USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 798 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 18 ASN : amide:sc= 0 X(o=-1.4,f=-1.8) USER MOD Set 1.2: A 21 THR OG1 : rot -160:sc= -1.43! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.481 K(o=-0.48,f=-1.2) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -164:sc= -0.0915 (180deg=-0.472) USER MOD Single : A 33 HIS : no HD1:sc= -0.0364 K(o=-0.036,f=-2.4!) USER MOD Single : A 35 THR OG1 : rot 83:sc= 0.869 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= 1.24 (180deg=0.902) USER MOD Single : A 44 THR OG1 : rot 110:sc= 1.29 USER MOD Single : A 46 ASN : amide:sc= -1.59 K(o=-1.6,f=-6.6!) USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= -0.0154 (180deg=-0.175) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 2.07 (180deg=1.86) USER MOD Single : A 58 THR OG1 : rot 65:sc= 1.16 USER MOD Single : A 60 SER OG : rot 66:sc= 1.16 USER MOD Single : A 67 SER OG : rot -129:sc= 0.0785 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0219 K(o=-0.022,f=-2.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0.776 (180deg=0.59) USER MOD Single : A 87 ASN : amide:sc= 0.564 K(o=0.56,f=0) USER MOD Single : A 94 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 100 LYS NZ :NH3+ -154:sc= 0.731 (180deg=-0.386!) USER MOD Single : A 103 LYS NZ :NH3+ -114:sc= 1.65 (180deg=0.585) USER MOD Single : A 106 GLN : amide:sc= -2.26 K(o=-2.3,f=-0.37) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.521 K(o=-0.52,f=0) USER MOD Single : A 112 SER OG : rot 27:sc= -0.0933 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 18 11.200 12.829 2.105 1.00 0.00 N ATOM 2 CA ASN A 18 11.852 11.559 1.795 1.00 0.00 C ATOM 3 C ASN A 18 11.251 11.018 0.536 1.00 0.00 C ATOM 4 O ASN A 18 10.031 10.911 0.422 1.00 0.00 O ATOM 5 CB ASN A 18 11.656 10.518 2.908 1.00 0.00 C ATOM 6 CG ASN A 18 12.129 10.963 4.268 1.00 0.00 C ATOM 7 OD1 ASN A 18 13.026 11.798 4.396 1.00 0.00 O ATOM 8 ND2 ASN A 18 11.553 10.403 5.295 1.00 0.00 N ATOM 0 HA ASN A 18 12.921 11.745 1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.598 10.265 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.186 9.606 2.633 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.842 10.653 6.241 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.813 9.715 5.153 1.00 0.00 H new ATOM 17 N THR A 19 12.094 10.642 -0.389 1.00 0.00 N ATOM 18 CA THR A 19 11.678 10.159 -1.682 1.00 0.00 C ATOM 19 C THR A 19 10.946 8.825 -1.538 1.00 0.00 C ATOM 20 O THR A 19 10.007 8.538 -2.268 1.00 0.00 O ATOM 21 CB THR A 19 12.915 9.996 -2.570 1.00 0.00 C ATOM 22 OG1 THR A 19 13.681 11.219 -2.502 1.00 0.00 O ATOM 23 CG2 THR A 19 12.522 9.718 -4.019 1.00 0.00 C ATOM 0 H THR A 19 13.106 10.663 -0.264 1.00 0.00 H new ATOM 0 HA THR A 19 10.993 10.874 -2.138 1.00 0.00 H new ATOM 0 HB THR A 19 13.503 9.149 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 19 14.480 11.136 -3.063 1.00 0.00 H new ATOM 0 HG21 THR A 19 13.421 9.607 -4.625 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.936 8.800 -4.067 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.928 10.548 -4.400 1.00 0.00 H new ATOM 31 N ALA A 20 11.364 8.048 -0.555 1.00 0.00 N ATOM 32 CA ALA A 20 10.760 6.763 -0.262 1.00 0.00 C ATOM 33 C ALA A 20 9.297 6.943 0.140 1.00 0.00 C ATOM 34 O ALA A 20 8.390 6.274 -0.385 1.00 0.00 O ATOM 35 CB ALA A 20 11.524 6.121 0.871 1.00 0.00 C ATOM 0 H ALA A 20 12.136 8.293 0.065 1.00 0.00 H new ATOM 0 HA ALA A 20 10.798 6.130 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.082 5.152 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.565 5.984 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.477 6.763 1.751 1.00 0.00 H new ATOM 41 N THR A 21 9.072 7.877 1.024 1.00 0.00 N ATOM 42 CA THR A 21 7.767 8.160 1.527 1.00 0.00 C ATOM 43 C THR A 21 6.918 8.817 0.436 1.00 0.00 C ATOM 44 O THR A 21 5.743 8.521 0.302 1.00 0.00 O ATOM 45 CB THR A 21 7.911 9.111 2.686 1.00 0.00 C ATOM 46 OG1 THR A 21 9.117 8.763 3.403 1.00 0.00 O ATOM 47 CG2 THR A 21 6.715 9.026 3.626 1.00 0.00 C ATOM 0 H THR A 21 9.805 8.468 1.417 1.00 0.00 H new ATOM 0 HA THR A 21 7.280 7.238 1.843 1.00 0.00 H new ATOM 0 HB THR A 21 7.962 10.132 2.308 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.077 9.133 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.851 9.725 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.805 9.280 3.081 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.632 8.013 4.019 1.00 0.00 H new ATOM 55 N GLN A 22 7.550 9.685 -0.363 1.00 0.00 N ATOM 56 CA GLN A 22 6.884 10.379 -1.466 1.00 0.00 C ATOM 57 C GLN A 22 6.398 9.341 -2.480 1.00 0.00 C ATOM 58 O GLN A 22 5.276 9.429 -2.999 1.00 0.00 O ATOM 59 CB GLN A 22 7.863 11.414 -2.093 1.00 0.00 C ATOM 60 CG GLN A 22 7.263 12.400 -3.114 1.00 0.00 C ATOM 61 CD GLN A 22 6.925 11.791 -4.464 1.00 0.00 C ATOM 62 OE1 GLN A 22 7.576 10.853 -4.927 1.00 0.00 O ATOM 63 NE2 GLN A 22 5.906 12.302 -5.095 1.00 0.00 N ATOM 0 H GLN A 22 8.536 9.924 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 22 6.014 10.932 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.312 11.991 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.670 10.868 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.358 12.834 -2.690 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.968 13.218 -3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.388 13.079 -4.683 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.626 11.925 -6.001 1.00 0.00 H new ATOM 72 N ARG A 23 7.232 8.338 -2.705 1.00 0.00 N ATOM 73 CA ARG A 23 6.929 7.235 -3.588 1.00 0.00 C ATOM 74 C ARG A 23 5.726 6.448 -3.075 1.00 0.00 C ATOM 75 O ARG A 23 4.868 6.040 -3.853 1.00 0.00 O ATOM 76 CB ARG A 23 8.165 6.323 -3.735 1.00 0.00 C ATOM 77 CG ARG A 23 7.962 5.087 -4.612 1.00 0.00 C ATOM 78 CD ARG A 23 7.540 5.452 -6.027 1.00 0.00 C ATOM 79 NE ARG A 23 8.537 6.274 -6.723 1.00 0.00 N ATOM 80 CZ ARG A 23 8.324 6.891 -7.891 1.00 0.00 C ATOM 81 NH1 ARG A 23 7.131 6.814 -8.487 1.00 0.00 N ATOM 82 NH2 ARG A 23 9.290 7.600 -8.454 1.00 0.00 N ATOM 0 H ARG A 23 8.152 8.271 -2.270 1.00 0.00 H new ATOM 0 HA ARG A 23 6.672 7.631 -4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.984 6.912 -4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.476 5.997 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.887 4.512 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.205 4.445 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.367 4.539 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.593 5.990 -5.992 1.00 0.00 H new ATOM 0 HE ARG A 23 9.453 6.382 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.377 6.283 -8.052 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.974 7.286 -9.377 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.199 7.677 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.125 8.069 -9.344 1.00 0.00 H new ATOM 96 N PHE A 24 5.626 6.268 -1.769 1.00 0.00 N ATOM 97 CA PHE A 24 4.499 5.511 -1.247 1.00 0.00 C ATOM 98 C PHE A 24 3.309 6.395 -0.907 1.00 0.00 C ATOM 99 O PHE A 24 2.234 5.910 -0.548 1.00 0.00 O ATOM 100 CB PHE A 24 4.886 4.571 -0.104 1.00 0.00 C ATOM 101 CG PHE A 24 5.772 3.410 -0.526 1.00 0.00 C ATOM 102 CD1 PHE A 24 5.717 2.889 -1.821 1.00 0.00 C ATOM 103 CD2 PHE A 24 6.634 2.822 0.377 1.00 0.00 C ATOM 104 CE1 PHE A 24 6.503 1.821 -2.191 1.00 0.00 C ATOM 105 CE2 PHE A 24 7.423 1.752 0.002 1.00 0.00 C ATOM 106 CZ PHE A 24 7.358 1.254 -1.279 1.00 0.00 C ATOM 0 H PHE A 24 6.283 6.620 -1.073 1.00 0.00 H new ATOM 0 HA PHE A 24 4.173 4.863 -2.061 1.00 0.00 H new ATOM 0 HB2 PHE A 24 5.401 5.146 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.977 4.174 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.047 3.331 -2.544 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.692 3.202 1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.447 1.430 -3.196 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.095 1.304 0.719 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.979 0.418 -1.567 1.00 0.00 H new ATOM 116 N HIS A 25 3.485 7.680 -1.098 1.00 0.00 N ATOM 117 CA HIS A 25 2.435 8.665 -0.883 1.00 0.00 C ATOM 118 C HIS A 25 1.428 8.558 -2.038 1.00 0.00 C ATOM 119 O HIS A 25 0.268 8.936 -1.917 1.00 0.00 O ATOM 120 CB HIS A 25 3.076 10.064 -0.794 1.00 0.00 C ATOM 121 CG HIS A 25 2.169 11.203 -0.431 1.00 0.00 C ATOM 122 ND1 HIS A 25 2.023 11.651 0.854 1.00 0.00 N ATOM 123 CD2 HIS A 25 1.443 12.041 -1.200 1.00 0.00 C ATOM 124 CE1 HIS A 25 1.252 12.715 0.864 1.00 0.00 C ATOM 125 NE2 HIS A 25 0.888 12.978 -0.370 1.00 0.00 N ATOM 0 H HIS A 25 4.368 8.083 -1.411 1.00 0.00 H new ATOM 0 HA HIS A 25 1.901 8.486 0.050 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.880 10.023 -0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.535 10.289 -1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.322 11.983 -2.272 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.966 13.278 1.740 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.291 13.752 -0.662 1.00 0.00 H new ATOM 134 N GLU A 26 1.894 7.993 -3.137 1.00 0.00 N ATOM 135 CA GLU A 26 1.061 7.708 -4.300 1.00 0.00 C ATOM 136 C GLU A 26 0.054 6.611 -3.916 1.00 0.00 C ATOM 137 O GLU A 26 -1.167 6.704 -4.174 1.00 0.00 O ATOM 138 CB GLU A 26 1.953 7.207 -5.447 1.00 0.00 C ATOM 139 CG GLU A 26 3.097 8.151 -5.811 1.00 0.00 C ATOM 140 CD GLU A 26 2.623 9.457 -6.382 1.00 0.00 C ATOM 141 OE1 GLU A 26 2.096 10.305 -5.634 1.00 0.00 O ATOM 142 OE2 GLU A 26 2.767 9.672 -7.592 1.00 0.00 O ATOM 0 H GLU A 26 2.869 7.715 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 26 0.533 8.606 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.370 6.239 -5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.334 7.047 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.696 8.346 -4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.749 7.660 -6.534 1.00 0.00 H new ATOM 149 N ILE A 27 0.575 5.603 -3.243 1.00 0.00 N ATOM 150 CA ILE A 27 -0.214 4.480 -2.764 1.00 0.00 C ATOM 151 C ILE A 27 -1.145 4.966 -1.653 1.00 0.00 C ATOM 152 O ILE A 27 -2.271 4.500 -1.519 1.00 0.00 O ATOM 153 CB ILE A 27 0.664 3.248 -2.295 1.00 0.00 C ATOM 154 CG1 ILE A 27 1.395 2.561 -3.483 1.00 0.00 C ATOM 155 CG2 ILE A 27 -0.186 2.208 -1.572 1.00 0.00 C ATOM 156 CD1 ILE A 27 2.480 3.370 -4.163 1.00 0.00 C ATOM 0 H ILE A 27 1.566 5.538 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.803 4.103 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 27 1.412 3.651 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.837 1.632 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.651 2.290 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.444 1.374 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.646 2.661 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.965 1.844 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.915 2.786 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.051 4.287 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.256 3.620 -3.439 1.00 0.00 H new ATOM 168 N GLU A 28 -0.663 5.922 -0.875 1.00 0.00 N ATOM 169 CA GLU A 28 -1.464 6.562 0.156 1.00 0.00 C ATOM 170 C GLU A 28 -2.702 7.233 -0.472 1.00 0.00 C ATOM 171 O GLU A 28 -3.787 7.238 0.114 1.00 0.00 O ATOM 172 CB GLU A 28 -0.638 7.595 0.898 1.00 0.00 C ATOM 173 CG GLU A 28 -1.390 8.293 2.007 1.00 0.00 C ATOM 174 CD GLU A 28 -0.615 9.421 2.584 1.00 0.00 C ATOM 175 OE1 GLU A 28 -0.712 10.544 2.059 1.00 0.00 O ATOM 176 OE2 GLU A 28 0.117 9.216 3.578 1.00 0.00 O ATOM 0 H GLU A 28 0.292 6.275 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.794 5.800 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.243 7.109 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.282 8.341 0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.339 8.665 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.624 7.575 2.793 1.00 0.00 H new ATOM 183 N LYS A 29 -2.537 7.776 -1.669 1.00 0.00 N ATOM 184 CA LYS A 29 -3.662 8.366 -2.379 