USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 897 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 99 ASN : amide:sc= -0.205 K(o=-2,f=-8.5!) USER MOD Set 1.2: A 102 MET CE :methyl 171:sc= -1.78 (180deg=-2.25!) USER MOD Set 2.1: A 51 THR OG1 : rot 142:sc= 1.19 USER MOD Set 2.2: A 97 MET CE :methyl -153:sc= -0.506 (180deg=-1.74!) USER MOD Set 3.1: A 13 SER OG : rot 103:sc= 1.22 USER MOD Set 3.2: A 32 THR OG1 : rot 87:sc= 1.09 USER MOD Single : A 2 SER OG : rot 31:sc= 0.0634 USER MOD Single : A 3 HIS : no HD1:sc= -0.471 K(o=-0.47,f=-2.5) USER MOD Single : A 4 SER OG : rot 31:sc= 0.0812 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.425 K(o=0.42,f=-5.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.401 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -5.09! C(o=-5.1!,f=-5.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc=-0.00388 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -158:sc= -5.88! (180deg=-6.56!) USER MOD Single : A 59 MET CE :methyl -163:sc= -0.401 (180deg=-1.24) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= -0.127 (180deg=-0.579) USER MOD Single : A 71 LYS NZ :NH3+ 147:sc= -1.1 (180deg=-3.48!) USER MOD Single : A 73 LYS NZ :NH3+ 166:sc=-0.00498 (180deg=-0.177) USER MOD Single : A 75 ASN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0518) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 88 MET CE :methyl -128:sc= -1.82 (180deg=-7.26!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 93 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -150:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0211 K(o=-0.021,f=-1.4!) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 165:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -11.288 -4.475 11.637 1.00 0.00 N ATOM 18 CA SER A 2 -9.927 -4.232 12.103 1.00 0.00 C ATOM 19 C SER A 2 -9.000 -5.372 11.692 1.00 0.00 C ATOM 20 O SER A 2 -9.287 -6.541 11.948 1.00 0.00 O ATOM 21 CB SER A 2 -9.909 -4.067 13.623 1.00 0.00 C ATOM 22 OG SER A 2 -10.716 -2.975 14.028 1.00 0.00 O ATOM 0 HA SER A 2 -9.569 -3.312 11.640 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.266 -4.982 14.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.885 -3.912 13.963 1.00 0.00 H new ATOM 0 HG SER A 2 -11.460 -2.868 13.400 1.00 0.00 H new ATOM 28 N HIS A 3 -7.885 -5.022 11.058 1.00 0.00 N ATOM 29 CA HIS A 3 -6.912 -6.014 10.616 1.00 0.00 C ATOM 30 C HIS A 3 -7.516 -6.948 9.575 1.00 0.00 C ATOM 31 O HIS A 3 -7.173 -8.128 9.499 1.00 0.00 O ATOM 32 CB HIS A 3 -6.394 -6.809 11.813 1.00 0.00 C ATOM 33 CG HIS A 3 -5.925 -5.932 12.930 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.779 -5.385 13.863 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.688 -5.489 13.250 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.089 -4.640 14.707 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.816 -4.688 14.358 1.00 0.00 N ATOM 0 H HIS A 3 -7.633 -4.058 10.839 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.076 -5.491 10.151 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.185 -7.464 12.179 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.573 -7.450 11.491 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.770 -5.722 12.731 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.496 -4.086 15.540 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -4.052 -4.208 14.834 1.00 0.00 H new ATOM 46 N SER A 4 -8.410 -6.396 8.765 1.00 0.00 N ATOM 47 CA SER A 4 -9.068 -7.148 7.704 1.00 0.00 C ATOM 48 C SER A 4 -10.081 -6.277 6.979 1.00 0.00 C ATOM 49 O SER A 4 -10.931 -5.642 7.603 1.00 0.00 O ATOM 50 CB SER A 4 -9.764 -8.393 8.249 1.00 0.00 C ATOM 51 OG SER A 4 -10.674 -8.059 9.284 1.00 0.00 O ATOM 0 H SER A 4 -8.699 -5.419 8.824 1.00 0.00 H new ATOM 0 HA SER A 4 -8.295 -7.463 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.296 -8.898 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 4 -9.019 -9.093 8.628 1.00 0.00 H new ATOM 0 HG SER A 4 -11.040 -7.165 9.121 1.00 0.00 H new ATOM 57 N GLY A 5 -9.989 -6.257 5.658 1.00 0.00 N ATOM 58 CA GLY A 5 -10.906 -5.465 4.868 1.00 0.00 C ATOM 59 C GLY A 5 -10.898 -5.860 3.415 1.00 0.00 C ATOM 60 O GLY A 5 -9.893 -5.697 2.722 1.00 0.00 O ATOM 0 H GLY A 5 -9.295 -6.776 5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -11.914 -5.576 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -10.642 -4.411 4.957 1.00 0.00 H new ATOM 64 N ALA A 6 -12.024 -6.387 2.956 1.00 0.00 N ATOM 65 CA ALA A 6 -12.162 -6.820 1.575 1.00 0.00 C ATOM 66 C ALA A 6 -11.565 -5.800 0.608 1.00 0.00 C ATOM 67 O ALA A 6 -12.172 -4.771 0.313 1.00 0.00 O ATOM 68 CB ALA A 6 -13.618 -7.094 1.260 1.00 0.00 C ATOM 0 H ALA A 6 -12.859 -6.525 3.525 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.601 -7.746 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.711 -7.418 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -13.992 -7.877 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.200 -6.185 1.410 1.00 0.00 H new ATOM 74 N ALA A 7 -10.353 -6.094 0.143 1.00 0.00 N ATOM 75 CA ALA A 7 -9.639 -5.204 -0.772 1.00 0.00 C ATOM 76 C ALA A 7 -9.398 -5.858 -2.131 1.00 0.00 C ATOM 77 O ALA A 7 -9.327 -7.079 -2.239 1.00 0.00 O ATOM 78 CB ALA A 7 -8.307 -4.796 -0.156 1.00 0.00 C ATOM 0 H ALA A 7 -9.843 -6.944 0.385 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.262 -4.324 -0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.778 -4.133 -0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.485 -4.278 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.704 -5.685 0.028 1.00 0.00 H new ATOM 84 N ILE A 8 -9.250 -5.035 -3.167 1.00 0.00 N ATOM 85 CA ILE A 8 -8.993 -5.543 -4.509 1.00 0.00 C ATOM 86 C ILE A 8 -7.522 -5.399 -4.858 1.00 0.00 C ATOM 87 O ILE A 8 -6.949 -4.314 -4.762 1.00 0.00 O ATOM 88 CB ILE A 8 -9.859 -4.830 -5.576 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.225 -5.505 -5.661 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.191 -4.823 -6.948 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.358 -4.603 -5.265 1.00 0.00 C ATOM 0 H ILE A 8 -9.304 -4.018 -3.102 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.265 -6.599 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.977 -3.791 -5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.387 -5.855 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.228 -6.385 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.835 -4.312 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.235 -4.303 -6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.025 -5.849 -7.277 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.300 -5.145 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.218 -4.274 -4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.379 -3.735 -5.924 1.00 0.00 H new ATOM 103 N PHE A 9 -6.918 -6.503 -5.266 1.00 0.00 N ATOM 104 CA PHE A 9 -5.505 -6.497 -5.635 1.00 0.00 C ATOM 105 C PHE A 9 -5.322 -6.782 -7.121 1.00 0.00 C ATOM 106 O PHE A 9 -5.883 -7.738 -7.653 1.00 0.00 O ATOM 107 CB PHE A 9 -4.728 -7.521 -4.809 1.00 0.00 C ATOM 108 CG PHE A 9 -3.239 -7.339 -4.884 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.662 -6.115 -4.582 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.417 -8.389 -5.261 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.292 -5.943 -4.653 1.00 0.00 C ATOM 112 CE2 PHE A 9 -1.047 -8.222 -5.334 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.484 -6.998 -5.030 1.00 0.00 C ATOM 0 H PHE A 9 -7.377 -7.410 -5.351 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.113 -5.502 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.043 -7.452 -3.768 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.982 -8.523 -5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.290 -5.287 -4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.852 -9.348 -5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.854 -4.985 -4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.417 -9.048 -5.629 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.586 -6.866 -5.087 1.00 0.00 H new ATOM 123 N GLU A 10 -4.530 -5.945 -7.786 1.00 0.00 N ATOM 124 CA GLU A 10 -4.271 -6.108 -9.212 1.00 0.00 C ATOM 125 C GLU A 10 -5.570 -6.135 -10.003 1.00 0.00 C ATOM 126 O GLU A 10 -5.689 -6.860 -10.990 1.00 0.00 O ATOM 127 CB GLU A 10 -3.481 -7.394 -9.462 1.00 0.00 C ATOM 128 CG GLU A 10 -2.203 -7.487 -8.645 1.00 0.00 C ATOM 129 CD GLU A 10 -1.389 -8.722 -8.973 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.770 -9.822 -8.520 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.370 -8.591 -9.682 1.00 0.00 O ATOM 0 H GLU A 10 -4.057 -5.148 -7.360 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.682 -5.255 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.114 -8.251 -9.231 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.232 -7.458 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.597 -6.599 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.454 -7.493 -7.584 1.00 0.00 H new ATOM 138 N LYS A 11 -6.551 -5.353 -9.554 1.00 0.00 N ATOM 139 CA LYS A 11 -7.851 -5.299 -10.213 1.00 0.00 C ATOM 140 C LYS A 11 -8.672 -6.541 -9.873 1.00 0.00 C ATOM 141 O LYS A 11 -9.803 -6.694 -10.334 1.00 0.00 O ATOM 142 CB LYS A 11 -7.697 -5.172 -11.733 1.00 0.00 C ATOM 143 CG LYS A 11 -6.679 -4.125 -12.155 1.00 0.00 C ATOM 144 CD LYS A 11 -6.653 -3.950 -13.665 1.00 0.00 C ATOM 145 CE LYS A 11 -5.553 -2.995 -14.097 1.00 0.00 C ATOM 146 NZ LYS A 11 -6.045 -1.593 -14.204 1.00 0.00 N ATOM 0 H LYS A 11 -6.468 -4.749 -8.736 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.374 -4.415 -9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.403 -6.139 -12.142 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.665 -4.922 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.917 -3.173 -11.681 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.689 -4.416 -11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.503 -4.919 -14.142 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.618 -3.573 -14.005 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.733 -3.038 -13.381 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.153 -3.314 -15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.265 -0.973 -14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.811 -1.546 -14.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.404 -1.279 -13.280 1.00 0.00 H new ATOM 160 N VAL A 12 -8.102 -7.416 -9.046 1.00 0.00 N ATOM 161 CA VAL A 12 -8.786 -8.623 -8.629 1.00 0.00 C ATOM 162 C VAL A 12 -9.376 -8.419 -7.256 1.00 0.00 C ATOM 163 O VAL A 12 -8.930 -7.562 -6.496 1.00 0.00 O ATOM 164 CB VAL A 12 -7.851 -9.848 -8.621 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.486 -11.025 -7.890 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.516 -10.231 -10.042 1.00 0.00 C ATOM 0 H VAL A 12 -7.167 -7.305 -8.655 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.577 -8.823 -9.351 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.937 -9.584 -8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.801 -11.873 -7.902 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.695 -10.742 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.416 -11.302 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.855 -11.097 -10.039 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.433 -10.476 -10.579 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.018 -9.396 -10.536 1.00 0.00 H new ATOM 176 N SER A 13 -10.388 -9.193 -6.944 1.00 0.00 N ATOM 177 CA SER A 13 -11.042 -9.058 -5.655 1.00 0.00 C ATOM 178 C SER A 13 -10.561 -10.094 -4.649 1.00 0.00 C ATOM 179 O SER A 13 -10.175 -11.207 -5.008 1.00 0.00 O ATOM 180 CB SER A 13 -12.550 -9.139 -5.811 1.00 0.00 C ATOM 181 OG SER A 13 -12.957 -10.424 -6.247 1.00 0.00 O ATOM 0 H SER A 13 -10.776 -9.914 -7.552 1.00 0.00 H new ATOM 0 HA SER A 13 -10.773 -8.077 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.029 -8.908 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.884 -8.388 -6.527 1.00 0.00 H new ATOM 0 HG SER A 13 -13.317 -10.928 -5.488 1.00 0.00 H new ATOM 187 N GLY A 14 -10.590 -9.695 -3.386 1.00 0.00 N ATOM 188 CA GLY A 14 -10.163 -10.550 -2.300 1.00 0.00 C ATOM 189 C GLY A 14 -10.180 -9.788 -0.996 1.00 0.00 C ATOM 190 O GLY A 14 -10.528 -8.609 -0.977 1.00 0.00 O ATOM 0 H GLY A 14 -10.910 -8.772 -3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.820 -11.417 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.159 -10.925 -2.497 1.00 0.00 H new ATOM 194 N ILE A 15 -9.804 -10.432 0.099 1.00 0.00 N ATOM 195 CA ILE A 15 -9.788 -9.745 1.376 1.00 0.00 C ATOM 196 C ILE A 15 -8.365 -9.451 1.802 1.00 0.00 C ATOM 197 O ILE A 15 -7.456 -10.254 1.592 1.00 0.00 O ATOM 198 CB ILE A 15 -10.523 -10.525 2.499 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.036 -10.618 2.227 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.294 -9.852 3.851 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.470 -10.210 0.835 1.00 0.00 C ATOM 0 H ILE A 15 -9.512 -11.409 0.128 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.331 -8.812 1.228 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.112 -11.535 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.358 -11.644 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.558 -9.991 2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.816 -10.410 4.628 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.227 -9.833 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.676 -8.832 3.819 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.552 -10.312 0.747 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.187 -9.173 0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.984 -10.851 0.100 1.00 0.00 H new ATOM 213 N ILE A 16 -8.187 -8.292 2.407 1.00 0.00 N ATOM 214 CA ILE A 16 -6.884 -7.875 2.875 1.00 0.00 C ATOM 215 C ILE A 16 -6.860 -7.983 4.389 1.00 0.00 C ATOM 216 O ILE A 16 -7.647 -7.338 5.077 1.00 0.00 O ATOM 217 CB ILE A 16 -6.574 -6.421 2.426 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.419 -6.395 1.426 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.265 -5.512 3.603 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.136 -5.013 0.877 1.00 0.00 C ATOM 0 H ILE A 16 -8.934 -7.621 2.585 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.117 -8.520 2.445 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.473 -6.041 1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.520 -6.778 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.648 -7.067 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.055 -4.506 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.122 -5.483 4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.396 -5.894 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.305 -5.064 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.022 -4.636 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.877 -4.342 1.696 1.00 0.00 H new ATOM 232 N ALA A 17 -5.979 -8.823 4.901 1.00 0.00 N ATOM 233 CA ALA A 17 -5.887 -9.031 6.335 1.00 0.00 C ATOM 234 C ALA A 17 -4.506 -8.672 6.864 1.00 0.00 C ATOM 235 O ALA A 17 -3.487 -9.000 6.258 1.00 0.00 O ATOM 236 CB ALA A 17 -6.250 -10.469 6.669 1.00 0.00 C ATOM 0 H ALA A 17 -5.319 -9.370 4.348 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.597 -8.367 6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.180 -10.621 7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.269 -10.673 6.339 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.562 -11.145 6.161 1.00 0.00 H new ATOM 242 N ILE A 18 -4.490 -7.983 7.998 1.00 0.00 N ATOM 243 CA ILE A 18 -3.248 -7.554 8.622 1.00 0.00 C ATOM 244 C ILE A 18 -2.985 -8.328 9.912 1.00 0.00 C ATOM 245 O ILE A 18 -3.903 -8.593 10.687 1.00 0.00 O ATOM 246 CB ILE A 18 -3.287 -6.039 8.914 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.253 -5.255 7.601 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.137 -5.621 9.820 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.546 -3.781 7.765 1.00 0.00 C ATOM 0 H ILE A 18 -5.331 -7.708 8.506 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.435 -7.761 7.926 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.216 -5.814 9.438 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.271 -5.372 7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.979 -5.686 6.912 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.192 -4.549 10.