483 22.542 1.00 62.43 H new ATOM 0 HG SER A 3 -10.212 6.695 23.178 1.00 44.43 H new ATOM 38 N HIS A 4 -13.581 2.944 20.507 1.00 33.13 N ATOM 39 CA HIS A 4 -13.969 1.521 20.375 1.00 11.33 C ATOM 40 C HIS A 4 -12.768 0.696 19.864 1.00 33.21 C ATOM 41 O HIS A 4 -12.431 0.741 18.675 1.00 44.13 O ATOM 42 CB HIS A 4 -15.201 1.350 19.434 1.00 43.13 C ATOM 43 CG HIS A 4 -16.537 1.460 20.126 1.00 53.34 C ATOM 44 ND1 HIS A 4 -17.132 0.393 20.764 1.00 33.12 N ATOM 45 CD2 HIS A 4 -17.406 2.491 20.255 1.00 5.02 C ATOM 46 CE1 HIS A 4 -18.295 0.760 21.253 1.00 25.21 C ATOM 47 NE2 HIS A 4 -18.489 2.026 20.959 1.00 71.34 N ATOM 0 H HIS A 4 -13.888 3.528 19.729 1.00 33.13 H new ATOM 0 HA HIS A 4 -14.260 1.152 21.359 1.00 11.33 H new ATOM 0 HB2 HIS A 4 -15.150 2.104 18.649 1.00 43.13 H new ATOM 0 HB3 HIS A 4 -15.138 0.377 18.946 1.00 43.13 H new ATOM 0 HD1 HIS A 4 -16.730 -0.541 20.844 1.00 33.12 H new ATOM 0 HD2 HIS A 4 -17.272 3.493 19.875 1.00 5.02 H new ATOM 0 HE1 HIS A 4 -18.976 0.128 21.803 1.00 25.21 H new ATOM 56 N GLN A 5 -12.126 -0.042 20.781 1.00 14.33 N ATOM 57 CA GLN A 5 -10.955 -0.888 20.463 1.00 73.24 C ATOM 58 C GLN A 5 -11.318 -2.038 19.497 1.00 53.03 C ATOM 59 O GLN A 5 -10.494 -2.436 18.690 1.00 55.33 O ATOM 60 CB GLN A 5 -10.331 -1.447 21.766 1.00 71.11 C ATOM 61 CG GLN A 5 -9.776 -0.361 22.708 1.00 60.54 C ATOM 62 CD GLN A 5 -9.146 -0.937 23.979 1.00 41.23 C ATOM 63 OE1 GLN A 5 -9.815 -1.118 24.993 1.00 22.03 O ATOM 64 NE2 GLN A 5 -7.863 -1.243 23.933 1.00 12.24 N ATOM 0 H GLN A 5 -12.399 -0.073 21.763 1.00 14.33 H new ATOM 0 HA GLN A 5 -10.221 -0.261 19.956 1.00 73.24 H new ATOM 0 HB2 GLN A 5 -11.085 -2.026 22.299 1.00 71.11 H new ATOM 0 HB3 GLN A 5 -9.526 -2.135 21.506 1.00 71.11 H new ATOM 0 HG2 GLN A 5 -9.030 0.229 22.175 1.00 60.54 H new ATOM 0 HG3 GLN A 5 -10.582 0.319 22.984 1.00 60.54 H new ATOM 0 HE21 GLN A 5 -7.331 -1.082 23.078 1.00 12.24 H new ATOM 0 HE22 GLN A 5 -7.404 -1.640 24.753 1.00 12.24 H new ATOM 73 N GLU A 6 -12.570 -2.530 19.578 1.00 23.13 N ATOM 74 CA GLU A 6 -13.092 -3.603 18.684 1.00 4.05 C ATOM 75 C GLU A 6 -13.093 -3.118 17.219 1.00 41.12 C ATOM 76 O GLU A 6 -12.741 -3.863 16.305 1.00 2.41 O ATOM 77 CB GLU A 6 -14.539 -4.051 19.064 1.00 52.35 C ATOM 78 CG GLU A 6 -14.804 -4.310 20.565 1.00 1.12 C ATOM 79 CD GLU A 6 -15.094 -3.026 21.373 1.00 63.22 C ATOM 80 OE1 GLU A 6 -16.213 -2.489 21.252 1.00 44.14 O ATOM 81 OE2 GLU A 6 -14.209 -2.545 22.114 1.00 34.05 O ATOM 0 H GLU A 6 -13.253 -2.201 20.261 1.00 23.13 H new ATOM 0 HA GLU A 6 -12.430 -4.460 18.806 1.00 4.05 H new ATOM 0 HB2 GLU A 6 -15.235 -3.286 18.721 1.00 52.35 H new ATOM 0 HB3 GLU A 6 -14.771 -4.963 18.513 1.00 52.35 H new ATOM 0 HG2 GLU A 6 -15.650 -4.990 20.664 1.00 1.12 H new ATOM 0 HG3 GLU A 6 -13.939 -4.813 20.997 1.00 1.12 H new ATOM 88 N TYR A 7 -13.508 -1.848 17.038 1.00 61.43 N ATOM 89 CA TYR A 7 -13.500 -1.160 15.730 1.00 3.22 C ATOM 90 C TYR A 7 -12.069 -1.072 15.156 1.00 33.13 C ATOM 91 O TYR A 7 -11.846 -1.384 13.988 1.00 42.25 O ATOM 92 CB TYR A 7 -14.129 0.252 15.872 1.00 65.43 C ATOM 93 CG TYR A 7 -14.142 1.090 14.578 1.00 65.23 C ATOM 94 CD1 TYR A 7 -14.995 0.763 13.518 1.00 3.02 C ATOM 95 CD2 TYR A 7 -13.303 2.202 14.418 1.00 24.33 C ATOM 96 CE1 TYR A 7 -15.010 1.512 12.356 1.00 71.14 C ATOM 97 CE2 TYR A 7 -13.318 2.950 13.257 1.00 34.14 C ATOM 98 CZ TYR A 7 -14.171 2.603 12.231 1.00 0.23 C ATOM 99 OH TYR A 7 -14.192 3.359 11.074 1.00 75.41 O ATOM 0 H TYR A 7 -13.860 -1.267 17.799 1.00 61.43 H new ATOM 0 HA TYR A 7 -14.098 -1.741 15.028 1.00 3.22 H new ATOM 0 HB2 TYR A 7 -15.154 0.143 16.227 1.00 65.43 H new ATOM 0 HB3 TYR A 7 -13.582 0.802 16.638 1.00 65.43 H new ATOM 0 HD1 TYR A 7 -15.653 -0.089 13.609 1.00 3.02 H new ATOM 0 HD2 TYR A 7 -12.632 2.479 15.218 1.00 24.33 H new ATOM 0 HE1 TYR A 7 -15.675 1.245 11.548 1.00 71.14 H new ATOM 0 HE2 TYR A 7 -12.664 3.803 13.153 1.00 34.14 H new ATOM 0 HH TYR A 7 -13.543 4.089 11.149 1.00 75.41 H new ATOM 109 N ILE A 8 -11.114 -0.661 16.007 1.00 24.44 N ATOM 110 CA ILE A 8 -9.677 -0.565 15.641 1.00 12.01 C ATOM 111 C ILE A 8 -9.087 -1.959 15.275 1.00 13.55 C ATOM 112 O ILE A 8 -8.268 -2.086 14.353 1.00 50.24 O ATOM 113 CB ILE A 8 -8.856 0.095 16.816 1.00 62.51 C ATOM 114 CG1 ILE A 8 -9.438 1.504 17.181 1.00 3.12 C ATOM 115 CG2 ILE A 8 -7.344 0.186 16.489 1.00 0.31 C ATOM 116 CD1 ILE A 8 -9.436 2.520 16.042 1.00 34.32 C ATOM 0 H ILE A 8 -11.309 -0.384 16.969 1.00 24.44 H new ATOM 0 HA ILE A 8 -9.598 0.068 14.757 1.00 12.01 H new ATOM 0 HB ILE A 8 -8.957 -0.554 17.686 1.00 62.51 H new ATOM 0 HG12 ILE A 8 -10.462 1.377 17.532 1.00 3.12 H new ATOM 0 HG13 ILE A 8 -8.864 1.913 18.013 1.00 3.12 H new ATOM 0 HG21 ILE A 8 -6.818 0.647 17.325 1.00 0.31 H new ATOM 0 HG22 ILE A 8 -6.948 -0.815 16.318 1.00 0.31 H new ATOM 0 HG23 ILE A 8 -7.201 0.791 15.593 1.00 0.31 H new ATOM 0 HD11 ILE A 8 -9.857 3.462 16.394 1.00 34.32 H new ATOM 0 HD12 ILE A 8 -8.413 2.684 15.703 1.00 34.32 H new ATOM 0 HD13 ILE A 8 -10.036 2.141 15.215 1.00 34.32 H new ATOM 128 N LYS A 9 -9.547 -2.995 15.989 1.00 61.24 N ATOM 129 CA LYS A 9 -9.158 -4.397 15.736 1.00 2.35 C ATOM 130 C LYS A 9 -9.790 -4.946 14.432 1.00 41.13 C ATOM 131 O LYS A 9 -9.256 -5.873 13.829 1.00 71.04 O ATOM 132 CB LYS A 9 -9.524 -5.281 16.952 1.00 34.21 C ATOM 133 CG LYS A 9 -8.713 -4.950 18.228 1.00 74.50 C ATOM 134 CD LYS A 9 -9.219 -5.705 19.478 1.00 25.41 C ATOM 135 CE LYS A 9 -9.085 -7.233 19.366 1.00 60.01 C ATOM 136 NZ LYS A 9 -9.554 -7.918 20.597 1.00 32.11 N ATOM 0 H LYS A 9 -10.203 -2.888 16.763 1.00 61.24 H new ATOM 0 HA LYS A 9 -8.077 -4.425 15.598 1.00 2.35 H new ATOM 0 HB2 LYS A 9 -10.586 -5.166 17.167 1.00 34.21 H new ATOM 0 HB3 LYS A 9 -9.363 -6.327 16.691 1.00 34.21 H new ATOM 0 HG2 LYS A 9 -7.665 -5.198 18.060 1.00 74.50 H new ATOM 0 HG3 LYS A 9 -8.761 -3.877 18.414 1.00 74.50 H new ATOM 0 HD2 LYS A 9 -8.662 -5.362 20.350 1.00 25.41 H new ATOM 0 HD3 LYS A 9 -10.265 -5.451 19.648 1.00 25.41 H new ATOM 0 HE2 LYS A 9 -9.661 -7.587 18.511 1.00 60.01 H new ATOM 0 HE3 LYS A 9 -8.043 -7.494 19.179 1.00 60.01 H new ATOM 0 HZ1 LYS A 9 -9.448 -8.946 20.484 1.00 32.11 H new ATOM 0 HZ2 LYS A 9 -8.988 -7.599 21.409 1.00 32.11 H new ATOM 0 HZ3 LYS A 9 -10.555 -7.689 20.762 1.00 32.11 H new ATOM 150 N LYS A 10 -10.952 -4.394 14.031 1.00 2.30 N ATOM 151 CA LYS A 10 -11.554 -4.675 12.704 1.00 3.02 C ATOM 152 C LYS A 10 -10.762 -3.966 11.576 1.00 24.45 C ATOM 153 O LYS A 10 -10.614 -4.521 10.491 1.00 54.42 O ATOM 154 CB LYS A 10 -13.051 -4.257 12.661 1.00 73.23 C ATOM 155 CG LYS A 10 -13.988 -5.108 13.560 1.00 62.22 C ATOM 156 CD LYS A 10 -15.487 -4.753 13.380 1.00 33.54 C ATOM 157 CE LYS A 10 -15.805 -3.294 13.742 1.00 20.13 C ATOM 158 NZ LYS A 10 -17.233 -2.959 13.522 1.00 60.44 N ATOM 0 H LYS A 10 -11.496 -3.750 14.605 1.00 2.30 H new ATOM 0 HA LYS A 10 -11.500 -5.751 12.541 1.00 3.02 H new ATOM 0 HB2 LYS A 10 -13.131 -3.212 12.962 1.00 73.23 H new ATOM 0 HB3 LYS A 10 -13.402 -4.320 11.631 1.00 73.23 H new ATOM 0 HG2 LYS A 10 -13.840 -6.164 13.332 1.00 62.22 H new ATOM 0 HG3 LYS A 10 -13.709 -4.965 14.604 1.00 62.22 H new ATOM 0 HD2 LYS A 10 -15.777 -4.936 12.345 1.00 33.54 H new ATOM 0 HD3 LYS A 10 -16.089 -5.416 14.002 1.00 33.54 H new ATOM 0 HE2 LYS A 10 -15.549 -3.117 14.787 1.00 20.13 H new ATOM 0 HE3 LYS A 10 -15.182 -2.629 13.144 1.00 20.13 H new ATOM 0 HZ1 LYS A 10 -17.400 -1.965 13.780 1.00 60.44 H new ATOM 0 HZ2 LYS A 10 -17.473 -3.102 12.520 1.00 60.44 H new ATOM 0 HZ3 LYS A 10 -17.829 -3.574 14.112 1.00 60.44 H new ATOM 172 N VAL A 11 -10.242 -2.745 11.865 1.00 61.04 N ATOM 173 CA VAL A 11 -9.380 -1.976 10.920 1.00 14.32 C ATOM 174 C VAL A 11 -8.052 -2.737 10.637 1.00 41.41 C ATOM 175 O VAL A 11 -7.451 -2.585 9.566 1.00 44.22 O ATOM 176 CB VAL A 11 -9.102 -0.514 11.456 1.00 44.35 C ATOM 177 CG1 VAL A 11 -8.145 0.286 10.534 1.00 15.43 C ATOM 178 CG2 VAL A 11 -10.432 0.261 11.649 1.00 53.03 C ATOM 0 H VAL A 11 -10.405 -2.266 12.751 1.00 61.04 H new ATOM 0 HA VAL A 11 -9.919 -1.881 9.977 1.00 14.32 H new ATOM 0 HB VAL A 11 -8.606 -0.623 12.420 1.00 44.35 H new ATOM 0 HG11 VAL A 11 -7.988 1.282 10.949 1.00 15.43 H new ATOM 0 HG12 VAL A 11 -7.189 -0.233 10.464 1.00 15.43 H new ATOM 0 HG13 VAL A 11 -8.584 0.372 9.540 1.00 15.43 H new ATOM 0 HG21 VAL A 11 -10.218 1.264 12.018 1.00 53.03 H new ATOM 0 HG22 VAL A 11 -10.955 0.329 10.695 1.00 53.03 H new ATOM 0 HG23 VAL A 11 -11.058 -0.265 12.369 1.00 53.03 H new ATOM 188 N THR A 12 -7.627 -3.571 11.610 1.00 14.21 N ATOM 189 CA THR A 12 -6.542 -4.566 11.416 1.00 34.01 C ATOM 190 C THR A 12 -6.846 -5.483 10.200 1.00 42.24 C ATOM 191 O THR A 12 -6.018 -5.630 9.301 1.00 4.30 O ATOM 192 CB THR A 12 -6.352 -5.448 12.704 1.00 0.43 C ATOM 193 OG1 THR A 12 -5.936 -4.623 13.807 1.00 21.44 O ATOM 194 CG2 THR A 12 -5.340 -6.602 12.510 1.00 1.21 C ATOM 0 H THR A 12 -8.023 -3.576 12.550 1.00 14.21 H new ATOM 0 HA THR A 12 -5.621 -4.016 11.225 1.00 34.01 H new ATOM 0 HB THR A 12 -7.319 -5.905 12.913 1.00 0.43 H new ATOM 0 HG1 THR A 12 -5.821 -5.179 14.606 1.00 21.44 H new ATOM 0 HG21 THR A 12 -5.256 -7.171 13.436 1.00 1.21 H new ATOM 0 HG22 THR A 12 -5.685 -7.258 11.711 1.00 1.21 H new ATOM 0 HG23 THR A 12 -4.365 -6.191 12.247 1.00 1.21 H new ATOM 202 N ASP A 13 -8.059 -6.060 10.170 1.00 31.51 N ATOM 203 CA ASP A 13 -8.498 -6.977 9.090 1.00 62.44 C ATOM 204 C ASP A 13 -8.814 -6.219 7.772 1.00 65.54 C ATOM 205 O ASP A 13 -8.633 -6.769 6.679 1.00 11.43 O ATOM 206 CB ASP A 13 -9.730 -7.781 9.554 1.00 31.34 C ATOM 207 CG ASP A 13 -9.446 -8.615 10.812 1.00 43.43 C ATOM 208 OD1 ASP A 13 -9.004 -9.777 10.683 1.00 23.04 O ATOM 209 OD2 ASP A 13 -9.659 -8.112 11.936 1.00 13.14 O ATOM 0 H ASP A 13 -8.766 -5.908 10.890 1.00 31.51 H new ATOM 0 HA ASP A 13 -7.674 -7.659 8.880 1.00 62.44 H new ATOM 0 HB2 ASP A 13 -10.553 -7.095 9.754 1.00 31.34 H new ATOM 0 HB3 ASP A 13 -10.054 -8.441 8.749 1.00 31.34 H new ATOM 214 N GLU A 14 -9.294 -4.960 7.889 1.00 53.50 N ATOM 215 CA GLU A 14 -9.509 -4.062 6.720 1.00 42.34 C ATOM 216 C GLU A 14 -8.165 -3.757 6.019 1.00 13.31 C ATOM 217 O GLU A 14 -8.106 -3.619 4.798 1.00 4.31 O ATOM 218 CB GLU A 14 -10.188 -2.734 7.157 1.00 13.23 C ATOM 219 CG GLU A 14 -11.548 -2.892 7.864 1.00 60.24 C ATOM 220 CD GLU A 14 -12.645 -3.540 6.993 1.00 53.03 C ATOM 221 OE1 GLU A 14 -13.344 -2.811 6.260 1.00 5.34 O ATOM 222 OE2 GLU A 14 -12.818 -4.781 7.045 1.00 64.11 O ATOM 0 H GLU A 14 -9.542 -4.537 8.783 1.00 53.50 H new ATOM 0 HA GLU A 14 -10.168 -4.575 6.020 1.00 42.34 H new ATOM 0 HB2 GLU A 14 -9.510 -2.201 7.824 1.00 13.23 H new ATOM 0 HB3 GLU A 14 -10.326 -2.108 6.275 1.00 13.23 H new ATOM 0 HG2 GLU A 14 -11.410 -3.495 8.762 1.00 60.24 H new ATOM 0 HG3 GLU A 14 -11.891 -1.910 8.189 1.00 60.24 H new ATOM 229 N LEU A 15 -7.100 -3.661 6.832 1.00 73.32 N ATOM 230 CA LEU A 15 -5.708 -3.501 6.363 1.00 42.44 C ATOM 231 C LEU A 15 -5.238 -4.751 5.561 1.00 53.54 C ATOM 232 O LEU A 15 -4.588 -4.612 4.528 1.00 61.54 O ATOM 233 CB LEU A 15 -4.792 -3.194 7.598 1.00 72.22 C ATOM 234 CG LEU A 15 -3.230 -3.116 7.374 1.00 52.53 C ATOM 235 CD1 LEU A 15 -2.568 -2.101 8.340 1.00 13.55 C ATOM 236 CD2 LEU A 15 -2.563 -4.508 7.539 1.00 21.54 C ATOM 0 H LEU A 15 -7.180 -3.692 7.848 1.00 73.32 H new ATOM 0 HA LEU A 15 -5.642 -2.662 5.670 1.00 42.44 H new ATOM 0 HB2 LEU A 15 -5.114 -2.243 8.022 1.00 72.22 H new ATOM 0 HB3 LEU A 15 -4.982 -3.959 8.350 1.00 72.22 H new ATOM 0 HG LEU A 15 -3.075 -2.774 6.351 1.00 52.53 H new ATOM 0 HD11 LEU A 15 -1.494 -2.073 8.158 1.00 13.55 H new ATOM 0 HD12 LEU A 15 -2.990 -1.110 8.172 1.00 13.55 H new ATOM 0 HD13 LEU A 15 -2.754 -2.405 9.370 1.00 13.55 H new ATOM 0 HD21 LEU A 15 -1.489 -4.418 7.378 1.00 21.54 H new ATOM 0 HD22 LEU A 15 -2.749 -4.884 8.545 1.00 21.54 H new ATOM 0 HD23 LEU A 15 -2.982 -5.201 6.810 1.00 21.54 H new ATOM 248 N LYS A 16 -5.578 -5.970 6.051 1.00 5.41 N ATOM 249 CA LYS A 16 -5.288 -7.258 5.332 1.00 1.42 C ATOM 250 C LYS A 16 -6.021 -7.322 3.971 1.00 22.14 C ATOM 251 O LYS A 16 -5.462 -7.774 2.966 1.00 44.12 O ATOM 252 CB LYS A 16 -5.696 -8.499 6.199 1.00 73.34 C ATOM 253 CG LYS A 16 -4.639 -8.983 7.217 1.00 14.22 C ATOM 254 CD LYS A 16 -4.229 -7.906 8.240 1.00 12.13 C ATOM 255 CE LYS A 16 -3.230 -8.425 9.282 1.00 33.22 C ATOM 256 NZ LYS A 16 -2.040 -9.038 8.646 1.00 3.23 N ATOM 0 H LYS A 16 -6.055 -6.098 6.943 1.00 5.41 H new ATOM 0 HA LYS A 16 -4.213 -7.286 5.156 1.00 1.42 H new ATOM 0 HB2 LYS A 16 -6.610 -8.256 6.740 1.00 73.34 H new ATOM 0 HB3 LYS A 16 -5.933 -9.325 5.529 1.00 73.34 H new ATOM 0 HG2 LYS A 16 -5.031 -9.849 7.751 1.00 14.22 H new ATOM 0 HG3 LYS A 16 -3.752 -9.316 6.677 1.00 14.22 H new ATOM 0 HD2 LYS A 16 -3.790 -7.059 7.713 1.00 12.13 H new ATOM 0 HD3 LYS A 16 -5.119 -7.537 8.749 1.00 12.13 H new ATOM 0 HE2 LYS A 16 -2.916 -7.603 9.925 1.00 33.22 H new ATOM 0 HE3 LYS A 16 -3.720 -9.160 9.921 1.00 33.22 H new ATOM 0 HZ1 LYS A 16 -1.323 -9.238 9.372 1.00 3.23 H new ATOM 0 HZ2 LYS A 16 -2.315 -9.925 8.177 1.00 3.23 H new ATOM 0 HZ3 LYS A 16 -1.646 -8.382 7.942 1.00 3.23 H new ATOM 