1.00 0.00 C ATOM 185 C LYS A 29 -4.674 7.308 -2.759 1.00 0.00 C ATOM 186 O LYS A 29 -5.881 7.530 -2.643 1.00 0.00 O ATOM 187 CB LYS A 29 -3.229 9.205 -3.568 1.00 0.00 C ATOM 188 CG LYS A 29 -2.460 10.428 -3.146 1.00 0.00 C ATOM 189 CD LYS A 29 -2.243 11.390 -4.285 1.00 0.00 C ATOM 190 CE LYS A 29 -1.479 12.607 -3.813 1.00 0.00 C ATOM 191 NZ LYS A 29 -2.162 13.294 -2.697 1.00 0.00 N ATOM 0 H LYS A 29 -1.646 7.821 -2.164 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.150 9.059 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.612 8.600 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.108 9.508 -4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.998 10.934 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.495 10.125 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.693 10.896 -5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.204 11.695 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.480 12.307 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.355 13.301 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.767 14.249 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.179 13.362 -2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.021 12.755 -1.819 1.00 0.00 H new ATOM 205 N PHE A 30 -4.187 6.144 -3.180 1.00 0.00 N ATOM 206 CA PHE A 30 -5.076 4.995 -3.402 1.00 0.00 C ATOM 207 C PHE A 30 -5.808 4.657 -2.110 1.00 0.00 C ATOM 208 O PHE A 30 -7.013 4.505 -2.089 1.00 0.00 O ATOM 209 CB PHE A 30 -4.303 3.748 -3.857 1.00 0.00 C ATOM 210 CG PHE A 30 -3.882 3.726 -5.300 1.00 0.00 C ATOM 211 CD1 PHE A 30 -2.733 4.367 -5.723 1.00 0.00 C ATOM 212 CD2 PHE A 30 -4.645 3.043 -6.232 1.00 0.00 C ATOM 213 CE1 PHE A 30 -2.350 4.333 -7.051 1.00 0.00 C ATOM 214 CE2 PHE A 30 -4.269 3.004 -7.560 1.00 0.00 C ATOM 215 CZ PHE A 30 -3.118 3.650 -7.971 1.00 0.00 C ATOM 0 H PHE A 30 -3.201 5.967 -3.373 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.777 5.276 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.412 3.651 -3.237 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.922 2.871 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.126 4.901 -5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.544 2.535 -5.917 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.451 4.840 -7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.874 2.469 -8.277 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.821 3.620 -9.009 1.00 0.00 H new ATOM 225 N LEU A 31 -5.050 4.625 -1.036 1.00 0.00 N ATOM 226 CA LEU A 31 -5.517 4.263 0.302 1.00 0.00 C ATOM 227 C LEU A 31 -6.668 5.178 0.752 1.00 0.00 C ATOM 228 O LEU A 31 -7.734 4.692 1.194 1.00 0.00 O ATOM 229 CB LEU A 31 -4.263 4.349 1.248 1.00 0.00 C ATOM 230 CG LEU A 31 -4.365 4.083 2.773 1.00 0.00 C ATOM 231 CD1 LEU A 31 -5.133 5.157 3.528 1.00 0.00 C ATOM 232 CD2 LEU A 31 -4.928 2.721 3.048 1.00 0.00 C ATOM 0 H LEU A 31 -4.057 4.857 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.930 3.255 0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.524 3.650 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.848 5.350 1.130 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.344 4.122 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.164 4.905 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.637 6.119 3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.150 5.218 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.988 2.563 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.925 2.645 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.281 1.964 2.605 1.00 0.00 H new ATOM 244 N LEU A 32 -6.492 6.472 0.605 1.00 0.00 N ATOM 245 CA LEU A 32 -7.529 7.393 0.998 1.00 0.00 C ATOM 246 C LEU A 32 -8.727 7.315 0.062 1.00 0.00 C ATOM 247 O LEU A 32 -9.881 7.396 0.501 1.00 0.00 O ATOM 248 CB LEU A 32 -6.994 8.830 1.249 1.00 0.00 C ATOM 249 CG LEU A 32 -6.245 9.547 0.110 1.00 0.00 C ATOM 250 CD1 LEU A 32 -7.189 10.115 -0.940 1.00 0.00 C ATOM 251 CD2 LEU A 32 -5.334 10.626 0.663 1.00 0.00 C ATOM 0 H LEU A 32 -5.652 6.904 0.221 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.901 7.078 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.842 9.454 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.327 8.789 2.110 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.633 8.797 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.610 10.610 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.773 9.307 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.860 10.836 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.815 11.120 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.928 11.359 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.604 10.176 1.336 1.00 0.00 H new ATOM 263 N HIS A 33 -8.453 7.092 -1.216 1.00 0.00 N ATOM 264 CA HIS A 33 -9.500 6.928 -2.200 1.00 0.00 C ATOM 265 C HIS A 33 -10.331 5.684 -1.911 1.00 0.00 C ATOM 266 O HIS A 33 -11.535 5.744 -1.995 1.00 0.00 O ATOM 267 CB HIS A 33 -8.934 6.908 -3.640 1.00 0.00 C ATOM 268 CG HIS A 33 -9.924 6.481 -4.710 1.00 0.00 C ATOM 269 ND1 HIS A 33 -9.635 5.522 -5.630 1.00 0.00 N ATOM 270 CD2 HIS A 33 -11.198 6.872 -4.976 1.00 0.00 C ATOM 271 CE1 HIS A 33 -10.667 5.330 -6.410 1.00 0.00 C ATOM 272 NE2 HIS A 33 -11.634 6.128 -6.040 1.00 0.00 N ATOM 0 H HIS A 33 -7.507 7.021 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.158 7.794 -2.127 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.565 7.904 -3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.077 6.235 -3.669 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.761 7.627 -4.448 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.713 4.626 -7.228 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.557 6.187 -6.471 1.00 0.00 H new ATOM 281 N ILE A 34 -9.688 4.583 -1.555 1.00 0.00 N ATOM 282 CA ILE A 34 -10.379 3.343 -1.284 1.00 0.00 C ATOM 283 C ILE A 34 -11.323 3.504 -0.090 1.00 0.00 C ATOM 284 O ILE A 34 -12.485 3.141 -0.165 1.00 0.00 O ATOM 285 CB ILE A 34 -9.360 2.189 -1.071 1.00 0.00 C ATOM 286 CG1 ILE A 34 -8.610 1.919 -2.384 1.00 0.00 C ATOM 287 CG2 ILE A 34 -10.041 0.919 -0.573 1.00 0.00 C ATOM 288 CD1 ILE A 34 -7.364 1.089 -2.212 1.00 0.00 C ATOM 0 H ILE A 34 -8.675 4.529 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.991 3.082 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.651 2.497 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.281 1.411 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.341 2.871 -2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.295 0.136 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -10.535 1.120 0.378 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.781 0.592 -1.304 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.889 0.940 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.673 1.604 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.627 0.121 -1.785 1.00 0.00 H new ATOM 300 N THR A 35 -10.839 4.123 0.961 1.00 0.00 N ATOM 301 CA THR A 35 -11.642 4.357 2.149 1.00 0.00 C ATOM 302 C THR A 35 -12.838 5.303 1.818 1.00 0.00 C ATOM 303 O THR A 35 -13.992 5.040 2.186 1.00 0.00 O ATOM 304 CB THR A 35 -10.768 4.988 3.235 1.00 0.00 C ATOM 305 OG1 THR A 35 -9.522 4.253 3.329 1.00 0.00 O ATOM 306 CG2 THR A 35 -11.462 4.950 4.587 1.00 0.00 C ATOM 0 H THR A 35 -9.885 4.478 1.022 1.00 0.00 H new ATOM 0 HA THR A 35 -12.038 3.406 2.504 1.00 0.00 H new ATOM 0 HB THR A 35 -10.583 6.028 2.966 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.899 4.576 2.644 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.818 5.405 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.400 5.502 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.666 3.915 4.862 1.00 0.00 H new ATOM 314 N HIS A 36 -12.555 6.369 1.065 1.00 0.00 N ATOM 315 CA HIS A 36 -13.587 7.328 0.662 1.00 0.00 C ATOM 316 C HIS A 36 -14.575 6.666 -0.289 1.00 0.00 C ATOM 317 O HIS A 36 -15.738 7.031 -0.351 1.00 0.00 O ATOM 318 CB HIS A 36 -12.970 8.563 -0.001 1.00 0.00 C ATOM 319 CG HIS A 36 -13.957 9.678 -0.237 1.00 0.00 C ATOM 320 ND1 HIS A 36 -14.552 9.924 -1.452 1.00 0.00 N ATOM 321 CD2 HIS A 36 -14.444 10.616 0.605 1.00 0.00 C ATOM 322 CE1 HIS A 36 -15.351 10.959 -1.340 1.00 0.00 C ATOM 323 NE2 HIS A 36 -15.303 11.395 -0.107 1.00 0.00 N ATOM 0 H HIS A 36 -11.620 6.590 0.722 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.113 7.653 1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -12.158 8.934 0.625 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.529 8.271 -0.954 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -14.197 10.727 1.650 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.949 11.381 -2.134 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -15.825 12.190 0.261 1.00 0.00 H new ATOM 332 N GLU A 37 -14.083 5.729 -1.057 1.00 0.00 N ATOM 333 CA GLU A 37 -14.879 4.987 -1.968 1.00 0.00 C ATOM 334 C GLU A 37 -15.868 4.147 -1.179 1.00 0.00 C ATOM 335 O GLU A 37 -16.990 3.984 -1.594 1.00 0.00 O ATOM 336 CB GLU A 37 -13.998 4.090 -2.820 1.00 0.00 C ATOM 337 CG GLU A 37 -14.616 3.693 -4.126 1.00 0.00 C ATOM 338 CD GLU A 37 -14.669 4.848 -5.097 1.00 0.00 C ATOM 339 OE1 GLU A 37 -15.436 5.801 -4.885 1.00 0.00 O ATOM 340 OE2 GLU A 37 -13.953 4.818 -6.113 1.00 0.00 O ATOM 0 H GLU A 37 -13.098 5.464 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.417 5.669 -2.627 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.056 4.603 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.759 3.190 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.044 2.876 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.625 3.319 -3.952 1.00 0.00 H new ATOM 347 N VAL A 38 -15.444 3.679 0.003 1.00 0.00 N ATOM 348 CA VAL A 38 -16.285 2.907 0.892 1.00 0.00 C ATOM 349 C VAL A 38 -17.430 3.795 1.344 1.00 0.00 C ATOM 350 O VAL A 38 -18.572 3.351 1.456 1.00 0.00 O ATOM 351 CB VAL A 38 -15.500 2.373 2.138 1.00 0.00 C ATOM 352 CG1 VAL A 38 -16.407 1.559 3.046 1.00 0.00 C ATOM 353 CG2 VAL A 38 -14.336 1.504 1.710 1.00 0.00 C ATOM 0 H VAL A 38 -14.501 3.833 0.360 1.00 0.00 H new ATOM 0 HA VAL A 38 -16.653 2.033 0.354 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.128 3.242 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.837 1.200 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.230 2.184 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.806 0.708 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.806 1.145 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.708 0.653 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.655 2.087 1.090 1.00 0.00 H new ATOM 363 N ASP A 39 -17.118 5.062 1.583 1.00 0.00 N ATOM 364 CA ASP A 39 -18.150 6.055 1.918 1.00 0.00 C ATOM 365 C ASP A 39 -19.167 6.179 0.782 1.00 0.00 C ATOM 366 O ASP A 39 -20.416 6.153 0.983 1.00 0.00 O ATOM 367 CB ASP A 39 -17.553 7.467 2.140 1.00 0.00 C ATOM 368 CG ASP A 39 -16.765 7.656 3.405 1.00 0.00 C ATOM 369 OD1 ASP A 39 -15.557 7.351 3.427 1.00 0.00 O ATOM 370 OD2 ASP A 39 -17.339 8.177 4.392 1.00 0.00 O ATOM 0 H ASP A 39 -16.168 5.432 1.553 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.619 5.702 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.908 7.704 1.294 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -18.368 8.190 2.132 1.00 0.00 H new ATOM 375 N ASP A 40 -18.631 6.254 -0.410 1.00 0.00 N ATOM 376 CA ASP A 40 -19.377 6.535 -1.594 1.00 0.00 C ATOM 377 C ASP A 40 -20.252 5.380 -1.950 1.00 0.00 C ATOM 378 O ASP A 40 -21.443 5.549 -2.116 1.00 0.00 O ATOM 379 CB ASP A 40 -18.415 6.869 -2.737 1.00 0.00 C ATOM 380 CG ASP A 40 -19.113 7.327 -3.999 1.00 0.00 C ATOM 381 OD1 ASP A 40 -19.494 6.495 -4.837 1.00 0.00 O ATOM 382 OD2 ASP A 40 -19.259 8.543 -4.191 1.00 0.00 O ATOM 0 H ASP A 40 -17.635 6.116 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 40 -20.022 7.395 -1.416 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -17.729 7.649 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -17.813 5.989 -2.963 1.00 0.00 H new ATOM 387 N LEU A 41 -19.684 4.195 -1.940 