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.205 -6.158 10.766 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.189 -5.857 9.337 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.504 -3.291 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.540 -3.653 8.193 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.805 -3.334 8.428 1.00 0.00 H new ATOM 261 N ASN A 19 -1.726 -8.688 10.131 1.00 0.00 N ATOM 262 CA ASN A 19 -1.341 -9.432 11.325 1.00 0.00 C ATOM 263 C ASN A 19 -0.131 -8.794 11.997 1.00 0.00 C ATOM 264 O ASN A 19 0.976 -8.819 11.459 1.00 0.00 O ATOM 265 CB ASN A 19 -1.033 -10.887 10.968 1.00 0.00 C ATOM 266 CG ASN A 19 -0.953 -11.778 12.192 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.107 -11.315 13.322 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.710 -13.065 11.972 1.00 0.00 N ATOM 0 H ASN A 19 -0.954 -8.477 9.498 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.177 -9.406 12.024 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.804 -11.265 10.297 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.088 -10.933 10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.644 -13.713 12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.589 -13.405 11.018 1.00 0.00 H new ATOM 275 N GLU A 20 -0.349 -8.224 13.179 1.00 0.00 N ATOM 276 CA GLU A 20 0.727 -7.581 13.926 1.00 0.00 C ATOM 277 C GLU A 20 1.398 -8.561 14.885 1.00 0.00 C ATOM 278 O GLU A 20 2.254 -8.173 15.681 1.00 0.00 O ATOM 279 CB GLU A 20 0.190 -6.375 14.698 1.00 0.00 C ATOM 280 CG GLU A 20 -0.418 -5.304 13.808 1.00 0.00 C ATOM 281 CD GLU A 20 -0.870 -4.084 14.587 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.918 -4.157 15.834 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.178 -3.053 13.951 1.00 0.00 O ATOM 0 H GLU A 20 -1.259 -8.194 13.639 1.00 0.00 H new ATOM 0 HA GLU A 20 1.475 -7.242 13.210 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.563 -6.715 15.409 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.001 -5.936 15.279 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.314 -5.001 13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.269 -5.723 13.271 1.00 0.00 H new ATOM 290 N ASP A 21 1.016 -9.832 14.800 1.00 0.00 N ATOM 291 CA ASP A 21 1.594 -10.860 15.653 1.00 0.00 C ATOM 292 C ASP A 21 2.954 -11.292 15.115 1.00 0.00 C ATOM 293 O ASP A 21 3.756 -11.894 15.831 1.00 0.00 O ATOM 294 CB ASP A 21 0.660 -12.068 15.732 1.00 0.00 C ATOM 295 CG ASP A 21 1.107 -13.079 16.770 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.972 -12.735 17.602 1.00 0.00 O ATOM 297 OD2 ASP A 21 0.590 -14.216 16.751 1.00 0.00 O ATOM 0 H ASP A 21 0.309 -10.172 14.149 1.00 0.00 H new ATOM 0 HA ASP A 21 1.725 -10.446 16.653 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.348 -11.729 15.970 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.612 -12.551 14.756 1.00 0.00 H new ATOM 302 N VAL A 22 3.205 -10.981 13.846 1.00 0.00 N ATOM 303 CA VAL A 22 4.458 -11.331 13.204 1.00 0.00 C ATOM 304 C VAL A 22 5.374 -10.117 13.101 1.00 0.00 C ATOM 305 O VAL A 22 4.911 -8.996 12.893 1.00 0.00 O ATOM 306 CB VAL A 22 4.231 -11.907 11.791 1.00 0.00 C ATOM 307 CG1 VAL A 22 4.212 -13.428 11.828 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.948 -11.367 11.173 1.00 0.00 C ATOM 0 H VAL A 22 2.549 -10.484 13.243 1.00 0.00 H new ATOM 0 HA VAL A 22 4.928 -12.093 13.825 1.00 0.00 H new ATOM 0 HB VAL A 22 5.063 -11.588 11.163 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.051 -13.814 10.822 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.165 -13.795 12.209 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.406 -13.766 12.480 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.817 -11.792 10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.099 -11.641 11.799 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.009 -10.281 11.099 1.00 0.00 H new ATOM 318 N SER A 23 6.674 -10.344 13.250 1.00 0.00 N ATOM 319 CA SER A 23 7.647 -9.264 13.171 1.00 0.00 C ATOM 320 C SER A 23 8.590 -9.462 11.981 1.00 0.00 C ATOM 321 O SER A 23 9.310 -10.459 11.917 1.00 0.00 O ATOM 322 CB SER A 23 8.451 -9.186 14.466 1.00 0.00 C ATOM 323 OG SER A 23 7.613 -8.891 15.570 1.00 0.00 O ATOM 0 H SER A 23 7.077 -11.264 13.426 1.00 0.00 H new ATOM 0 HA SER A 23 7.106 -8.329 13.028 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.963 -10.133 14.637 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.220 -8.419 14.374 1.00 0.00 H new ATOM 0 HG SER A 23 8.152 -8.848 16.387 1.00 0.00 H new ATOM 329 N PRO A 24 8.604 -8.516 11.021 1.00 0.00 N ATOM 330 CA PRO A 24 7.770 -7.318 11.050 1.00 0.00 C ATOM 331 C PRO A 24 6.353 -7.601 10.570 1.00 0.00 C ATOM 332 O PRO A 24 6.155 -8.322 9.591 1.00 0.00 O ATOM 333 CB PRO A 24 8.481 -6.349 10.088 1.00 0.00 C ATOM 334 CG PRO A 24 9.659 -7.089 9.530 1.00 0.00 C ATOM 335 CD PRO A 24 9.439 -8.547 9.819 1.00 0.00 C ATOM 0 HA PRO A 24 7.662 -6.922 12.060 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.809 -6.032 9.290 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.802 -5.448 10.612 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.749 -6.918 8.457 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.585 -6.741 9.987 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.940 -9.053 8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.379 -9.071 9.992 1.00 0.00 H new ATOM 343 N ALA A 25 5.367 -7.034 11.264 1.00 0.00 N ATOM 344 CA ALA A 25 3.962 -7.228 10.905 1.00 0.00 C ATOM 345 C ALA A 25 3.763 -7.130 9.395 1.00 0.00 C ATOM 346 O ALA A 25 4.386 -6.302 8.732 1.00 0.00 O ATOM 347 CB ALA A 25 3.088 -6.213 11.623 1.00 0.00 C ATOM 0 H ALA A 25 5.515 -6.437 12.078 1.00 0.00 H new ATOM 0 HA ALA A 25 3.667 -8.229 11.219 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.046 -6.370 11.346 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.199 -6.335 12.700 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.391 -5.206 11.338 1.00 0.00 H new ATOM 353 N GLU A 26 2.905 -7.988 8.855 1.00 0.00 N ATOM 354 CA GLU A 26 2.650 -7.998 7.420 1.00 0.00 C ATOM 355 C GLU A 26 1.157 -8.030 7.110 1.00 0.00 C ATOM 356 O GLU A 26 0.330 -8.290 7.983 1.00 0.00 O ATOM 357 CB GLU A 26 3.337 -9.202 6.772 1.00 0.00 C ATOM 358 CG GLU A 26 4.805 -9.335 7.139 1.00 0.00 C ATOM 359 CD GLU A 26 5.498 -10.451 6.382 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.795 -11.262 5.743 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.745 -10.515 6.429 1.00 0.00 O ATOM 0 H GLU A 26 2.377 -8.681 9.385 1.00 0.00 H new ATOM 0 HA GLU A 26 3.059 -7.075 7.008 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.813 -10.111 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.248 -9.121 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.313 -8.393 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.892 -9.519 8.210 1.00 0.00 H new ATOM 368 N LEU A 27 0.831 -7.772 5.848 1.00 0.00 N ATOM 369 CA LEU A 27 -0.549 -7.776 5.384 1.00 0.00 C ATOM 370 C LEU A 27 -0.715 -8.800 4.268 1.00 0.00 C ATOM 371 O LEU A 27 0.084 -8.839 3.331 1.00 0.00 O ATOM 372 CB LEU A 27 -0.945 -6.383 4.889 1.00 0.00 C ATOM 373 CG LEU A 27 -2.289 -6.305 4.161 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.891 -4.914 4.303 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.121 -6.670 2.693 1.00 0.00 C ATOM 0 H LEU A 27 1.514 -7.555 5.122 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.202 -8.047 6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.973 -5.706 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.166 -6.018 4.219 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.972 -7.022 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.846 -4.876 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.046 -4.691 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.212 -4.178 3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.086 -6.609 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.423 -5.977 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.733 -7.685 2.613 1.00 0.00 H new ATOM 387 N THR A 28 -1.737 -9.640 4.376 1.00 0.00 N ATOM 388 CA THR A 28 -1.971 -10.672 3.375 1.00 0.00 C ATOM 389 C THR A 28 -3.322 -10.505 2.685 1.00 0.00 C ATOM 390 O THR A 28 -4.365 -10.441 3.337 1.00 0.00 O ATOM 391 CB THR A 28 -1.888 -12.056 4.018 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.655 -12.222 4.695 1.00 0.00 O ATOM 393 CG2 THR A 28 -2.019 -13.188 3.021 1.00 0.00 C ATOM 0 H THR A 28 -2.412 -9.627 5.141 1.00 0.00 H new ATOM 0 HA THR A 28 -1.195 -10.571 2.616 1.00 0.00 H new ATOM 0 HB THR A 28 -2.728 -12.103 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.622 -13.113 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.951 -14.142 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.982 -13.118 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.218 -13.119 2.285 1.00 0.00 H new ATOM 401 N TRP A 29 -3.288 -10.457 1.358 1.00 0.00 N ATOM 402 CA TRP A 29 -4.484 -10.325 0.554 1.00 0.00 C ATOM 403 C TRP A 29 -4.885 -11.685 -0.002 1.00 0.00 C ATOM 404 O TRP A 29 -4.067 -12.383 -0.602 1.00 0.00 O ATOM 405 CB TRP A 29 -4.233 -9.355 -0.599 1.00 0.00 C ATOM 406 CG TRP A 29 -5.387 -9.255 -1.540 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.566 -8.631 -1.299 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.479 -9.807 -2.856 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.393 -8.742 -2.389 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.748 -9.464 -3.361 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.613 -10.553 -3.659 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.171 -9.842 -4.633 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -5.033 -10.929 -4.921 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.301 -10.574 -5.396 1.00 0.00 C ATOM 0 H TRP A 29 -2.426 -10.509 0.815 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.289 -9.938 1.179 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.015 -8.367 -0.194 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.349 -9.676 -1.150 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.818 -8.120 -0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.332 -8.352 -2.464 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.633 -10.831 -3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.148 -9.568 -5.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.372 -11.506 -5.551 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.600 -10.884 -6.386 1.00 0.00 H new ATOM 425 N ARG A 30 -6.139 -12.061 0.201 1.00 0.00 N ATOM 426 CA ARG A 30 -6.628 -13.346 -0.286 1.00 0.00 C ATOM 427 C ARG A 30 -7.861 -13.166 -1.163 1.00 0.00 C ATOM 428 O ARG A 30 -8.888 -12.664 -0.711 1.00 0.00 O ATOM 429 CB ARG A 30 -6.943 -14.272 0.889 1.00 0.00 C ATOM 430 CG ARG A 30 -6.838 -15.750 0.545 1.00 0.00 C ATOM 431 CD ARG A 30 -8.135 -16.283 -0.042 1.00 0.00 C ATOM 432 NE ARG A 30 -8.774 -17.260 0.837 1.00 0.00 N ATOM 433 CZ ARG A 30 -9.890 -17.917 0.529 1.00 0.00 C ATOM 434 NH1 ARG A 30 -10.492 -17.706 -0.636 1.00 0.00 N ATOM 435 NH2 ARG A 30 -10.404 -18.787 1.385 1.00 0.00 N ATOM 0 H ARG A 30 -6.833 -11.501 0.696 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.844 -13.799 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.261 -14.049 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.951 -14.061 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.027 -15.901 -0.167 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.585 -16.315 1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.820 -15.454 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.933 -16.743 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.339 -17.450 1.740 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.099 -17.038 -1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.347 -18.212 -0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.945 -18.954 2.280 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.259 -19.290 1.149 1.00 0.00 H new ATOM 449 N SER A 31 -7.749 -13.580 -2.423 1.00 0.00 N ATOM 450 CA SER A 31 -8.851 -13.466 -3.374 1.00 0.00 C ATOM 451 C SER A 31 -10.168 -13.927 -2.755 1.00 0.00 C ATOM 452 O SER A 31 -10.181 -14.549 -1.693 1.00 0.00 O ATOM 453 CB SER A 31 -8.553 -14.289 -4.629 1.00 0.00 C ATOM 454 OG SER A 31 -9.668 -14.308 -5.504 1.00 0.00 O ATOM 0 H SER A 31 -6.903 -13.999 -2.810 1.00 0.00 H new ATOM 0 HA SER A 31 -8.950 -12.415 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.689 -13.871 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.292 -15.309 -4.345 1.00 0.00 H new ATOM 0 HG SER A 31 -9.451 -14.839 -6.299 1.00 0.00 H new ATOM 460 N THR A 32 -11.273 -13.625 -3.427 1.00 0.00 N ATOM 461 CA THR A 32 -12.587 -14.015 -2.945 1.00 0.00 C ATOM 462 C THR A 32 -12.800 -15.497 -3.181 1.00 0.00 C ATOM 463 O THR A 32 -13.308 -16.218 -2.323 1.00 0.00 O ATOM 464 CB THR A 32 -13.677 -13.207 -3.653 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.108 -12.286 -4.567 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.551 -12.423 -2.701 1.00 0.00 C ATOM 0 H THR A 32 -11.282 -13.111 -4.308 1.00 0.00 H new ATOM 0 HA THR A 32 -12.645 -13.811 -1.876 1.00 0.00 H new ATOM 0 HB THR A 32 -14.293 -13.944 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.971 -12.726 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.303 -11.873 -3.267 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.045 -13.108 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.936 -11.722 -2.137 1.00 0.00 H new ATOM 474 N ASP A 33 -12.394 -15.937 -4.359 1.00 0.00 N ATOM 475 CA ASP A 33 -12.517 -17.327 -4.742 1.00 0.00 C ATOM 476 C ASP A 33 -11.327 -18.143 -4.241 1.00 0.00 C ATOM 477 O ASP A 33 -11.388 -19.370 -4.176 1.00 0.00 O ATOM 478 CB ASP A 33 -12.637 -17.454 -6.263 1.00 0.00 C ATOM 479 CG ASP A 33 -13.912 -16.831 -6.796 1.00 0.00 C ATOM 480 OD1 ASP A 33 -14.841 -16.596 -5.994 1.00 0.00 O ATOM 481 OD2 ASP A 33 -13.983 -16.577 -8.017 1.00 0.00 O ATOM 0 H ASP A 33 -11.972 -15.342 -5.072 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.422 -17.722 -4.280 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.778 -16.976 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.607 -18.508 -6.540 1.00 0.00 H new ATOM 486 N GLY A 34 -10.243 -17.453 -3.892 1.00 0.00 N ATOM 487 CA GLY A 34 -9.057 -18.131 -3.406 1.00 0.00 C ATOM 488 C GLY A 34 -8.140 -18.566 -4.531 1.00 0.00 C ATOM 489 O GLY A 34 -7.488 -19.607 -4.444 1.00 0.00 O ATOM 0 H GLY A 34 -10.167 -16.437 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.513 -17.469 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.353 -19.004 -2.824 1.00 0.00 H new ATOM 493 N ASP A 35 -8.094 -17.769 -5.594 1.00 0.00 N ATOM 494 CA ASP A 35 -7.254 -18.079 -6.745 1.00 0.00 C ATOM 495 C ASP A 35 -5.940 -17.303 -6.706 1.00 0.00 C ATOM 496 O ASP A 35 -4.957 -17.703 -7.329 1.00 0.00 O ATOM 497 CB ASP A 35 -8.001 -17.772 -8.044 1.00 0.00 C ATOM 498 CG ASP A 35 -9.211 -18.665 -8.242 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.296 -19.709 -7.563 1.00 0.00 O ATOM 500 OD2 ASP A 35 -10.073 -18.320 -9.077 1.00 0.00 O ATOM 0 H ASP A 35 -8.628 -16.905 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.019 -19.143 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.320 -16.730 -8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.322 -17.893 -8.888 1.00 0.00 H new ATOM 505 N LYS A 36 -5.928 -16.196 -5.974 1.00 0.00 N ATOM 506 