270 N GLU A 17 -7.275 -6.847 3.982 1.00 71.51 N ATOM 271 CA GLU A 17 -8.165 -6.800 2.792 1.00 62.14 C ATOM 272 C GLU A 17 -7.570 -5.830 1.742 1.00 2.31 C ATOM 273 O GLU A 17 -7.534 -6.116 0.544 1.00 30.33 O ATOM 274 CB GLU A 17 -9.597 -6.350 3.257 1.00 52.21 C ATOM 275 CG GLU A 17 -10.795 -6.803 2.383 1.00 2.51 C ATOM 276 CD GLU A 17 -10.838 -6.221 0.958 1.00 61.53 C ATOM 277 OE1 GLU A 17 -10.788 -4.982 0.811 1.00 43.44 O ATOM 278 OE2 GLU A 17 -10.933 -7.001 -0.015 1.00 34.01 O ATOM 0 H GLU A 17 -7.714 -6.477 4.825 1.00 71.51 H new ATOM 0 HA GLU A 17 -8.245 -7.782 2.326 1.00 62.14 H new ATOM 0 HB2 GLU A 17 -9.757 -6.721 4.269 1.00 52.21 H new ATOM 0 HB3 GLU A 17 -9.609 -5.261 3.311 1.00 52.21 H new ATOM 0 HG2 GLU A 17 -10.778 -7.891 2.311 1.00 2.51 H new ATOM 0 HG3 GLU A 17 -11.718 -6.531 2.895 1.00 2.51 H new ATOM 285 N LEU A 18 -7.048 -4.721 2.257 1.00 34.24 N ATOM 286 CA LEU A 18 -6.474 -3.622 1.467 1.00 63.01 C ATOM 287 C LEU A 18 -5.156 -4.054 0.773 1.00 50.31 C ATOM 288 O LEU A 18 -4.957 -3.811 -0.420 1.00 23.14 O ATOM 289 CB LEU A 18 -6.249 -2.400 2.423 1.00 2.42 C ATOM 290 CG LEU A 18 -6.619 -0.996 1.861 1.00 73.04 C ATOM 291 CD1 LEU A 18 -8.026 -1.026 1.246 1.00 2.13 C ATOM 292 CD2 LEU A 18 -6.520 0.085 2.962 1.00 75.24 C ATOM 0 H LEU A 18 -7.009 -4.551 3.262 1.00 34.24 H new ATOM 0 HA LEU A 18 -7.161 -3.341 0.669 1.00 63.01 H new ATOM 0 HB2 LEU A 18 -6.829 -2.567 3.331 1.00 2.42 H new ATOM 0 HB3 LEU A 18 -5.199 -2.384 2.714 1.00 2.42 H new ATOM 0 HG LEU A 18 -5.905 -0.738 1.079 1.00 73.04 H new ATOM 0 HD11 LEU A 18 -8.274 -0.039 0.856 1.00 2.13 H new ATOM 0 HD12 LEU A 18 -8.053 -1.754 0.435 1.00 2.13 H new ATOM 0 HD13 LEU A 18 -8.751 -1.307 2.010 1.00 2.13 H new ATOM 0 HD21 LEU A 18 -6.783 1.056 2.543 1.00 75.24 H new ATOM 0 HD22 LEU A 18 -7.206 -0.158 3.773 1.00 75.24 H new ATOM 0 HD23 LEU A 18 -5.501 0.120 3.347 1.00 75.24 H new ATOM 304 N ILE A 19 -4.273 -4.698 1.559 1.00 51.03 N ATOM 305 CA ILE A 19 -2.985 -5.254 1.077 1.00 2.13 C ATOM 306 C ILE A 19 -3.213 -6.362 0.020 1.00 41.13 C ATOM 307 O ILE A 19 -2.497 -6.417 -0.977 1.00 54.33 O ATOM 308 CB ILE A 19 -2.138 -5.801 2.297 1.00 52.24 C ATOM 309 CG1 ILE A 19 -1.652 -4.613 3.197 1.00 44.10 C ATOM 310 CG2 ILE A 19 -0.942 -6.689 1.856 1.00 22.30 C ATOM 311 CD1 ILE A 19 -0.888 -5.027 4.444 1.00 31.14 C ATOM 0 H ILE A 19 -4.430 -4.851 2.555 1.00 51.03 H new ATOM 0 HA ILE A 19 -2.424 -4.453 0.595 1.00 2.13 H new ATOM 0 HB ILE A 19 -2.798 -6.445 2.879 1.00 52.24 H new ATOM 0 HG12 ILE A 19 -1.017 -3.960 2.599 1.00 44.10 H new ATOM 0 HG13 ILE A 19 -2.519 -4.026 3.498 1.00 44.10 H new ATOM 0 HG21 ILE A 19 -0.400 -7.033 2.737 1.00 22.30 H new ATOM 0 HG22 ILE A 19 -1.313 -7.549 1.299 1.00 22.30 H new ATOM 0 HG23 ILE A 19 -0.272 -6.108 1.222 1.00 22.30 H new ATOM 0 HD11 ILE A 19 -0.593 -4.138 5.002 1.00 31.14 H new ATOM 0 HD12 ILE A 19 -1.524 -5.654 5.069 1.00 31.14 H new ATOM 0 HD13 ILE A 19 0.002 -5.586 4.156 1.00 31.14 H new ATOM 323 N GLN A 20 -4.226 -7.215 0.252 1.00 33.45 N ATOM 324 CA GLN A 20 -4.637 -8.270 -0.709 1.00 21.33 C ATOM 325 C GLN A 20 -5.000 -7.658 -2.076 1.00 1.40 C ATOM 326 O GLN A 20 -4.476 -8.077 -3.114 1.00 51.14 O ATOM 327 CB GLN A 20 -5.830 -9.077 -0.116 1.00 41.33 C ATOM 328 CG GLN A 20 -6.449 -10.186 -1.020 1.00 33.25 C ATOM 329 CD GLN A 20 -7.657 -9.718 -1.848 1.00 2.43 C ATOM 330 OE1 GLN A 20 -7.532 -9.313 -3.001 1.00 15.04 O ATOM 331 NE2 GLN A 20 -8.829 -9.715 -1.238 1.00 65.53 N ATOM 0 H GLN A 20 -4.785 -7.198 1.105 1.00 33.45 H new ATOM 0 HA GLN A 20 -3.801 -8.950 -0.871 1.00 21.33 H new ATOM 0 HB2 GLN A 20 -5.497 -9.542 0.812 1.00 41.33 H new ATOM 0 HB3 GLN A 20 -6.620 -8.373 0.146 1.00 41.33 H new ATOM 0 HG2 GLN A 20 -5.680 -10.559 -1.697 1.00 33.25 H new ATOM 0 HG3 GLN A 20 -6.755 -11.023 -0.392 1.00 33.25 H new ATOM 0 HE21 GLN A 20 -8.906 -10.057 -0.280 1.00 65.53 H new ATOM 0 HE22 GLN A 20 -9.657 -9.371 -1.725 1.00 65.53 H new ATOM 340 N ASN A 21 -5.872 -6.638 -2.044 1.00 11.32 N ATOM 341 CA ASN A 21 -6.343 -5.937 -3.261 1.00 20.10 C ATOM 342 C ASN A 21 -5.174 -5.313 -4.057 1.00 54.02 C ATOM 343 O ASN A 21 -5.040 -5.559 -5.256 1.00 12.40 O ATOM 344 CB ASN A 21 -7.374 -4.843 -2.878 1.00 23.23 C ATOM 345 CG ASN A 21 -8.754 -5.371 -2.469 1.00 5.50 C ATOM 346 OD1 ASN A 21 -9.753 -4.689 -2.639 1.00 50.41 O ATOM 347 ND2 ASN A 21 -8.834 -6.579 -1.949 1.00 74.13 N ATOM 0 H ASN A 21 -6.272 -6.273 -1.180 1.00 11.32 H new ATOM 0 HA ASN A 21 -6.819 -6.676 -3.905 1.00 20.10 H new ATOM 0 HB2 ASN A 21 -6.968 -4.254 -2.056 1.00 23.23 H new ATOM 0 HB3 ASN A 21 -7.496 -4.167 -3.724 1.00 23.23 H new ATOM 0 HD21 ASN A 21 -9.741 -6.960 -1.681 1.00 74.13 H new ATOM 0 HD22 ASN A 21 -7.988 -7.133 -1.815 1.00 74.13 H new ATOM 354 N VAL A 22 -4.328 -4.535 -3.359 1.00 20.34 N ATOM 355 CA VAL A 22 -3.145 -3.886 -3.961 1.00 64.12 C ATOM 356 C VAL A 22 -2.179 -4.927 -4.588 1.00 61.42 C ATOM 357 O VAL A 22 -1.776 -4.759 -5.723 1.00 3.01 O ATOM 358 CB VAL A 22 -2.384 -2.993 -2.911 1.00 53.03 C ATOM 359 CG1 VAL A 22 -1.028 -2.478 -3.443 1.00 23.13 C ATOM 360 CG2 VAL A 22 -3.255 -1.802 -2.467 1.00 51.52 C ATOM 0 H VAL A 22 -4.443 -4.338 -2.365 1.00 20.34 H new ATOM 0 HA VAL A 22 -3.508 -3.239 -4.760 1.00 64.12 H new ATOM 0 HB VAL A 22 -2.181 -3.633 -2.052 1.00 53.03 H new ATOM 0 HG11 VAL A 22 -0.546 -1.868 -2.679 1.00 23.13 H new ATOM 0 HG12 VAL A 22 -0.388 -3.325 -3.688 1.00 23.13 H new ATOM 0 HG13 VAL A 22 -1.193 -1.877 -4.337 1.00 23.13 H new ATOM 0 HG21 VAL A 22 -2.707 -1.201 -1.742 1.00 51.52 H new ATOM 0 HG22 VAL A 22 -3.502 -1.189 -3.334 1.00 51.52 H new ATOM 0 HG23 VAL A 22 -4.173 -2.173 -2.011 1.00 51.52 H new ATOM 370 N ASN A 23 -1.850 -6.008 -3.845 1.00 75.13 N ATOM 371 CA ASN A 23 -0.955 -7.100 -4.336 1.00 53.23 C ATOM 372 C ASN A 23 -1.480 -7.742 -5.644 1.00 22.23 C ATOM 373 O ASN A 23 -0.714 -7.962 -6.575 1.00 23.21 O ATOM 374 CB ASN A 23 -0.774 -8.212 -3.265 1.00 14.34 C ATOM 375 CG ASN A 23 0.159 -7.827 -2.118 1.00 63.22 C ATOM 376 OD1 ASN A 23 1.118 -7.082 -2.295 1.00 53.10 O ATOM 377 ND2 ASN A 23 -0.099 -8.353 -0.937 1.00 74.14 N ATOM 0 H ASN A 23 -2.190 -6.155 -2.895 1.00 75.13 H new ATOM 0 HA ASN A 23 0.008 -6.632 -4.539 1.00 53.23 H new ATOM 0 HB2 ASN A 23 -1.751 -8.468 -2.854 1.00 14.34 H new ATOM 0 HB3 ASN A 23 -0.386 -9.108 -3.749 1.00 14.34 H new ATOM 0 HD21 ASN A 23 0.505 -8.144 -0.142 1.00 74.14 H new ATOM 0 HD22 ASN A 23 -0.903 -8.969 -0.818 1.00 74.14 H new ATOM 384 N ASP A 24 -2.789 -8.037 -5.692 1.00 2.23 N ATOM 385 CA ASP A 24 -3.439 -8.634 -6.885 1.00 1.23 C ATOM 386 C ASP A 24 -3.498 -7.657 -8.080 1.00 64.25 C ATOM 387 O ASP A 24 -3.385 -8.077 -9.241 1.00 75.23 O ATOM 388 CB ASP A 24 -4.840 -9.175 -6.507 1.00 21.05 C ATOM 389 CG ASP A 24 -4.747 -10.550 -5.817 1.00 2.54 C ATOM 390 OD1 ASP A 24 -4.384 -10.611 -4.625 1.00 61.34 O ATOM 391 OD2 ASP A 24 -4.970 -11.590 -6.480 1.00 22.44 O ATOM 0 H ASP A 24 -3.428 -7.872 -4.914 1.00 2.23 H new ATOM 0 HA ASP A 24 -2.824 -9.469 -7.219 1.00 1.23 H new ATOM 0 HB2 ASP A 24 -5.338 -8.467 -5.844 1.00 21.05 H new ATOM 0 HB3 ASP A 24 -5.454 -9.258 -7.404 1.00 21.05 H new ATOM 396 N ASP A 25 -3.672 -6.363 -7.785 1.00 4.41 N ATOM 397 CA ASP A 25 -3.548 -5.284 -8.786 1.00 75.23 C ATOM 398 C ASP A 25 -2.084 -5.150 -9.289 1.00 1.22 C ATOM 399 O ASP A 25 -1.858 -4.875 -10.465 1.00 24.34 O ATOM 400 CB ASP A 25 -4.064 -3.946 -8.192 1.00 53.13 C ATOM 401 CG ASP A 25 -5.599 -3.826 -8.214 1.00 21.21 C ATOM 402 OD1 ASP A 25 -6.181 -3.808 -9.323 1.00 13.33 O ATOM 403 OD2 ASP A 25 -6.241 -3.710 -7.144 1.00 52.34 O ATOM 0 H ASP A 25 -3.902 -6.030 -6.849 1.00 4.41 H new ATOM 0 HA ASP A 25 -4.164 -5.539 -9.649 1.00 75.23 H new ATOM 0 HB2 ASP A 25 -3.713 -3.853 -7.164 1.00 53.13 H new ATOM 0 HB3 ASP A 25 -3.633 -3.117 -8.753 1.00 53.13 H new ATOM 408 N ILE A 26 -1.098 -5.381 -8.393 1.00 3.31 N ATOM 409 CA ILE A 26 0.347 -5.394 -8.749 1.00 13.21 C ATOM 410 C ILE A 26 0.675 -6.607 -9.669 1.00 15.42 C ATOM 411 O ILE A 26 1.475 -6.481 -10.588 1.00 34.11 O ATOM 412 CB ILE A 26 1.282 -5.415 -7.472 1.00 4.21 C ATOM 413 CG1 ILE A 26 1.133 -4.111 -6.619 1.00 41.52 C ATOM 414 CG2 ILE A 26 2.760 -5.630 -7.861 1.00 62.35 C ATOM 415 CD1 ILE A 26 1.884 -4.115 -5.291 1.00 35.21 C ATOM 0 H ILE A 26 -1.276 -5.563 -7.405 1.00 3.31 H new ATOM 0 HA ILE A 26 0.548 -4.468 -9.287 1.00 13.21 H new ATOM 0 HB ILE A 26 0.958 -6.257 -6.860 1.00 4.21 H new ATOM 0 HG12 ILE A 26 1.481 -3.266 -7.213 1.00 41.52 H new ATOM 0 HG13 ILE A 26 0.074 -3.946 -6.419 1.00 41.52 H new ATOM 0 HG21 ILE A 26 3.375 -5.639 -6.961 1.00 62.35 H new ATOM 0 HG22 ILE A 26 2.864 -6.582 -8.382 1.00 62.35 H new ATOM 0 HG23 ILE A 26 3.086 -4.821 -8.515 1.00 62.35 H new ATOM 0 HD11 ILE A 26 1.717 -3.169 -4.776 1.00 35.21 H new ATOM 0 HD12 ILE A 26 1.522 -4.935 -4.671 1.00 35.21 H new ATOM 0 HD13 ILE A 26 2.950 -4.244 -5.476 1.00 35.21 H new ATOM 427 N LYS A 27 0.033 -7.771 -9.420 1.00 22.03 N ATOM 428 CA LYS A 27 0.156 -8.970 -10.303 1.00 24.00 C ATOM 429 C LYS A 27 -0.316 -8.631 -11.737 1.00 41.23 C ATOM 430 O LYS A 27 0.268 -9.082 -12.735 1.00 25.53 O ATOM 431 CB LYS A 27 -0.676 -10.157 -9.742 1.00 75.41 C ATOM 432 CG LYS A 27 -0.294 -10.599 -8.311 1.00 45.03 C ATOM 433 CD LYS A 27 -1.306 -11.603 -7.704 1.00 72.21 C ATOM 434 CE LYS A 27 -1.089 -11.844 -6.196 1.00 12.53 C ATOM 435 NZ LYS A 27 -2.170 -12.675 -5.604 1.00 10.12 N ATOM 0 H LYS A 27 -0.578 -7.913 -8.616 1.00 22.03 H new ATOM 0 HA LYS A 27 1.205 -9.263 -10.332 1.00 24.00 H new ATOM 0 HB2 LYS A 27 -1.730 -9.880 -9.752 1.00 75.41 H new ATOM 0 HB3 LYS A 27 -0.564 -11.009 -10.412 1.00 75.41 H new ATOM 0 HG2 LYS A 27 0.697 -11.054 -8.328 1.00 45.03 H new ATOM 0 HG3 LYS A 27 -0.231 -9.721 -7.669 1.00 45.03 H new ATOM 0 HD2 LYS A 27 -2.318 -11.231 -7.864 1.00 72.21 H new ATOM 0 HD3 LYS A 27 -1.228 -12.553 -8.233 1.00 72.21 H new ATOM 0 HE2 LYS A 27 -0.128 -12.335 -6.042 1.00 12.53 H new ATOM 0 HE3 LYS A 27 -1.044 -10.886 -5.678 1.00 12.53 H new ATOM 0 HZ1 LYS A 27 -2.335 -12.380 -4.620 1.00 10.12 H new ATOM 0 HZ2 LYS A 27 -3.044 -12.551 -6.154 1.00 10.12 H new ATOM 0 HZ3 LYS A 27 -1.888 -13.676 -5.623 1.00 10.12 H new ATOM 449 N GLU A 28 -1.380 -7.817 -11.815 1.00 24.31 N ATOM 450 CA GLU A 28 -1.900 -7.281 -13.086 1.00 33.55 C ATOM 451 C GLU A 28 -0.914 -6.262 -13.723 1.00 60.31 C ATOM 452 O GLU A 28 -0.849 -6.144 -14.945 1.00 44.01 O ATOM 453 CB GLU A 28 -3.284 -6.622 -12.856 1.00 74.44 C ATOM 454 CG GLU A 28 -4.389 -7.563 -12.331 1.00 70.11 C ATOM 455 CD GLU A 28 -4.750 -8.695 -13.309 1.00 72.31 C ATOM 456 OE1 GLU A 28 -5.461 -8.427 -14.303 1.00 30.42 O ATOM 457 OE2 GLU A 28 -4.318 -9.854 -13.103 1.00 54.34 O ATOM 0 H GLU A 28 -1.907 -7.510 -10.997 1.00 24.31 H new ATOM 0 HA GLU A 28 -2.009 -8.112 -13.782 1.00 33.55 H new ATOM 0 HB2 GLU A 28 -3.163 -5.802 -12.149 1.00 74.44 H new ATOM 0 HB3 GLU A 28 -3.620 -6.185 -13.796 1.00 74.44 H new ATOM 0 HG2 GLU A 28 -4.064 -8.000 -11.387 1.00 70.11 H new ATOM 0 HG3 GLU A 28 -5.284 -6.977 -12.120 1.00 70.11 H new ATOM 464 N VAL A 29 -0.152 -5.536 -12.881 1.00 61.44 N ATOM 465 CA VAL A 29 0.892 -4.586 -13.343 1.00 64.12 C ATOM 466 C VAL A 29 2.160 -5.325 -13.867 1.00 0.13 C ATOM 467 O VAL A 29 2.803 -4.876 -14.818 1.00 60.43 O ATOM 468 CB VAL A 29 1.321 -3.578 -12.210 1.00 24.11 C ATOM 469 CG1 VAL A 29 2.433 -2.639 -12.702 1.00 10.21 C ATOM 470 CG2 VAL A 29 0.127 -2.749 -11.688 1.00 2.34 C ATOM 0 H VAL A 29 -0.238 -5.588 -11.866 1.00 61.44 H new ATOM 0 HA VAL A 29 0.440 -4.026 -14.162 1.00 64.12 H new ATOM 0 HB VAL A 29 1.700 -4.178 -11.383 1.00 24.11 H new ATOM 0 HG11 VAL A 29 2.711 -1.953 -11.901 1.00 10.21 H new ATOM 0 HG12 VAL A 29 3.303 -3.227 -12.994 1.00 10.21 H new ATOM 0 HG13 VAL A 29 2.075 -2.069 -13.560 1.00 10.21 H new ATOM 0 HG21 VAL A 29 0.470 -2.068 -10.909 1.00 2.34 H new ATOM 0 HG22 VAL A 29 -0.303 -2.174 -12.508 1.00 2.34 H new ATOM 0 HG23 VAL A 29 -0.629 -3.418 -11.278 1.00 2.34 H new ATOM 480 N GLU A 30 2.518 -6.455 -13.241 1.00 33.15 N ATOM 481 CA GLU A 30 3.713 -7.245 -13.632 1.00 54.03 C ATOM 482 C GLU A 30 3.604 -7.759 -15.099 1.00 33.32 C ATOM 483 O GLU A 30 4.624 -7.950 -15.774 1.00 14.12 O ATOM 484 CB GLU A 30 3.949 -8.400 -12.613 1.00 21.40 C ATOM 485 CG GLU A 30 4.313 -7.904 -11.190 1.00 60.43 C ATOM 486 CD GLU A 30 4.486 -9.030 -10.146 1.00 4.31 C ATOM 487 OE1 GLU A 30 3.468 -9.505 -9.589 1.00 55.23 O ATOM 488 OE2 GLU A 30 5.635 -9.449 -9.875 1.00 52.20 O ATOM 0 H GLU A 30 1.999 -6.851 -12.457 1.00 33.15 H new ATOM 0 HA GLU A 30 4.587 -6.594 -13.603 1.00 54.03 H new ATOM 0 HB2 GLU A 30 3.050 -9.013 -12.556 1.00 21.40 H new ATOM 0 HB3 GLU A 30 4.750 -9.041 -12.982 1.00 21.40 H new ATOM 0 HG2 GLU A 30 5.238 -7.330 -11.244 1.00 60.43 H new ATOM 0 HG3 GLU A 30 3.535 -7.223 -10.846 1.00 60.43 H new ATOM 495 N LYS A 31 2.358 -7.959 -15.585 1.00 13.05 N ATOM 496 CA LYS A 31 2.074 -8.244 -17.016 1.00 22.03 C ATOM 497 C LYS A 31 1.707 -6.945 -17.816 1.00 52.03 C ATOM 498 O LYS A 31 1.983 -6.857 -19.019 1.00 63.54 O ATOM 499 CB LYS A 31 0.954 -9.314 -17.140 1.00 61.11 C ATOM 500 CG LYS A 31 -0.413 -8.883 -16.581 1.00 45.44 C ATOM 501 CD LYS A 31 -1.487 -9.986 -16.678 1.00 11.34 C ATOM 502 CE LYS A 31 -2.867 -9.496 -16.213 1.00 0.31 C ATOM 503 NZ LYS A 31 -3.878 -10.585 -16.151 1.00 13.43 N ATOM 0 H LYS A 31 1.522 -7.928 -15.002 1.00 13.05 H new ATOM 0 HA LYS A 31 2.987 -8.640 -17.462 1.00 22.03 H new ATOM 0 HB2 LYS A 31 0.835 -9.575 -18.192 1.00 61.11 H new ATOM 0 HB3 LYS A 31 1.275 -10.217 -16.621 1.00 61.11 H new ATOM 0 HG2 LYS A 31 -0.295 -8.591 -15.537 1.00 45.44 H new ATOM 0 HG3 LYS A 31 -0.757 -8.002 -17.122 1.00 45.44 H new ATOM 0 HD2 LYS A 31 -1.555 -10.334 -17.709 1.00 11.34 H new ATOM 0 HD3 LYS A 31 -1.184 -10.840 -16.072 1.00 11.34 H new ATOM 0 HE2 LYS A 31 -2.772 -9.039 -15.228 1.00 0.31 H new ATOM 0 HE3 LYS A 31 -3.219 -8.719 -16.892 1.00 0.31 H new ATOM 0 HZ1 LYS A 31 -4.651 -10.379 -16.815 1.00 13.43 H new ATOM 0 HZ2 LYS A 31 -3.432 -11.488 -16.409 1.00 13.43 H new ATOM 0 HZ3 LYS A 31 -4.259 -10.650 -15.186 1.00 13.43 H new ATOM 517 N ASN A 32 1.078 -5.944 -17.137 1.00 52.12 N ATOM 518 CA ASN A 32 0.635 -4.646 -17.757 1.00 73.20 C ATOM 519 C ASN A 32 1.230 -3.416 -16.979 1.00 62.42 C ATOM 520 O ASN A 32 0.516 -2.771 -16.196 1.00 74.34 O ATOM 521 CB ASN A 32 -0.927 -4.550 -17.766 1.00 31.14 C ATOM 522 CG ASN A 32 -1.650 -5.518 -18.704 1.00 43.05 C ATOM 523 OD1 ASN A 32 -1.206 -6.626 -18.964 1.00 52.14 O ATOM 524 ND2 ASN A 32 -2.789 -5.097 -19.225 1.00 43.21 N ATOM 0 H ASN A 32 0.860 -6.008 -16.143 1.00 52.12 H new ATOM 0 HA ASN A 32 1.005 -4.625 -18.782 1.00 73.20 H new ATOM 0 HB2 ASN A 32 -1.288 -4.720 -16.752 1.00 31.14 H new ATOM 0 HB3 ASN A 32 -1.208 -3.533 -18.038 1.00 31.14 H new ATOM 0 HD21 ASN A 32 -3.315 -5.701 -19.857 1.00 43.21 H new ATOM 0 HD22 ASN A 32 -3.143 -4.168 -18.995 1.00 43.21 H new ATOM 531 N PRO A 33 2.560 -3.087 -17.157 1.00 51.51 N ATOM 532 CA PRO A 33 3.258 -2.044 -16.337 1.00 15.10 C ATOM 533 C PRO A 33 2.737 -0.594 -16.549 1.00 40.14 C ATOM 534 O PRO A 33 2.475 0.123 -15.575 1.00 44.12 O ATOM 535 CB PRO A 33 4.747 -2.197 -16.757 1.00 13.02 C ATOM 536 CG PRO A 33 4.692 -2.803 -18.127 1.00 64.50 C ATOM 537 CD PRO A 33 3.490 -3.725 -18.127 1.00 2.22 C ATOM 0 HA PRO A 33 3.082 -2.198 -15.272 1.00 15.10 H new ATOM 0 HB2 PRO A 33 5.257 -1.233 -16.770 1.00 13.02 H new ATOM 0 HB3 PRO A 33 5.291 -2.836 -16.062 1.00 13.02 H new ATOM 0 HG2 PRO A 33 4.593 -2.032 -18.891 1.00 64.50 H new ATOM 0 HG3 PRO A 33 5.606 -3.354 -18.347 1.00 64.50 H new ATOM 0 HD2 PRO A 33 3.044 -3.802 -19.119 1.00 2.22 H new ATOM 0 HD3 PRO A 33 3.760 -4.735 -17.819 1.00 2.22 H new ATOM 545 N GLU A 34 2.579 -0.180 -17.822 1.00 14.34 N ATOM 546 CA GLU A 34 2.192 1.208 -18.180 1.00 15.33 C ATOM 547 C GLU A 34 0.661 1.453 -18.089 1.00 65.21 C ATOM 548 O GLU A 34 0.199 2.572 -18.359 1.00 35.30 O ATOM 549 CB GLU A 34 2.711 1.557 -19.601 1.00 44.44 C ATOM 550 CG GLU A 34 4.249 1.592 -19.742 1.00 65.32 C ATOM 551 CD GLU A 34 4.713 1.978 -21.158 1.00 52.22 C ATOM 552 OE1 GLU A 34 4.445 3.125 -21.589 1.00 54.05 O ATOM 553 OE2 GLU A 34 5.351 1.151 -21.848 1.00 31.24 O ATOM 0 H GLU A 34 2.714 -0.790 -18.629 1.00 14.34 H new ATOM 0 HA GLU A 34 2.658 1.866 -17.446 1.00 15.33 H new ATOM 0 HB2 GLU A 34 2.313 0.828 -20.307 1.00 44.44 H new ATOM 0 HB3 GLU A 34 2.312 2.530 -19.889 1.00 44.44 H new ATOM 0 HG2 GLU A 34 4.658 2.303 -19.025 1.00 65.32 H new ATOM 0 HG3 GLU A 34 4.654 0.613 -19.487 1.00 65.32 H new ATOM 560 N ASP A 35 -0.118 0.414 -17.725 1.00 31.32 N ATOM 561 CA ASP A 35 -1.562 0.559 -17.456 1.00 74.01 C ATOM 562 C ASP A 35 -1.797 1.288 -16.109 1.00 24.41 C ATOM 563 O ASP A 35 -1.802 0.686 -15.024 1.00 5.22 O ATOM 564 CB ASP A 35 -2.270 -0.814 -17.516 1.00 32.51 C ATOM 565 CG ASP A 35 -2.395 -1.334 -18.959 1.00 54.44 C ATOM 566 OD1 ASP A 35 -1.382 -1.785 -19.530 1.00 64.20 O ATOM 567 OD2 ASP A 35 -3.499 -1.263 -19.541 1.00 31.24 O ATOM 0 H ASP A 35 0.231 -0.538 -17.610 1.00 31.32 H new ATOM 0 HA ASP A 35 -2.005 1.179 -18.235 1.00 74.01 H new ATOM 0 HB2 ASP A 35 -1.714 -1.535 -16.917 1.00 32.51 H new ATOM 0 HB3 ASP A 35 -3.263 -0.730 -17.073 1.00 32.51 H new ATOM 572 N MET A 36 -1.970 2.615 -16.223 1.00 4.14 N ATOM 573 CA MET A 36 -2.113 3.543 -15.088 1.00 41.52 C ATOM 574 C MET A 36 -3.407 3.309 -14.286 1.00 63.32 C ATOM 575 O MET A 36 -3.498 3.705 -13.127 1.00 11.02 O ATOM 576 CB MET A 36 -2.048 4.991 -15.622 1.00 12.12 C ATOM 577 CG MET A 36 -0.726 5.372 -16.326 1.00 5.12 C ATOM 578 SD MET A 36 0.713 5.407 -15.226 1.00 62.51 S ATOM 579 CE MET A 36 1.312 3.722 -15.184 1.00 22.00 C ATOM 0 H MET A 36 -2.015 3.084 -17.128 1.00 4.14 H new ATOM 0 HA MET A 36 -1.294 3.361 -14.392 1.00 41.52 H new ATOM 0 HB2 MET A 36 -2.870 5.141 -16.322 1.00 12.12 H new ATOM 0 HB3 MET A 36 -2.209 5.676 -14.790 1.00 12.12 H new ATOM 0 HG2 MET A 36 -0.538 4.662 -17.131 1.00 5.12 H new ATOM 0 HG3 MET A 36 -0.842 6.353 -16.787 1.00 5.12 H new ATOM 0 HE1 MET A 36 1.843 3.548 -14.248 1.00 22.00 H new ATOM 0 HE2 MET A 36 0.469 3.034 -15.257 1.00 22.00 H new ATOM 0 HE3 MET A 36 1.989 3.556 -16.022 1.00 22.00 H new ATOM 589 N GLU A 37 -4.397 2.686 -14.936 1.00 53.41 N ATOM 590 CA GLU A 37 -5.644 2.221 -14.286 1.00 64.40 C ATOM 591 C GLU A 37 -5.364 1.269 -13.089 1.00 43.04 C ATOM 592 O GLU A 37 -5.949 1.436 -12.014 1.00 44.11 O ATOM 593 CB GLU A 37 -6.571 1.539 -15.331 1.00 10.35 C ATOM 594 CG GLU A 37 -5.948 0.340 -16.081 1.00 13.45 C ATOM 595 CD GLU A 37 -6.938 -0.356 -17.029 1.00 53.15 C ATOM 596 OE1 GLU A 37 -7.789 -1.138 -16.542 1.00 1.51 O ATOM 597 OE2 GLU A 37 -6.885 -0.111 -18.255 1.00 12.14 O ATOM 0 H GLU A 37 -4.362 2.485 -15.935 1.00 53.41 H new ATOM 0 HA GLU A 37 -6.150 3.097 -13.880 1.00 64.40 H new ATOM 0 HB2 GLU A 37 -7.475 1.200 -14.825 1.00 10.35 H new ATOM 0 HB3 GLU A 37 -6.877 2.286 -16.064 1.00 10.35 H new ATOM 0 HG2 GLU A 37 -5.087 0.684 -16.653 1.00 13.45 H new ATOM 0 HG3 GLU A 37 -5.579 -0.384 -15.354 1.00 13.45 H new ATOM 604 N TYR A 38 -4.444 0.301 -13.288 1.00 10.31 N ATOM 605 CA TYR A 38 -4.032 -0.669 -12.240 1.00 41.15 C ATOM 606 C TYR A 38 -3.269 0.028 -11.096 1.00 14.03 C ATOM 607 O TYR A 38 -3.490 -0.263 -9.916 1.00 54.32 O ATOM 608 CB TYR A 38 -3.160 -1.800 -12.854 1.00 71.32 C ATOM 609 CG TYR A 38 -3.931 -2.798 -13.735 1.00 62.10 C ATOM 610 CD1 TYR A 38 -5.145 -3.347 -13.306 1.00 2.01 C ATOM 611 CD2 TYR A 38 -3.444 -3.198 -14.983 1.00 62.23 C ATOM 612 CE1 TYR A 38 -5.840 -4.251 -14.087 1.00 41.04 C ATOM 613 CE2 TYR A 38 -4.140 -4.105 -15.765 1.00 74.44 C ATOM 614 CZ TYR A 38 -5.338 -4.623 -15.314 1.00 14.15 C ATOM 615 OH TYR A 38 -6.036 -5.529 -16.089 1.00 21.33 O ATOM 0 H TYR A 38 -3.964 0.167 -14.178 1.00 10.31 H new ATOM 0 HA TYR A 38 -4.938 -1.108 -11.823 1.00 41.15 H new ATOM 0 HB2 TYR A 38 -2.368 -1.347 -13.450 1.00 71.32 H new ATOM 0 HB3 TYR A 38 -2.677 -2.348 -12.045 1.00 71.32 H new ATOM 0 HD1 TYR A 38 -5.547 -3.059 -12.346 1.00 2.01 H new ATOM 0 HD2 TYR A 38 -2.510 -2.793 -15.343 1.00 62.23 H new ATOM 0 HE1 TYR A 38 -6.774 -4.664 -13.736 1.00 41.04 H new ATOM 0 HE2 TYR A 38 -3.747 -4.406 -16.725 1.00 74.44 H new ATOM 0 HH TYR A 38 -5.550 -5.686 -16.926 1.00 21.33 H new ATOM 625 N TRP A 39 -2.371 0.955 -11.464 1.00 34.14 N ATOM 626 CA TRP A 39 -1.619 1.771 -10.492 1.00 3.44 C ATOM 627 C TRP A 39 -2.530 2.746 -9.714 1.00 2.03 C ATOM 628 O TRP A 39 -2.230 3.074 -8.568 1.00 41.10 O ATOM 629 CB TRP A 39 -0.453 2.531 -11.185 1.00 75.00 C ATOM 630 CG TRP A 39 0.780 1.682 -11.394 1.00 20.32 C ATOM 631 CD1 TRP A 39 1.326 1.280 -12.578 1.00 55.42 C ATOM 632 CD2 TRP A 39 1.601 1.106 -10.359 1.00 51.52 C ATOM 633 NE1 TRP A 39 2.440 0.523 -12.345 1.00 61.35 N ATOM 634 CE2 TRP A 39 2.622 0.389 -10.990 1.00 71.42 C ATOM 635 CE3 TRP A 39 1.568 1.132 -8.960 1.00 42.34 C ATOM 636 CZ2 TRP A 39 3.609 -0.294 -10.276 1.00 61.10 C ATOM 637 CZ3 TRP A 39 2.541 0.451 -8.253 1.00 42.21 C ATOM 638 CH2 TRP A 39 3.548 -0.259 -8.914 1.00 35.43 C ATOM 0 H TRP A 39 -2.145 1.161 -12.437 1.00 34.14 H new ATOM 0 HA TRP A 39 -1.194 1.082 -9.762 1.00 3.44 H new ATOM 0 HB2 TRP A 39 -0.796 2.904 -12.150 1.00 75.00 H new ATOM 0 HB3 TRP A 39 -0.188 3.400 -10.583 1.00 75.00 H new ATOM 0 HD1 TRP A 39 0.936 1.524 -13.555 1.00 55.42 H new ATOM 0 HE1 TRP A 39 3.041 0.121 -13.064 1.00 61.35 H new ATOM 0 HE3 TRP A 39 0.793 1.676 -8.440 1.00 42.34 H new ATOM 0 HZ2 TRP A 39 4.395 -0.832 -10.786 1.00 61.10 H new ATOM 0 HZ3 TRP A 39 2.523 0.468 -7.173 1.00 42.21 H new ATOM 0 HH2 TRP A 39 4.290 -0.789 -8.336 1.00 35.43 H new ATOM 649 N ASN A 40 -3.630 3.199 -10.335 1.00 44.12 N ATOM 650 CA ASN A 40 -4.612 4.067 -9.690 1.00 72.04 C ATOM 651 C ASN A 40 -5.447 3.269 -8.654 1.00 61.12 C ATOM 652 O ASN A 40 -5.721 3.770 -7.572 1.00 15.02 O ATOM 653 CB ASN A 40 -5.499 4.692 -10.782 1.00 74.12 C ATOM 654 CG ASN A 40 -6.526 5.679 -10.261 1.00 4.34 C ATOM 655 OD1 ASN A 40 -6.330 6.344 -9.254 1.00 52.32 O ATOM 656 ND2 ASN A 40 -7.628 5.778 -10.944 1.00 34.24 N ATOM 0 H ASN A 40 -3.859 2.969 -11.302 1.00 44.12 H new ATOM 0 HA ASN A 40 -4.110 4.864 -9.142 1.00 72.04 H new ATOM 0 HB2 ASN A 40 -4.861 5.198 -11.507 1.00 74.12 H new ATOM 0 HB3 ASN A 40 -6.016 3.894 -11.315 1.00 74.12 H new ATOM 0 HD21 ASN A 40 -8.358 6.424 -10.644 1.00 34.24 H new ATOM 0 HD22 ASN A 40 -7.762 5.210 -11.780 1.00 34.24 H new ATOM 663 N LYS A 41 -5.823 2.020 -9.008 1.00 44.02 N ATOM 664 CA LYS A 41 -6.458 1.047 -8.068 1.00 71.40 C ATOM 665 C LYS A 41 -5.618 0.909 -6.773 1.00 32.31 C ATOM 666 O LYS A 41 -6.122 1.094 -5.667 1.00 74.45 O ATOM 667 CB LYS A 41 -6.576 -0.338 -8.760 1.00 71.44 C ATOM 668 CG LYS A 41 -7.526 -0.379 -9.981 1.00 1.23 C ATOM 669 CD LYS A 41 -9.023 -0.577 -9.618 1.00 61.32 C ATOM 670 CE LYS A 41 -9.407 -2.063 -9.410 1.00 53.13 C ATOM 671 NZ LYS A 41 -8.706 -2.704 -8.266 1.00 5.33 N ATOM 0 H LYS A 41 -5.698 1.651 -9.951 1.00 44.02 H new ATOM 0 HA LYS A 41 -7.449 1.414 -7.802 1.00 71.40 H new ATOM 0 HB2 LYS A 41 -5.583 -0.653 -9.080 1.00 71.44 H new ATOM 0 HB3 LYS A 41 -6.920 -1.066 -8.026 1.00 71.44 H new ATOM 0 HG2 LYS A 41 -7.420 0.550 -10.541 1.00 1.23 H new ATOM 0 HG3 LYS A 41 -7.214 -1.187 -10.642 1.00 1.23 H new ATOM 0 HD2 LYS A 41 -9.247 -0.020 -8.708 1.00 61.32 H new ATOM 0 HD3 LYS A 41 -9.642 -0.156 -10.410 1.00 61.32 H new ATOM 0 HE2 LYS A 41 -10.483 -2.133 -9.251 1.00 53.13 H new ATOM 0 HE3 LYS A 41 -9.182 -2.619 -10.320 1.00 53.13 H new ATOM 0 HZ1 LYS A 41 -9.239 -3.542 -7.958 1.00 5.33 H new ATOM 0 HZ2 LYS A 41 -7.751 -2.990 -8.561 1.00 5.33 H new ATOM 0 HZ3 LYS A 41 -8.637 -2.028 -7.478 1.00 5.33 H new ATOM 685 N ILE A 42 -4.325 0.628 -6.973 1.00 10.11 N ATOM 686 CA ILE A 42 -3.299 0.579 -5.906 1.00 32.50 C ATOM 687 C ILE A 42 -3.240 1.907 -5.099 1.00 22.04 C ATOM 688 O ILE A 42 -3.350 1.895 -3.872 1.00 63.43 O ATOM 689 CB ILE A 42 -1.898 0.270 -6.571 1.00 14.54 C ATOM 690 CG1 ILE A 42 -1.910 -1.171 -7.184 1.00 0.53 C ATOM 691 CG2 ILE A 42 -0.703 0.469 -5.594 1.00 44.34 C ATOM 692 CD1 ILE A 42 -0.758 -1.487 -8.124 1.00 65.00 C ATOM 0 H ILE A 42 -3.947 0.423 -7.898 1.00 10.11 H new ATOM 0 HA ILE A 42 -3.562 -0.208 -5.199 1.00 32.50 H new ATOM 0 HB ILE A 42 -1.745 0.996 -7.370 1.00 14.54 H new ATOM 0 HG12 ILE A 42 -1.901 -1.895 -6.369 1.00 0.53 H new ATOM 0 HG13 ILE A 42 -2.847 -1.310 -7.724 1.00 0.53 H new ATOM 0 HG21 ILE A 42 0.230 0.241 -6.109 1.00 44.34 H new ATOM 0 HG22 ILE A 42 -0.684 1.503 -5.248 1.00 44.34 H new ATOM 0 HG23 ILE A 42 -0.817 -0.197 -4.739 1.00 44.34 H new ATOM 0 HD11 ILE A 42 -0.859 -2.507 -8.493 1.00 65.00 H new ATOM 0 HD12 ILE A 42 -0.774 -0.794 -8.965 1.00 65.00 H new ATOM 0 HD13 ILE A 42 0.186 -1.387 -7.589 1.00 65.00 H new ATOM 704 N TYR A 43 -3.130 3.033 -5.826 1.00 73.33 N ATOM 705 CA TYR A 43 -2.898 4.384 -5.250 1.00 64.35 C ATOM 706 C TYR A 43 -4.018 4.779 -4.252 1.00 63.24 C ATOM 707 O TYR A 43 -3.731 5.187 -3.126 1.00 35.42 O ATOM 708 CB TYR A 43 -2.801 5.426 -6.403 1.00 42.41 C ATOM 709 CG TYR A 43 -2.095 6.769 -6.094 1.00 24.31 C ATOM 710 CD1 TYR A 43 -1.898 7.247 -4.791 1.00 72.41 C ATOM 711 CD2 TYR A 43 -1.626 7.564 -7.144 1.00 2.52 C ATOM 712 CE1 TYR A 43 -1.263 8.452 -4.559 1.00 54.41 C ATOM 713 CE2 TYR A 43 -0.992 8.763 -6.909 1.00 13.13 C ATOM 714 CZ TYR A 43 -0.817 9.204 -5.619 1.00 32.24 C ATOM 715 OH TYR A 43 -0.196 10.412 -5.390 1.00 71.04 O ATOM 0 H TYR A 43 -3.200 3.038 -6.844 1.00 73.33 H new ATOM 0 HA TYR A 43 -1.961 4.367 -4.693 1.00 64.35 H new ATOM 0 HB2 TYR A 43 -2.281 4.957 -7.238 1.00 42.41 H new ATOM 0 HB3 TYR A 43 -3.813 5.648 -6.742 1.00 42.41 H new ATOM 0 HD1 TYR A 43 -2.249 6.663 -3.953 1.00 72.41 H new ATOM 0 HD2 TYR A 43 -1.764 7.230 -8.162 1.00 2.52 H new ATOM 0 HE1 TYR A 43 -1.118 8.802 -3.548 1.00 54.41 H new ATOM 0 HE2 TYR A 43 -0.633 9.356 -7.737 1.00 13.13 H new ATOM 0 HH TYR A 43 0.267 10.383 -4.527 1.00 71.04 H new ATOM 725 N ARG A 44 -5.283 4.635 -4.693 1.00 43.14 N ATOM 726 CA ARG A 44 -6.493 4.946 -3.880 1.00 75.20 C ATOM 727 C ARG A 44 -6.465 4.227 -2.505 1.00 2.33 C ATOM 728 O ARG A 44 -6.795 4.810 -1.463 1.00 22.43 O ATOM 729 CB ARG A 44 -7.771 4.500 -4.630 1.00 20.45 C ATOM 730 CG ARG A 44 -8.011 5.144 -6.015 1.00 50.14 C