1.00 0.00 N ATOM 388 CA LEU A 41 -20.382 3.007 -2.322 1.00 0.00 C ATOM 389 C LEU A 41 -21.447 2.683 -1.326 1.00 0.00 C ATOM 390 O LEU A 41 -22.496 2.203 -1.691 1.00 0.00 O ATOM 391 CB LEU A 41 -19.433 1.824 -2.632 1.00 0.00 C ATOM 392 CG LEU A 41 -18.417 1.404 -1.563 1.00 0.00 C ATOM 393 CD1 LEU A 41 -19.038 0.611 -0.425 1.00 0.00 C ATOM 394 CD2 LEU A 41 -17.263 0.665 -2.191 1.00 0.00 C ATOM 0 H LEU A 41 -18.715 4.037 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 41 -20.884 3.201 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.050 0.956 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -18.879 2.071 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.038 2.320 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -18.266 0.345 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.801 1.215 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -19.493 -0.297 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.552 0.375 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.634 -0.227 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.767 1.312 -2.915 1.00 0.00 H new ATOM 406 N GLU A 42 -21.175 2.983 -0.062 1.00 0.00 N ATOM 407 CA GLU A 42 -22.121 2.740 0.987 1.00 0.00 C ATOM 408 C GLU A 42 -23.394 3.540 0.761 1.00 0.00 C ATOM 409 O GLU A 42 -24.504 3.006 0.888 1.00 0.00 O ATOM 410 CB GLU A 42 -21.558 3.081 2.359 1.00 0.00 C ATOM 411 CG GLU A 42 -22.570 2.853 3.455 1.00 0.00 C ATOM 412 CD GLU A 42 -22.125 3.306 4.801 1.00 0.00 C ATOM 413 OE1 GLU A 42 -22.275 4.504 5.112 1.00 0.00 O ATOM 414 OE2 GLU A 42 -21.641 2.474 5.587 1.00 0.00 O ATOM 0 H GLU A 42 -20.297 3.398 0.249 1.00 0.00 H new ATOM 0 HA GLU A 42 -22.344 1.673 0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -20.673 2.473 2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -21.238 4.123 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -23.493 3.373 3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -22.805 1.790 3.501 1.00 0.00 H new ATOM 421 N LYS A 43 -23.254 4.808 0.363 1.00 0.00 N ATOM 422 CA LYS A 43 -24.451 5.642 0.209 1.00 0.00 C ATOM 423 C LYS A 43 -25.100 5.364 -1.130 1.00 0.00 C ATOM 424 O LYS A 43 -26.241 5.721 -1.388 1.00 0.00 O ATOM 425 CB LYS A 43 -24.134 7.134 0.370 1.00 0.00 C ATOM 426 CG LYS A 43 -23.425 7.492 1.675 1.00 0.00 C ATOM 427 CD LYS A 43 -24.113 6.885 2.894 1.00 0.00 C ATOM 428 CE LYS A 43 -23.443 7.332 4.183 1.00 0.00 C ATOM 429 NZ LYS A 43 -23.941 6.584 5.361 1.00 0.00 N ATOM 0 H LYS A 43 -22.367 5.264 0.150 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.150 5.382 1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -23.512 7.453 -0.466 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -25.064 7.699 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.393 7.144 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -23.392 8.576 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -25.163 7.178 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.087 5.797 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.365 7.195 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -23.618 8.398 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.000 7.224 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -24.885 6.199 5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.289 5.804 5.578 1.00 0.00 H new ATOM 443 N THR A 44 -24.356 4.694 -1.934 1.00 0.00 N ATOM 444 CA THR A 44 -24.705 4.321 -3.267 1.00 0.00 C ATOM 445 C THR A 44 -25.302 2.873 -3.288 1.00 0.00 C ATOM 446 O THR A 44 -25.771 2.370 -4.323 1.00 0.00 O ATOM 447 CB THR A 44 -23.399 4.471 -4.078 1.00 0.00 C ATOM 448 OG1 THR A 44 -23.033 5.853 -4.144 1.00 0.00 O ATOM 449 CG2 THR A 44 -23.410 3.894 -5.445 1.00 0.00 C ATOM 0 H THR A 44 -23.427 4.369 -1.666 1.00 0.00 H new ATOM 0 HA THR A 44 -25.486 4.944 -3.702 1.00 0.00 H new ATOM 0 HB THR A 44 -22.663 3.880 -3.533 1.00 0.00 H new ATOM 0 HG1 THR A 44 -22.235 6.007 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 44 -22.442 4.059 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 44 -23.607 2.824 -5.387 1.00 0.00 H new ATOM 0 HG23 THR A 44 -24.189 4.375 -6.037 1.00 0.00 H new ATOM 457 N GLY A 45 -25.300 2.226 -2.131 1.00 0.00 N ATOM 458 CA GLY A 45 -25.880 0.911 -2.019 1.00 0.00 C ATOM 459 C GLY A 45 -24.845 -0.185 -1.906 1.00 0.00 C ATOM 460 O GLY A 45 -24.914 -1.004 -0.984 1.00 0.00 O ATOM 0 H GLY A 45 -24.904 2.594 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -26.530 0.880 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.508 0.722 -2.890 1.00 0.00 H new ATOM 464 N ASN A 46 -23.881 -0.183 -2.841 1.00 0.00 N ATOM 465 CA ASN A 46 -22.821 -1.187 -2.932 1.00 0.00 C ATOM 466 C ASN A 46 -23.369 -2.505 -3.407 1.00 0.00 C ATOM 467 O ASN A 46 -23.677 -3.408 -2.612 1.00 0.00 O ATOM 468 CB ASN A 46 -22.048 -1.400 -1.627 1.00 0.00 C ATOM 469 CG ASN A 46 -21.091 -2.562 -1.767 1.00 0.00 C ATOM 470 OD1 ASN A 46 -20.515 -2.787 -2.845 1.00 0.00 O ATOM 471 ND2 ASN A 46 -20.962 -3.340 -0.732 1.00 0.00 N ATOM 0 H ASN A 46 -23.820 0.532 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 46 -22.112 -0.788 -3.658 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.497 -0.495 -1.371 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -22.745 -1.590 -0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.371 -4.169 -0.788 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -21.452 -3.120 0.135 1.00 0.00 H new ATOM 478 N LYS A 47 -23.681 -2.563 -4.650 1.00 0.00 N ATOM 479 CA LYS A 47 -24.028 -3.823 -5.209 1.00 0.00 C ATOM 480 C LYS A 47 -22.829 -4.754 -5.363 1.00 0.00 C ATOM 481 O LYS A 47 -22.866 -5.909 -4.941 1.00 0.00 O ATOM 482 CB LYS A 47 -24.906 -3.734 -6.458 1.00 0.00 C ATOM 483 CG LYS A 47 -26.253 -3.050 -6.225 1.00 0.00 C ATOM 484 CD LYS A 47 -27.026 -3.713 -5.088 1.00 0.00 C ATOM 485 CE LYS A 47 -28.417 -3.121 -4.921 1.00 0.00 C ATOM 486 NZ LYS A 47 -29.285 -3.420 -6.078 1.00 0.00 N ATOM 0 H LYS A 47 -23.704 -1.771 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 47 -24.672 -4.296 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -24.364 -3.191 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -25.082 -4.740 -6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -26.093 -1.997 -5.992 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -26.845 -3.088 -7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -27.108 -4.783 -5.282 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -26.470 -3.599 -4.157 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -28.873 -3.516 -4.013 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -28.339 -2.041 -4.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -30.270 -3.182 -5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -28.978 -2.857 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -29.219 -4.432 -6.309 1.00 0.00 H new ATOM 500 N ASP A 48 -21.770 -4.236 -5.933 1.00 0.00 N ATOM 501 CA ASP A 48 -20.602 -5.063 -6.263 1.00 0.00 C ATOM 502 C ASP A 48 -19.291 -4.281 -6.133 1.00 0.00 C ATOM 503 O ASP A 48 -18.205 -4.865 -6.047 1.00 0.00 O ATOM 504 CB ASP A 48 -20.770 -5.609 -7.701 1.00 0.00 C ATOM 505 CG ASP A 48 -19.634 -6.495 -8.182 1.00 0.00 C ATOM 506 OD1 ASP A 48 -19.470 -7.597 -7.666 1.00 0.00 O ATOM 507 OD2 ASP A 48 -18.907 -6.113 -9.124 1.00 0.00 O ATOM 0 H ASP A 48 -21.678 -3.251 -6.183 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.547 -5.888 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.700 -6.174 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -20.870 -4.766 -8.385 1.00 0.00 H new ATOM 512 N GLU A 49 -19.409 -2.963 -6.035 1.00 0.00 N ATOM 513 CA GLU A 49 -18.274 -2.064 -6.018 1.00 0.00 C ATOM 514 C GLU A 49 -17.375 -2.314 -4.845 1.00 0.00 C ATOM 515 O GLU A 49 -16.196 -2.336 -5.012 1.00 0.00 O ATOM 516 CB GLU A 49 -18.769 -0.618 -6.038 1.00 0.00 C ATOM 517 CG GLU A 49 -17.684 0.450 -6.106 1.00 0.00 C ATOM 518 CD GLU A 49 -16.793 0.325 -7.326 1.00 0.00 C ATOM 519 OE1 GLU A 49 -17.322 0.087 -8.452 1.00 0.00 O ATOM 520 OE2 GLU A 49 -15.562 0.493 -7.200 1.00 0.00 O ATOM 0 H GLU A 49 -20.309 -2.488 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.676 -2.250 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -19.432 -0.492 -6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -19.368 -0.446 -5.143 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -18.153 1.434 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -17.069 0.390 -5.208 1.00 0.00 H new ATOM 527 N LYS A 50 -17.929 -2.549 -3.684 1.00 0.00 N ATOM 528 CA LYS A 50 -17.095 -2.748 -2.506 1.00 0.00 C ATOM 529 C LYS A 50 -16.256 -3.990 -2.617 1.00 0.00 C ATOM 530 O LYS A 50 -15.065 -3.958 -2.379 1.00 0.00 O ATOM 531 CB LYS A 50 -17.923 -2.814 -1.270 1.00 0.00 C ATOM 532 CG LYS A 50 -17.118 -2.722 0.005 1.00 0.00 C ATOM 533 CD LYS A 50 -18.022 -2.566 1.190 1.00 0.00 C ATOM 534 CE LYS A 50 -18.679 -3.864 1.620 1.00 0.00 C ATOM 535 NZ LYS A 50 -17.699 -4.879 2.073 1.00 0.00 N ATOM 0 H LYS A 50 -18.934 -2.608 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.427 -1.889 -2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.652 -2.004 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.484 -3.748 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -16.508 -3.618 0.122 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.434 -1.875 -0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.449 -2.163 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.796 -1.836 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.383 -3.660 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -19.255 -4.268 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.204 -5.726 2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.073 -5.134 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.131 -4.490 2.852 1.00 0.00 H new ATOM 549 N ALA A 51 -16.889 -5.062 -2.977 1.00 0.00 N ATOM 550 CA ALA A 51 -16.198 -6.342 -3.183 1.00 0.00 C ATOM 551 C ALA A 51 -15.107 -6.209 -4.253 1.00 0.00 C ATOM 552 O ALA A 51 -13.971 -6.707 -4.081 1.00 0.00 O ATOM 553 CB ALA A 51 -17.196 -7.425 -3.569 1.00 0.00 C ATOM 0 H ALA A 51 -17.895 -5.098 -3.141 1.00 0.00 H new ATOM 0 HA ALA A 51 -15.719 -6.627 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.670 -8.368 -3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.932 -7.542 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -17.702 -7.141 -4.492 1.00 0.00 H new ATOM 559 N ARG A 52 -15.428 -5.495 -5.313 1.00 0.00 N ATOM 560 CA ARG A 52 -14.497 -5.259 -6.401 1.00 0.00 C ATOM 561 C ARG A 52 -13.359 -4.352 -5.911 1.00 0.00 C ATOM 562 O ARG A 52 -12.187 -4.614 -6.165 1.00 0.00 O ATOM 563 CB ARG A 52 -15.227 -4.597 -7.560 1.00 0.00 C ATOM 564 CG ARG A 52 -14.452 -4.571 -8.863 1.00 0.00 C ATOM 565 CD ARG A 52 -15.199 -3.775 -9.912 1.00 0.00 C ATOM 566 NE ARG A 52 -16.592 -4.221 -10.062 1.00 0.00 N ATOM 567 CZ ARG A 52 -17.538 -3.562 -10.731 1.00 0.00 C ATOM 568 NH1 ARG A 52 -17.252 -2.430 -11.381 1.00 0.00 N ATOM 569 NH2 ARG A 52 -18.764 -4.034 -10.728 1.00 0.00 N ATOM 0 H ARG A 52 -16.342 -5.061 -5.446 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.079 -6.208 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -16.170 -5.119 -7.724 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -15.474 -3.573 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.468 -4.132 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.292 -5.589 -9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -15.185 -2.719 -9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.685 -3.867 -10.869 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.855 -5.102 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.301 -2.061 -11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -17.985 -1.935 -11.889 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -18.979 -4.891 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -19.501 -3.543 -11.234 1.00 0.00 H new ATOM 583 N LEU A 53 -13.726 -3.307 -5.186 1.00 0.00 N ATOM 584 CA LEU A 53 -12.807 -2.376 -4.602 1.00 0.00 C ATOM 585 C LEU A 53 -11.862 -3.065 -3.606 1.00 0.00 C ATOM 586 O LEU A 53 -10.683 -2.732 -3.522 1.00 0.00 O ATOM 587 CB LEU A 53 -13.589 -1.284 -3.900 1.00 0.00 C ATOM 588 CG LEU A 53 -12.763 -0.359 -3.081 1.00 0.00 C ATOM 589 CD1 LEU A 53 -11.910 0.558 -3.958 1.00 0.00 C ATOM 590 CD2 LEU A 53 -13.589 0.401 -2.070 1.00 0.00 C ATOM 0 H LEU A 53 -14.702 -3.088 -4.989 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.195 -1.949 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.128 -0.703 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.337 -1.747 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.070 -0.970 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.319 1.220 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.243 -0.045 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.559 1.153 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.942 1.064 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.345 0.991 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.077 -0.303 -1.396 1.00 0.00 H new ATOM 602 N LEU A 54 -12.375 -4.015 -2.855 1.00 0.00 N ATOM 603 CA LEU A 54 -11.543 -4.767 -1.935 1.00 0.00 C ATOM 604 C LEU A 54 -10.519 -5.565 -2.710 1.00 0.00 C ATOM 605 O LEU A 54 -9.360 -5.668 -2.311 1.00 0.00 O ATOM 606 CB LEU A 54 -12.371 -5.666 -1.010 1.00 0.00 C ATOM 607 CG LEU A 54 -13.330 -4.938 -0.064 1.00 0.00 C ATOM 608 CD1 LEU A 54 -14.062 -5.920 0.830 1.00 0.00 C ATOM 609 CD2 LEU A 54 -12.586 -3.901 0.767 1.00 0.00 C ATOM 0 H LEU A 54 -13.358 -4.286 -2.861 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.024 -4.059 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.950 -6.355 -1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.688 -6.269 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.072 -4.419 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.736 -5.377 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.637 -6.613 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -13.340 -6.477 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.287 -3.396 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.815 -4.394 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.122 -3.169 0.105 1.00 0.00 H new ATOM 621 N ARG A 55 -10.924 -6.062 -3.854 1.00 0.00 N ATOM 622 CA ARG A 55 -10.008 -6.792 -4.722 1.00 0.00 C ATOM 623 C ARG A 55 -8.977 -5.817 -5.308 1.00 0.00 C ATOM 624 O ARG A 55 -7.795 -6.127 -5.401 1.00 0.00 O ATOM 625 CB ARG A 55 -10.757 -7.524 -5.834 1.00 0.00 C ATOM 626 CG ARG A 55 -9.863 -8.404 -6.688 1.00 0.00 C ATOM 627 CD ARG A 55 -10.640 -9.094 -7.783 1.00 0.00 C ATOM 628 NE ARG A 55 -9.793 -10.028 -8.529 1.00 0.00 N ATOM 629 CZ ARG A 55 -10.179 -10.746 -9.586 1.00 0.00 C ATOM 630 NH1 ARG A 55 -11.353 -10.529 -10.154 1.00 0.00 N ATOM 631 NH2 ARG A 55 -9.365 -11.654 -10.093 1.00 0.00 N ATOM 0 H ARG A 55 -11.876 -5.979 -4.212 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.493 -7.548 -4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.541 -8.138 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.250 -6.791 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.071 -7.799 -7.130 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.380 -9.151 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.484 -9.631 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -11.052 -8.349 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 55 -8.829 -10.139 -8.215 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.973 -9.808 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.639 -11.083 -10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.446 -11.804 -9.677 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.655 -12.205 -10.901 1.00 0.00 H new ATOM 645 N GLU A 56 -9.443 -4.614 -5.608 1.00 0.00 N ATOM 646 CA GLU A 56 -8.625 -3.525 -6.135 1.00 0.00 C ATOM 647 C GLU A 56 -7.540 -3.166 -5.119 1.00 0.00 C ATOM 648 O GLU A 56 -6.361 -3.002 -5.469 1.00 0.00 O ATOM 649 CB GLU A 56 -9.540 -2.305 -6.360 1.00 0.00 C ATOM 650 CG GLU A 56 -8.857 -1.027 -6.810 1.00 0.00 C ATOM 651 CD GLU A 56 -8.369 -1.085 -8.237 1.00 0.00 C ATOM 652 OE1 GLU A 56 -7.235 -1.518 -8.474 1.00 0.00 O ATOM 653 OE2 GLU A 56 -9.124 -0.657 -9.157 1.00 0.00 O ATOM 0 H GLU A 56 -10.424 -4.359 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.152 -3.824 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.290 -2.572 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.072 -2.100 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.552 -0.194 -6.704 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.012 -0.823 -6.152 1.00 0.00 H new ATOM 660 N LEU A 57 -7.921 -3.101 -3.854 1.00 0.00 N ATOM 661 CA LEU A 57 -6.987 -2.762 -2.823 1.00 0.00 C ATOM 662 C LEU A 57 -6.021 -3.909 -2.608 1.00 0.00 C ATOM 663 O LEU A 57 -4.880 -3.696 -2.268 1.00 0.00 O ATOM 664 CB LEU A 57 -7.683 -2.265 -1.517 1.00 0.00 C ATOM 665 CG LEU A 57 -8.365 -3.266 -0.580 1.00 0.00 C ATOM 666 CD1 LEU A 57 -7.349 -4.001 0.257 1.00 0.00 C ATOM 667 CD2 LEU A 57 -9.348 -2.553 0.318 1.00 0.00 C ATOM 0 H LEU A 57 -8.871 -3.280 -3.529 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.402 -1.903 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.932 -1.734 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.435 -1.532 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.898 -3.993 -1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.860 -4.706 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.664 -4.543 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.787 -3.286 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.826 -3.275 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.822 -1.808 0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.106 -2.061 -0.291 1.00 0.00 H new ATOM 679 N THR A 58 -6.494 -5.126 -2.836 1.00 0.00 N ATOM 680 CA THR A 58 -5.660 -6.298 -2.712 1.00 0.00 C ATOM 681 C THR A 58 -4.536 -6.246 -3.768 1.00 0.00 C ATOM 682 O THR A 58 -3.360 -6.563 -3.486 1.00 0.00 O ATOM 683 CB THR A 58 -6.495 -7.589 -2.856 1.00 0.00 C ATOM 684 OG1 THR A 58 -7.578 -7.546 -1.921 1.00 0.00 O ATOM 685 CG2 THR A 58 -5.651 -8.826 -2.571 1.00 0.00 C ATOM 0 H THR A 58 -7.457 -5.321 -3.109 1.00 0.00 H new ATOM 0 HA THR A 58 -5.211 -6.309 -1.719 1.00 0.00 H new ATOM 0 HB THR A 58 -6.865 -7.649 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.183 -6.811 -2.155 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.266 -9.719 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.820 -8.869 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.263 -8.775 -1.554 1.00 0.00 H new ATOM 693 N VAL A 59 -4.903 -5.790 -4.965 1.00 0.00 N ATOM 694 CA VAL A 59 -3.948 -5.578 -6.040 1.00 0.00 C ATOM 695 C VAL A 59 -3.010 -4.437 -5.638 1.00 0.00 C ATOM 696 O VAL A 59 -1.799 -4.494 -5.864 1.00 0.00 O ATOM 697 CB VAL A 59 -4.657 -5.223 -7.383 1.00 0.00 C ATOM 698 CG1 VAL A 59 -3.643 -5.009 -8.494 1.00 0.00 C ATOM 699 CG2 VAL A 59 -5.639 -6.313 -7.783 1.00 0.00 C ATOM 0 H VAL A 59 -5.866 -5.560 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.391 -6.502 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.207 -4.295 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.164 -4.763 -9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.975 -4.191 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.061 -5.920 -8.636 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.120 -6.042 -8.723 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.106 -7.255 -7.907 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.396 -6.424 -7.006 1.00 0.00 H new ATOM 709 N SER A 60 -3.582 -3.424 -4.996 1.00 0.00 N ATOM 710 CA SER A 60 -2.825 -2.285 -4.512 1.00 0.00 C ATOM 711 C SER A 60 -1.752 -2.734 -3.517 1.00 0.00 C ATOM 712 O SER A 60 -0.566 -2.359 -3.643 1.00 0.00 O ATOM 713 CB SER A 60 -3.756 -1.224 -3.913 1.00 0.00 C ATOM 714 OG SER A 60 -4.743 -0.820 -4.864 1.00 0.00 O ATOM 0 H SER A 60 -4.581 -3.373 -4.799 1.00 0.00 H new ATOM 0 HA SER A 60 -2.314 -1.823 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.243 -1.622 -3.023 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.173 -0.359 -3.597 1.00 0.00 H new ATOM 0 HG SER A 60 -5.336 -1.575 -5.060 1.00 0.00 H new ATOM 720 N GLU A 61 -2.159 -3.593 -2.591 1.00 0.00 N ATOM 721 CA GLU A 61 -1.249 -4.186 -1.622 1.00 0.00 C ATOM 722 C GLU A 61 -0.154 -4.947 -2.346 1.00 0.00 C ATOM 723 O GLU A 61 0.987 -4.925 -1.939 1.00 0.00 O ATOM 724 CB GLU A 61 -1.945 -5.172 -0.648 1.00 0.00 C ATOM 725 CG GLU A 61 -3.015 -4.594 0.272 1.00 0.00 C ATOM 726 CD GLU A 61 -3.397 -5.567 1.387 1.00 0.00 C ATOM 727 OE1 GLU A 61 -4.152 -6.546 1.140 1.00 0.00 O ATOM 728 OE2 GLU A 61 -2.899 -5.408 2.512 1.00 0.00 O ATOM 0 H GLU A 61 -3.127 -3.897 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.849 -3.357 -1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.399 -5.968 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.177 -5.634 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.653 -3.664 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.901 -4.347 -0.313 1.00 0.00 H new ATOM 735 N ALA A 62 -0.513 -5.572 -3.449 1.00 0.00 N ATOM 736 CA ALA A 62 0.407 -6.401 -4.194 1.00 0.00 C ATOM 737 C ALA A 62 1.541 -5.625 -4.845 1.00 0.00 C ATOM 738 O ALA A 62 2.704 -6.031 -4.719 1.00 0.00 O ATOM 739 CB ALA A 62 -0.314 -7.291 -5.193 1.00 0.00 C ATOM 0 H ALA A 62 -1.449 -5.519 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 62 0.881 -7.047 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.414 -7.898 -5.732 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.009 -7.943 -4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.865 -6.672 -5.901 1.00 0.00 H new ATOM 745 N PHE A 63 1.252 -4.500 -5.498 1.00 0.00 N ATOM 746 CA PHE A 63 2.329 -3.793 -6.181 1.00 0.00 C ATOM 747 C PHE A 63 3.196 -3.026 -5.216 1.00 0.00 C ATOM 748 O PHE A 63 4.410 -2.900 -5.416 1.00 0.00 O ATOM 749 CB PHE A 63 1.886 -2.957 -7.407 1.00 0.00 C ATOM 750 CG PHE A 63 0.713 -2.072 -7.180 1.00 0.00 C ATOM 751 CD1 PHE A 63 0.810 -0.944 -6.387 1.00 0.00 C ATOM 752 CD2 PHE A 63 -0.499 -2.383 -7.754 1.00 0.00 C ATOM 753 CE1 PHE A 63 -0.287 -0.158 -6.161 1.00 0.00 C ATOM 754 CE2 PHE A 63 -1.592 -1.596 -7.544 1.00 0.00 C ATOM 755 CZ PHE A 63 -1.486 -0.488 -6.743 1.00 0.00 C ATOM 0 H PHE A 63 0.327 -4.076 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 63 2.951 -4.573 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.727 -2.343 -7.731 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.654 -3.638 -8.226 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.759 -0.681 -5.943 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.585 -3.260 -8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.210 0.715 -5.530 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.536 -1.844 -8.006 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.354 0.131 -6.568 1.00 0.00 H new ATOM 765 N ILE A 64 2.595 -2.523 -4.151 1.00 0.00 N ATOM 766 CA ILE A 64 3.367 -1.830 -3.149 1.00 0.00 C ATOM 767 C ILE A 64 4.272 -2.850 -2.422 1.00 0.00 C ATOM 768 O ILE A 64 5.435 -2.574 -2.130 1.00 0.00 O ATOM 769 CB ILE A 64 2.452 -0.976 -2.185 1.00 0.00 C ATOM 770 CG1 ILE A 64 3.240 0.082 -1.375 1.00 0.00 C ATOM 771 CG2 ILE A 64 1.607 -1.831 -1.269 1.00 0.00 C ATOM 772 CD1 ILE A 64 4.133 -0.424 -0.237 1.00 0.00 C ATOM 0 H ILE A 64 1.594 -2.582 -3.965 1.00 0.00 H new ATOM 0 HA ILE A 64 4.016 -1.094 -3.623 1.00 0.00 H new ATOM 0 HB ILE A 64 1.776 -0.436 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.865 0.642 -2.070 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.523 0.786 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.000 -1.190 -0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.956 -2.470 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.255 -2.451 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.624 0.422 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.524 -0.954 0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.887 -1.100 -0.639 1.00 0.00 H new ATOM 784 N GLU A 65 3.758 -4.061 -2.232 1.00 0.00 N ATOM 785 CA GLU A 65 4.506 -5.127 -1.606 1.00 0.00 C ATOM 786 C GLU A 65 5.616 -5.601 -2.559 1.00 0.00 C ATOM 787 O GLU A 65 6.695 -5.996 -2.129 1.00 0.00 O ATOM 788 CB GLU A 65 3.557 -6.253 -1.251 1.00 0.00 C ATOM 789 CG GLU A 65 4.143 -7.377 -0.450 1.00 0.00 C ATOM 790 CD GLU A 65 3.096 -8.408 -0.158 1.00 0.00 C ATOM 791 OE1 GLU A 65 2.781 -9.210 -1.064 1.00 0.00 O ATOM 792 OE2 GLU A 65 2.536 -8.405 0.971 1.00 0.00 O ATOM 0 H GLU A 65 2.812 -4.323 -2.510 1.00 0.00 H new ATOM 0 HA GLU A 65 4.979 -4.776 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.719 -5.834 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.151 -6.665 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.968 -7.832 -0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.554 -6.992 0.483 1.00 0.00 H new ATOM 799 N GLY A 66 5.345 -5.517 -3.856 1.00 0.00 N ATOM 800 CA GLY A 66 6.341 -5.833 -4.863 1.00 0.00 C ATOM 801 C GLY A 66 7.465 -4.813 -4.850 1.00 0.00 C ATOM 802 O GLY A 66 8.642 -5.158 -5.010 1.00 0.00 O ATOM 0 H GLY A 66 4.441 -5.232 -4.232 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.746 -6.829 -4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.875 -5.854 -5.848 1.00 0.00 H new ATOM 806 N SER A 67 7.107 -3.558 -4.609 1.00 0.00 N ATOM 807 CA SER A 67 8.073 -2.496 -4.502 1.00 0.00 C ATOM 808 C SER A 67 8.864 -2.706 -3.212 1.00 0.00 C ATOM 809 O SER A 67 10.045 -2.415 -3.134 1.00 0.00 O ATOM 810 CB SER A 67 7.373 -1.122 -4.517 1.00 0.00 C ATOM 811 OG SER A 67 8.312 -0.053 -4.526 1.00 0.00 O ATOM 0 H SER A 67 6.140 -3.258 -4.484 1.00 0.00 H new ATOM 0 HA SER A 67 8.753 -2.514 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.731 -1.050 -5.395 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.728 -1.033 -3.643 1.00 0.00 H new ATOM 0 HG SER A 67 8.093 0.580 -3.811 1.00 0.00 H new ATOM 817 N ARG A 68 8.200 -3.245 -2.221 1.00 0.00 N ATOM 818 CA ARG A 68 8.837 -3.627 -0.977 1.00 0.00 C ATOM 819 C ARG A 68 9.854 -4.729 -1.224 1.00 0.00 C ATOM 820 O ARG A 68 10.985 -4.665 -0.735 1.00 0.00 O ATOM 821 CB ARG A 68 7.777 -3.983 0.081 1.00 0.00 C ATOM 822 CG ARG A 68 8.179 -5.028 1.115 1.00 0.00 C ATOM 823 CD ARG A 68 6.995 -5.379 2.007 1.00 0.00 C ATOM 824 NE ARG A 68 7.192 -6.638 2.741 1.00 0.00 N ATOM 825 CZ ARG A 68 6.318 -7.166 3.610 1.00 0.00 C ATOM 826 NH1 ARG A 68 5.273 -6.455 4.027 1.00 0.00 N ATOM 827 NH2 ARG A 68 6.518 -8.384 4.103 1.00 0.00 N ATOM 0 H ARG A 68 7.198 -3.434 -2.250 1.00 0.00 H new ATOM 0 HA ARG A 68 9.396 -2.784 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.499 -3.070 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.885 -4.338 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.542 -5.925 0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.000 -4.649 1.723 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.829 -4.570 2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.095 -5.456 1.396 1.00 0.00 H new ATOM 0 HE ARG A 68 8.060 -7.148 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.134 -5.504 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.611 -6.861 4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.338 -8.920 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.851 -8.783 4.764 1.00 0.00 H new ATOM 841 N GLY A 69 9.463 -5.689 -2.033 1.00 0.00 N ATOM 842 CA GLY A 69 10.359 -6.731 -2.440 1.00 0.00 C ATOM 843 C GLY A 69 11.506 -6.176 -3.263 1.00 0.00 C ATOM 844 O GLY A 69 12.584 -6.738 -3.279 1.00 0.00 O ATOM 0 H GLY A 69 8.522 -5.763 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.752 -7.241 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.816 -7.475 -3.023 1.00 0.00 H new ATOM 848 N TYR A 70 11.277 -5.030 -3.895 1.00 0.00 N ATOM 849 CA TYR A 70 12.289 -4.389 -4.735 1.00 0.00 C ATOM 850 C TYR A 70 13.370 -3.856 -3.834 1.00 0.00 C ATOM 851 O TYR A 70 14.547 -4.101 -4.038 1.00 0.00 O ATOM 852 CB TYR A 70 11.656 -3.255 -5.580 1.00 0.00 C ATOM 853 CG TYR A 70 12.595 -2.528 -6.538 1.00 0.00 C ATOM 854 CD1 TYR A 70 13.341 -1.421 -6.128 1.00 0.00 C ATOM 855 CD2 TYR A 70 12.713 -2.935 -7.862 1.00 0.00 C ATOM 856 CE1 TYR A 70 14.167 -0.755 -7.008 1.00 0.00 C ATOM 857 CE2 TYR A 70 13.546 -2.272 -8.745 1.00 0.00 C ATOM 858 CZ TYR A 70 14.271 -1.182 -8.310 1.00 0.00 C ATOM 859 OH TYR A 70 15.098 -0.507 -9.189 1.00 0.00 O ATOM 0 H TYR A 70 10.394 -4.521 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 70 12.714 -5.110 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.834 -3.676 -6.159 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.224 -2.521 -4.900 1.00 0.00 H new ATOM 0 HD1 TYR A 70 13.270 -1.081 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 70 12.143 -3.785 -8.208 1.00 0.00 H new ATOM 0 HE1 TYR A 70 14.732 0.102 -6.674 1.00 0.00 H new ATOM 0 HE2 TYR A 70 13.628 -2.606 -9.769 1.00 0.00 H new ATOM 0 HH TYR A 70 15.060 -0.936 -10.069 1.00 0.00 H new ATOM 869 N PHE A 71 12.936 -3.190 -2.787 1.00 0.00 N ATOM 870 CA PHE A 71 13.821 -2.609 -1.814 1.00 0.00 C ATOM 871 C PHE A 71 14.586 -3.698 -1.078 1.00 0.00 C ATOM 872 O PHE A 71 15.782 -3.573 -0.817 1.00 0.00 O ATOM 873 CB PHE A 71 13.056 -1.672 -0.875 1.00 0.00 C ATOM 874 CG PHE A 71 12.564 -0.426 -1.576 1.00 0.00 C ATOM 875 CD1 PHE A 71 13.462 0.446 -2.166 1.00 0.00 C ATOM 876 CD2 PHE A 71 11.218 -0.130 -1.646 1.00 0.00 C ATOM 877 CE1 PHE A 71 13.031 1.585 -2.814 1.00 0.00 C ATOM 878 CE2 PHE A 71 10.779 1.010 -2.295 1.00 0.00 C ATOM 879 CZ PHE A 71 11.687 1.868 -2.880 1.00 0.00 C ATOM 0 H PHE A 71 11.947 -3.037 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 71 14.562 -1.993 -2.323 1.00 0.00 H new ATOM 0 HB2 PHE A 71 12.206 -2.205 -0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.703 -1.387 -0.045 1.00 0.00 H new ATOM 0 HD1 PHE A 71 14.519 0.231 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.500 -0.795 -1.189 1.00 0.00 H new ATOM 0 HE1 PHE A 71 13.748 2.253 -3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.723 1.229 -2.344 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.344 2.758 -3.387 1.00 0.00 H new ATOM 889 N GLN A 72 13.880 -4.770 -0.781 1.00 0.00 N ATOM 890 CA GLN A 72 14.437 -5.966 -0.166 1.00 0.00 C ATOM 891 C GLN A 72 15.578 -6.540 -1.038 1.00 0.00 C ATOM 892 O GLN A 72 16.618 -6.983 -0.524 1.00 0.00 O ATOM 893 CB GLN A 72 13.316 -6.983 -0.017 1.00 0.00 C ATOM 894 CG GLN A 72 13.698 -8.271 0.653 1.00 0.00 C ATOM 895 CD GLN A 72 12.548 -9.257 0.670 1.00 0.00 C ATOM 896 OE1 GLN A 72 11.713 -9.271 -0.234 1.00 0.00 O ATOM 897 NE2 GLN A 72 12.484 -10.068 1.686 1.00 0.00 N ATOM 0 H GLN A 72 12.879 -4.839 -0.963 1.00 0.00 H new ATOM 0 HA GLN A 72 14.857 -5.726 0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.506 -6.525 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.922 -7.212 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.548 -8.713 0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.019 -8.068 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.195 -10.027 2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.723 -10.744 1.752 1.00 0.00 H new ATOM 906 N ARG A 73 15.374 -6.527 -2.346 1.00 0.00 N ATOM 907 CA ARG A 73 16.387 -6.972 -3.301 1.00 0.00 C ATOM 908 C ARG A 73 17.557 -6.016 -3.352 1.00 0.00 C ATOM 909 O ARG A 73 18.705 -6.430 -3.466 1.00 0.00 O ATOM 910 CB ARG A 73 15.799 -7.170 -4.700 1.00 0.00 C ATOM 911 CG ARG A 73 15.304 -8.575 -4.989 1.00 0.00 C ATOM 912 CD ARG A 73 14.274 -9.059 -3.999 1.00 0.00 C ATOM 913 NE ARG A 73 13.871 -10.437 -4.248 1.00 0.00 N ATOM 914 CZ ARG A 73 12.812 -11.030 -3.715 1.00 0.00 C ATOM 915 NH1 ARG A 73 11.974 -10.350 -2.935 1.00 0.00 N ATOM 916 NH2 ARG A 73 12.588 -12.303 -3.961 1.00 0.00 N ATOM 0 H ARG A 73 14.506 -6.210 -2.778 1.00 0.00 H new ATOM 0 HA ARG A 73 16.750 -7.938 -2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 73 14.971 -6.474 -4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.557 -6.908 -5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 73 14.876 -8.603 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 73 16.152 -9.260 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 73 14.677 -8.978 -2.990 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.397 -8.413 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 73 14.449 -10.989 -4.882 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.144 -9.363 -2.742 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.162 -10.816 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 73 13.227 -12.827 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.775 -12.766 -3.554 1.00 0.00 H new ATOM 930 N GLU A 74 17.276 -4.752 -3.249 1.00 0.00 N ATOM 931 CA GLU A 74 18.329 -3.751 -3.257 1.00 0.00 C ATOM 932 C GLU A 74 19.227 -3.889 -2.033 1.00 0.00 C ATOM 933 O GLU A 74 20.432 -3.664 -2.120 1.00 0.00 O ATOM 934 CB GLU A 74 17.773 -2.336 -3.385 1.00 0.00 C ATOM 935 CG GLU A 74 16.924 -2.106 -4.624 1.00 0.00 C ATOM 936 CD GLU A 74 17.676 -2.313 -5.920 1.00 0.00 C ATOM 937 OE1 GLU A 74 17.696 -3.446 -6.432 1.00 0.00 O ATOM 938 OE2 GLU A 74 18.235 -1.340 -6.465 1.00 0.00 O ATOM 0 H GLU A 74 16.331 -4.378 -3.158 1.00 0.00 H new ATOM 0 HA GLU A 74 18.940 -3.932 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.174 -2.113 -2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 74 18.604 -1.631 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.068 -2.781 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.530 -1.090 -4.601 1.00 0.00 H new ATOM 945 N LEU A 75 18.654 -4.335 -0.918 1.00 0.00 N ATOM 946 CA LEU A 75 19.411 -4.558 0.315 1.00 0.00 C ATOM 947 C LEU A 75 20.482 -5.646 0.152 1.00 0.00 C ATOM 948 O LEU A 75 21.467 -5.678 0.904 1.00 0.00 O ATOM 949 CB LEU A 75 18.473 -4.910 1.477 1.00 0.00 C ATOM 950 CG LEU A 75 17.508 -3.808 1.932 1.00 0.00 C ATOM 951 CD1 LEU A 75 16.569 -4.333 2.996 1.00 0.00 C ATOM 952 CD2 LEU A 75 18.275 -2.613 2.472 1.00 0.00 C ATOM 0 H LEU A 75 17.660 -4.551 -0.841 1.00 0.00 H new ATOM 0 HA LEU A 75 19.924 -3.623 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 75 17.885 -5.782 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 75 19.083 -5.204 2.331 1.00 0.00 H new ATOM 0 HG LEU A 75 16.925 -3.491 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 75 15.891 -3.538 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.992 -5.165 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 75 17.147 -4.674 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.572 -1.843 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 75 18.881 -2.924 3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 75 18.923 -2.214 1.692 1.00 0.00 H new ATOM 964 N LYS A 76 20.324 -6.506 -0.846 1.00 0.00 N ATOM 965 CA LYS A 76 21.273 -7.596 -1.049 1.00 0.00 C ATOM 966 C LYS A 76 22.097 -7.375 -2.308 1.00 0.00 C ATOM 967 O LYS A 76 23.054 -8.102 -2.576 1.00 0.00 O ATOM 968 CB LYS A 76 20.565 -8.949 -1.102 1.00 0.00 C ATOM 969 CG LYS A 76 19.469 -9.010 -2.145 1.00 0.00 C ATOM 970 CD LYS A 76 18.857 -10.378 -2.278 1.00 0.00 C ATOM 971 CE LYS A 76 19.844 -11.383 -2.858 1.00 0.00 C ATOM 972 NZ LYS A 76 19.221 -12.696 -3.079 1.00 0.00 N ATOM 0 H LYS A 76 19.559 -6.473 -1.520 1.00 0.00 H new ATOM 0 HA LYS A 76 21.949 -7.604 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 76 21.299 -9.728 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.138 -9.167 -0.123 1.00 0.00 H new ATOM 0 HG2 LYS A 76 18.689 -8.293 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 76 19.876 -8.705 -3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.519 -10.722 -1.300 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.976 -10.322 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.237 -11.004 -3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.691 -11.492 -2.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.925 -13.352 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.869 -13.070 -2.