CA LYS A 36 -4.729 -15.371 -5.865 1.00 0.00 C ATOM 507 C LYS A 36 -4.513 -14.890 -4.433 1.00 0.00 C ATOM 508 O LYS A 36 -5.467 -14.587 -3.715 1.00 0.00 O ATOM 509 CB LYS A 36 -4.820 -14.171 -6.807 1.00 0.00 C ATOM 510 CG LYS A 36 -3.936 -14.299 -8.037 1.00 0.00 C ATOM 511 CD LYS A 36 -4.758 -14.334 -9.316 1.00 0.00 C ATOM 512 CE LYS A 36 -4.588 -13.056 -10.124 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.536 -13.327 -11.587 1.00 0.00 N ATOM 0 H LYS A 36 -6.731 -15.849 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.877 -15.988 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.855 -14.046 -7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.542 -13.269 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.240 -13.461 -8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.338 -15.207 -7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.457 -15.190 -9.920 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.811 -14.472 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.414 -12.378 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.673 -12.551 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.420 -12.431 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.732 -13.953 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.420 -13.786 -11.887 1.00 0.00 H new ATOM 527 N VAL A 37 -3.249 -14.811 -4.032 1.00 0.00 N ATOM 528 CA VAL A 37 -2.891 -14.355 -2.693 1.00 0.00 C ATOM 529 C VAL A 37 -1.669 -13.444 -2.741 1.00 0.00 C ATOM 530 O VAL A 37 -0.761 -13.653 -3.545 1.00 0.00 O ATOM 531 CB VAL A 37 -2.604 -15.538 -1.748 1.00 0.00 C ATOM 532 CG1 VAL A 37 -2.337 -15.042 -0.335 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.760 -16.527 -1.764 1.00 0.00 C ATOM 0 H VAL A 37 -2.451 -15.058 -4.618 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.745 -13.799 -2.306 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.711 -16.052 -2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.137 -15.892 0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.473 -14.377 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.209 -14.501 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.539 -17.355 -1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.671 -16.027 -1.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.898 -16.908 -2.776 1.00 0.00 H new ATOM 543 N HIS A 38 -1.651 -12.431 -1.880 1.00 0.00 N ATOM 544 CA HIS A 38 -0.536 -11.490 -1.833 1.00 0.00 C ATOM 545 C HIS A 38 -0.139 -11.170 -0.399 1.00 0.00 C ATOM 546 O HIS A 38 -0.981 -11.118 0.495 1.00 0.00 O ATOM 547 CB HIS A 38 -0.888 -10.199 -2.568 1.00 0.00 C ATOM 548 CG HIS A 38 0.306 -9.365 -2.917 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.286 -9.781 -3.794 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.676 -8.131 -2.501 1.00 0.00 C ATOM 551 CE1 HIS A 38 2.206 -8.839 -3.903 1.00 0.00 C ATOM 552 NE2 HIS A 38 1.859 -7.827 -3.129 1.00 0.00 N ATOM 0 H HIS A 38 -2.393 -12.241 -1.207 1.00 0.00 H new ATOM 0 HA HIS A 38 0.311 -11.965 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.428 -10.446 -3.482 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.564 -9.610 -1.948 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.141 -7.503 -1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.091 -8.888 -4.520 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.384 -6.960 -3.016 1.00 0.00 H new ATOM 561 N THR A 39 1.152 -10.956 -0.191 1.00 0.00 N ATOM 562 CA THR A 39 1.677 -10.635 1.133 1.00 0.00 C ATOM 563 C THR A 39 2.551 -9.384 1.081 1.00 0.00 C ATOM 564 O THR A 39 3.349 -9.212 0.159 1.00 0.00 O ATOM 565 CB THR A 39 2.480 -11.812 1.685 1.00 0.00 C ATOM 566 OG1 THR A 39 1.719 -13.005 1.641 1.00 0.00 O ATOM 567 CG2 THR A 39 2.933 -11.609 3.116 1.00 0.00 C ATOM 0 H THR A 39 1.860 -10.999 -0.924 1.00 0.00 H new ATOM 0 HA THR A 39 0.834 -10.440 1.795 1.00 0.00 H new ATOM 0 HB THR A 39 3.361 -11.883 1.048 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.252 -13.746 1.997 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.497 -12.481 3.446 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.566 -10.723 3.175 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.062 -11.476 3.758 1.00 0.00 H new ATOM 575 N VAL A 40 2.395 -8.513 2.074 1.00 0.00 N ATOM 576 CA VAL A 40 3.170 -7.278 2.136 1.00 0.00 C ATOM 577 C VAL A 40 3.693 -7.013 3.540 1.00 0.00 C ATOM 578 O VAL A 40 2.988 -7.215 4.527 1.00 0.00 O ATOM 579 CB VAL A 40 2.339 -6.054 1.703 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.156 -4.773 1.845 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.834 -6.220 0.278 1.00 0.00 C ATOM 0 H VAL A 40 1.740 -8.639 2.846 1.00 0.00 H new ATOM 0 HA VAL A 40 4.004 -7.418 1.448 1.00 0.00 H new ATOM 0 HB VAL A 40 1.472 -5.980 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.552 -3.920 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.456 -4.646 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.044 -4.837 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.250 -5.344 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.682 -6.325 -0.399 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.207 -7.110 0.215 1.00 0.00 H new ATOM 591 N VAL A 41 4.921 -6.519 3.616 1.00 0.00 N ATOM 592 CA VAL A 41 5.520 -6.180 4.896 1.00 0.00 C ATOM 593 C VAL A 41 5.054 -4.785 5.306 1.00 0.00 C ATOM 594 O VAL A 41 5.315 -3.803 4.610 1.00 0.00 O ATOM 595 CB VAL A 41 7.064 -6.232 4.823 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.561 -5.556 3.556 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.706 -5.618 6.065 1.00 0.00 C ATOM 0 H VAL A 41 5.519 -6.345 2.808 1.00 0.00 H new ATOM 0 HA VAL A 41 5.203 -6.910 5.640 1.00 0.00 H new ATOM 0 HB VAL A 41 7.362 -7.280 4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.649 -5.602 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.149 -6.066 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.242 -4.514 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.791 -5.672 5.978 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.401 -4.575 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.385 -6.167 6.950 1.00 0.00 H new ATOM 607 N LEU A 42 4.342 -4.711 6.422 1.00 0.00 N ATOM 608 CA LEU A 42 3.811 -3.444 6.909 1.00 0.00 C ATOM 609 C LEU A 42 4.892 -2.572 7.546 1.00 0.00 C ATOM 610 O LEU A 42 4.841 -1.345 7.463 1.00 0.00 O ATOM 611 CB LEU A 42 2.685 -3.701 7.910 1.00 0.00 C ATOM 612 CG LEU A 42 1.518 -4.526 7.367 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.478 -4.762 8.450 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.892 -3.832 6.164 1.00 0.00 C ATOM 0 H LEU A 42 4.118 -5.515 7.009 1.00 0.00 H new ATOM 0 HA LEU A 42 3.420 -2.900 6.049 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.100 -4.213 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.302 -2.742 8.258 1.00 0.00 H new ATOM 0 HG LEU A 42 1.901 -5.495 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.344 -5.351 8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.934 -5.301 9.281 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.097 -3.804 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.063 -4.432 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.524 -2.850 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.640 -3.717 5.380 1.00 0.00 H new ATOM 626 N SER A 43 5.856 -3.212 8.200 1.00 0.00 N ATOM 627 CA SER A 43 6.938 -2.495 8.872 1.00 0.00 C ATOM 628 C SER A 43 7.612 -1.480 7.955 1.00 0.00 C ATOM 629 O SER A 43 8.204 -0.507 8.423 1.00 0.00 O ATOM 630 CB SER A 43 7.975 -3.483 9.404 1.00 0.00 C ATOM 631 OG SER A 43 9.137 -2.810 9.855 1.00 0.00 O ATOM 0 H SER A 43 5.911 -4.227 8.280 1.00 0.00 H new ATOM 0 HA SER A 43 6.495 -1.946 9.703 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.545 -4.061 10.222 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.243 -4.191 8.620 1.00 0.00 H new ATOM 0 HG SER A 43 9.784 -3.464 10.192 1.00 0.00 H new ATOM 637 N THR