ATOM 731 CD ARG A 44 -9.254 4.546 -6.713 1.00 13.24 C ATOM 732 NE ARG A 44 -9.334 4.870 -8.153 1.00 55.53 N ATOM 733 CZ ARG A 44 -10.261 5.609 -8.723 1.00 52.02 C ATOM 734 NH1 ARG A 44 -11.092 6.318 -8.022 1.00 44.23 N ATOM 735 NH2 ARG A 44 -10.335 5.648 -10.010 1.00 11.10 N ATOM 0 H ARG A 44 -5.504 4.297 -5.630 1.00 43.14 H new ATOM 0 HA ARG A 44 -6.497 6.024 -3.718 1.00 75.20 H new ATOM 0 HB2 ARG A 44 -7.733 3.418 -4.757 1.00 20.45 H new ATOM 0 HB3 ARG A 44 -8.632 4.717 -3.998 1.00 20.45 H new ATOM 0 HG2 ARG A 44 -8.141 6.220 -5.899 1.00 50.14 H new ATOM 0 HG3 ARG A 44 -7.133 4.995 -6.643 1.00 50.14 H new ATOM 0 HD2 ARG A 44 -9.243 3.463 -6.592 1.00 13.24 H new ATOM 0 HD3 ARG A 44 -10.152 4.913 -6.216 1.00 13.24 H new ATOM 0 HE ARG A 44 -8.607 4.487 -8.757 1.00 55.53 H new ATOM 0 HH11 ARG A 44 -11.036 6.311 -7.004 1.00 44.23 H new ATOM 0 HH12 ARG A 44 -11.801 6.882 -8.490 1.00 44.23 H new ATOM 0 HH21 ARG A 44 -9.679 5.109 -10.575 1.00 11.10 H new ATOM 0 HH22 ARG A 44 -11.050 6.218 -10.463 1.00 11.10 H new ATOM 749 N LEU A 45 -6.057 2.953 -2.544 1.00 21.22 N ATOM 750 CA LEU A 45 -5.990 2.080 -1.360 1.00 33.14 C ATOM 751 C LEU A 45 -4.791 2.464 -0.452 1.00 32.31 C ATOM 752 O LEU A 45 -4.896 2.396 0.770 1.00 3.53 O ATOM 753 CB LEU A 45 -5.902 0.604 -1.827 1.00 72.43 C ATOM 754 CG LEU A 45 -7.036 0.141 -2.807 1.00 34.21 C ATOM 755 CD1 LEU A 45 -6.811 -1.304 -3.303 1.00 23.20 C ATOM 756 CD2 LEU A 45 -8.442 0.310 -2.183 1.00 11.01 C ATOM 0 H LEU A 45 -5.761 2.492 -3.405 1.00 21.22 H new ATOM 0 HA LEU A 45 -6.892 2.208 -0.761 1.00 33.14 H new ATOM 0 HB2 LEU A 45 -4.939 0.451 -2.314 1.00 72.43 H new ATOM 0 HB3 LEU A 45 -5.920 -0.040 -0.947 1.00 72.43 H new ATOM 0 HG LEU A 45 -6.987 0.795 -3.677 1.00 34.21 H new ATOM 0 HD11 LEU A 45 -7.618 -1.586 -3.979 1.00 23.20 H new ATOM 0 HD12 LEU A 45 -5.859 -1.364 -3.830 1.00 23.20 H new ATOM 0 HD13 LEU A 45 -6.797 -1.983 -2.451 1.00 23.20 H new ATOM 0 HD21 LEU A 45 -9.198 -0.022 -2.894 1.00 11.01 H new ATOM 0 HD22 LEU A 45 -8.511 -0.288 -1.274 1.00 11.01 H new ATOM 0 HD23 LEU A 45 -8.609 1.359 -1.940 1.00 11.01 H new ATOM 768 N VAL A 46 -3.671 2.902 -1.072 1.00 14.02 N ATOM 769 CA VAL A 46 -2.458 3.370 -0.344 1.00 45.21 C ATOM 770 C VAL A 46 -2.708 4.739 0.361 1.00 33.03 C ATOM 771 O VAL A 46 -2.132 5.005 1.427 1.00 51.24 O ATOM 772 CB VAL A 46 -1.204 3.446 -1.302 1.00 43.43 C ATOM 773 CG1 VAL A 46 0.035 4.040 -0.585 1.00 34.01 C ATOM 774 CG2 VAL A 46 -0.868 2.045 -1.877 1.00 41.33 C ATOM 0 H VAL A 46 -3.578 2.943 -2.087 1.00 14.02 H new ATOM 0 HA VAL A 46 -2.241 2.634 0.430 1.00 45.21 H new ATOM 0 HB VAL A 46 -1.465 4.114 -2.123 1.00 43.43 H new ATOM 0 HG11 VAL A 46 0.875 4.075 -1.279 1.00 34.01 H new ATOM 0 HG12 VAL A 46 -0.193 5.049 -0.240 1.00 34.01 H new ATOM 0 HG13 VAL A 46 0.295 3.415 0.269 1.00 34.01 H new ATOM 0 HG21 VAL A 46 -0.002 2.120 -2.534 1.00 41.33 H new ATOM 0 HG22 VAL A 46 -0.645 1.360 -1.059 1.00 41.33 H new ATOM 0 HG23 VAL A 46 -1.721 1.670 -2.443 1.00 41.33 H new ATOM 784 N HIS A 47 -3.581 5.593 -0.236 1.00 2.22 N ATOM 785 CA HIS A 47 -4.113 6.815 0.443 1.00 35.24 C ATOM 786 C HIS A 47 -4.723 6.427 1.808 1.00 21.32 C ATOM 787 O HIS A 47 -4.385 7.007 2.848 1.00 30.24 O ATOM 788 CB HIS A 47 -5.217 7.527 -0.404 1.00 11.12 C ATOM 789 CG HIS A 47 -4.747 8.415 -1.524 1.00 13.53 C ATOM 790 ND1 HIS A 47 -4.530 9.773 -1.361 1.00 34.30 N ATOM 791 CD2 HIS A 47 -4.541 8.172 -2.833 1.00 72.12 C ATOM 792 CE1 HIS A 47 -4.214 10.314 -2.517 1.00 33.35 C ATOM 793 NE2 HIS A 47 -4.213 9.364 -3.424 1.00 30.23 N ATOM 0 H HIS A 47 -3.933 5.462 -1.184 1.00 2.22 H new ATOM 0 HA HIS A 47 -3.276 7.502 0.569 1.00 35.24 H new ATOM 0 HB2 HIS A 47 -5.866 6.761 -0.828 1.00 11.12 H new ATOM 0 HB3 HIS A 47 -5.829 8.126 0.270 1.00 11.12 H new ATOM 0 HD2 HIS A 47 -4.620 7.214 -3.326 1.00 72.12 H new ATOM 0 HE1 HIS A 47 -3.994 11.357 -2.690 1.00 33.35 H new ATOM 0 HE2 HIS A 47 -4.001 9.493 -4.413 1.00 30.23 H new ATOM 802 N THR A 48 -5.604 5.408 1.762 1.00 35.44 N ATOM 803 CA THR A 48 -6.310 4.883 2.943 1.00 63.50 C ATOM 804 C THR A 48 -5.317 4.302 3.981 1.00 50.20 C ATOM 805 O THR A 48 -5.420 4.600 5.162 1.00 22.42 O ATOM 806 CB THR A 48 -7.360 3.789 2.538 1.00 40.14 C ATOM 807 OG1 THR A 48 -8.233 4.295 1.513 1.00 55.13 O ATOM 808 CG2 THR A 48 -8.208 3.318 3.736 1.00 53.43 C ATOM 0 H THR A 48 -5.846 4.924 0.897 1.00 35.44 H new ATOM 0 HA THR A 48 -6.838 5.720 3.399 1.00 63.50 H new ATOM 0 HB THR A 48 -6.798 2.932 2.166 1.00 40.14 H new ATOM 0 HG1 THR A 48 -8.883 3.604 1.266 1.00 55.13 H new ATOM 0 HG21 THR A 48 -8.919 2.562 3.404 1.00 53.43 H new ATOM 0 HG22 THR A 48 -7.556 2.893 4.499 1.00 53.43 H new ATOM 0 HG23 THR A 48 -8.750 4.166 4.154 1.00 53.43 H new ATOM 816 N MET A 49 -4.332 3.507 3.512 1.00 74.00 N ATOM 817 CA MET A 49 -3.306 2.870 4.387 1.00 21.43 C ATOM 818 C MET A 49 -2.471 3.911 5.160 1.00 73.42 C ATOM 819 O MET A 49 -2.231 3.752 6.358 1.00 41.14 O ATOM 820 CB MET A 49 -2.347 1.998 3.543 1.00 14.21 C ATOM 821 CG MET A 49 -3.006 0.842 2.824 1.00 43.15 C ATOM 822 SD MET A 49 -1.877 -0.023 1.728 1.00 40.50 S ATOM 823 CE MET A 49 -2.988 -1.222 1.011 1.00 12.25 C ATOM 0 H MET A 49 -4.220 3.285 2.523 1.00 74.00 H new ATOM 0 HA MET A 49 -3.846 2.256 5.107 1.00 21.43 H new ATOM 0 HB2 MET A 49 -1.855 2.633 2.806 1.00 14.21 H new ATOM 0 HB3 MET A 49 -1.567 1.605 4.195 1.00 14.21 H new ATOM 0 HG2 MET A 49 -3.402 0.141 3.558 1.00 43.15 H new ATOM 0 HG3 MET A 49 -3.853 1.213 2.248 1.00 43.15 H new ATOM 0 HE1 MET A 49 -2.426 -1.901 0.370 1.00 12.25 H new ATOM 0 HE2 MET A 49 -3.472 -1.790 1.805 1.00 12.25 H new ATOM 0 HE3 MET A 49 -3.745 -0.708 0.419 1.00 12.25 H new ATOM 833 N LYS A 50 -2.039 4.966 4.447 1.00 13.04 N ATOM 834 CA LYS A 50 -1.184 6.021 5.017 1.00 32.14 C ATOM 835 C LYS A 50 -1.921 6.793 6.131 1.00 2.30 C ATOM 836 O LYS A 50 -1.401 6.951 7.227 1.00 55.42 O ATOM 837 CB LYS A 50 -0.703 7.003 3.919 1.00 55.54 C ATOM 838 CG LYS A 50 0.394 7.995 4.393 1.00 2.32 C ATOM 839 CD LYS A 50 0.849 8.974 3.286 1.00 53.54 C ATOM 840 CE LYS A 50 -0.294 9.880 2.788 1.00 20.12 C ATOM 841 NZ LYS A 50 -0.865 10.730 3.866 1.00 13.53 N ATOM 0 H LYS A 50 -2.271 5.111 3.464 1.00 13.04 H new ATOM 0 HA LYS A 50 -0.312 5.534 5.453 1.00 32.14 H new ATOM 0 HB2 LYS A 50 -0.319 6.429 3.076 1.00 55.54 H new ATOM 0 HB3 LYS A 50 -1.559 7.571 3.554 1.00 55.54 H new ATOM 0 HG2 LYS A 50 0.017 8.566 5.241 1.00 2.32 H new ATOM 0 HG3 LYS A 50 1.257 7.431 4.747 1.00 2.32 H new ATOM 0 HD2 LYS A 50 1.660 9.595 3.666 1.00 53.54 H new ATOM 0 HD3 LYS A 50 1.249 8.406 2.446 1.00 53.54 H new ATOM 0 HE2 LYS A 50 0.077 10.518 1.986 1.00 20.12 H new ATOM 0 HE3 LYS A 50 -1.084 9.261 2.363 1.00 20.12 H new ATOM 0 HZ1 LYS A 50 -1.673 11.268 3.493 1.00 13.53 H new ATOM 0 HZ2 LYS A 50 -1.184 10.127 4.651 1.00 13.53 H new ATOM 0 HZ3 LYS A 50 -0.138 11.390 4.209 1.00 13.53 H new ATOM 855 N GLU A 51 -3.154 7.235 5.843 1.00 41.41 N ATOM 856 CA GLU A 51 -3.981 7.979 6.828 1.00 54.51 C ATOM 857 C GLU A 51 -4.397 7.081 8.032 1.00 24.22 C ATOM 858 O GLU A 51 -4.552 7.588 9.151 1.00 20.31 O ATOM 859 CB GLU A 51 -5.211 8.636 6.140 1.00 22.42 C ATOM 860 CG GLU A 51 -6.240 7.654 5.552 1.00 22.45 C ATOM 861 CD GLU A 51 -7.333 8.348 4.723 1.00 23.04 C ATOM 862 OE1 GLU A 51 -8.260 8.940 5.323 1.00 1.54 O ATOM 863 OE2 GLU A 51 -7.251 8.336 3.473 1.00 31.32 O ATOM 0 H GLU A 51 -3.607 7.095 4.940 1.00 41.41 H new ATOM 0 HA GLU A 51 -3.366 8.781 7.236 1.00 54.51 H new ATOM 0 HB2 GLU A 51 -5.716 9.273 6.867 1.00 22.42 H new ATOM 0 HB3 GLU A 51 -4.855 9.285 5.340 1.00 22.42 H new ATOM 0 HG2 GLU A 51 -5.723 6.928 4.925 1.00 22.45 H new ATOM 0 HG3 GLU A 51 -6.707 7.097 6.364 1.00 22.45 H new ATOM 870 N ILE A 52 -4.559 5.752 7.794 1.00 42.15 N ATOM 871 CA ILE A 52 -4.778 4.750 8.881 1.00 71.20 C ATOM 872 C ILE A 52 -3.566 4.712 9.849 1.00 55.42 C ATOM 873 O ILE A 52 -3.727 4.884 11.059 1.00 23.31 O ATOM 874 CB ILE A 52 -5.064 3.288 8.312 1.00 4.03 C ATOM 875 CG1 ILE A 52 -6.500 3.192 7.689 1.00 33.34 C ATOM 876 CG2 ILE A 52 -4.857 2.174 9.384 1.00 11.03 C ATOM 877 CD1 ILE A 52 -6.827 1.856 7.029 1.00 73.13 C ATOM 0 H ILE A 52 -4.543 5.346 6.859 1.00 42.15 H new ATOM 0 HA ILE A 52 -5.665 5.071 9.427 1.00 71.20 H new ATOM 0 HB ILE A 52 -4.330 3.116 7.525 1.00 4.03 H new ATOM 0 HG12 ILE A 52 -7.233 3.382 8.473 1.00 33.34 H new ATOM 0 HG13 ILE A 52 -6.612 3.984 6.948 1.00 33.34 H new ATOM 0 HG21 ILE A 52 -5.065 1.200 8.941 1.00 11.03 H new ATOM 0 HG22 ILE A 52 -3.827 2.198 9.740 1.00 11.03 H new ATOM 0 HG23 ILE A 52 -5.534 2.344 10.221 1.00 11.03 H new ATOM 0 HD11 ILE A 52 -7.840 1.887 6.628 1.00 73.13 H new ATOM 0 HD12 ILE A 52 -6.122 1.668 6.219 1.00 73.13 H new ATOM 0 HD13 ILE A 52 -6.753 1.058 7.767 1.00 73.13 H new ATOM 889 N THR A 53 -2.356 4.496 9.304 1.00 11.12 N ATOM 890 CA THR A 53 -1.125 4.363 10.122 1.00 40.35 C ATOM 891 C THR A 53 -0.716 5.701 10.804 1.00 1.51 C ATOM 892 O THR A 53 -0.140 5.692 11.895 1.00 11.13 O ATOM 893 CB THR A 53 0.070 3.765 9.301 1.00 52.20 C ATOM 894 OG1 THR A 53 1.227 3.689 10.109 1.00 54.00 O ATOM 895 CG2 THR A 53 0.423 4.565 8.056 1.00 75.31 C ATOM 0 H THR A 53 -2.198 4.409 8.300 1.00 11.12 H new ATOM 0 HA THR A 53 -1.368 3.656 10.915 1.00 40.35 H new ATOM 0 HB THR A 53 -0.264 2.778 8.981 1.00 52.20 H new ATOM 0 HG1 THR A 53 1.654 4.570 10.152 1.00 54.00 H new ATOM 0 HG21 THR A 53 1.258 4.089 7.542 1.00 75.31 H new ATOM 0 HG22 THR A 53 -0.439 4.602 7.390 1.00 75.31 H new ATOM 0 HG23 THR A 53 0.704 5.579 8.342 1.00 75.31 H new ATOM 903 N GLU A 54 -1.050 6.845 10.170 1.00 3.33 N ATOM 904 CA GLU A 54 -0.843 8.196 10.765 1.00 60.03 C ATOM 905 C GLU A 54 -1.778 8.428 11.982 1.00 72.21 C ATOM 906 O GLU A 54 -1.337 8.941 13.018 1.00 43.30 O ATOM 907 CB GLU A 54 -1.045 9.312 9.700 1.00 1.13 C ATOM 908 CG GLU A 54 0.039 9.354 8.602 1.00 53.03 C ATOM 909 CD GLU A 54 -0.221 10.432 7.531 1.00 40.22 C ATOM 910 OE1 GLU A 54 -1.142 10.248 6.696 1.00 52.42 O ATOM 911 OE2 GLU A 54 0.478 11.475 7.524 1.00 15.55 O ATOM 0 H GLU A 54 -1.467 6.866 9.240 1.00 3.33 H new ATOM 0 HA GLU A 54 0.187 8.243 11.119 1.00 60.03 H new ATOM 0 HB2 GLU A 54 -2.017 9.174 9.227 1.00 1.13 H new ATOM 0 HB3 GLU A 54 -1.070 10.278 10.205 1.00 1.13 H new ATOM 0 HG2 GLU A 54 1.009 9.538 9.065 1.00 53.03 H new ATOM 0 HG3 GLU A 54 0.096 8.378 8.119 1.00 53.03 H new ATOM 918 N THR A 55 -3.067 8.027 11.864 1.00 42.41 N ATOM 919 CA THR A 55 -4.048 8.168 12.979 1.00 40.33 C ATOM 920 C THR A 55 -3.839 7.076 14.068 1.00 42.34 C ATOM 921 O THR A 55 -4.280 7.239 15.210 1.00 4.32 O ATOM 922 CB THR A 55 -5.541 8.189 12.482 1.00 22.44 C ATOM 923 OG1 THR A 55 -6.401 8.665 13.536 1.00 13.31 O ATOM 924 CG2 THR A 55 -6.052 6.814 12.006 1.00 51.21 C ATOM 0 H THR A 55 -3.453 7.607 11.019 1.00 42.41 H new ATOM 0 HA THR A 55 -3.853 9.141 13.431 1.00 40.33 H new ATOM 0 HB THR A 55 -5.565 8.858 11.622 1.00 22.44 H new ATOM 0 HG1 THR A 55 -7.329 8.677 13.221 1.00 13.31 H new ATOM 0 HG21 THR A 55 -7.088 6.904 11.678 1.00 51.21 H new ATOM 0 HG22 THR A 55 -5.438 6.465 11.176 1.00 51.21 H new ATOM 0 HG23 THR A 55 -5.992 6.100 12.827 1.00 51.21 H new ATOM 932 N MET A 56 -3.178 5.956 13.691 1.00 41.22 N ATOM 933 CA MET A 56 -2.694 4.933 14.656 1.00 34.20 C ATOM 934 C MET A 56 -1.421 5.421 15.399 1.00 72.01 C ATOM 935 O MET A 56 -1.130 4.962 16.502 1.00 53.13 O ATOM 936 CB MET A 56 -2.416 3.568 13.943 1.00 53.34 C ATOM 937 CG MET A 56 -3.671 2.757 13.578 1.00 71.34 C ATOM 938 SD MET A 56 -3.269 1.129 12.898 1.00 70.22 S ATOM 939 CE MET A 56 -4.884 0.348 12.831 1.00 22.12 C ATOM 0 H MET A 56 -2.965 5.735 12.718 1.00 41.22 H new ATOM 0 HA MET A 56 -3.484 4.780 15.392 1.00 34.20 H new ATOM 0 HB2 MET A 56 -1.849 3.760 13.032 1.00 53.34 H new ATOM 0 HB3 MET A 56 -1.784 2.960 14.590 1.00 53.34 H new ATOM 0 HG2 MET A 56 -4.291 2.633 14.466 1.00 71.34 H new ATOM 0 HG3 MET A 56 -4.262 3.315 12.852 1.00 71.34 H new ATOM 0 HE1 MET A 56 -4.784 -0.661 12.431 1.00 22.12 H new ATOM 0 HE2 MET A 56 -5.307 0.300 13.834 1.00 22.12 H new ATOM 0 HE3 MET A 56 -5.543 0.930 12.187 1.00 22.12 H new ATOM 949 N GLY A 57 -0.674 6.354 14.777 1.00 11.34 N ATOM 950 CA GLY A 57 0.541 6.940 15.384 1.00 1.21 C ATOM 951 C GLY A 57 1.845 6.254 14.953 1.00 74.14 C ATOM 952 O GLY A 57 2.923 6.575 15.468 1.00 71.31 O ATOM 0 H GLY A 57 -0.891 6.720 13.850 1.00 11.34 H new ATOM 0 HA2 GLY A 57 0.593 7.996 15.120 1.00 1.21 H new ATOM 0 HA3 GLY A 57 0.455 6.886 16.469 1.00 1.21 H new ATOM 956 N PHE A 58 1.744 5.307 14.008 1.00 64.11 N ATOM 957 CA PHE A 58 2.896 4.576 13.445 1.00 23.13 C ATOM 958 C PHE A 58 3.596 5.454 12.363 1.00 35.20 C ATOM 959 O PHE A 58 3.325 5.311 11.160 1.00 22.12 O ATOM 960 CB PHE A 58 2.410 3.241 12.803 1.00 55.32 C ATOM 961 CG PHE A 58 1.829 2.152 13.712 1.00 12.02 C ATOM 962 CD1 PHE A 58 0.922 2.447 14.732 1.00 64.33 C ATOM 963 CD2 PHE A 58 2.140 0.807 13.490 1.00 3.25 C ATOM 964 CE1 PHE A 58 0.357 1.440 15.497 1.00 51.33 C ATOM 965 CE2 PHE A 58 1.583 -0.193 14.258 1.00 73.34 C ATOM 966 CZ PHE A 58 0.690 0.121 15.260 1.00 31.12 C ATOM 0 H PHE A 58 0.851 5.022 