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.428 -12.596 -3.745 1.00 0.00 H new ATOM 986 N ARG A 77 21.730 -6.348 -3.055 1.00 0.00 N ATOM 987 CA ARG A 77 22.349 -6.019 -4.339 1.00 0.00 C ATOM 988 C ARG A 77 23.845 -5.747 -4.177 1.00 0.00 C ATOM 989 O ARG A 77 24.619 -5.957 -5.097 1.00 0.00 O ATOM 990 CB ARG A 77 21.660 -4.792 -4.926 1.00 0.00 C ATOM 991 CG ARG A 77 22.073 -4.440 -6.340 1.00 0.00 C ATOM 992 CD ARG A 77 21.286 -3.248 -6.841 1.00 0.00 C ATOM 993 NE ARG A 77 21.752 -2.780 -8.144 1.00 0.00 N ATOM 994 CZ ARG A 77 21.302 -1.676 -8.749 1.00 0.00 C ATOM 995 NH1 ARG A 77 20.221 -1.048 -8.288 1.00 0.00 N ATOM 996 NH2 ARG A 77 21.902 -1.233 -9.844 1.00 0.00 N ATOM 0 H ARG A 77 20.983 -5.707 -2.788 1.00 0.00 H new ATOM 0 HA ARG A 77 22.233 -6.869 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 77 20.583 -4.956 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 77 21.863 -3.937 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 77 23.140 -4.217 -6.369 1.00 0.00 H new ATOM 0 HG3 ARG A 77 21.908 -5.294 -6.997 1.00 0.00 H new ATOM 0 HD2 ARG A 77 20.232 -3.515 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 77 21.362 -2.436 -6.118 1.00 0.00 H new ATOM 0 HE ARG A 77 22.466 -3.330 -8.622 1.00 0.00 H new ATOM 0 HH11 ARG A 77 19.732 -1.409 -7.469 1.00 0.00 H new ATOM 0 HH12 ARG A 77 19.883 -0.206 -8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.705 -1.734 -10.224 1.00 0.00 H new ATOM 0 HH22 ARG A 77 21.561 -0.391 -10.307 1.00 0.00 H new ATOM 1010 N THR A 78 24.224 -5.270 -2.983 1.00 0.00 N ATOM 1011 CA THR A 78 25.615 -4.953 -2.616 1.00 0.00 C ATOM 1012 C THR A 78 26.075 -3.607 -3.278 1.00 0.00 C ATOM 1013 O THR A 78 27.147 -3.069 -2.991 1.00 0.00 O ATOM 1014 CB THR A 78 26.568 -6.149 -2.953 1.00 0.00 C ATOM 1015 OG1 THR A 78 25.950 -7.376 -2.488 1.00 0.00 O ATOM 1016 CG2 THR A 78 27.907 -6.006 -2.246 1.00 0.00 C ATOM 0 H THR A 78 23.561 -5.090 -2.229 1.00 0.00 H new ATOM 0 HA THR A 78 25.667 -4.806 -1.537 1.00 0.00 H new ATOM 0 HB THR A 78 26.734 -6.162 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 78 26.535 -8.135 -2.694 1.00 0.00 H new ATOM 0 HG21 THR A 78 28.545 -6.852 -2.501 1.00 0.00 H new ATOM 0 HG22 THR A 78 28.388 -5.080 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 78 27.749 -5.983 -1.168 1.00 0.00 H new ATOM 1024 N ASP A 79 25.207 -3.058 -4.114 1.00 0.00 N ATOM 1025 CA ASP A 79 25.412 -1.771 -4.797 1.00 0.00 C ATOM 1026 C ASP A 79 24.749 -0.663 -4.016 1.00 0.00 C ATOM 1027 O ASP A 79 24.195 0.259 -4.586 1.00 0.00 O ATOM 1028 CB ASP A 79 24.808 -1.795 -6.210 1.00 0.00 C ATOM 1029 CG ASP A 79 25.613 -2.565 -7.216 1.00 0.00 C ATOM 1030 OD1 ASP A 79 25.594 -3.800 -7.191 1.00 0.00 O ATOM 1031 OD2 ASP A 79 26.282 -1.937 -8.070 1.00 0.00 O ATOM 0 H ASP A 79 24.317 -3.498 -4.348 1.00 0.00 H new ATOM 0 HA ASP A 79 26.486 -1.598 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 79 23.808 -2.225 -6.157 1.00 0.00 H new ATOM 0 HB3 ASP A 79 24.696 -0.769 -6.561 1.00 0.00 H new ATOM 1036 N LEU A 80 24.824 -0.749 -2.727 1.00 0.00 N ATOM 1037 CA LEU A 80 24.229 0.212 -1.845 1.00 0.00 C ATOM 1038 C LEU A 80 25.144 0.408 -0.690 1.00 0.00 C ATOM 1039 O LEU A 80 25.941 -0.468 -0.341 1.00 0.00 O ATOM 1040 CB LEU A 80 22.853 -0.276 -1.310 1.00 0.00 C ATOM 1041 CG LEU A 80 22.868 -1.405 -0.261 1.00 0.00 C ATOM 1042 CD1 LEU A 80 21.516 -1.533 0.400 1.00 0.00 C ATOM 1043 CD2 LEU A 80 23.248 -2.734 -0.877 1.00 0.00 C ATOM 0 H LEU A 80 25.310 -1.504 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 80 24.071 1.139 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.335 0.580 -0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.259 -0.612 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 80 23.618 -1.141 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.546 -2.335 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.262 -0.595 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.763 -1.761 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.248 -3.505 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 80 22.528 -2.995 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.243 -2.660 -1.316 1.00 0.00 H new ATOM 1055 N ASP A 81 25.026 1.532 -0.136 1.00 0.00 N ATOM 1056 CA ASP A 81 25.702 1.913 1.056 1.00 0.00 C ATOM 1057 C ASP A 81 24.610 1.994 2.068 1.00 0.00 C ATOM 1058 O ASP A 81 23.429 1.809 1.692 1.00 0.00 O ATOM 1059 CB ASP A 81 26.389 3.302 0.859 1.00 0.00 C ATOM 1060 CG ASP A 81 27.047 3.870 2.116 1.00 0.00 C ATOM 1061 OD1 ASP A 81 28.196 3.515 2.424 1.00 0.00 O ATOM 1062 OD2 ASP A 81 26.400 4.672 2.826 1.00 0.00 O ATOM 0 H ASP A 81 24.425 2.267 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 81 26.490 1.219 1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 81 27.144 3.212 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 81 25.645 4.013 0.501 1.00 0.00 H new ATOM 1067 N LEU A 82 24.929 2.268 3.306 1.00 0.00 N ATOM 1068 CA LEU A 82 23.917 2.490 4.301 1.00 0.00 C ATOM 1069 C LEU A 82 23.001 3.620 3.834 1.00 0.00 C ATOM 1070 O LEU A 82 21.832 3.605 4.106 1.00 0.00 O ATOM 1071 CB LEU A 82 24.514 2.819 5.673 1.00 0.00 C ATOM 1072 CG LEU A 82 25.437 1.764 6.295 1.00 0.00 C ATOM 1073 CD1 LEU A 82 25.933 2.232 7.653 1.00 0.00 C ATOM 1074 CD2 LEU A 82 24.727 0.421 6.422 1.00 0.00 C ATOM 0 H LEU A 82 25.887 2.343 3.649 1.00 0.00 H new ATOM 0 HA LEU A 82 23.347 1.568 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.073 3.751 5.586 1.00 0.00 H new ATOM 0 HB3 LEU A 82 23.693 3.003 6.366 1.00 0.00 H new ATOM 0 HG LEU A 82 26.294 1.631 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.587 1.473 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 82 26.486 3.164 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.082 2.395 8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 82 25.405 -0.308 6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 82 23.848 0.533 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 82 24.420 0.077 5.434 1.00 0.00 H new ATOM 1086 N LEU A 83 23.564 4.562 3.071 1.00 0.00 N ATOM 1087 CA LEU A 83 22.822 5.701 2.503 1.00 0.00 C ATOM 1088 C LEU A 83 21.650 5.218 1.677 1.00 0.00 C ATOM 1089 O LEU A 83 20.513 5.653 1.861 1.00 0.00 O ATOM 1090 CB LEU A 83 23.790 6.454 1.554 1.00 0.00 C ATOM 1091 CG LEU A 83 23.395 7.871 1.009 1.00 0.00 C ATOM 1092 CD1 LEU A 83 22.287 7.826 -0.043 1.00 0.00 C ATOM 1093 CD2 LEU A 83 23.002 8.803 2.149 1.00 0.00 C ATOM 0 H LEU A 83 24.554 4.559 2.826 1.00 0.00 H new ATOM 0 HA LEU A 83 22.453 6.335 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.742 6.559 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 83 23.968 5.811 0.692 1.00 0.00 H new ATOM 0 HG LEU A 83 24.284 8.262 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 83 22.062 8.839 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 83 22.616 7.228 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.392 7.380 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 83 22.733 9.779 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 83 22.150 8.384 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 83 23.842 8.914 2.835 1.00 0.00 H new ATOM 1105 N GLU A 84 21.919 4.309 0.803 1.00 0.00 N ATOM 1106 CA GLU A 84 20.907 3.800 -0.048 1.00 0.00 C ATOM 1107 C GLU A 84 19.963 2.927 0.746 1.00 0.00 C ATOM 1108 O GLU A 84 18.745 3.010 0.593 1.00 0.00 O ATOM 1109 CB GLU A 84 21.511 3.133 -1.272 1.00 0.00 C ATOM 1110 CG GLU A 84 22.237 4.121 -2.173 1.00 0.00 C ATOM 1111 CD GLU A 84 22.759 3.510 -3.449 1.00 0.00 C ATOM 1112 OE1 GLU A 84 21.974 3.351 -4.406 1.00 0.00 O ATOM 1113 OE2 GLU A 84 23.981 3.238 -3.540 1.00 0.00 O ATOM 0 H GLU A 84 22.843 3.901 0.661 1.00 0.00 H new ATOM 0 HA GLU A 84 20.303 4.616 -0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 84 22.207 2.357 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.722 2.640 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 84 21.559 4.937 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 84 23.071 4.556 -1.622 1.00 0.00 H new ATOM 1120 N LYS A 85 20.545 2.183 1.675 1.00 0.00 N ATOM 1121 CA LYS A 85 19.833 1.324 2.587 1.00 0.00 C ATOM 1122 C LYS A 85 18.813 2.116 3.349 1.00 0.00 C ATOM 1123 O LYS A 85 17.696 1.688 3.468 1.00 0.00 O ATOM 1124 CB LYS A 85 20.808 0.638 3.556 1.00 0.00 C ATOM 1125 CG LYS A 85 20.158 -0.228 4.629 1.00 0.00 C ATOM 1126 CD LYS A 85 21.213 -0.880 5.506 1.00 0.00 C ATOM 1127 CE LYS A 85 20.603 -1.775 6.576 1.00 0.00 C ATOM 1128 NZ LYS A 85 19.838 -1.025 7.613 1.00 0.00 N ATOM 0 H LYS A 85 21.556 2.166 1.812 1.00 0.00 H new ATOM 0 HA LYS A 85 19.322 0.552 2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.493 0.018 2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 85 21.408 1.405 4.046 1.00 0.00 H new ATOM 0 HG2 LYS A 85 19.494 0.382 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 85 19.543 -0.996 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 85 21.886 -1.469 4.883 1.00 0.00 H new ATOM 0 HD3 LYS A 85 21.815 -0.106 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.941 -2.498 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 85 21.398 -2.342 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 19.299 -1.694 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.499 -0.493 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.182 -0.364 7.150 1.00 0.00 H new ATOM 1142 N PHE A 86 19.189 3.312 3.799 1.00 0.00 N ATOM 1143 CA PHE A 86 18.285 4.152 4.553 1.00 0.00 C ATOM 1144 C PHE A 86 17.029 4.503 3.780 1.00 0.00 C ATOM 1145 O PHE A 86 15.983 4.626 4.348 1.00 0.00 O ATOM 1146 CB PHE A 86 18.934 5.424 5.134 1.00 0.00 C ATOM 1147 CG PHE A 86 19.947 5.179 6.217 1.00 0.00 C ATOM 1148 CD1 PHE A 86 19.626 4.417 7.326 1.00 0.00 C ATOM 1149 CD2 PHE A 86 21.224 5.703 6.120 1.00 0.00 C ATOM 1150 CE1 PHE A 86 20.557 4.186 8.314 1.00 0.00 C ATOM 1151 CE2 PHE A 86 22.159 5.470 7.105 1.00 0.00 C ATOM 1152 CZ PHE A 86 21.824 4.711 8.204 1.00 0.00 C ATOM 0 H PHE A 86 20.115 3.713 3.650 1.00 0.00 H new ATOM 0 HA PHE A 86 18.002 3.533 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 86 19.415 5.972 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 86 18.148 6.067 5.530 1.00 0.00 H new ATOM 0 HD1 PHE A 86 18.635 3.999 7.418 1.00 0.00 H new ATOM 0 HD2 PHE A 86 21.491 6.302 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 86 20.292 3.592 9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 86 23.153 5.882 7.015 1.00 0.00 H new ATOM 0 HZ PHE A 86 22.554 4.528 8.978 1.00 0.00 H new ATOM 1162 N ASN A 87 17.157 4.629 2.488 1.00 0.00 N ATOM 1163 CA ASN A 87 16.058 4.975 1.610 1.00 0.00 C ATOM 1164 C ASN A 87 15.148 3.789 1.438 1.00 0.00 C ATOM 1165 O ASN A 87 13.933 3.919 1.445 1.00 0.00 O ATOM 1166 CB ASN A 87 16.558 5.463 0.235 1.00 0.00 C ATOM 1167 CG ASN A 87 17.152 6.869 0.246 1.00 0.00 C ATOM 1168 OD1 ASN A 87 16.442 7.855 0.022 1.00 0.00 O ATOM 1169 ND2 ASN A 87 18.436 6.987 0.498 1.00 0.00 N ATOM 0 H ASN A 87 18.042 4.493 2.000 1.00 0.00 H new ATOM 0 HA ASN A 87 15.507 5.795 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.311 4.766 -0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.728 5.437 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A 87 18.870 7.910 0.512 1.00 0.00 H new ATOM 0 HD22 ASN A 87 18.999 6.156 0.680 1.00 0.00 H new ATOM 1176 N PHE A 88 15.743 2.618 1.326 1.00 0.00 N ATOM 1177 CA PHE A 88 14.984 1.392 1.103 1.00 0.00 C ATOM 1178 C PHE A 88 14.295 1.023 2.373 1.00 0.00 C ATOM 1179 O PHE A 88 13.131 0.683 2.385 1.00 0.00 O ATOM 1180 CB PHE A 88 15.891 0.228 0.671 1.00 0.00 C ATOM 1181 CG PHE A 88 16.889 0.566 -0.380 1.00 0.00 C ATOM 1182 CD1 PHE A 88 16.613 1.492 -1.377 1.00 0.00 C ATOM 1183 CD2 PHE A 88 18.127 -0.024 -0.350 1.00 0.00 C ATOM 1184 CE1 PHE A 88 17.566 1.820 -2.300 1.00 0.00 C ATOM 1185 CE2 PHE A 88 19.072 0.294 -1.280 1.00 0.00 C ATOM 1186 CZ PHE A 88 18.795 1.214 -2.244 1.00 0.00 C ATOM 0 H PHE A 88 16.752 2.484 1.385 1.00 0.00 H new ATOM 0 HA PHE A 88 14.267 1.574 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 