A 44 7.527 -1.710 6.654 1.00 0.00 N ATOM 638 CA THR A 44 8.141 -0.808 5.680 1.00 0.00 C ATOM 639 C THR A 44 7.208 0.347 5.336 1.00 0.00 C ATOM 640 O THR A 44 7.652 1.406 4.898 1.00 0.00 O ATOM 641 CB THR A 44 8.530 -1.560 4.402 1.00 0.00 C ATOM 642 OG1 THR A 44 7.561 -1.371 3.384 1.00 0.00 O ATOM 643 CG2 THR A 44 8.688 -3.050 4.604 1.00 0.00 C ATOM 0 H THR A 44 7.042 -2.509 6.245 1.00 0.00 H new ATOM 0 HA THR A 44 9.044 -0.403 6.137 1.00 0.00 H new ATOM 0 HB THR A 44 9.494 -1.141 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.833 -1.859 2.579 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.964 -3.518 3.659 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.468 -3.236 5.342 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.747 -3.471 4.957 1.00 0.00 H new ATOM 651 N ILE A 45 5.914 0.132 5.530 1.00 0.00 N ATOM 652 CA ILE A 45 4.917 1.156 5.232 1.00 0.00 C ATOM 653 C ILE A 45 5.324 2.511 5.807 1.00 0.00 C ATOM 654 O ILE A 45 5.182 2.760 7.004 1.00 0.00 O ATOM 655 CB ILE A 45 3.527 0.763 5.772 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.072 -0.545 5.127 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.513 1.868 5.509 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.857 -0.437 3.633 1.00 0.00 C ATOM 0 H ILE A 45 5.529 -0.740 5.892 1.00 0.00 H new ATOM 0 HA ILE A 45 4.861 1.236 4.146 1.00 0.00 H new ATOM 0 HB ILE A 45 3.598 0.621 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.816 -1.317 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.144 -0.870 5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.540 1.569 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.836 2.784 6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.436 2.043 4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.535 -1.402 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.091 0.311 3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.790 -0.143 3.152 1.00 0.00 H new ATOM 670 N ASP A 46 5.839 3.377 4.940 1.00 0.00 N ATOM 671 CA ASP A 46 6.278 4.704 5.348 1.00 0.00 C ATOM 672 C ASP A 46 5.187 5.747 5.121 1.00 0.00 C ATOM 673 O ASP A 46 5.212 6.818 5.730 1.00 0.00 O ATOM 674 CB ASP A 46 7.541 5.101 4.582 1.00 0.00 C ATOM 675 CG ASP A 46 8.264 6.269 5.224 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.047 6.035 6.168 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.046 7.417 4.784 1.00 0.00 O ATOM 0 H ASP A 46 5.962 3.181 3.947 1.00 0.00 H new ATOM 0 HA ASP A 46 6.497 4.668 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.214 4.245 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.275 5.361 3.558 1.00 0.00 H new ATOM 682 N LYS A 47 4.230 5.443 4.246 1.00 0.00 N ATOM 683 CA LYS A 47 3.151 6.379 3.959 1.00 0.00 C ATOM 684 C LYS A 47 1.896 5.651 3.497 1.00 0.00 C ATOM 685 O LYS A 47 1.966 4.703 2.715 1.00 0.00 O ATOM 686 CB LYS A 47 3.590 7.392 2.898 1.00 0.00 C ATOM 687 CG LYS A 47 4.679 8.338 3.376 1.00 0.00 C ATOM 688 CD LYS A 47 4.878 9.494 2.409 1.00 0.00 C ATOM 689 CE LYS A 47 5.412 9.014 1.069 1.00 0.00 C ATOM 690 NZ LYS A 47 5.304 10.064 0.019 1.00 0.00 N ATOM 0 H LYS A 47 4.181 4.565 3.730 1.00 0.00 H new ATOM 0 HA LYS A 47 2.916 6.909 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.947 6.854 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.725 7.976 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.418 8.727 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.615 7.790 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.931 10.012 2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.571 10.216 2.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.455 8.717 1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.860 8.128 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.679 9.697 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.306 10.330 -0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.852 10.900 0.306 1.00 0.00 H new ATOM 704 N LEU A 48 0.747 6.104 3.986 1.00 0.00 N ATOM 705 CA LEU A 48 -0.528 5.501 3.626 1.00 0.00 C ATOM 706 C LEU A 48 -1.339 6.435 2.735 1.00 0.00 C ATOM 707 O LEU A 48 -1.609 7.579 3.100 1.00 0.00 O ATOM 708 CB LEU A 48 -1.330 5.161 4.883 1.00 0.00 C ATOM 709 CG LEU A 48 -0.834 3.941 5.658 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.364 3.966 7.082 1.00 0.00 C ATOM 711 CD2 LEU A 48 -1.250 2.658 4.954 1.00 0.00 C ATOM 0 H LEU A 48 0.674 6.888 4.634 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.322 4.584 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.317 6.024 5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.369 4.994 4.598 1.00 0.00 H new ATOM 0 HG LEU A 48 0.255 3.974 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.002 3.090 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.017 4.870 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.454 3.956 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.889 1.799 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.337 2.616 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.823 2.638 3.951 1.00 0.00 H new ATOM 723 N GLN A 49 -1.728 5.935 1.569 1.00 0.00 N ATOM 724 CA GLN A 49 -2.515 6.719 0.627 1.00 0.00 C ATOM 725 C GLN A 49 -3.938 6.179 0.545 1.00 0.00 C ATOM 726 O GLN A 49 -4.148 4.977 0.382 1.00 0.00 O ATOM 727 CB GLN A 49 -1.863 6.697 -0.757 1.00 0.00 C ATOM 728 CG GLN A 49 -0.942 7.880 -1.014 1.00 0.00 C ATOM 729 CD GLN A 49 -0.431 7.922 -2.440 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.480 7.180 -2.808 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.017 8.793 -3.253 1.00 0.00 N ATOM 0 H GLN A 49 -1.511 4.990 1.253 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.552 7.749 0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.294 5.774 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.644 6.683 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.476 8.805 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.095 7.832 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.769 9.389 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.716 8.866 -4.225 1.00 0.00 H new ATOM 740 N ALA A 50 -4.913 7.071 0.666 1.00 0.00 N ATOM 741 CA ALA A 50 -6.315 6.678 0.611 1.00 0.00 C ATOM 742 C ALA A 50 -7.162 7.759 -0.048 1.00 0.00 C ATOM 743 O ALA A 50 -6.970 8.950 0.199 1.00 0.00 O ATOM 744 CB ALA A 50 -6.830 6.378 2.011 1.00 0.00 C ATOM 0 H ALA A 50 -4.759 8.070 0.803 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.393 5.775 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.879 6.085 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.248 5.566 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.733 7.268 2.633 1.00 0.00 H new ATOM 750 N THR A 51 -8.101 7.336 -0.886 1.00 0.00 N ATOM 751 CA THR A 51 -8.980 8.269 -1.581 1.00 0.00 C ATOM 752 C THR A 51 -10.047 8.812 -0.629 1.00 0.00 C ATOM 753 O THR A 51 -10.666 8.052 0.116 1.00 0.00 O ATOM 754 CB THR A 51 -9.642 7.585 -2.778 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.408 6.470 -2.357 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.650 7.096 -3.813 1.00 0.00 C ATOM 0 H THR A 51 -8.273 6.354 -1.101 1.00 0.00 H new ATOM 0 HA THR A 51 -8.379 9.104 -1.942 1.00 0.00 H new ATOM 0 HB THR A 51 -10.272 8.348 -3.235 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.231 6.420 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.186 6.621 -4.635 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.076 7.940 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.973 6.374 -3.356 1.00 0.00 H new ATOM 764 N PRO A 52 -10.276 10.138 -0.636 1.00 0.00 N ATOM 765 CA PRO A 52 -11.271 10.773 0.236 1.00 0.00 C ATOM 766 C PRO A 52 -12.679 10.233 0.003 1.00 0.00 C ATOM 767 O PRO A 52 -13.021 9.820 -1.105 1.00 0.00 O ATOM 768 CB PRO A 52 -11.198 12.260 -0.141 1.00 0.00 C ATOM 769 CG PRO A 52 -10.520 12.296 -1.468 1.00 0.00 C ATOM 770 CD PRO A 52 -9.585 11.122 -1.486 1.00 0.00 C ATOM 0 HA PRO A 52 -11.062 10.580 