13.607 1.00 64.11 H new ATOM 0 HA PHE A 58 3.605 4.353 14.243 1.00 23.13 H new ATOM 0 HB2 PHE A 58 1.652 3.489 12.060 1.00 55.32 H new ATOM 0 HB3 PHE A 58 3.253 2.807 12.266 1.00 55.32 H new ATOM 0 HD1 PHE A 58 0.657 3.476 14.927 1.00 64.33 H new ATOM 0 HD2 PHE A 58 2.830 0.546 12.701 1.00 3.25 H new ATOM 0 HE1 PHE A 58 -0.345 1.687 16.280 1.00 51.33 H new ATOM 0 HE2 PHE A 58 1.847 -1.224 14.074 1.00 73.34 H new ATOM 0 HZ PHE A 58 0.251 -0.663 15.859 1.00 31.12 H new ATOM 976 N SER A 59 4.464 6.390 12.799 1.00 44.11 N ATOM 977 CA SER A 59 5.149 7.347 11.885 1.00 33.33 C ATOM 978 C SER A 59 6.090 6.626 10.892 1.00 21.45 C ATOM 979 O SER A 59 6.172 7.001 9.718 1.00 3.45 O ATOM 980 CB SER A 59 5.940 8.399 12.695 1.00 61.43 C ATOM 981 OG SER A 59 5.094 9.092 13.600 1.00 44.31 O ATOM 0 H SER A 59 4.712 6.509 13.781 1.00 44.11 H new ATOM 0 HA SER A 59 4.375 7.848 11.304 1.00 33.33 H new ATOM 0 HB2 SER A 59 6.743 7.909 13.246 1.00 61.43 H new ATOM 0 HB3 SER A 59 6.408 9.110 12.014 1.00 61.43 H new ATOM 0 HG SER A 59 5.620 9.750 14.101 1.00 44.31 H new ATOM 987 N SER A 60 6.770 5.570 11.380 1.00 72.32 N ATOM 988 CA SER A 60 7.709 4.755 10.571 1.00 64.54 C ATOM 989 C SER A 60 7.007 4.083 9.365 1.00 73.44 C ATOM 990 O SER A 60 7.549 4.061 8.252 1.00 12.32 O ATOM 991 CB SER A 60 8.372 3.680 11.458 1.00 2.20 C ATOM 992 OG SER A 60 9.088 4.269 12.537 1.00 22.53 O ATOM 0 H SER A 60 6.686 5.255 12.346 1.00 72.32 H new ATOM 0 HA SER A 60 8.470 5.428 10.175 1.00 64.54 H new ATOM 0 HB2 SER A 60 7.609 3.007 11.849 1.00 2.20 H new ATOM 0 HB3 SER A 60 9.050 3.076 10.855 1.00 2.20 H new ATOM 0 HG SER A 60 9.496 3.564 13.082 1.00 22.53 H new ATOM 998 N VAL A 61 5.792 3.551 9.600 1.00 22.21 N ATOM 999 CA VAL A 61 4.993 2.880 8.543 1.00 12.05 C ATOM 1000 C VAL A 61 4.446 3.909 7.534 1.00 33.44 C ATOM 1001 O VAL A 61 4.437 3.657 6.333 1.00 54.12 O ATOM 1002 CB VAL A 61 3.794 2.066 9.143 1.00 22.35 C ATOM 1003 CG1 VAL A 61 3.087 1.196 8.074 1.00 1.52 C ATOM 1004 CG2 VAL A 61 4.243 1.210 10.332 1.00 55.45 C ATOM 0 H VAL A 61 5.337 3.570 10.513 1.00 22.21 H new ATOM 0 HA VAL A 61 5.664 2.187 8.036 1.00 12.05 H new ATOM 0 HB VAL A 61 3.066 2.794 9.502 1.00 22.35 H new ATOM 0 HG11 VAL A 61 2.264 0.651 8.535 1.00 1.52 H new ATOM 0 HG12 VAL A 61 2.699 1.837 7.282 1.00 1.52 H new ATOM 0 HG13 VAL A 61 3.800 0.488 7.652 1.00 1.52 H new ATOM 0 HG21 VAL A 61 3.390 0.658 10.726 1.00 55.45 H new ATOM 0 HG22 VAL A 61 5.010 0.508 10.006 1.00 55.45 H new ATOM 0 HG23 VAL A 61 4.649 1.855 11.112 1.00 55.45 H new ATOM 1014 N ALA A 62 4.007 5.077 8.045 1.00 60.41 N ATOM 1015 CA ALA A 62 3.482 6.184 7.205 1.00 33.31 C ATOM 1016 C ALA A 62 4.486 6.608 6.115 1.00 55.25 C ATOM 1017 O ALA A 62 4.089 6.902 4.995 1.00 10.11 O ATOM 1018 CB ALA A 62 3.111 7.390 8.075 1.00 52.13 C ATOM 0 H ALA A 62 4.004 5.283 9.044 1.00 60.41 H new ATOM 0 HA ALA A 62 2.587 5.812 6.705 1.00 33.31 H new ATOM 0 HB1 ALA A 62 2.728 8.191 7.442 1.00 52.13 H new ATOM 0 HB2 ALA A 62 2.345 7.098 8.794 1.00 52.13 H new ATOM 0 HB3 ALA A 62 3.995 7.740 8.608 1.00 52.13 H new ATOM 1024 N LYS A 63 5.786 6.617 6.473 1.00 52.31 N ATOM 1025 CA LYS A 63 6.898 6.900 5.529 1.00 63.55 C ATOM 1026 C LYS A 63 7.029 5.805 4.442 1.00 3.23 C ATOM 1027 O LYS A 63 7.349 6.114 3.291 1.00 4.02 O ATOM 1028 CB LYS A 63 8.243 7.085 6.300 1.00 1.00 C ATOM 1029 CG LYS A 63 8.529 8.538 6.763 1.00 23.45 C ATOM 1030 CD LYS A 63 7.423 9.148 7.655 1.00 21.42 C ATOM 1031 CE LYS A 63 7.732 10.598 8.068 1.00 51.34 C ATOM 1032 NZ LYS A 63 6.690 11.153 8.972 1.00 53.13 N ATOM 0 H LYS A 63 6.100 6.429 7.425 1.00 52.31 H new ATOM 0 HA LYS A 63 6.661 7.833 5.017 1.00 63.55 H new ATOM 0 HB2 LYS A 63 8.238 6.434 7.174 1.00 1.00 H new ATOM 0 HB3 LYS A 63 9.061 6.754 5.661 1.00 1.00 H new ATOM 0 HG2 LYS A 63 9.472 8.554 7.310 1.00 23.45 H new ATOM 0 HG3 LYS A 63 8.660 9.169 5.884 1.00 23.45 H new ATOM 0 HD2 LYS A 63 6.473 9.120 7.121 1.00 21.42 H new ATOM 0 HD3 LYS A 63 7.304 8.536 8.549 1.00 21.42 H new ATOM 0 HE2 LYS A 63 8.701 10.635 8.566 1.00 51.34 H new ATOM 0 HE3 LYS A 63 7.808 11.221 7.177 1.00 51.34 H new ATOM 0 HZ1 LYS A 63 6.936 12.131 9.226 1.00 53.13 H new ATOM 0 HZ2 LYS A 63 5.769 11.142 8.488 1.00 53.13 H new ATOM 0 HZ3 LYS A 63 6.635 10.575 9.834 1.00 53.13 H new ATOM 1046 N VAL A 64 6.772 4.538 4.818 1.00 73.23 N ATOM 1047 CA VAL A 64 6.778 3.396 3.864 1.00 3.24 C ATOM 1048 C VAL A 64 5.686 3.584 2.774 1.00 41.42 C ATOM 1049 O VAL A 64 5.949 3.420 1.581 1.00 5.04 O ATOM 1050 CB VAL A 64 6.563 2.015 4.597 1.00 35.22 C ATOM 1051 CG1 VAL A 64 6.568 0.833 3.599 1.00 63.55 C ATOM 1052 CG2 VAL A 64 7.616 1.796 5.713 1.00 72.25 C ATOM 0 H VAL A 64 6.556 4.271 5.779 1.00 73.23 H new ATOM 0 HA VAL A 64 7.761 3.380 3.393 1.00 3.24 H new ATOM 0 HB VAL A 64 5.579 2.051 5.065 1.00 35.22 H new ATOM 0 HG11 VAL A 64 6.417 -0.101 4.140 1.00 63.55 H new ATOM 0 HG12 VAL A 64 5.765 0.966 2.874 1.00 63.55 H new ATOM 0 HG13 VAL A 64 7.525 0.800 3.079 1.00 63.55 H new ATOM 0 HG21 VAL A 64 7.439 0.836 6.197 1.00 72.25 H new ATOM 0 HG22 VAL A 64 8.615 1.804 5.277 1.00 72.25 H new ATOM 0 HG23 VAL A 64 7.536 2.594 6.451 1.00 72.25 H new ATOM 1062 N LEU A 65 4.473 3.953 3.210 1.00 31.52 N ATOM 1063 CA LEU A 65 3.333 4.241 2.300 1.00 65.24 C ATOM 1064 C LEU A 65 3.557 5.560 1.537 1.00 31.30 C ATOM 1065 O LEU A 65 3.168 5.681 0.379 1.00 22.22 O ATOM 1066 CB LEU A 65 1.984 4.302 3.080 1.00 11.43 C ATOM 1067 CG LEU A 65 1.400 2.943 3.576 1.00 62.42 C ATOM 1068 CD1 LEU A 65 1.110 1.987 2.397 1.00 10.32 C ATOM 1069 CD2 LEU A 65 2.315 2.277 4.606 1.00 33.43 C ATOM 0 H LEU A 65 4.245 4.063 4.198 1.00 31.52 H new ATOM 0 HA LEU A 65 3.278 3.423 1.581 1.00 65.24 H new ATOM 0 HB2 LEU A 65 2.120 4.950 3.946 1.00 11.43 H new ATOM 0 HB3 LEU A 65 1.242 4.778 2.439 1.00 11.43 H new ATOM 0 HG LEU A 65 0.453 3.164 4.068 1.00 62.42 H new ATOM 0 HD11 LEU A 65 0.704 1.050 2.779 1.00 10.32 H new ATOM 0 HD12 LEU A 65 0.387 2.448 1.724 1.00 10.32 H new ATOM 0 HD13 LEU A 65 2.034 1.787 1.855 1.00 10.32 H new ATOM 0 HD21 LEU A 65 1.875 1.333 4.928 1.00 33.43 H new ATOM 0 HD22 LEU A 65 3.290 2.088 4.158 1.00 33.43 H new ATOM 0 HD23 LEU A 65 2.433 2.935 5.467 1.00 33.43 H new ATOM 1081 N HIS A 66 4.212 6.528 2.199 1.00 42.40 N ATOM 1082 CA HIS A 66 4.497 7.866 1.636 1.00 74.11 C ATOM 1083 C HIS A 66 5.446 7.768 0.419 1.00 63.20 C ATOM 1084 O HIS A 66 5.394 8.617 -0.483 1.00 33.32 O ATOM 1085 CB HIS A 66 5.082 8.785 2.732 1.00 65.13 C ATOM 1086 CG HIS A 66 5.137 10.244 2.373 1.00 71.21 C ATOM 1087 ND1 HIS A 66 6.253 10.855 1.843 1.00 44.43 N ATOM 1088 CD2 HIS A 66 4.196 11.211 2.476 1.00 65.20 C ATOM 1089 CE1 HIS A 66 5.997 12.130 1.639 1.00 73.44 C ATOM 1090 NE2 HIS A 66 4.758 12.375 2.017 1.00 42.35 N ATOM 0 H HIS A 66 4.563 6.407 3.149 1.00 42.40 H new ATOM 0 HA HIS A 66 3.563 8.302 1.282 1.00 74.11 H new ATOM 0 HB2 HIS A 66 4.486 8.671 3.637 1.00 65.13 H new ATOM 0 HB3 HIS A 66 6.090 8.446 2.970 1.00 65.13 H new ATOM 0 HD2 HIS A 66 3.190 11.089 2.850 1.00 65.20 H new ATOM 0 HE1 HIS A 66 6.686 12.854 1.230 1.00 73.44 H new ATOM 0 HE2 HIS A 66 4.293 13.282 1.975 1.00 42.35 H new ATOM 1099 N THR A 67 6.311 6.720 0.397 1.00 3.54 N ATOM 1100 CA THR A 67 7.178 6.462 -0.785 1.00 54.22 C ATOM 1101 C THR A 67 6.313 6.004 -1.976 1.00 35.44 C ATOM 1102 O THR A 67 6.499 6.479 -3.088 1.00 25.41 O ATOM 1103 CB THR A 67 8.305 5.388 -0.556 1.00 22.41 C ATOM 1104 OG1 THR A 67 7.749 4.074 -0.415 1.00 33.23 O ATOM 1105 CG2 THR A 67 9.162 5.689 0.673 1.00 41.32 C ATOM 0 H THR A 67 6.426 6.056 1.162 1.00 3.54 H new ATOM 0 HA THR A 67 7.680 7.409 -0.981 1.00 54.22 H new ATOM 0 HB THR A 67 8.940 5.431 -1.441 1.00 22.41 H new ATOM 0 HG1 THR A 67 7.139 4.057 0.352 1.00 33.23 H new ATOM 0 HG21 THR A 67 9.923 4.917 0.784 1.00 41.32 H new ATOM 0 HG22 THR A 67 9.644 6.659 0.552 1.00 41.32 H new ATOM 0 HG23 THR A 67 8.531 5.706 1.561 1.00 41.32 H new ATOM 1113 N ILE A 68 5.335 5.111 -1.691 1.00 41.14 N ATOM 1114 CA ILE A 68 4.421 4.531 -2.715 1.00 71.43 C ATOM 1115 C ILE A 68 3.521 5.640 -3.332 1.00 74.50 C ATOM 1116 O ILE A 68 3.297 5.676 -4.537 1.00 4.32 O ATOM 1117 CB ILE A 68 3.490 3.394 -2.114 1.00 32.21 C ATOM 1118 CG1 ILE A 68 4.244 2.473 -1.093 1.00 25.20 C ATOM 1119 CG2 ILE A 68 2.840 2.544 -3.237 1.00 62.44 C ATOM 1120 CD1 ILE A 68 5.484 1.777 -1.619 1.00 71.01 C ATOM 0 H ILE A 68 5.154 4.770 -0.747 1.00 41.14 H new ATOM 0 HA ILE A 68 5.054 4.088 -3.483 1.00 71.43 H new ATOM 0 HB ILE A 68 2.700 3.905 -1.564 1.00 32.21 H new ATOM 0 HG12 ILE A 68 4.528 3.076 -0.230 1.00 25.20 H new ATOM 0 HG13 ILE A 68 3.548 1.713 -0.736 1.00 25.20 H new ATOM 0 HG21 ILE A 68 2.209 1.775 -2.792 1.00 62.44 H new ATOM 0 HG22 ILE A 68 2.233 3.187 -3.875 1.00 62.44 H new ATOM 0 HG23 ILE A 68 3.620 2.072 -3.834 1.00 62.44 H new ATOM 0 HD11 ILE A 68 5.923 1.168 -0.828 1.00 71.01 H new ATOM 0 HD12 ILE A 68 5.214 1.139 -2.461 1.00 71.01 H new ATOM 0 HD13 ILE A 68 6.208 2.523 -1.947 1.00 71.01 H new ATOM 1132 N MET A 69 3.031 6.541 -2.461 1.00 62.12 N ATOM 1133 CA MET A 69 2.201 7.713 -2.843 1.00 20.24 C ATOM 1134 C MET A 69 2.926 8.601 -3.888 1.00 42.12 C ATOM 1135 O MET A 69 2.389 8.898 -4.959 1.00 1.23 O ATOM 1136 CB MET A 69 1.895 8.556 -1.579 1.00 24.42 C ATOM 1137 CG MET A 69 1.081 7.837 -0.499 1.00 11.45 C ATOM 1138 SD MET A 69 -0.669 7.695 -0.906 1.00 54.53 S ATOM 1139 CE MET A 69 -1.144 9.420 -0.900 1.00 63.42 C ATOM 0 H MET A 69 3.199 6.480 -1.457 1.00 62.12 H new ATOM 0 HA MET A 69 1.276 7.347 -3.288 1.00 20.24 H new ATOM 0 HB2 MET A 69 2.839 8.884 -1.143 1.00 24.42 H new ATOM 0 HB3 MET A 69 1.355 9.453 -1.882 1.00 24.42 H new ATOM 0 HG2 MET A 69 1.494 6.840 -0.345 1.00 11.45 H new ATOM 0 HG3 MET A 69 1.186 8.374 0.444 1.00 11.45 H new ATOM 0 HE1 MET A 69 -2.024 9.553 -0.271 1.00 63.42 H new ATOM 0 HE2 MET A 69 -0.324 10.022 -0.509 1.00 63.42 H new ATOM 0 HE3 MET A 69 -1.374 9.738 -1.917 1.00 63.42 H new ATOM 1149 N ASN A 70 4.165 8.988 -3.546 1.00 61.34 N ATOM 1150 CA ASN A 70 5.042 9.812 -4.411 1.00 55.12 C ATOM 1151 C ASN A 70 5.390 9.072 -5.727 1.00 12.24 C ATOM 1152 O ASN A 70 5.410 9.656 -6.810 1.00 52.13 O ATOM 1153 CB ASN A 70 6.338 10.141 -3.629 1.00 23.20 C ATOM 1154 CG ASN A 70 7.295 11.071 -4.386 1.00 33.12 C ATOM 1155 OD1 ASN A 70 8.208 10.624 -5.075 1.00 13.02 O ATOM 1156 ND2 ASN A 70 7.087 12.371 -4.279 1.00 14.52 N ATOM 0 H ASN A 70 4.595 8.739 -2.655 1.00 61.34 H new ATOM 0 HA ASN A 70 4.517 10.729 -4.678 1.00 55.12 H new ATOM 0 HB2 ASN A 70 6.071 10.604 -2.679 1.00 23.20 H new ATOM 0 HB3 ASN A 70 6.857 9.211 -3.396 1.00 23.20 H new ATOM 0 HD21 ASN A 70 7.691 13.027 -4.775 1.00 14.52 H new ATOM 0 HD22 ASN A 70 6.322 12.719 -3.701 1.00 14.52 H new ATOM 1163 N LEU A 71 5.634 7.771 -5.582 1.00 71.54 N ATOM 1164 CA LEU A 71 6.117 6.887 -6.654 1.00 73.12 C ATOM 1165 C LEU A 71 5.073 6.758 -7.793 1.00 44.44 C ATOM 1166 O LEU A 71 5.358 7.068 -8.959 1.00 74.30 O ATOM 1167 CB LEU A 71 6.445 5.508 -6.004 1.00 14.01 C ATOM 1168 CG LEU A 71 7.347 4.515 -6.791 1.00 20.13 C ATOM 1169 CD1 LEU A 71 7.909 3.429 -5.848 1.00 11.33 C ATOM 1170 CD2 LEU A 71 6.598 3.852 -7.963 1.00 12.32 C ATOM 0 H LEU A 71 5.500 7.285 -4.695 1.00 71.54 H new ATOM 0 HA LEU A 71 7.012 7.301 -7.119 1.00 73.12 H new ATOM 0 HB2 LEU A 71 6.922 5.699 -5.043 1.00 14.01 H new ATOM 0 HB3 LEU A 71 5.500 5.006 -5.797 1.00 14.01 H new ATOM 0 HG LEU A 71 8.170 5.095 -7.208 1.00 20.13 H new ATOM 0 HD11 LEU A 71 8.538 2.743 -6.416 1.00 11.33 H new ATOM 0 HD12 LEU A 71 8.502 3.900 -5.064 1.00 11.33 H new ATOM 0 HD13 LEU A 71 7.085 2.876 -5.397 1.00 11.33 H new ATOM 0 HD21 LEU A 71 7.268 3.167 -8.482 1.00 12.32 H new ATOM 0 HD22 LEU A 71 5.740 3.299 -7.580 1.00 12.32 H new ATOM 0 HD23 LEU A 71 6.255 4.620 -8.656 1.00 12.32 H new ATOM 1182 N VAL A 72 3.864 6.305 -7.422 1.00 13.41 N ATOM 1183 CA VAL A 72 2.752 6.068 -8.368 1.00 75.35 C ATOM 1184 C VAL A 72 2.276 7.396 -9.015 1.00 61.53 C ATOM 1185 O VAL A 72 1.860 7.414 -10.176 1.00 21.43 O ATOM 1186 CB VAL A 72 1.550 5.343 -7.653 1.00 33.12 C ATOM 1187 CG1 VAL A 72 0.414 5.022 -8.649 1.00 10.02 C ATOM 1188 CG2 VAL A 72 2.017 4.051 -6.933 1.00 14.43 C ATOM 0 H VAL A 72 3.626 6.091 -6.454 1.00 13.41 H new ATOM 0 HA VAL A 72 3.124 5.418 -9.160 1.00 75.35 H new ATOM 0 HB VAL A 72 1.161 6.030 -6.902 1.00 33.12 H new ATOM 0 HG11 VAL A 72 -0.400 4.522 -8.124 1.00 10.02 H new ATOM 0 HG12 VAL A 72 0.046 5.948 -9.092 1.00 10.02 H new ATOM 0 HG13 VAL A 72 0.793 4.369 -9.435 1.00 10.02 H new ATOM 0 HG21 VAL A 72 1.164 3.575 -6.450 1.00 14.43 H new ATOM 0 HG22 VAL A 72 2.451 3.365 -7.661 1.00 14.43 H new ATOM 0 HG23 VAL A 72 2.765 4.303 -6.181 1.00 14.43 H new ATOM 1198 N ASP A 73 2.373 8.499 -8.240 1.00 33.12 N ATOM 1199 CA ASP A 73 2.089 9.877 -8.716 1.00 35.33 C ATOM 1200 C ASP A 73 2.972 10.254 -9.937 1.00 62.30 C ATOM 1201 O ASP A 73 2.491 10.822 -10.919 1.00 4.41 O ATOM 1202 CB ASP A 73 2.334 10.874 -7.554 1.00 51.12 C ATOM 1203 CG ASP A 73 1.965 12.329 -7.893 1.00 52.23 C ATOM 1204 OD1 ASP A 73 0.779 12.701 -7.733 1.00 2.50 O ATOM 1205 OD2 ASP A 73 