88 16.421 -0.145 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 88 15.264 -0.586 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.639 1.956 -1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 88 18.356 -0.748 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 88 17.353 2.550 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 88 20.040 -0.184 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 88 19.551 1.469 -2.972 1.00 0.00 H new ATOM 1196 N GLU A 89 15.026 1.165 3.433 1.00 0.00 N ATOM 1197 CA GLU A 89 14.588 0.891 4.749 1.00 0.00 C ATOM 1198 C GLU A 89 13.550 1.915 5.150 1.00 0.00 C ATOM 1199 O GLU A 89 12.595 1.602 5.875 1.00 0.00 O ATOM 1200 CB GLU A 89 15.813 0.844 5.659 1.00 0.00 C ATOM 1201 CG GLU A 89 15.567 0.708 7.129 1.00 0.00 C ATOM 1202 CD GLU A 89 16.795 0.209 7.832 1.00 0.00 C ATOM 1203 OE1 GLU A 89 17.868 0.823 7.711 1.00 0.00 O ATOM 1204 OE2 GLU A 89 16.717 -0.833 8.510 1.00 0.00 O ATOM 0 H GLU A 89 15.991 1.492 3.393 1.00 0.00 H new ATOM 0 HA GLU A 89 14.097 -0.079 4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.438 0.009 5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.391 1.754 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.272 1.672 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.739 0.020 7.301 1.00 0.00 H new ATOM 1211 N ALA A 90 13.695 3.139 4.630 1.00 0.00 N ATOM 1212 CA ALA A 90 12.688 4.166 4.929 1.00 0.00 C ATOM 1213 C ALA A 90 11.386 3.790 4.248 1.00 0.00 C ATOM 1214 O ALA A 90 10.291 3.911 4.814 1.00 0.00 O ATOM 1215 CB ALA A 90 13.127 5.557 4.487 1.00 0.00 C ATOM 0 H ALA A 90 14.462 3.436 4.027 1.00 0.00 H new ATOM 0 HA ALA A 90 12.556 4.205 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.348 6.279 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.048 5.829 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.300 5.559 3.411 1.00 0.00 H new ATOM 1221 N ALA A 91 11.523 3.294 3.044 1.00 0.00 N ATOM 1222 CA ALA A 91 10.409 2.860 2.242 1.00 0.00 C ATOM 1223 C ALA A 91 9.760 1.625 2.833 1.00 0.00 C ATOM 1224 O ALA A 91 8.552 1.532 2.872 1.00 0.00 O ATOM 1225 CB ALA A 91 10.865 2.604 0.822 1.00 0.00 C ATOM 0 H ALA A 91 12.427 3.179 2.587 1.00 0.00 H new ATOM 0 HA ALA A 91 9.659 3.651 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.017 2.276 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.275 3.522 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.632 1.830 0.820 1.00 0.00 H new ATOM 1231 N LEU A 92 10.567 0.695 3.313 1.00 0.00 N ATOM 1232 CA LEU A 92 10.059 -0.527 3.934 1.00 0.00 C ATOM 1233 C LEU A 92 9.161 -0.209 5.103 1.00 0.00 C ATOM 1234 O LEU A 92 8.091 -0.780 5.234 1.00 0.00 O ATOM 1235 CB LEU A 92 11.192 -1.462 4.376 1.00 0.00 C ATOM 1236 CG LEU A 92 12.062 -2.064 3.268 1.00 0.00 C ATOM 1237 CD1 LEU A 92 13.175 -2.899 3.868 1.00 0.00 C ATOM 1238 CD2 LEU A 92 11.225 -2.909 2.319 1.00 0.00 C ATOM 0 H LEU A 92 11.585 0.759 3.287 1.00 0.00 H new ATOM 0 HA LEU A 92 9.475 -1.047 3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.841 -0.911 5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.754 -2.281 4.947 1.00 0.00 H new ATOM 0 HG LEU A 92 12.502 -1.245 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.785 -3.320 3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.797 -2.272 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.745 -3.707 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.865 -3.325 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.754 -3.720 2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.455 -2.288 1.861 1.00 0.00 H new ATOM 1250 N ALA A 93 9.568 0.748 5.914 1.00 0.00 N ATOM 1251 CA ALA A 93 8.784 1.133 7.067 1.00 0.00 C ATOM 1252 C ALA A 93 7.519 1.839 6.630 1.00 0.00 C ATOM 1253 O ALA A 93 6.445 1.618 7.198 1.00 0.00 O ATOM 1254 CB ALA A 93 9.594 2.001 8.012 1.00 0.00 C ATOM 0 H ALA A 93 10.435 1.271 5.795 1.00 0.00 H new ATOM 0 HA ALA A 93 8.504 0.230 7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.980 2.276 8.870 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.469 1.448 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.915 2.903 7.492 1.00 0.00 H new ATOM 1260 N THR A 94 7.632 2.623 5.572 1.00 0.00 N ATOM 1261 CA THR A 94 6.523 3.370 5.076 1.00 0.00 C ATOM 1262 C THR A 94 5.479 2.420 4.478 1.00 0.00 C ATOM 1263 O THR A 94 4.275 2.497 4.795 1.00 0.00 O ATOM 1264 CB THR A 94 6.982 4.415 4.033 1.00 0.00 C ATOM 1265 OG1 THR A 94 7.974 5.276 4.634 1.00 0.00 O ATOM 1266 CG2 THR A 94 5.805 5.258 3.561 1.00 0.00 C ATOM 0 H THR A 94 8.496 2.750 5.045 1.00 0.00 H new ATOM 0 HA THR A 94 6.068 3.911 5.905 1.00 0.00 H new ATOM 0 HB THR A 94 7.404 3.894 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 94 8.866 4.895 4.494 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.150 5.987 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.055 4.612 3.105 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.366 5.779 4.412 1.00 0.00 H new ATOM 1274 N GLY A 95 5.971 1.485 3.692 1.00 0.00 N ATOM 1275 CA GLY A 95 5.150 0.547 3.023 1.00 0.00 C ATOM 1276 C GLY A 95 4.505 -0.395 3.969 1.00 0.00 C ATOM 1277 O GLY A 95 3.344 -0.686 3.829 1.00 0.00 O ATOM 0 H GLY A 95 6.968 1.369 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.383 1.075 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.749 -0.013 2.305 1.00 0.00 H new ATOM 1281 N ASP A 96 5.256 -0.841 4.958 1.00 0.00 N ATOM 1282 CA ASP A 96 4.758 -1.801 5.936 1.00 0.00 C ATOM 1283 C ASP A 96 3.575 -1.222 6.692 1.00 0.00 C ATOM 1284 O ASP A 96 2.559 -1.884 6.882 1.00 0.00 O ATOM 1285 CB ASP A 96 5.860 -2.183 6.917 1.00 0.00 C ATOM 1286 CG ASP A 96 5.492 -3.365 7.775 1.00 0.00 C ATOM 1287 OD1 ASP A 96 5.725 -4.524 7.354 1.00 0.00 O ATOM 1288 OD2 ASP A 96 4.978 -3.180 8.886 1.00 0.00 O ATOM 0 H ASP A 96 6.223 -0.553 5.109 1.00 0.00 H new ATOM 0 HA ASP A 96 4.434 -2.695 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.771 -2.411 6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.082 -1.330 7.558 1.00 0.00 H new ATOM 1293 N LEU A 97 3.689 0.041 7.061 1.00 0.00 N ATOM 1294 CA LEU A 97 2.640 0.730 7.796 1.00 0.00 C ATOM 1295 C LEU A 97 1.360 0.861 6.995 1.00 0.00 C ATOM 1296 O LEU A 97 0.274 0.531 7.489 1.00 0.00 O ATOM 1297 CB LEU A 97 3.125 2.079 8.291 1.00 0.00 C ATOM 1298 CG LEU A 97 4.227 2.008 9.332 1.00 0.00 C ATOM 1299 CD1 LEU A 97 4.703 3.393 9.716 1.00 0.00 C ATOM 1300 CD2 LEU A 97 3.741 1.234 10.549 1.00 0.00 C ATOM 0 H LEU A 97 4.507 0.617 6.862 1.00 0.00 H new ATOM 0 HA LEU A 97 2.399 0.115 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.484 2.657 7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.279 2.623 8.712 1.00 0.00 H new ATOM 0 HG LEU A 97 5.079 1.480 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.492 3.312 10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.089 3.903 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.870 3.963 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.537 1.187 11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.874 1.737 10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.463 0.223 10.250 1.00 0.00 H new ATOM 1312 N LEU A 98 1.471 1.310 5.763 1.00 0.00 N ATOM 1313 CA LEU A 98 0.296 1.431 4.913 1.00 0.00 C ATOM 1314 C LEU A 98 -0.218 0.049 4.525 1.00 0.00 C ATOM 1315 O LEU A 98 -1.383 -0.118 4.270 1.00 0.00 O ATOM 1316 CB LEU A 98 0.569 2.314 3.688 1.00 0.00 C ATOM 1317 CG LEU A 98 1.590 1.776 2.704 1.00 0.00 C ATOM 1318 CD1 LEU A 98 0.953 0.875 1.645 1.00 0.00 C ATOM 1319 CD2 LEU A 98 2.422 2.878 2.086 1.00 0.00 C ATOM 0 H LEU A 98 2.348 1.595 5.328 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.488 1.932 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.371 2.470 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.906 3.291 4.035 1.00 0.00 H new ATOM 0 HG LEU A 98 2.274 1.150 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.723 0.514 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.472 0.026 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.209 1.442 1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.139 2.445 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.770 3.571 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.957 3.413 2.870 1.00 0.00 H new ATOM 1331 N LEU A 99 0.681 -0.938 4.484 1.00 0.00 N ATOM 1332 CA LEU A 99 0.318 -2.303 4.178 1.00 0.00 C ATOM 1333 C LEU A 99 -0.522 -2.861 5.272 1.00 0.00 C ATOM 1334 O LEU A 99 -1.475 -3.601 5.019 1.00 0.00 O ATOM 1335 CB LEU A 99 1.540 -3.185 3.894 1.00 0.00 C ATOM 1336 CG LEU A 99 2.036 -3.205 2.447 1.00 0.00 C ATOM 1337 CD1 LEU A 99 3.350 -3.958 2.348 1.00 0.00 C ATOM 1338 CD2 LEU A 99 0.996 -3.871 1.560 1.00 0.00 C ATOM 0 H LEU A 99 1.676 -0.802 4.663 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.266 -2.296 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.359 -2.852 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.301 -4.207 4.189 1.00 0.00 H new ATOM 0 HG LEU A 99 2.195 -2.179 2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.689 -3.963 1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.098 -3.469 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.208 -4.984 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.351 -3.884 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.829 -4.893 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.061 -3.314 1.614 1.00 0.00 H new ATOM 1350 N LYS A 100 -0.192 -2.490 6.493 1.00 0.00 N ATOM 1351 CA LYS A 100 -1.012 -2.837 7.610 1.00 0.00 C ATOM 1352 C LYS A 100 -2.304 -2.096 7.517 1.00 0.00 C ATOM 1353 O LYS A 100 -3.354 -2.655 7.789 1.00 0.00 O ATOM 1354 CB LYS A 100 -0.372 -2.528 8.976 1.00 0.00 C ATOM 1355 CG LYS A 100 0.379 -3.663 9.668 1.00 0.00 C ATOM 1356 CD LYS A 100 1.633 -4.089 8.951 1.00 0.00 C ATOM 1357 CE LYS A 100 2.397 -5.101 9.787 1.00 0.00 C ATOM 1358 NZ LYS A 100 3.656 -5.501 9.150 1.00 0.00 N ATOM 0 H LYS A 100 0.641 -1.948 6.725 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.154 -3.917 7.561 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.320 -1.696 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.159 -2.185 9.648 1.00 0.00 H new ATOM 0 HG2 LYS A 100 0.638 -3.351 10.680 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.285 -4.522 9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.378 -4.523 7.984 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.261 -3.220 8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.606 -4.676 10.769 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.776 -5.982 9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.923 -6.452 9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.535 -5.510 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.404 -4.825 9.405 1.00 0.00 H new ATOM 1372 N ASP A 101 -2.239 -0.852 7.060 1.00 0.00 N ATOM 1373 CA ASP A 101 -3.436 -0.032 7.057 1.00 0.00 C ATOM 1374 C ASP A 101 -4.421 -0.537 6.013 1.00 0.00 C ATOM 1375 O ASP A 101 -5.627 -0.611 6.268 1.00 0.00 O ATOM 1376 CB ASP A 101 -3.121 1.456 6.878 1.00 0.00 C ATOM 1377 CG ASP A 101 -4.317 2.345 7.177 1.00 0.00 C ATOM 1378 OD1 ASP A 101 -4.789 2.352 8.340 1.00 0.00 O ATOM 1379 OD2 ASP A 101 -4.759 3.084 6.301 1.00 0.00 O ATOM 0 H ASP A 101 -1.398 -0.403 6.698 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.905 -0.123 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.295 1.731 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -2.788 1.633 5.855 1.00 0.00 H new ATOM 1384 N LEU A 102 -3.878 -0.965 4.875 1.00 0.00 N ATOM 1385 CA LEU A 102 -4.648 -1.543 3.786 1.00 0.00 C ATOM 1386 C LEU A 102 -5.374 -2.801 4.220 1.00 0.00 C ATOM 1387 O LEU A 102 -6.582 -2.905 4.039 1.00 0.00 O ATOM 1388 CB LEU A 102 -3.748 -1.845 2.570 1.00 0.00 C ATOM 1389 CG LEU A 102 -3.282 -0.640 1.735 1.00 0.00 C ATOM 1390 CD1 LEU A 102 -2.177 -1.050 0.771 1.00 0.00 C ATOM 1391 CD2 LEU A 102 -4.450 -0.079 0.935 1.00 0.00 C ATOM 0 H LEU A 102 -2.877 -0.917 4.685 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.394 -0.804 3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.864 -2.374 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.285 -2.527 1.911 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.900 0.119 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.861 -0.184 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.328 -1.438 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.549 -1.822 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.112 0.774 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -4.838 -0.849 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -5.238 0.240 1.617 1.00 0.00 H new ATOM 1403 N LYS A 103 -4.669 -3.746 4.832 1.00 0.00 N ATOM 1404 CA LYS A 103 -5.328 -4.972 5.245 1.00 0.00 C ATOM 1405 C LYS A 103 -6.248 -4.781 6.450 1.00 0.00 C ATOM 1406 O LYS A 103 -7.264 -5.467 6.575 1.00 0.00 O ATOM 1407 CB LYS A 103 -4.350 -6.129 5.413 1.00 0.00 C ATOM 1408 CG LYS A 103 -3.157 -5.819 6.280 1.00 0.00 C ATOM 1409 CD LYS A 103 -2.187 -6.986 6.357 1.00 0.00 C ATOM 1410 CE LYS A 103 -1.712 -7.488 4.977 1.00 0.00 C ATOM 1411 NZ LYS A 103 -1.114 -6.418 4.141 1.00 0.00 N ATOM 0 H LYS A 103 -3.673 -3.689 5.046 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.987 -5.253 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.882 -6.979 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.997 -6.436 4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.640 -4.944 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.496 -5.563 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.319 -6.687 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -2.664 -7.809 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.979 -8.282 5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.557 -7.926 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -1.716 -6.250 3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -1.040 -5.543 4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -0.166 -6.711 3.828 1.00 0.00 H new ATOM 1425 N ALA A 104 -5.926 -3.825 7.303 1.00 0.00 N ATOM 1426 CA ALA A 104 -6.736 -3.549 8.466 1.00 0.00 C ATOM 1427 C ALA A 104 -8.038 -2.899 8.048 1.00 0.00 C ATOM 1428 O ALA A 104 -9.120 -3.238 8.570 1.00 0.00 O ATOM 1429 CB ALA A 104 -5.986 -2.676 9.452 1.00 0.00 C ATOM 0 H ALA A 104 -5.105 -3.227 7.208 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.963 -4.491 8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.617 -2.482 10.319 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.077 -3.186 9.771 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.724 -1.731 8.976 1.00 0.00 H new ATOM 1435 N LEU A 105 -7.954 -1.990 7.077 1.00 0.00 N ATOM 1436 CA LEU A 105 -9.134 -1.320 6.588 1.00 0.00 C ATOM 1437 C LEU A 105 -9.938 -2.322 5.808 1.00 0.00 C ATOM 1438 O LEU A 105 -11.117 -2.288 5.815 1.00 0.00 O ATOM 1439 CB LEU A 105 -8.825 -0.050 5.746 1.00 0.00 C ATOM 1440 CG LEU A 105 -8.599 -0.231 4.234 1.00 0.00 C ATOM 1441 CD1 LEU A 105 -9.901 -0.092 3.444 1.00 0.00 C ATOM 1442 CD2 LEU A 105 -7.562 0.718 3.724 1.00 0.00 C ATOM 0 H LEU A 105 -7.084 -1.710 6.624 1.00 0.00 H new ATOM 0 HA LEU A 105 -9.703 -0.949 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.650 0.650 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.935 0.421 6.164 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.232 -1.246 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.698 -0.226 2.382 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.611 -0.849 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.323 0.899 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.425 0.566 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.885 1.743 3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.619 0.538 4.240 1.00 0.00 H new ATOM 1454 N GLN A 106 -9.242 -3.226 5.144 1.00 0.00 N ATOM 1455 CA GLN A 106 -9.840 -4.298 4.368 1.00 0.00 C ATOM 1456 C GLN A 106 -10.717 -5.138 5.253 1.00 0.00 C ATOM 1457 O GLN A 106 -11.845 -5.398 4.913 1.00 0.00 O ATOM 1458 CB GLN A 106 -8.714 -5.114 3.750 1.00 0.00 C ATOM 1459 CG GLN A 106 -9.091 -6.379 3.015 1.00 0.00 C ATOM 1460 CD GLN A 106 -7.856 -7.122 2.500 1.00 0.00 C ATOM 1461 OE1 GLN A 106 -7.842 -8.350 2.394 1.00 0.00 O ATOM 1462 NE2 GLN A 106 -6.808 -6.390 2.202 1.00 0.00 N ATOM 0 H GLN A 106 -8.222 -3.236 5.128 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.470 -3.902 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -8.174 -4.470 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.017 -5.382 4.544 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.658 -7.031 3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.744 -6.133 2.177 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.850 -5.376 2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.952 -6.836 1.872 1.00 0.00 H new ATOM 1471 N LYS A 107 -10.221 -5.501 6.401 1.00 0.00 N ATOM 1472 CA LYS A 107 -11.009 -6.248 7.356 1.00 0.00 C ATOM 1473 C LYS A 107 -12.162 -5.398 7.875 1.00 0.00 C ATOM 1474 O LYS A 107 -13.196 -5.908 8.140 1.00 0.00 O ATOM 1475 CB LYS A 107 -10.149 -6.755 8.517 1.00 0.00 C ATOM 1476 CG LYS A 107 -9.004 -7.678 8.115 1.00 0.00 C ATOM 1477 CD LYS A 107 -9.499 -8.957 7.460 1.00 0.00 C ATOM 1478 CE LYS A 107 -8.337 -9.870 7.106 1.00 0.00 C ATOM 1479 NZ LYS A 107 -8.777 -11.143 6.492 1.00 0.00 N ATOM 0 H LYS A 107 -9.270 -5.293 6.705 1.00 0.00 H new ATOM 0 HA LYS A 107 -11.418 -7.118 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.735 -5.896 9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.791 -7.283 9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.341 -7.153 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.415 -7.928 8.997 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.181 -9.475 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.063 -8.714 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.669 -9.351 6.418 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.762 -10.085 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.946 -11.727 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.393 -11.654 7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.302 -10.943 5.617 1.00 0.00 H new ATOM 1493 N ARG A 108 -11.952 -4.095 7.978 1.00 0.00 N ATOM 1494 CA ARG A 108 -12.966 -3.146 8.465 1.00 0.00 C ATOM 1495 C ARG A 108 -14.090 -3.046 7.454 1.00 0.00 C ATOM 1496 O ARG A 108 -15.266 -3.156 7.791 1.00 0.00 O ATOM 1497 CB ARG A 108 -12.343 -1.766 8.663 1.00 0.00 C ATOM 1498 CG ARG A 108 -13.253 -0.733 9.307 1.00 0.00 C ATOM 1499 CD ARG A 108 -12.602 0.634 9.251 1.00 0.00 C ATOM 1500 NE ARG A 108 -13.295 1.645 10.056 1.00 0.00 N ATOM 1501 CZ ARG A 108 -13.901 2.737 9.563 1.00 0.00 C ATOM 1502 NH1 ARG A 108 -14.265 2.785 8.283 1.00 0.00 N ATOM 1503 NH2 ARG A 108 -14.213 3.739 10.370 1.00 0.00 N ATOM 0 H ARG A 108 -11.068 -3.653 7.726 1.00 0.00 H new ATOM 0 HA ARG A 108 -13.356 -3.503 9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.449 -1.873 9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.020 -1.388 7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.213 -0.710 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -13.454 -1.008 10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.571 0.551 9.595 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -12.566 0.968 8.214 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.318 1.508 11.067 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -14.084 1.989 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.725 3.617 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.993 3.681 11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.673 4.569 9.997 1.00 0.00 H new ATOM 1517 N VAL A 109 -13.704 -2.856 6.215 1.00 0.00 N ATOM 1518 CA VAL A 109 -14.615 -2.739 5.113 1.00 0.00 C ATOM 1519 C VAL A 109 -15.315 -4.078 4.857 1.00 0.00 C ATOM 1520 O VAL A 109 -16.503 -4.141 4.495 1.00 0.00 O ATOM 1521 CB VAL A 109 -13.920 -2.182 3.846 1.00 0.00 C ATOM 1522 CG1 VAL A 109 -14.903 -2.030 2.713 1.00 0.00 C ATOM 1523 CG2 VAL A 109 -13.297 -0.838 4.156 1.00 0.00 C ATOM 0 H VAL A 109 -12.724 -2.777 5.944 1.00 0.00 H new ATOM 0 HA VAL A 109 -15.381 -2.011 5.378 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.147 -2.888 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.389 -1.637 1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.337 -3.001 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.695 -1.341 3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.809 -0.449 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.073 -0.143 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.560 -0.953 4.951 1.00 0.00 H new ATOM 1533 N GLN A 110 -14.567 -5.142 5.001 1.00 0.00 N ATOM 1534 CA GLN A 110 -15.110 -6.476 4.937 1.00 0.00 C ATOM 1535 C GLN A 110 -16.071 -6.717 6.113 1.00 0.00 C ATOM 1536 O GLN A 110 -17.098 -7.393 5.983 1.00 0.00 O ATOM 1537 CB GLN A 110 -13.965 -7.490 4.907 1.00 0.00 C ATOM 1538 CG GLN A 110 -14.363 -8.922 5.118 1.00 0.00 C ATOM 1539 CD GLN A 110 -13.282 -9.905 4.712 1.00 0.00 C ATOM 1540 OE1 GLN A 110 -13.572 -11.030 4.288 1.00 0.00 O ATOM 1541 NE2 GLN A 110 -12.049 -9.501 4.808 1.00 0.00 N ATOM 0 H GLN A 110 -13.561 -5.108 5.166 1.00 0.00 H new ATOM 0 HA GLN A 110 -15.690 -6.599 4.022 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.458 -7.410 3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.240 -7.216 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -14.608 -9.074 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.268 -9.130 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.845 -8.566 5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.287 -10.119 4.529 1.00 0.00 H new ATOM 1550 N ASP A 111 -15.761 -6.103 7.230 1.00 0.00 N ATOM 1551 CA ASP A 111 -16.539 -6.240 8.448 1.00 0.00 C ATOM 1552 C ASP A 111 -17.798 -5.375 8.412 1.00 0.00 C ATOM 1553 O ASP A 111 -18.754 -5.602 9.171 1.00 0.00 O ATOM 1554 CB ASP A 111 -15.690 -5.899 9.666 1.00 0.00 C ATOM 1555 CG ASP A 111 -16.356 -6.174 10.976 1.00 0.00 C ATOM 1556 OD1 ASP A 111 -16.284 -7.326 11.453 1.00 0.00 O ATOM 1557 OD2 ASP A 111 -16.906 -5.240 11.583 1.00 0.00 O ATOM 0 H ASP A 111 -14.954 -5.487 7.324 1.00 0.00 H new ATOM 0 HA ASP A 111 -16.856 -7.280 8.522 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.761 -6.467 9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -15.421 -4.844 9.623 1.00 0.00 H new ATOM 1562 N SER A 112 -17.803 -4.399 7.510 1.00 0.00 N ATOM 1563 CA SER A 112 -18.936 -3.504 7.321 1.00 0.00 C ATOM 1564 C SER A 112 -20.211 -4.297 6.955 1.00 0.00 C ATOM 1565 O SER A 112 -21.318 -3.858 7.218 1.00 0.00 O ATOM 1566 CB SER A 112 -18.608 -2.467 6.240 1.00 0.00 C ATOM 1567 OG SER A 112 -17.377 -1.804 6.528 1.00 0.00 O ATOM 0 H SER A 112 -17.018 -4.207 6.888 1.00 0.00 H new ATOM 0 HA SER A 112 -19.129 -2.983 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.544 -2.957 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.413 -1.735 6.176 1.00 0.00 H new ATOM 0 HG SER A 112 -16.807 -2.392 7.066 1.00 0.00 H new ATOM 1573 N GLU A 113 -20.030 -5.459 6.362 1.00 0.00 N ATOM 1574 CA GLU A 113 -21.128 -6.330 6.039 1.00 0.00 C ATOM 1575 C GLU A 113 -21.280 -7.342 7.155 1.00 0.00 C ATOM 1576 O GLU A 113 -20.555 -8.356 7.146 1.00 0.00 O ATOM 1577 CB GLU A 113 -20.870 -7.045 4.725 1.00 0.00 C ATOM 1578 CG GLU A 113 -20.787 -6.132 3.534 1.00 0.00 C ATOM 1579 CD GLU A 113 -20.353 -6.866 2.308 1.00 0.00 C ATOM 1580 OE1 GLU A 113 -19.140 -7.102 2.170 1.00 0.00 O ATOM 1581 OE2 GLU A 113 -21.192 -7.185 1.450 1.00 0.00 O ATOM 1582 OXT GLU A 113 -22.092 -7.123 8.061 1.00 0.00 O ATOM 0 H GLU A 113 -19.115 -5.821 6.093 1.00 0.00 H new ATOM 0 HA GLU A 113 -22.041 -5.745 5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -19.938 -7.605 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -21.665 -7.772 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -21.760 -5.673 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -20.086 -5.324 3.742 1.00 0.00 H new TER 1589 GLU A 113