2.853 13.112 -8.312 1.00 32.24 O ATOM 0 H ASP A 73 2.652 8.461 -7.260 1.00 33.12 H new ATOM 0 HA ASP A 73 1.049 9.925 -9.038 1.00 35.33 H new ATOM 0 HB2 ASP A 73 1.756 10.555 -6.687 1.00 51.12 H new ATOM 0 HB3 ASP A 73 3.385 10.833 -7.269 1.00 51.12 H new ATOM 1210 N LYS A 74 4.265 9.921 -9.841 1.00 51.01 N ATOM 1211 CA LYS A 74 5.278 10.257 -10.862 1.00 1.21 C ATOM 1212 C LYS A 74 5.198 9.339 -12.112 1.00 13.01 C ATOM 1213 O LYS A 74 5.299 9.815 -13.248 1.00 5.03 O ATOM 1214 CB LYS A 74 6.667 10.236 -10.200 1.00 11.32 C ATOM 1215 CG LYS A 74 6.825 11.338 -9.130 1.00 24.54 C ATOM 1216 CD LYS A 74 8.223 11.390 -8.498 1.00 44.13 C ATOM 1217 CE LYS A 74 9.295 11.902 -9.475 1.00 42.45 C ATOM 1218 NZ LYS A 74 9.000 13.282 -9.947 1.00 2.34 N ATOM 0 H LYS A 74 4.646 9.406 -9.047 1.00 51.01 H new ATOM 0 HA LYS A 74 5.079 11.259 -11.243 1.00 1.21 H new ATOM 0 HB2 LYS A 74 6.833 9.261 -9.741 1.00 11.32 H new ATOM 0 HB3 LYS A 74 7.433 10.363 -10.965 1.00 11.32 H new ATOM 0 HG2 LYS A 74 6.604 12.305 -9.582 1.00 24.54 H new ATOM 0 HG3 LYS A 74 6.087 11.177 -8.344 1.00 24.54 H new ATOM 0 HD2 LYS A 74 8.197 12.037 -7.621 1.00 44.13 H new ATOM 0 HD3 LYS A 74 8.498 10.394 -8.152 1.00 44.13 H new ATOM 0 HE2 LYS A 74 10.269 11.886 -8.986 1.00 42.45 H new ATOM 0 HE3 LYS A 74 9.356 11.230 -10.331 1.00 42.45 H new ATOM 0 HZ1 LYS A 74 9.891 13.804 -10.073 1.00 2.34 H new ATOM 0 HZ2 LYS A 74 8.493 13.238 -10.854 1.00 2.34 H new ATOM 0 HZ3 LYS A 74 8.409 13.770 -9.244 1.00 2.34 H new ATOM 1232 N MET A 75 5.001 8.025 -11.891 1.00 21.52 N ATOM 1233 CA MET A 75 4.861 7.031 -12.993 1.00 22.44 C ATOM 1234 C MET A 75 3.542 7.217 -13.780 1.00 32.54 C ATOM 1235 O MET A 75 3.474 6.873 -14.968 1.00 22.15 O ATOM 1236 CB MET A 75 4.987 5.584 -12.472 1.00 31.22 C ATOM 1237 CG MET A 75 6.308 5.292 -11.743 1.00 30.51 C ATOM 1238 SD MET A 75 6.715 3.535 -11.691 1.00 35.42 S ATOM 1239 CE MET A 75 5.210 2.810 -11.044 1.00 22.13 C ATOM 0 H MET A 75 4.934 7.618 -10.958 1.00 21.52 H new ATOM 0 HA MET A 75 5.684 7.214 -13.684 1.00 22.44 H new ATOM 0 HB2 MET A 75 4.158 5.380 -11.795 1.00 31.22 H new ATOM 0 HB3 MET A 75 4.889 4.897 -13.312 1.00 31.22 H new ATOM 0 HG2 MET A 75 7.116 5.831 -12.238 1.00 30.51 H new ATOM 0 HG3 MET A 75 6.246 5.675 -10.724 1.00 30.51 H new ATOM 0 HE1 MET A 75 5.452 1.901 -10.494 1.00 22.13 H new ATOM 0 HE2 MET A 75 4.722 3.520 -10.376 1.00 22.13 H new ATOM 0 HE3 MET A 75 4.539 2.568 -11.868 1.00 22.13 H new ATOM 1249 N LEU A 76 2.502 7.726 -13.076 1.00 62.13 N ATOM 1250 CA LEU A 76 1.201 8.141 -13.676 1.00 63.03 C ATOM 1251 C LEU A 76 1.441 9.058 -14.899 1.00 51.43 C ATOM 1252 O LEU A 76 0.853 8.889 -15.974 1.00 34.24 O ATOM 1253 CB LEU A 76 0.364 8.923 -12.601 1.00 61.23 C ATOM 1254 CG LEU A 76 -1.201 8.858 -12.696 1.00 74.12 C ATOM 1255 CD1 LEU A 76 -1.750 9.518 -13.975 1.00 3.32 C ATOM 1256 CD2 LEU A 76 -1.702 7.401 -12.545 1.00 13.23 C ATOM 0 H LEU A 76 2.538 7.863 -12.066 1.00 62.13 H new ATOM 0 HA LEU A 76 0.660 7.252 -14.000 1.00 63.03 H new ATOM 0 HB2 LEU A 76 0.655 8.553 -11.618 1.00 61.23 H new ATOM 0 HB3 LEU A 76 0.658 9.972 -12.647 1.00 61.23 H new ATOM 0 HG LEU A 76 -1.594 9.442 -11.863 1.00 74.12 H new ATOM 0 HD11 LEU A 76 -2.837 9.442 -13.986 1.00 3.32 H new ATOM 0 HD12 LEU A 76 -1.459 10.568 -13.996 1.00 3.32 H new ATOM 0 HD13 LEU A 76 -1.343 9.011 -14.850 1.00 3.32 H new ATOM 0 HD21 LEU A 76 -2.790 7.381 -12.614 1.00 13.23 H new ATOM 0 HD22 LEU A 76 -1.277 6.786 -13.338 1.00 13.23 H new ATOM 0 HD23 LEU A 76 -1.393 7.009 -11.576 1.00 13.23 H new ATOM 1268 N ASN A 77 2.331 10.019 -14.681 1.00 42.11 N ATOM 1269 CA ASN A 77 2.607 11.112 -15.604 1.00 54.13 C ATOM 1270 C ASN A 77 3.662 10.716 -16.663 1.00 13.43 C ATOM 1271 O ASN A 77 4.432 9.761 -16.471 1.00 60.23 O ATOM 1272 CB ASN A 77 3.101 12.316 -14.778 1.00 24.25 C ATOM 1273 CG ASN A 77 2.142 12.722 -13.660 1.00 74.33 C ATOM 1274 OD1 ASN A 77 0.925 12.640 -13.797 1.00 30.34 O ATOM 1275 ND2 ASN A 77 2.684 13.165 -12.542 1.00 62.24 N ATOM 0 H ASN A 77 2.896 10.060 -13.833 1.00 42.11 H new ATOM 0 HA ASN A 77 1.696 11.364 -16.147 1.00 54.13 H new ATOM 0 HB2 ASN A 77 4.071 12.075 -14.344 1.00 24.25 H new ATOM 0 HB3 ASN A 77 3.251 13.166 -15.444 1.00 24.25 H new ATOM 0 HD21 ASN A 77 2.088 13.450 -11.764 1.00 62.24 H new ATOM 0 HD22 ASN A 77 3.699 13.223 -12.455 1.00 62.24 H new ATOM 1282 N SER A 78 3.694 11.468 -17.779 1.00 44.54 N ATOM 1283 CA SER A 78 4.699 11.280 -18.851 1.00 64.51 C ATOM 1284 C SER A 78 6.054 11.918 -18.448 1.00 42.23 C ATOM 1285 O SER A 78 6.453 12.972 -18.961 1.00 73.34 O ATOM 1286 CB SER A 78 4.176 11.861 -20.191 1.00 62.31 C ATOM 1287 OG SER A 78 5.073 11.594 -21.263 1.00 52.12 O ATOM 0 H SER A 78 3.030 12.219 -17.966 1.00 44.54 H new ATOM 0 HA SER A 78 4.865 10.212 -18.991 1.00 64.51 H new ATOM 0 HB2 SER A 78 3.200 11.433 -20.418 1.00 62.31 H new ATOM 0 HB3 SER A 78 4.037 12.938 -20.092 1.00 62.31 H new ATOM 0 HG SER A 78 4.713 11.972 -22.092 1.00 52.12 H new ATOM 1293 N GLU A 79 6.722 11.279 -17.472 1.00 74.41 N ATOM 1294 CA GLU A 79 8.012 11.730 -16.914 1.00 31.22 C ATOM 1295 C GLU A 79 8.849 10.512 -16.450 1.00 42.31 C ATOM 1296 O GLU A 79 10.070 10.478 -16.631 1.00 44.01 O ATOM 1297 CB GLU A 79 7.775 12.736 -15.726 1.00 12.50 C ATOM 1298 CG GLU A 79 6.780 12.231 -14.655 1.00 50.12 C ATOM 1299 CD GLU A 79 6.671 13.117 -13.395 1.00 61.23 C ATOM 1300 OE1 GLU A 79 7.544 13.011 -12.505 1.00 5.41 O ATOM 1301 OE2 GLU A 79 5.713 13.912 -13.279 1.00 62.04 O ATOM 0 H GLU A 79 6.377 10.421 -17.041 1.00 74.41 H new ATOM 0 HA GLU A 79 8.569 12.251 -17.692 1.00 31.22 H new ATOM 0 HB2 GLU A 79 8.731 12.946 -15.247 1.00 12.50 H new ATOM 0 HB3 GLU A 79 7.407 13.679 -16.131 1.00 12.50 H new ATOM 0 HG2 GLU A 79 5.792 12.148 -15.109 1.00 50.12 H new ATOM 0 HG3 GLU A 79 7.076 11.227 -14.350 1.00 50.12 H new ATOM 1308 N ILE A 80 8.162 9.511 -15.855 1.00 62.23 N ATOM 1309 CA ILE A 80 8.807 8.315 -15.249 1.00 2.42 C ATOM 1310 C ILE A 80 8.248 7.016 -15.881 1.00 2.03 C ATOM 1311 O ILE A 80 7.026 6.832 -15.952 1.00 42.31 O ATOM 1312 CB ILE A 80 8.545 8.273 -13.695 1.00 4.43 C ATOM 1313 CG1 ILE A 80 8.789 9.669 -13.036 1.00 23.50 C ATOM 1314 CG2 ILE A 80 9.382 7.170 -12.999 1.00 23.23 C ATOM 1315 CD1 ILE A 80 10.235 10.097 -12.832 1.00 0.22 C ATOM 0 H ILE A 80 7.145 9.506 -15.779 1.00 62.23 H new ATOM 0 HA ILE A 80 9.878 8.383 -15.439 1.00 2.42 H new ATOM 0 HB ILE A 80 7.494 8.019 -13.555 1.00 4.43 H new ATOM 0 HG12 ILE A 80 8.297 10.423 -13.650 1.00 23.50 H new ATOM 0 HG13 ILE A 80 8.294 9.676 -12.065 1.00 23.50 H new ATOM 0 HG21 ILE A 80 9.172 7.175 -11.929 1.00 23.23 H new ATOM 0 HG22 ILE A 80 9.121 6.197 -13.416 1.00 23.23 H new ATOM 0 HG23 ILE A 80 10.443 7.361 -13.162 1.00 23.23 H new ATOM 0 HD11 ILE A 80 10.261 11.083 -12.367 1.00 0.22 H new ATOM 0 HD12 ILE A 80 10.740 9.378 -12.187 1.00 0.22 H new ATOM 0 HD13 ILE A 80 10.742 10.137 -13.796 1.00 0.22 H new ATOM 1327 N LYS A 81 9.145 6.121 -16.333 1.00 4.23 N ATOM 1328 CA LYS A 81 8.764 4.788 -16.865 1.00 32.34 C ATOM 1329 C LYS A 81 8.684 3.754 -15.720 1.00 72.51 C ATOM 1330 O LYS A 81 9.425 3.841 -14.739 1.00 72.12 O ATOM 1331 CB LYS A 81 9.764 4.325 -17.961 1.00 35.54 C ATOM 1332 CG LYS A 81 9.780 5.243 -19.206 1.00 22.24 C ATOM 1333 CD LYS A 81 10.729 4.750 -20.325 1.00 62.35 C ATOM 1334 CE LYS A 81 10.727 5.690 -21.549 1.00 43.42 C ATOM 1335 NZ LYS A 81 11.636 5.227 -22.632 1.00 25.12 N ATOM 0 H LYS A 81 10.150 6.294 -16.342 1.00 4.23 H new ATOM 0 HA LYS A 81 7.778 4.869 -17.323 1.00 32.34 H new ATOM 0 HB2 LYS A 81 10.766 4.286 -17.535 1.00 35.54 H new ATOM 0 HB3 LYS A 81 9.509 3.311 -18.270 1.00 35.54 H new ATOM 0 HG2 LYS A 81 8.769 5.318 -19.605 1.00 22.24 H new ATOM 0 HG3 LYS A 81 10.078 6.247 -18.904 1.00 22.24 H new ATOM 0 HD2 LYS A 81 11.742 4.672 -19.931 1.00 62.35 H new ATOM 0 HD3 LYS A 81 10.430 3.749 -20.637 1.00 62.35 H new ATOM 0 HE2 LYS A 81 9.713 5.767 -21.940 1.00 43.42 H new ATOM 0 HE3 LYS A 81 11.024 6.690 -21.234 1.00 43.42 H new ATOM 0 HZ1 LYS A 81 11.595 5.895 -23.428 1.00 25.12 H new ATOM 0 HZ2 LYS A 81 12.610 5.178 -22.271 1.00 25.12 H new ATOM 0 HZ3 LYS A 81 11.339 4.284 -22.955 1.00 25.12 H new ATOM 1349 N ILE A 82 7.789 2.766 -15.871 1.00 35.31 N ATOM 1350 CA ILE A 82 7.444 1.815 -14.798 1.00 73.25 C ATOM 1351 C ILE A 82 8.438 0.634 -14.810 1.00 13.42 C ATOM 1352 O ILE A 82 8.338 -0.276 -15.642 1.00 52.05 O ATOM 1353 CB ILE A 82 5.945 1.304 -14.925 1.00 4.12 C ATOM 1354 CG1 ILE A 82 4.908 2.485 -14.879 1.00 63.34 C ATOM 1355 CG2 ILE A 82 5.605 0.268 -13.831 1.00 4.50 C ATOM 1356 CD1 ILE A 82 4.828 3.350 -16.127 1.00 21.31 C ATOM 0 H ILE A 82 7.282 2.602 -16.741 1.00 35.31 H new ATOM 0 HA ILE A 82 7.521 2.333 -13.842 1.00 73.25 H new ATOM 0 HB ILE A 82 5.869 0.824 -15.901 1.00 4.12 H new ATOM 0 HG12 ILE A 82 3.920 2.067 -14.686 1.00 63.34 H new ATOM 0 HG13 ILE A 82 5.154 3.126 -14.032 1.00 63.34 H new ATOM 0 HG21 ILE A 82 4.572 -0.060 -13.948 1.00 4.50 H new ATOM 0 HG22 ILE A 82 6.271 -0.590 -13.923 1.00 4.50 H new ATOM 0 HG23 ILE A 82 5.732 0.722 -12.848 1.00 4.50 H new ATOM 0 HD11 ILE A 82 4.081 4.131 -15.981 1.00 21.31 H new ATOM 0 HD12 ILE A 82 5.799 3.807 -16.316 1.00 21.31 H new ATOM 0 HD13 ILE A 82 4.546 2.733 -16.980 1.00 21.31 H new ATOM 1368 N THR A 83 9.442 0.704 -13.916 1.00 60.05 N ATOM 1369 CA THR A 83 10.516 -0.308 -13.827 1.00 31.22 C ATOM 1370 C THR A 83 10.013 -1.612 -13.158 1.00 74.01 C ATOM 1371 O THR A 83 9.388 -1.557 -12.104 1.00 23.21 O ATOM 1372 CB THR A 83 11.755 0.260 -13.048 1.00 72.33 C ATOM 1373 OG1 THR A 83 12.307 1.389 -13.755 1.00 61.42 O ATOM 1374 CG2 THR A 83 12.867 -0.787 -12.824 1.00 41.52 C ATOM 0 H THR A 83 9.533 1.460 -13.237 1.00 60.05 H new ATOM 0 HA THR A 83 10.823 -0.548 -14.845 1.00 31.22 H new ATOM 0 HB THR A 83 11.389 0.560 -12.066 1.00 72.33 H new ATOM 0 HG1 THR A 83 13.078 1.739 -13.262 1.00 61.42 H new ATOM 0 HG21 THR A 83 13.693 -0.329 -12.280 1.00 41.52 H new ATOM 0 HG22 THR A 83 12.470 -1.621 -12.246 1.00 41.52 H new ATOM 0 HG23 THR A 83 13.224 -1.151 -13.788 1.00 41.52 H new ATOM 1382 N SER A 84 10.325 -2.774 -13.777 1.00 4.21 N ATOM 1383 CA SER A 84 9.855 -4.116 -13.317 1.00 15.43 C ATOM 1384 C SER A 84 10.327 -4.456 -11.875 1.00 73.45 C ATOM 1385 O SER A 84 9.539 -4.938 -11.053 1.00 11.44 O ATOM 1386 CB SER A 84 10.329 -5.212 -14.307 1.00 71.34 C ATOM 1387 OG SER A 84 9.851 -6.500 -13.942 1.00 31.51 O ATOM 0 H SER A 84 10.910 -2.815 -14.611 1.00 4.21 H new ATOM 0 HA SER A 84 8.766 -4.084 -13.295 1.00 15.43 H new ATOM 0 HB2 SER A 84 9.983 -4.968 -15.311 1.00 71.34 H new ATOM 0 HB3 SER A 84 11.418 -5.225 -14.339 1.00 71.34 H new ATOM 0 HG SER A 84 10.169 -7.163 -14.590 1.00 31.51 H new ATOM 1393 N ASP A 85 11.616 -4.183 -11.580 1.00 51.21 N ATOM 1394 CA ASP A 85 12.200 -4.385 -10.224 1.00 42.34 C ATOM 1395 C ASP A 85 11.536 -3.455 -9.183 1.00 4.25 C ATOM 1396 O ASP A 85 11.360 -3.823 -8.020 1.00 14.14 O ATOM 1397 CB ASP A 85 13.714 -4.100 -10.239 1.00 61.43 C ATOM 1398 CG ASP A 85 14.483 -4.950 -11.258 1.00 33.20 C ATOM 1399 OD1 ASP A 85 14.551 -4.553 -12.443 1.00 5.14 O ATOM 1400 OD2 ASP A 85 15.010 -6.023 -10.888 1.00 70.33 O ATOM 0 H ASP A 85 12.281 -3.820 -12.263 1.00 51.21 H new ATOM 0 HA ASP A 85 12.018 -5.423 -9.947 1.00 42.34 H new ATOM 0 HB2 ASP A 85 13.876 -3.045 -10.461 1.00 61.43 H new ATOM 0 HB3 ASP A 85 14.121 -4.282 -9.244 1.00 61.43 H new ATOM 1405 N LEU A 86 11.209 -2.234 -9.627 1.00 70.51 N ATOM 1406 CA LEU A 86 10.544 -1.215 -8.792 1.00 63.24 C ATOM 1407 C LEU A 86 9.113 -1.647 -8.385 1.00 5.33 C ATOM 1408 O LEU A 86 8.702 -1.428 -7.245 1.00 12.10 O ATOM 1409 CB LEU A 86 10.567 0.156 -9.525 1.00 35.11 C ATOM 1410 CG LEU A 86 9.518 1.225 -9.056 1.00 44.22 C ATOM 1411 CD1 LEU A 86 10.122 2.645 -9.032 1.00 4.22 C ATOM 1412 CD2 LEU A 86 8.255 1.187 -9.955 1.00 50.02 C ATOM 0 H LEU A 86 11.398 -1.920 -10.579 1.00 70.51 H new ATOM 0 HA LEU A 86 11.096 -1.109 -7.858 1.00 63.24 H new ATOM 0 HB2 LEU A 86 11.563 0.585 -9.413 1.00 35.11 H new ATOM 0 HB3 LEU A 86 10.416 -0.025 -10.589 1.00 35.11 H new ATOM 0 HG LEU A 86 9.228 0.972 -8.036 1.00 44.22 H new ATOM 0 HD11 LEU A 86 9.365 3.357 -8.702 1.00 4.22 H new ATOM 0 HD12 LEU A 86 10.967 2.669 -8.344 1.00 4.22 H new ATOM 0 HD13 LEU A 86 10.461 2.913 -10.033 1.00 4.22 H new ATOM 0 HD21 LEU A 86 7.541 1.936 -9.612 1.00 50.02 H new ATOM 0 HD22 LEU A 86 8.536 1.399 -10.986 1.00 50.02 H new ATOM 0 HD23 LEU A 86 7.798 0.199 -9.900 1.00 50.02 H new ATOM 1424 N ILE A 87 8.360 -2.234 -9.335 1.00 35.23 N ATOM 1425 CA ILE A 87 7.068 -2.919 -9.054 1.00 74.51 C ATOM 1426 C ILE A 87 7.230 -3.970 -7.909 1.00 62.30 C ATOM 1427 O ILE A 87 6.359 -4.095 -7.033 1.00 42.41 O ATOM 1428 CB ILE A 87 6.532 -3.641 -10.352 1.00 1.31 C ATOM 1429 CG1 ILE A 87 6.420 -2.650 -11.554 1.00 43.21 C ATOM 1430 CG2 ILE A 87 5.176 -4.340 -10.113 1.00 25.40 C ATOM 1431 CD1 ILE A 87 6.102 -3.301 -12.902 1.00 1.10 C ATOM 0 H ILE A 87 8.623 -2.251 -10.320 1.00 35.23 H new ATOM 0 HA ILE A 87 6.352 -2.160 -8.739 1.00 74.51 H new ATOM 0 HB ILE A 87 7.265 -4.408 -10.601 1.00 1.31 H new ATOM 0 HG12 ILE A 87 5.645 -1.917 -11.330 1.00 43.21 H new ATOM 0 HG13 ILE A 87 7.359 -2.104 -11.644 1.00 43.21 H new ATOM 0 HG21 ILE A 87 4.848 -4.822 -11.034 1.00 25.40 H new ATOM 0 HG22 ILE A 87 5.286 -5.090 -9.330 1.00 25.40 H new ATOM 0 HG23 ILE A 87 4.435 -3.602 -9.806 1.00 25.40 H new ATOM 0 HD11 ILE A 87 6.045 -2.532 -13.673 1.00 1.10 H new ATOM 0 HD12 ILE A 87 6.887 -4.013 -13.157 1.00 1.10 H new ATOM 0 HD13 ILE A 87 5.147 -3.822 -12.838 1.00 1.10 H new ATOM 1443 N ASP A 88 8.380 -4.695 -7.915 1.00 11.43 N ATOM 1444 CA ASP A 88 8.716 -5.673 -6.849 1.00 0.03 C ATOM 1445 C ASP A 88 9.088 -4.971 -5.524 1.00 15.41 C ATOM 1446 O ASP A 88 8.905 -5.540 -4.440 1.00 44.21 O ATOM 1447 CB ASP A 88 9.847 -6.628 -7.289 1.00 52.22 C ATOM 1448 CG ASP A 88 9.404 -7.602 -8.385 1.00 65.23 C ATOM 1449 OD1 ASP A 88 8.570 -8.494 -8.089 1.00 24.43 O ATOM 1450 OD2 ASP A 88 9.898 -7.506 -9.525 1.00 0.01 O ATOM 0 H ASP A 88 9.088 -4.620 -8.646 1.00 11.43 H new ATOM 0 HA ASP A 88 7.819 -6.267 -6.675 1.00 0.03 H new ATOM 0 HB2 ASP A 88 10.692 -6.042 -7.649 1.00 52.22 H new ATOM 0 HB3 ASP A 88 10.196 -7.194 -6.425 1.00 52.22 H new ATOM 1455 N LYS A 89 9.620 -3.739 -5.626 1.00 62.41 N ATOM 1456 CA LYS A 89 9.966 -2.927 -4.443 1.00 41.35 C ATOM 1457 C LYS A 89 8.675 -2.438 -3.731 1.00 43.25 C ATOM 1458 O LYS A 89 8.630 -2.360 -2.506 1.00 35.02 O ATOM 1459 CB LYS A 89 10.872 -1.721 -4.845 1.00 63.34 C ATOM 1460 CG LYS A 89 11.776 -1.188 -3.707 1.00 12.10 C ATOM 1461 CD LYS A 89 12.819 -2.241 -3.269 1.00 31.22 C ATOM 1462 CE LYS A 89 13.779 -1.741 -2.180 1.00 52.03 C ATOM 1463 NZ LYS A 89 14.746 -2.798 -1.771 1.00 24.31 N ATOM 0 H LYS A 89 9.820 -3.283 -6.516 1.00 62.41 H new ATOM 0 HA LYS A 89 10.528 -3.550 -3.747 1.00 41.35 H new ATOM 0 HB2 LYS A 89 11.502 -2.020 -5.682 1.00 63.34 H new ATOM 0 HB3 LYS A 89 10.237 -0.908 -5.198 1.00 63.34 H new ATOM 0 HG2 LYS A 89 12.288 -0.285 -4.040 1.00 12.10 H new ATOM 0 HG3 LYS A 89 11.160 -0.908 -2.853 1.00 12.10 H new ATOM 0 HD2 LYS A 89 12.298 -3.126 -2.904 1.00 31.22 H new ATOM 0 HD3 LYS A 89 13.399 -2.549 -4.139 1.00 31.22 H new ATOM 0 HE2 LYS A 89 14.324 -0.871 -2.547 1.00 52.03 H new ATOM 0 HE3 LYS A 89 13.206 -1.416 -1.311 1.00 52.03 H new ATOM 0 HZ1 LYS A 89 15.378 -2.424 -1.034 1.00 24.31 H new ATOM 0 HZ2 LYS A 89 14.227 -3.618 -1.398 1.00 24.31 H new ATOM 0 HZ3 LYS A 89 15.309 -3.091 -2.595 1.00 24.31 H new ATOM 1477 N VAL A 90 7.627 -2.124 -4.534 1.00 1.41 N ATOM 1478 CA VAL A 90 6.279 -1.747 -4.025 1.00 75.15 C ATOM 1479 C VAL A 90 5.654 -2.929 -3.238 1.00 65.13 C ATOM 1480 O VAL A 90 5.060 -2.743 -2.169 1.00 14.03 O ATOM 1481 CB VAL A 90 5.313 -1.322 -5.201 1.00 23.22 C ATOM 1482 CG1 VAL A 90 3.932 -0.859 -4.677 1.00 63.31 C ATOM 1483 CG2 VAL A 90 5.956 -0.233 -6.098 1.00 71.21 C ATOM 0 H VAL A 90 7.690 -2.124 -5.552 1.00 1.41 H new ATOM 0 HA VAL A 90 6.404 -0.891 -3.361 1.00 75.15 H new ATOM 0 HB VAL A 90 5.151 -2.210 -5.812 1.00 23.22 H new ATOM 0 HG11 VAL A 90 3.300 -0.576 -5.519 1.00 63.31 H new ATOM 0 HG12 VAL A 90 3.460 -1.673 -4.126 1.00 63.31 H new ATOM 0 HG13 VAL A 90 4.062 -0.002 -4.017 1.00 63.31 H new ATOM 0 HG21 VAL A 90 5.264 0.036 -6.896 1.00 71.21 H new ATOM 0 HG22 VAL A 90 6.177 0.649 -5.497 1.00 71.21 H new ATOM 0 HG23 VAL A 90 6.879 -0.617 -6.532 1.00 71.21 H new ATOM 1493 N LYS A 91 5.828 -4.144 -3.796 1.00 21.20 N ATOM 1494 CA LYS A 91 5.437 -5.414 -3.139 1.00 12.24 C ATOM 1495 C LYS A 91 6.133 -5.584 -1.771 1.00 21.44 C ATOM 1496 O LYS A 91 5.478 -5.900 -0.781 1.00 44.43 O ATOM 1497 CB LYS A 91 5.781 -6.623 -4.058 1.00 51.24 C ATOM 1498 CG LYS A 91 4.939 -6.697 -5.342 1.00 63.01 C ATOM 1499 CD LYS A 91 5.514 -7.650 -6.420 1.00 20.24 C ATOM 1500 CE LYS A 91 5.629 -9.113 -5.967 1.00 11.43 C ATOM 1501 NZ LYS A 91 6.159 -9.973 -7.054 1.00 24.11 N ATOM 0 H LYS A 91 6.245 -4.276 -4.718 1.00 21.20 H new ATOM 0 HA LYS A 91 4.361 -5.380 -2.969 1.00 12.24 H new ATOM 0 HB2 LYS A 91 6.835 -6.570 -4.330 1.00 51.24 H new ATOM 0 HB3 LYS A 91 5.644 -7.545 -3.493 1.00 51.24 H new ATOM 0 HG2 LYS A 91 3.931 -7.022 -5.085 1.00 63.01 H new ATOM 0 HG3 LYS A 91 4.853 -5.696 -5.765 1.00 63.01 H new ATOM 0 HD2 LYS A 91 4.880 -7.604 -7.306 1.00 20.24 H new ATOM 0 HD3 LYS A 91 6.501 -7.294 -6.715 1.00 20.24 H new ATOM 0 HE2 LYS A 91 6.284 -9.177 -5.098 1.00 11.43 H new ATOM 0 HE3 LYS A 91 4.650 -9.478 -5.656 1.00 11.43 H new ATOM 0 HZ1 LYS A 91 6.099 -10.971 -6.768 1.00 24.11 H new ATOM 0 HZ2 LYS A 91 5.598 -9.826 -7.918 1.00 24.11 H new ATOM 0 HZ3 LYS A 91 7.152 -9.725 -7.240 1.00 24.11 H new ATOM 1515 N LYS A 92 7.463 -5.352 -1.734 1.00 72.33 N ATOM 1516 CA LYS A 92 8.283 -5.553 -0.520 1.00 44.13 C ATOM 1517 C LYS A 92 7.979 -4.506 0.588 1.00 42.33 C ATOM 1518 O LYS A 92 8.009 -4.823 1.784 1.00 10.42 O ATOM 1519 CB LYS A 92 9.785 -5.533 -0.881 1.00 60.01 C ATOM 1520 CG LYS A 92 10.716 -5.837 0.312 1.00 54.23 C ATOM 1521 CD LYS A 92 10.505 -7.263 0.882 1.00 60.12 C ATOM 1522 CE LYS A 92 11.346 -7.531 2.142 1.00 41.33 C ATOM 1523 NZ LYS A 92 11.116 -8.896 2.682 1.00 52.12 N ATOM 0 H LYS A 92 7.995 -5.022 -2.539 1.00 72.33 H new ATOM 0 HA LYS A 92 8.019 -6.530 -0.114 1.00 44.13 H new ATOM 0 HB2 LYS A 92 9.970 -6.263 -1.669 1.00 60.01 H new ATOM 0 HB3 LYS A 92 10.039 -4.554 -1.288 1.00 60.01 H new ATOM 0 HG2 LYS A 92 11.753 -5.725 -0.003 1.00 54.23 H new ATOM 0 HG3 LYS A 92 10.542 -5.105 1.100 1.00 54.23 H new ATOM 0 HD2 LYS A 92 9.450 -7.403 1.118 1.00 60.12 H new ATOM 0 HD3 LYS A 92 10.760 -7.997 0.117 1.00 60.12 H new ATOM 0 HE2 LYS A 92 12.403 -7.407 1.906 1.00 41.33 H new ATOM 0 HE3 LYS A 92 11.101 -6.793 2.906 1.00 41.33 H new ATOM 0 HZ1 LYS A 92 11.701 -9.037 3.530 1.00 52.12 H new ATOM 0 HZ2 LYS A 92 10.112 -9.006 2.931 1.00 52.12 H new ATOM 0 HZ3 LYS A 92 11.374 -9.602 1.963 1.00 52.12 H new ATOM 1537 N LYS A 93 7.704 -3.264 0.180 1.00 71.34 N ATOM 1538 CA LYS A 93 7.314 -2.184 1.116 1.00 23.11 C ATOM 1539 C LYS A 93 5.906 -2.432 1.713 1.00 23.55 C ATOM 1540 O LYS A 93 5.673 -2.190 2.899 1.00 62.35 O ATOM 1541 CB LYS A 93 7.393 -0.807 0.405 1.00 74.03 C ATOM 1542 CG LYS A 93 8.835 -0.366 0.054 1.00 64.53 C ATOM 1543 CD LYS A 93 8.873 0.945 -0.752 1.00 41.22 C ATOM 1544 CE LYS A 93 10.293 1.385 -1.130 1.00 74.12 C ATOM 1545 NZ LYS A 93 10.272 2.522 -2.088 1.00 20.23 N ATOM 0 H LYS A 93 7.742 -2.972 -0.796 1.00 71.34 H new ATOM 0 HA LYS A 93 8.017 -2.182 1.949 1.00 23.11 H new ATOM 0 HB2 LYS A 93 6.802 -0.847 -0.510 1.00 74.03 H new ATOM 0 HB3 LYS A 93 6.938 -0.051 1.045 1.00 74.03 H new ATOM 0 HG2 LYS A 93 9.406 -0.240 0.974 1.00 64.53 H new ATOM 0 HG3 LYS A 93 9.323 -1.155 -0.519 1.00 64.53 H new ATOM 0 HD2 LYS A 93 8.284 0.821 -1.661 1.00 41.22 H new ATOM 0 HD3 LYS A 93 8.398 1.735 -0.170 1.00 41.22 H new ATOM 0 HE2 LYS A 93 10.837 1.675 -0.231 1.00 74.12 H new ATOM 0 HE3 LYS A 93 10.830 0.545 -1.571 1.00 74.12 H new ATOM 0 HZ1 LYS A 93 11.247 2.796 -2.324 1.00 20.23 H new ATOM 0 HZ2 LYS A 93 9.774 2.236 -2.955 1.00 20.23 H new ATOM 0 HZ3 LYS A 93 9.780 3.330 -1.656 1.00 20.23 H new ATOM 1559 N LEU A 94 4.985 -2.944 0.886 1.00 11.33 N ATOM 1560 CA LEU A 94 3.633 -3.354 1.344 1.00 65.03 C ATOM 1561 C LEU A 94 3.701 -4.646 2.215 1.00 20.21 C ATOM 1562 O LEU A 94 2.868 -4.871 3.110 1.00 21.33 O ATOM 1563 CB LEU A 94 2.713 -3.584 0.125 1.00 13.32 C ATOM 1564 CG LEU A 94 1.201 -3.743 0.460 1.00 20.44 C ATOM 1565 CD1 LEU A 94 0.613 -2.422 1.008 1.00 61.41 C ATOM 1566 CD2 LEU A 94 0.411 -4.256 -0.755 1.00 23.33 C ATOM 0 H LEU A 94 5.145 -3.088 -0.111 1.00 11.33 H new ATOM 0 HA LEU A 94 3.224 -2.553 1.960 1.00 65.03 H new ATOM 0 HB2 LEU A 94 2.831 -2.747 -0.563 1.00 13.32 H new ATOM 0 HB3 LEU A 94 3.049 -4.478 -0.401 1.00 13.32 H new ATOM 0 HG LEU A 94 1.108 -4.494 1.245 1.00 20.44 H new ATOM 0 HD11 LEU A 94 -0.444 -2.560 1.234 1.00 61.41 H new ATOM 0 HD12 LEU A 94 1.144 -2.137 1.916 1.00 61.41 H new ATOM 0 HD13 LEU A 94 0.724 -1.636 0.261 1.00 61.41 H new ATOM 0 HD21 LEU A 94 -0.641 -4.356 -0.489 1.00 23.33 H new ATOM 0 HD22 LEU A 94 0.511 -3.549 -1.579 1.00 23.33 H new ATOM 0 HD23 LEU A 94 0.802 -5.227 -1.060 1.00 23.33 H new ATOM 1578 N ASP A 95 4.711 -5.479 1.921 1.00 33.33 N ATOM 1579 CA ASP A 95 5.028 -6.709 2.682 1.00 35.12 C ATOM 1580 C ASP A 95 5.448 -6.330 4.120 1.00 54.44 C ATOM 1581 O ASP A 95 5.009 -6.931 5.096 1.00 32.25 O ATOM 1582 CB ASP A 95 6.184 -7.470 1.958 1.00 43.23 C ATOM 1583 CG ASP A 95 6.154 -8.987 2.171 1.00 34.11 C ATOM 1584 OD1 ASP A 95 5.247 -9.651 1.624 1.00 71.33 O ATOM 1585 OD2 ASP A 95 7.027 -9.525 2.885 1.00 0.51 O ATOM 0 H ASP A 95 5.343 -5.319 1.137 1.00 33.33 H new ATOM 0 HA ASP A 95 4.152 -7.355 2.733 1.00 35.12 H new ATOM 0 HB2 ASP A 95 6.131 -7.261 0.889 1.00 43.23 H new ATOM 0 HB3 ASP A 95 7.139 -7.082 2.311 1.00 43.23 H new ATOM 1590 N MET A 96 6.293 -5.288 4.189 1.00 42.52 N ATOM 1591 CA MET A 96 6.784 -4.662 5.435 1.00 23.54 C ATOM 1592 C MET A 96 5.630 -4.120 6.326 1.00 41.22 C ATOM 1593 O MET A 96 5.705 -4.201 7.557 1.00 5.41 O ATOM 1594 CB MET A 96 7.771 -3.530 5.040 1.00 2.31 C ATOM 1595 CG MET A 96 8.291 -2.660 6.197 1.00 73.31 C ATOM 1596 SD MET A 96 9.245 -3.595 7.419 1.00 41.34 S ATOM 1597 CE MET A 96 10.642 -4.158 6.443 1.00 75.22 C ATOM 0 H MET A 96 6.668 -4.841 3.352 1.00 42.52 H new ATOM 0 HA MET A 96 7.289 -5.416 6.039 1.00 23.54 H new ATOM 0 HB2 MET A 96 8.626 -3.979 4.536 1.00 2.31 H new ATOM 0 HB3 MET A 96 7.279 -2.881 4.316 1.00 2.31 H new ATOM 0 HG2 MET A 96 8.914 -1.863 5.792 1.00 73.31 H new ATOM 0 HG3 MET A 96 7.446 -2.183 6.693 1.00 73.31 H new ATOM 0 HE1 MET A 96 11.431 -4.510 7.107 1.00 75.22 H new ATOM 0 HE2 MET A 96 10.326 -4.973 5.791 1.00 75.22 H new ATOM 0 HE3 MET A 96 11.018 -3.334 5.837 1.00 75.22 H new ATOM 1607 N VAL A 97 4.571 -3.576 5.691 1.00 40.31 N ATOM 1608 CA VAL A 97 3.337 -3.122 6.404 1.00 61.04 C ATOM 1609 C VAL A 97 2.681 -4.305 7.175 1.00 1.34 C ATOM 1610 O VAL A 97 2.218 -4.155 8.316 1.00 73.41 O ATOM 1611 CB VAL A 97 2.295 -2.491 5.396 1.00 24.15 C ATOM 1612 CG1 VAL A 97 1.014 -1.985 6.111 1.00 61.44 C ATOM 1613 CG2 VAL A 97 2.946 -1.360 4.565 1.00 13.23 C ATOM 0 H VAL A 97 4.537 -3.436 4.681 1.00 40.31 H new ATOM 0 HA VAL A 97 3.632 -2.354 7.119 1.00 61.04 H new ATOM 0 HB VAL A 97 1.987 -3.287 4.717 1.00 24.15 H new ATOM 0 HG11 VAL A 97 0.330 -1.561 5.376 1.00 61.44 H new ATOM 0 HG12 VAL A 97 0.528 -2.818 6.620 1.00 61.44 H new ATOM 0 HG13 VAL A 97 1.282 -1.221 6.840 1.00 61.44 H new ATOM 0 HG21 VAL A 97 2.209 -0.942 3.879 1.00 13.23 H new ATOM 0 HG22 VAL A 97 3.304 -0.577 5.234 1.00 13.23 H new ATOM 0 HG23 VAL A 97 3.784 -1.763 3.996 1.00 13.23 H new ATOM 1623 N THR A 98 2.684 -5.490 6.532 1.00 61.11 N ATOM 1624 CA THR A 98 2.203 -6.749 7.140 1.00 55.14 C ATOM 1625 C THR A 98 3.133 -7.210 8.297 1.00 14.33 C ATOM 1626 O THR A 98 2.653 -7.629 9.349 1.00 23.22 O ATOM 1627 CB THR A 98 2.083 -7.895 6.068 1.00 21.23 C ATOM 1628 OG1 THR A 98 1.211 -7.483 5.002 1.00 1.31 O ATOM 1629 CG2 THR A 98 1.554 -9.218 6.666 1.00 60.12 C ATOM 0 H THR A 98 3.020 -5.602 5.576 1.00 61.11 H new ATOM 0 HA THR A 98 1.212 -6.546 7.547 1.00 55.14 H new ATOM 0 HB THR A 98 3.089 -8.078 5.691 1.00 21.23 H new ATOM 0 HG1 THR A 98 1.143 -8.201 4.339 1.00 1.31 H new ATOM 0 HG21 THR A 98 1.492 -9.972 5.882 1.00 60.12 H new ATOM 0 HG22 THR A 98 2.233 -9.561 7.447 1.00 60.12 H new ATOM 0 HG23 THR A 98 0.564 -9.055 7.092 1.00 60.12 H new ATOM 1637 N ARG A 99 4.466 -7.097 8.105 1.00 52.34 N ATOM 1638 CA ARG A 99 5.470 -7.590 9.097 1.00 32.01 C ATOM 1639 C ARG A 99 5.482 -6.728 10.390 1.00 70.44 C ATOM 1640 O ARG A 99 5.759 -7.232 11.487 1.00 34.40 O ATOM 1641 CB ARG A 99 6.896 -7.642 8.470 1.00 2.32 C ATOM 1642 CG ARG A 99 6.976 -8.346 7.092 1.00 63.45 C ATOM 1643 CD ARG A 99 6.361 -9.764 7.074 1.00 72.54 C ATOM 1644 NE ARG A 99 6.125 -10.250 5.695 1.00 45.41 N ATOM 1645 CZ ARG A 99 5.123 -11.019 5.314 1.00 62.31 C ATOM 1646 NH1 ARG A 99 4.239 -11.440 6.156 1.00 62.42 N ATOM 1647 NH2 ARG A 99 4.998 -11.339 4.071 1.00 13.51 N ATOM 0 H ARG A 99 4.880 -6.671 7.276 1.00 52.34 H new ATOM 0 HA ARG A 99 5.172 -8.601 9.375 1.00 32.01 H new ATOM 0 HB2 ARG A 99 7.268 -6.623 8.363 1.00 2.32 H new ATOM 0 HB3 ARG A 99 7.564 -8.154 9.163 1.00 2.32 H new ATOM 0 HG2 ARG A 99 6.466 -7.731 6.351 1.00 63.45 H new ATOM 0 HG3 ARG A 99 8.021 -8.410 6.788 1.00 63.45 H new ATOM 0 HD2 ARG A 99 7.027 -10.454 7.592 1.00 72.54 H new ATOM 0 HD3 ARG A 99 5.419 -9.757 7.622 1.00 72.54 H new ATOM 0 HE ARG A 99 6.794 -9.966 4.979 1.00 45.41 H new ATOM 0 HH11 ARG A 99 4.307 -11.179 7.140 1.00 62.42 H new ATOM 0 HH12 ARG A 99 3.473 -12.034 5.837 1.00 62.42 H new ATOM 0 HH21 ARG A 99 5.673 -10.998 3.386 1.00 13.51 H new ATOM 0 HH22 ARG A 99 4.225 -11.933 3.773 1.00 13.51 H new ATOM 1661 N GLU A 100 5.185 -5.428 10.230 1.00 14.02 N ATOM 1662 CA GLU A 100 5.018 -4.476 11.352 1.00 30.42 C ATOM 1663 C GLU A 100 3.851 -4.897 12.276 1.00 74.12 C ATOM 1664 O GLU A 100 4.017 -5.052 13.493 1.00 75.25 O ATOM 1665 CB GLU A 100 4.757 -3.055 10.784 1.00 4.34 C ATOM 1666 CG GLU A 100 4.324 -1.995 11.827 1.00 61.10 C ATOM 1667 CD GLU A 100 5.390 -1.653 12.885 1.00 4.54 C ATOM 1668 OE1 GLU A 100 6.516 -1.260 12.510 1.00 75.34 O ATOM 1669 OE2 GLU A 100 5.099 -1.747 14.096 1.00 31.24 O ATOM 0 H GLU A 100 5.052 -5.000 9.314 1.00 14.02 H new ATOM 0 HA GLU A 100 5.932 -4.476 11.946 1.00 30.42 H new ATOM 0 HB2 GLU A 100 5.664 -2.706 10.291 1.00 4.34 H new ATOM 0 HB3 GLU A 100 3.985 -3.124 10.018 1.00 4.34 H new ATOM 0 HG2 GLU A 100 4.048 -1.081 11.301 1.00 61.10 H new ATOM 0 HG3 GLU A 100 3.429 -2.352 12.336 1.00 61.10 H new ATOM 1676 N LEU A 101 2.671 -5.085 11.665 1.00 45.32 N ATOM 1677 CA LEU A 101 1.436 -5.446 12.388 1.00 73.30 C ATOM 1678 C LEU A 101 1.506 -6.901 12.930 1.00 54.23 C ATOM 1679 O LEU A 101 0.858 -7.239 13.926 1.00 51.40 O ATOM 1680 CB LEU A 101 0.203 -5.223 11.471 1.00 23.44 C ATOM 1681 CG LEU A 101 -1.191 -5.263 12.177 1.00 50.10 C ATOM 1682 CD1 LEU A 101 -1.255 -4.273 13.368 1.00 75.00 C ATOM 1683 CD2 LEU A 101 -2.322 -4.984 11.166 1.00 5.52 C ATOM 0 H LEU A 101 2.543 -4.992 10.657 1.00 45.32 H new ATOM 0 HA LEU A 101 1.332 -4.796 13.257 1.00 73.30 H new ATOM 0 HB2 LEU A 101 0.311 -4.257 10.978 1.00 23.44 H new ATOM 0 HB3 LEU A 101 0.214 -5.982 10.689 1.00 23.44 H new ATOM 0 HG LEU A 101 -1.330 -6.266 12.579 1.00 50.10 H new ATOM 0 HD11 LEU A 101 -2.239 -4.328 13.835 1.00 75.00 H new ATOM 0 HD12 LEU A 101 -0.491 -4.535 14.100 1.00 75.00 H new ATOM 0 HD13 LEU A 101 -1.081 -3.259 13.008 1.00 75.00 H new ATOM 0 HD21 LEU A 101 -3.284 -5.016 11.678 1.00 5.52 H new ATOM 0 HD22 LEU A 101 -2.180 -3.998 10.724 1.00 5.52 H new ATOM 0 HD23 LEU A 101 -2.303 -5.740 10.381 1.00 5.52 H new ATOM 1695 N ASP A 102 2.303 -7.751 12.247 1.00 40.52 N ATOM 1696 CA ASP A 102 2.606 -9.131 12.694 1.00 35.20 C ATOM 1697 C ASP A 102 3.361 -9.116 14.044 1.00 21.44 C ATOM 1698 O ASP A 102 3.035 -9.873 14.951 1.00 10.45 O ATOM 1699 CB ASP A 102 3.440 -9.862 11.617 1.00 11.23 C ATOM 1700 CG ASP A 102 3.782 -11.314 11.994 1.00 71.40 C ATOM 1701 OD1 ASP A 102 2.948 -12.214 11.755 1.00 72.31 O ATOM 1702 OD2 ASP A 102 4.888 -11.567 12.520 1.00 52.00 O ATOM 0 H ASP A 102 2.756 -7.500 11.368 1.00 40.52 H new ATOM 0 HA ASP A 102 1.667 -9.665 12.837 1.00 35.20 H new ATOM 0 HB2 ASP A 102 2.889 -9.858 10.676 1.00 11.23 H new ATOM 0 HB3 ASP A 102 4.365 -9.311 11.447 1.00 11.23 H new ATOM 1707 N LYS A 103 4.375 -8.233 14.140 1.00 42.04 N ATOM 1708 CA LYS A 103 5.139 -7.982 15.390 1.00 31.31 C ATOM 1709 C LYS A 103 4.196 -7.553 16.551 1.00 62.24 C ATOM 1710 O LYS A 103 4.381 -7.963 17.703 1.00 43.40 O ATOM 1711 CB LYS A 103 6.187 -6.868 15.117 1.00 61.03 C ATOM 1712 CG LYS A 103 7.053 -6.433 16.333 1.00 50.31 C ATOM 1713 CD LYS A 103 7.801 -5.096 16.074 1.00 75.44 C ATOM 1714 CE LYS A 103 6.830 -3.927 15.812 1.00 51.25 C ATOM 1715 NZ LYS A 103 7.526 -2.650 15.513 1.00 32.11 N ATOM 0 H LYS A 103 4.693 -7.669 13.352 1.00 42.04 H new ATOM 0 HA LYS A 103 5.637 -8.903 15.693 1.00 31.31 H new ATOM 0 HB2 LYS A 103 6.854 -7.210 14.326 1.00 61.03 H new ATOM 0 HB3 LYS A 103 5.664 -5.991 14.736 1.00 61.03 H new ATOM 0 HG2 LYS A 103 6.416 -6.326 17.211 1.00 50.31 H new ATOM 0 HG3 LYS A 103 7.778 -7.215 16.559 1.00 50.31 H new ATOM 0 HD2 LYS A 103 8.428 -4.860 16.934 1.00 75.44 H new ATOM 0 HD3 LYS A 103 8.465 -5.213 15.218 1.00 75.44 H new ATOM 0 HE2 LYS A 103 6.179 -4.183 14.977 1.00 51.25 H new ATOM 0 HE3 LYS A 103 6.191 -3.790 16.684 1.00 51.25 H new ATOM 0 HZ1 LYS A 103 6.878 -2.011 15.010 1.00 32.11 H new ATOM 0 HZ2 LYS A 103 7.831 -2.205 16.402 1.00 32.11 H new ATOM 0 HZ3 LYS A 103 8.357 -2.839 14.917 1.00 32.11 H new ATOM 1729 N LYS A 104 3.187 -6.724 16.211 1.00 44.43 N ATOM 1730 CA LYS A 104 2.185 -6.209 17.173 1.00 22.40 C ATOM 1731 C LYS A 104 1.284 -7.332 17.742 1.00 12.51 C ATOM 1732 O LYS A 104 1.089 -7.424 18.960 1.00 73.33 O ATOM 1733 CB LYS A 104 1.311 -5.117 16.496 1.00 14.31 C ATOM 1734 CG LYS A 104 2.080 -3.838 16.092 1.00 45.01 C ATOM 1735 CD LYS A 104 2.691 -3.114 17.311 1.00 14.55 C ATOM 1736 CE LYS A 104 3.408 -1.809 16.939 1.00 53.40 C ATOM 1737 NZ LYS A 104 3.938 -1.122 18.138 1.00 20.11 N ATOM 0 H LYS A 104 3.042 -6.391 15.258 1.00 44.43 H new ATOM 0 HA LYS A 104 2.732 -5.777 18.011 1.00 22.40 H new ATOM 0 HB2 LYS A 104 0.846 -5.542 15.607 1.00 14.31 H new ATOM 0 HB3 LYS A 104 0.505 -4.841 17.176 1.00 14.31 H new ATOM 0 HG2 LYS A 104 2.873 -4.099 15.392 1.00 45.01 H new ATOM 0 HG3 LYS A 104 1.405 -3.160 15.570 1.00 45.01 H new ATOM 0 HD2 LYS A 104 1.901 -2.895 18.030 1.00 14.55 H new ATOM 0 HD3 LYS A 104 3.397 -3.781 17.806 1.00 14.55 H new ATOM 0 HE2 LYS A 104 4.225 -2.025 16.251 1.00 53.40 H new ATOM 0 HE3 LYS A 104 2.716 -1.149 16.416 1.00 53.40 H new ATOM 0 HZ1 LYS A 104 4.416 -0.244 17.852 1.00 20.11 H new ATOM 0 HZ2 LYS A 104 3.154 -0.895 18.783 1.00 20.11 H new ATOM 0 HZ3 LYS A 104 4.616 -1.744 18.623 1.00 20.11 H new ATOM 1751 N VAL A 105 0.732 -8.173 16.845 1.00 3.04 N ATOM 1752 CA VAL A 105 -0.184 -9.279 17.233 1.00 53.34 C ATOM 1753 C VAL A 105 0.593 -10.496 17.827 1.00 13.41 C ATOM 1754 O VAL A 105 0.023 -11.312 18.559 1.00 35.42 O ATOM 1755 CB VAL A 105 -1.092 -9.711 16.009 1.00 14.33 C ATOM 1756 CG1 VAL A 105 -0.269 -10.348 14.863 1.00 23.33 C ATOM 1757 CG2 VAL A 105 -2.257 -10.635 16.451 1.00 33.42 C ATOM 0 H VAL A 105 0.902 -8.112 15.841 1.00 3.04 H new ATOM 0 HA VAL A 105 -0.837 -8.906 18.022 1.00 53.34 H new ATOM 0 HB VAL A 105 -1.533 -8.796 15.614 1.00 14.33 H new ATOM 0 HG11 VAL A 105 -0.936 -10.627 14.048 1.00 23.33 H new ATOM 0 HG12 VAL A 105 0.466 -9.630 14.500 1.00 23.33 H new ATOM 0 HG13 VAL A 105 0.243 -11.236 15.233 1.00 23.33 H new ATOM 0 HG21 VAL A 105 -2.855 -10.908 15.581 1.00 33.42 H new ATOM 0 HG22 VAL A 105 -1.852 -11.537 16.910 1.00 33.42 H new ATOM 0 HG23 VAL A 105 -2.884 -10.111 17.172 1.00 33.42 H new ATOM 1767 N SER A 106 1.900 -10.591 17.520 1.00 1.12 N ATOM 1768 CA SER A 106 2.791 -11.643 18.077 1.00 12.44 C ATOM 1769 C SER A 106 3.293 -11.247 19.480 1.00 5.02 C ATOM 1770 O SER A 106 3.660 -10.083 19.708 1.00 24.03 O ATOM 1771 CB SER A 106 4.013 -11.881 17.149 1.00 54.14 C ATOM 1772 OG SER A 106 4.865 -12.907 17.646 1.00 3.50 O ATOM 0 H SER A 106 2.372 -9.949 16.884 1.00 1.12 H new ATOM 0 HA SER A 106 2.209 -12.562 18.148 1.00 12.44 H new ATOM 0 HB2 SER A 106 3.665 -12.150 16.152 1.00 54.14 H new ATOM 0 HB3 SER A 106 4.579 -10.955 17.050 1.00 54.14 H new ATOM 0 HG SER A 106 5.621 -13.029 17.035 1.00 3.50 H new ATOM 1778 N GLY A 107 3.302 -12.221 20.407 1.00 51.30 N ATOM 1779 CA GLY A 107 3.885 -12.032 21.744 1.00 12.33 C ATOM 1780 C GLY A 107 5.412 -11.893 21.688 1.00 20.04 C ATOM 1781 O GLY A 107 6.136 -12.872 21.878 1.00 52.54 O ATOM 0 H GLY A 107 2.910 -13.150 20.252 1.00 51.30 H new ATOM 0 HA2 GLY A 107 3.456 -11.142 22.205 1.00 12.33 H new ATOM 0 HA3 GLY A 107 3.621 -12.878 22.378 1.00 12.33 H new ATOM 1785 N SER A 108 5.891 -10.669 21.399 1.00 11.11 N ATOM 1786 CA SER A 108 7.324 -10.389 21.152 1.00 73.22 C ATOM 1787 C SER A 108 7.982 -9.743 22.395 1.00 5.02 C ATOM 1788 O SER A 108 7.672 -8.594 22.740 1.00 5.22 O ATOM 1789 CB SER A 108 7.468 -9.446 19.924 1.00 71.42 C ATOM 1790 OG SER A 108 6.789 -9.958 18.781 1.00 53.43 O ATOM 0 H SER A 108 5.297 -9.843 21.329 1.00 11.11 H new ATOM 0 HA SER A 108 7.832 -11.332 20.948 1.00 73.22 H new ATOM 0 HB2 SER A 108 7.070 -8.462 20.173 1.00 71.42 H new ATOM 0 HB3 SER A 108 8.524 -9.313 19.690 1.00 71.42 H new ATOM 0 HG SER A 108 5.824 -9.971 18.952 1.00 53.43 H new ATOM 1796 N TYR A 109 8.865 -10.492 23.086 1.00 74.02 N ATOM 1797 CA TYR A 109 9.680 -9.954 24.203 1.00 11.43 C ATOM 1798 C TYR A 109 11.034 -9.424 23.669 1.00 34.04 C ATOM 1799 O TYR A 109 11.260 -8.207 23.658 1.00 22.34 O ATOM 1800 CB TYR A 109 9.897 -11.031 25.314 1.00 54.53 C ATOM 1801 CG TYR A 109 10.808 -10.570 26.471 1.00 63.25 C ATOM 1802 CD1 TYR A 109 10.374 -9.616 27.397 1.00 30.33 C ATOM 1803 CD2 TYR A 109 12.109 -11.078 26.630 1.00 12.45 C ATOM 1804 CE1 TYR A 109 11.195 -9.184 28.425 1.00 52.31 C ATOM 1805 CE2 TYR A 109 12.928 -10.646 27.659 1.00 42.42 C ATOM 1806 CZ TYR A 109 12.467 -9.704 28.554 1.00 64.33 C ATOM 1807 OH TYR A 109 13.286 -9.275 29.581 1.00 45.21 O ATOM 0 H TYR A 109 9.035 -11.479 22.891 1.00 74.02 H new ATOM 0 HA TYR A 109 9.138 -9.124 24.655 1.00 11.43 H new ATOM 0 HB2 TYR A 109 8.927 -11.317 25.722 1.00 54.53 H new ATOM 0 HB3 TYR A 109 10.328 -11.923 24.860 1.00 54.53 H new ATOM 0 HD1 TYR A 109 9.378 -9.208 27.308 1.00 30.33 H new ATOM 0 HD2 TYR A 109 12.477 -11.819 25.936 1.00 12.45 H new ATOM 0 HE1 TYR A 109 10.841 -8.441 29.125 1.00 52.31 H new ATOM 0 HE2 TYR A 109 13.926 -11.046 27.761 1.00 42.42 H new ATOM 0 HH TYR A 109 14.147 -9.741 29.529 1.00 45.21 H new ATOM 1817 N LEU A 110 11.903 -10.364 23.210 1.00 51.12 N ATOM 1818 CA LEU A 110 13.285 -10.083 22.732 1.00 64.00 C ATOM 1819 C LEU A 110 14.189 -9.517 23.871 1.00 23.22 C ATOM 1820 O LEU A 110 13.962 -8.404 24.365 1.00 42.25 O ATOM 1821 CB LEU A 110 13.301 -9.146 21.472 1.00 34.15 C ATOM 1822 CG LEU A 110 12.929 -9.804 20.096 1.00 44.02 C ATOM 1823 CD1 LEU A 110 11.497 -10.394 20.071 1.00 14.41 C ATOM 1824 CD2 LEU A 110 13.136 -8.801 18.936 1.00 33.53 C ATOM 0 H LEU A 110 11.660 -11.353 23.161 1.00 51.12 H new ATOM 0 HA LEU A 110 13.705 -11.040 22.423 1.00 64.00 H new ATOM 0 HB2 LEU A 110 12.610 -8.322 21.652 1.00 34.15 H new ATOM 0 HB3 LEU A 110 14.297 -8.713 21.383 1.00 34.15 H new ATOM 0 HG LEU A 110 13.608 -10.646 19.960 1.00 44.02 H new ATOM 0 HD11 LEU A 110 11.302 -10.834 19.093 1.00 14.41 H new ATOM 0 HD12 LEU A 110 11.407 -11.162 20.839 1.00 14.41 H new ATOM 0 HD13 LEU A 110 10.774 -9.602 20.264 1.00 14.41 H new ATOM 0 HD21 LEU A 110 12.872 -9.277 17.992 1.00 33.53 H new ATOM 0 HD22 LEU A 110 12.501 -7.929 19.092 1.00 33.53 H new ATOM 0 HD23 LEU A 110 14.180 -8.490 18.906 1.00 33.53 H new ATOM 1836 N VAL A 111 15.208 -10.307 24.279 1.00 14.31 N ATOM 1837 CA VAL A 111 16.179 -9.920 25.339 1.00 32.32 C ATOM 1838 C VAL A 111 16.967 -8.612 24.982 1.00 5.32 C ATOM 1839 O VAL A 111 17.217 -8.348 23.799 1.00 1.21 O ATOM 1840 CB VAL A 111 17.185 -11.104 25.636 1.00 74.25 C ATOM 1841 CG1 VAL A 111 16.443 -12.330 26.228 1.00 62.14 C ATOM 1842 CG2 VAL A 111 17.990 -11.496 24.366 1.00 31.01 C ATOM 0 H VAL A 111 15.384 -11.231 23.885 1.00 14.31 H new ATOM 0 HA VAL A 111 15.598 -9.712 26.237 1.00 32.32 H new ATOM 0 HB VAL A 111 17.898 -10.752 26.381 1.00 74.25 H new ATOM 0 HG11 VAL A 111 17.158 -13.129 26.423 1.00 62.14 H new ATOM 0 HG12 VAL A 111 15.955 -12.045 27.160 1.00 62.14 H new ATOM 0 HG13 VAL A 111 15.693 -12.679 25.518 1.00 62.14 H new ATOM 0 HG21 VAL A 111 18.672 -12.312 24.605 1.00 31.01 H new ATOM 0 HG22 VAL A 111 17.302 -11.815 23.583 1.00 31.01 H new ATOM 0 HG23 VAL A 111 18.562 -10.636 24.018 1.00 31.01 H new ATOM 1852 N PRO A 112 17.354 -7.762 26.001 1.00 43.33 N ATOM 1853 CA PRO A 112 18.060 -6.466 25.748 1.00 22.23 C ATOM 1854 C PRO A 112 19.494 -6.633 25.167 1.00 21.23 C ATOM 1855 O PRO A 112 19.975 -5.759 24.438 1.00 73.54 O ATOM 1856 CB PRO A 112 18.084 -5.797 27.152 1.00 51.11 C ATOM 1857 CG PRO A 112 18.004 -6.939 28.121 1.00 11.13 C ATOM 1858 CD PRO A 112 17.119 -7.975 27.461 1.00 43.32 C ATOM 0 HA PRO A 112 17.552 -5.874 24.986 1.00 22.23 H new ATOM 0 HB2 PRO A 112 18.995 -5.217 27.298 1.00 51.11 H new ATOM 0 HB3 PRO A 112 17.246 -5.112 27.278 1.00 51.11 H new ATOM 0 HG2 PRO A 112 18.994 -7.345 28.330 1.00 11.13 H new ATOM 0 HG3 PRO A 112 17.585 -6.616 29.074 1.00 11.13 H new ATOM 0 HD2 PRO A 112 17.389 -8.986 27.767 1.00 43.32 H new ATOM 0 HD3 PRO A 112 16.071 -7.832 27.723 1.00 43.32 H new ATOM 1866 N ARG A 113 20.167 -7.752 25.509 1.00 41.50 N ATOM 1867 CA ARG A 113 21.505 -8.104 24.956 1.00 53.21 C ATOM 1868 C ARG A 113 21.466 -9.558 24.386 1.00 34.21 C ATOM 1869 O ARG A 113 21.499 -9.720 23.148 1.00 37.53 O ATOM 1870 CB ARG A 113 22.623 -7.930 26.045 1.00 75.15 C ATOM 1871 CG ARG A 113 24.056 -7.651 25.493 1.00 55.20 C ATOM 1872 CD ARG A 113 24.693 -8.829 24.721 1.00 5.21 C ATOM 1873 NE ARG A 113 25.975 -8.452 24.095 1.00 60.12 N ATOM 1874 CZ ARG A 113 26.681 -9.193 23.267 1.00 63.21 C ATOM 1875 NH1 ARG A 113 26.307 -10.393 22.922 1.00 1.12 N ATOM 1876 NH2 ARG A 113 27.792 -8.733 22.795 1.00 71.44 N ATOM 1877 OXT ARG A 113 21.379 -10.520 25.184 1.00 37.53 O ATOM 0 H ARG A 113 19.806 -8.438 26.172 1.00 41.50 H new ATOM 0 HA ARG A 113 21.751 -7.424 24.141 1.00 53.21 H new ATOM 0 HB2 ARG A 113 22.340 -7.110 26.705 1.00 75.15 H new ATOM 0 HB3 ARG A 113 22.656 -8.833 26.655 1.00 75.15 H new ATOM 0 HG2 ARG A 113 24.014 -6.783 24.834 1.00 55.20 H new ATOM 0 HG3 ARG A 113 24.706 -7.387 26.327 1.00 55.20 H new ATOM 0 HD2 ARG A 113 24.854 -9.664 25.403 1.00 5.21 H new ATOM 0 HD3 ARG A 113 24.002 -9.174 23.952 1.00 5.21 H new ATOM 0 HE ARG A 113 26.349 -7.531 24.325 1.00 60.12 H new ATOM 0 HH11 ARG A 113 25.443 -10.785 23.296 1.00 1.12 H new ATOM 0 HH12 ARG A 113 26.878 -10.940 22.278 1.00 1.12 H new ATOM 0 HH21 ARG A 113 28.115 -7.804 23.065 1.00 71.44 H new ATOM 0 HH22 ARG A 113 28.347 -9.299 22.153 1.00 71.44 H new TER 1891 ARG A 113