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.193 12.701 -0.196 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.638 12.827 0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.245 12.230 -2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.976 13.231 -1.603 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.430 10.745 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.604 11.381 -1.088 1.00 0.00 H new ATOM 778 N ALA A 53 -13.489 10.239 1.056 1.00 0.00 N ATOM 779 CA ALA A 53 -14.860 9.750 0.970 1.00 0.00 C ATOM 780 C ALA A 53 -15.671 10.561 -0.034 1.00 0.00 C ATOM 781 O ALA A 53 -16.447 10.006 -0.812 1.00 0.00 O ATOM 782 CB ALA A 53 -15.520 9.791 2.340 1.00 0.00 C ATOM 0 H ALA A 53 -13.220 10.577 1.980 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.830 8.717 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.543 9.423 2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.960 9.162 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.530 10.817 2.708 1.00 0.00 H new ATOM 788 N SER A 54 -15.484 11.877 -0.015 1.00 0.00 N ATOM 789 CA SER A 54 -16.198 12.762 -0.929 1.00 0.00 C ATOM 790 C SER A 54 -15.899 12.401 -2.378 1.00 0.00 C ATOM 791 O SER A 54 -16.706 12.654 -3.273 1.00 0.00 O ATOM 792 CB SER A 54 -15.816 14.221 -0.664 1.00 0.00 C ATOM 793 OG SER A 54 -14.464 14.466 -1.011 1.00 0.00 O ATOM 0 H SER A 54 -14.845 12.353 0.622 1.00 0.00 H new ATOM 0 HA SER A 54 -17.267 12.637 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.467 14.880 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.973 14.456 0.389 1.00 0.00 H new ATOM 0 HG SER A 54 -14.246 15.405 -0.834 1.00 0.00 H new ATOM 799 N SER A 55 -14.736 11.803 -2.600 1.00 0.00 N ATOM 800 CA SER A 55 -14.321 11.399 -3.930 1.00 0.00 C ATOM 801 C SER A 55 -14.828 10.003 -4.255 1.00 0.00 C ATOM 802 O SER A 55 -14.474 9.030 -3.589 1.00 0.00 O ATOM 803 CB SER A 55 -12.797 11.440 -4.047 1.00 0.00 C ATOM 804 OG SER A 55 -12.374 11.071 -5.348 1.00 0.00 O ATOM 0 H SER A 55 -14.061 11.587 -1.867 1.00 0.00 H new ATOM 0 HA SER A 55 -14.752 12.099 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.439 12.443 -3.816 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.355 10.766 -3.313 1.00 0.00 H new ATOM 0 HG SER A 55 -11.396 11.107 -5.396 1.00 0.00 H new ATOM 810 N GLU A 56 -15.647 9.907 -5.296 1.00 0.00 N ATOM 811 CA GLU A 56 -16.190 8.624 -5.721 1.00 0.00 C ATOM 812 C GLU A 56 -15.061 7.649 -6.042 1.00 0.00 C ATOM 813 O GLU A 56 -15.269 6.436 -6.092 1.00 0.00 O ATOM 814 CB GLU A 56 -17.085 8.806 -6.947 1.00 0.00 C ATOM 815 CG GLU A 56 -18.312 9.665 -6.681 1.00 0.00 C ATOM 816 CD GLU A 56 -19.215 9.077 -5.614 1.00 0.00 C ATOM 817 OE1 GLU A 56 -19.087 7.869 -5.327 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.051 9.826 -5.066 1.00 0.00 O ATOM 0 H GLU A 56 -15.949 10.701 -5.860 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.787 8.216 -4.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.502 9.258 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.407 7.826 -7.301 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.994 10.661 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.877 9.782 -7.606 1.00 0.00 H new ATOM 825 N LYS A 57 -13.865 8.190 -6.260 1.00 0.00 N ATOM 826 CA LYS A 57 -12.701 7.370 -6.575 1.00 0.00 C ATOM 827 C LYS A 57 -12.324 6.480 -5.395 1.00 0.00 C ATOM 828 O LYS A 57 -11.846 6.962 -4.367 1.00 0.00 O ATOM 829 CB LYS A 57 -11.515 8.257 -6.960 1.00 0.00 C ATOM 830 CG LYS A 57 -11.776 9.121 -8.183 1.00 0.00 C ATOM 831 CD LYS A 57 -12.003 8.275 -9.425 1.00 0.00 C ATOM 832 CE LYS A 57 -11.980 9.121 -10.687 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.975 8.649 -11.691 1.00 0.00 N ATOM 0 H LYS A 57 -13.678 9.192 -6.224 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.957 6.731 -7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.264 8.901 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.646 7.626 -7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.648 9.750 -8.006 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.930 9.788 -8.346 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.234 7.505 -9.488 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.962 7.762 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.187 10.160 -10.431 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.982 9.093 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.928 9.252 -12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.762 7.666 -11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.930 8.699 -11.283 1.00 0.00 H new ATOM 847 N MET A 58 -12.542 5.179 -5.552 1.00 0.00 N ATOM 848 CA MET A 58 -12.226 4.214 -4.505 1.00 0.00 C ATOM 849 C MET A 58 -10.837 3.624 -4.726 1.00 0.00 C ATOM 850 O MET A 58 -10.554 3.074 -5.791 1.00 0.00 O ATOM 851 CB MET A 58 -13.267 3.090 -4.488 1.00 0.00 C ATOM 852 CG MET A 58 -14.690 3.563 -4.743 1.00 0.00 C ATOM 853 SD MET A 58 -15.504 4.153 -3.248 1.00 0.00 S ATOM 854 CE MET A 58 -15.508 2.657 -2.265 1.00 0.00 C ATOM 0 H MET A 58 -12.938 4.767 -6.397 1.00 0.00 H new ATOM 0 HA MET A 58 -12.242 4.731 -3.546 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.000 2.350 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.229 2.588 -3.521 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.676 4.362 -5.484 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.270 2.744 -5.169 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.288 2.722 -1.507 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.699 1.799 -2.909 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.539 2.538 -1.780 1.00 0.00 H new ATOM 864 N MET A 59 -9.968 3.740 -3.724 1.00 0.00 N ATOM 865 CA MET A 59 -8.612 3.213 -3.842 1.00 0.00 C ATOM 866 C MET A 59 -7.814 3.395 -2.554 1.00 0.00 C ATOM 867 O MET A 59 -8.147 4.226 -1.709 1.00 0.00 O ATOM 868 CB MET A 59 -7.884 3.899 -4.998 1.00 0.00 C ATOM 869 CG MET A 59 -6.849 3.017 -5.678 1.00 0.00 C ATOM 870 SD MET A 59 -5.985 3.869 -7.012 1.00 0.00 S ATOM 871 CE MET A 59 -7.350 4.705 -7.816 1.00 0.00 C ATOM 0 H MET A 59 -10.176 4.189 -2.832 1.00 0.00 H new ATOM 0 HA MET A 59 -8.693 2.143 -4.036 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.617 4.220 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.393 4.798 -4.624 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.124 2.677 -4.939 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.339 2.128 -6.076 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.046 5.022 -8.814 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.198 4.025 -7.894 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.638 5.578 -7.230 1.00 0.00 H new ATOM 881 N LEU A 60 -6.748 2.609 -2.426 1.00 0.00 N ATOM 882 CA LEU A 60 -5.870 2.664 -1.263 1.00 0.00 C ATOM 883 C LEU A 60 -4.443 2.315 -1.674 1.00 0.00 C ATOM 884 O LEU A 60 -4.199 1.258 -2.256 1.00 0.00 O ATOM 885 CB LEU A 60 -6.353 1.695 -0.182 1.00 0.00 C ATOM 886 CG LEU A 60 -5.658 1.836 1.174 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.381 2.855 2.042 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.586 0.489 1.878 1.00 0.00 C ATOM 0 H LEU A 60 -6.470 1.919 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.890 3.676 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.424 1.838 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.212 0.675 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.641 2.191 1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.872 2.941 3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.381 3.824 1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.409 2.531 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.089 0.608 2.841 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.594 0.106 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.023 -0.213 1.263 1.00 0.00 H new ATOM 900 N ARG A 61 -3.504 3.211 -1.390 1.00 0.00 N ATOM 901 CA ARG A 61 -2.108 2.989 -1.758 1.00 0.00 C ATOM 902 C ARG A 61 -1.201 2.891 -0.533 1.00 0.00 C ATOM 903 O ARG A 61 -1.309 3.681 0.403 1.00 0.00 O ATOM 904 CB ARG A 61 -1.621 4.116 -2.671 1.00 0.00 C ATOM 905 CG ARG A 61 -1.662 3.764 -4.150 1.00 0.00 C ATOM 906 CD ARG A 61 -1.360 4.976 -5.017 1.00 0.00 C ATOM 907 NE ARG A 61 -1.200 4.617 -6.424 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.598 5.392 -7.323 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.099 6.570 -6.967 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.491 4.989 -8.582 1.00 0.00 N ATOM 0 H ARG A 61 -3.681 4.093 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.058 2.037 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.234 5.001 -2.500 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.599 4.378 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.938 2.976 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.645 3.369 -4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.166 5.703 -4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.450 5.459 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.571 3.720 -6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.176 6.885 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.361 7.160 -7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.870 4.084 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.029 5.584 -9.270 1.00 0.00 H new ATOM 924 N LEU A 62 -0.290 1.920 -0.564 1.00 0.00 N ATOM 925 CA LEU A 62 0.663 1.711 0.521 1.00 0.00 C ATOM 926 C LEU A 62 2.069 2.056 0.049 1.00 0.00 C ATOM 927 O LEU A 62 2.501 1.616 -1.016 1.00 0.00 O ATOM 928 CB LEU A 62 0.618 0.256 0.998 1.00 0.00 C ATOM 929 CG LEU A 62 -0.630 -0.156 1.794 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.797 0.788 1.530 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.019 -1.586 1.453 1.00 0.00 C ATOM 0 H LEU A 62 -0.193 1.261 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 62 0.393 2.361 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.699 -0.393 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.496 0.070 1.616 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.387 -0.095 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.663 0.467 2.109 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.520 1.800 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.044 0.773 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.905 -1.868 2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.234 -1.660 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.197 -2.256 1.705 1.00 0.00 H new ATOM 943 N ILE A 63 2.775 2.854 0.837 1.00 0.00 N ATOM 944 CA ILE A 63 4.128 3.265 0.484 1.00 0.00 C ATOM 945 C ILE A 63 5.157 2.597 1.385 1.00 0.00 C ATOM 946 O ILE A 63 5.114 2.742 2.604 1.00 0.00 O ATOM 947 CB ILE A 63 4.299 4.793 0.586 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.049 5.517 0.050 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.554 5.228 -0.160 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.173 6.003 -1.377 1.00 0.00 C ATOM 0 H ILE A 63 2.436 3.229 1.723 1.00 0.00 H new ATOM 0 HA ILE A 63 4.290 2.955 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 63 4.413 5.067 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.196 4.842 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.834 6.370 0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.667 6.309 -0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.425 4.740 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.469 4.946 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.250 6.500 -1.674 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.003 6.705 -1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.356 5.154 -2.036 1.00 0.00 H new ATOM 962 N GLY A 64 6.085 1.867 0.777 1.00 0.00 N ATOM 963 CA GLY A 64 7.115 1.190 1.543 1.00 0.00 C ATOM 964 C GLY A 64 8.379 2.019 1.669 1.00 0.00 C ATOM 965 O GLY A 64 8.738 2.757 0.751 1.00 0.00 O ATOM 0 H GLY A 64 6.143 1.732 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.733 0.961 2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.353 0.239 1.066 1.00 0.00 H new ATOM 969 N LYS A 65 9.056 1.898 2.807 1.00 0.00 N ATOM 970 CA LYS A 65 10.287 2.643 3.048 1.00 0.00 C ATOM 971 C LYS A 65 11.335 2.323 1.987 1.00 0.00 C ATOM 972 O LYS A 65 11.269 1.286 1.327 1.00 0.00 O ATOM 973 CB LYS A 65 10.840 2.322 4.438 1.00 0.00 C ATOM 974 CG LYS A 65 10.197 3.131 5.552 1.00 0.00 C ATOM 975 CD LYS A 65 10.860 2.859 6.893 1.00 0.00 C ATOM 976 CE LYS A 65 10.183 3.630 8.015 1.00 0.00 C ATOM 977 NZ LYS A 65 10.089 2.825 9.264 1.00 0.00 N ATOM 0 H LYS A 65 8.773 1.291 3.576 1.00 0.00 H new ATOM 0 HA LYS A 65 10.053 3.706 2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.695 1.261 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.915 2.503 4.443 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.268 4.193 5.319 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.136 2.888 5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.822 1.791 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.913 3.137 6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.740 4.545 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.183 3.928 7.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.621 3.386 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.536 1.964 9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.044 2.562 9.580 1.00 0.00 H new ATOM 991 N VAL A 66 12.303 3.221 1.828 1.00 0.00 N ATOM 992 CA VAL A 66 13.365 3.034 0.847 1.00 0.00 C ATOM 993 C VAL A 66 14.737 3.040 1.521 1.00 0.00 C ATOM 994 O VAL A 66 14.846 2.862 2.734 1.00 0.00 O ATOM 995 CB VAL A 66 13.305 4.120 -0.257 1.00 0.00 C ATOM 996 CG1 VAL A 66 14.062 5.378 0.151 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.823 3.575 -1.583 1.00 0.00 C ATOM 0 H VAL A 66 12.373 4.085 2.366 1.00 0.00 H new ATOM 0 HA VAL A 66 13.213 2.062 0.378 1.00 0.00 H new ATOM 0 HB VAL A 66 12.259 4.398 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.998 6.117 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.623 5.788 1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.108 5.130 0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.771 4.355 -2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.857 3.252 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 66 13.211 2.727 -1.892 1.00 0.00 H new ATOM 1007 N ASP A 67 15.778 3.247 0.724 1.00 0.00 N ATOM 1008 CA ASP A 67 17.145 3.279 1.231 1.00 0.00 C ATOM 1009 C ASP A 67 18.118 3.632 0.110 1.00 0.00 C ATOM 1010 O ASP A 67 19.067 2.895 -0.161 1.00 0.00 O ATOM 1011 CB ASP A 67 17.515 1.928 1.849 1.00 0.00 C ATOM 1012 CG ASP A 67 17.327 1.911 3.354 1.00 0.00 C ATOM 1013 OD1 ASP A 67 17.367 2.996 3.970 1.00 0.00 O ATOM 1014 OD2 ASP A 67 17.139 0.811 3.916 1.00 0.00 O ATOM 0 H ASP A 67 15.701 3.396 -0.282 1.00 0.00 H new ATOM 0 HA ASP A 67 17.211 4.045 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.903 1.146 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 67 18.553 1.695 1.612 1.00 0.00 H new ATOM 1019 N GLU A 68 17.871 4.763 -0.541 1.00 0.00 N ATOM 1020 CA GLU A 68 18.718 5.216 -1.639 1.00 0.00 C ATOM 1021 C GLU A 68 20.164 5.387 -1.188 1.00 0.00 C ATOM 1022 O GLU A 68 21.085 5.368 -2.005 1.00 0.00 O ATOM 1023 CB GLU A 68 18.189 6.532 -2.211 1.00 0.00 C ATOM 1024 CG GLU A 68 16.810 6.410 -2.842 1.00 0.00 C ATOM 1025 CD GLU A 68 16.315 7.721 -3.422 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.936 8.768 -3.142 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.306 7.700 -4.157 1.00 0.00 O ATOM 0 H GLU A 68 17.090 5.384 -0.327 1.00 0.00 H new ATOM 0 HA GLU A 68 18.692 4.453 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.151 7.275 -1.415 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.890 6.902 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.840 5.657 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.101 6.058 -2.092 1.00 0.00 H new ATOM 1034 N SER A 69 20.359 5.548 0.114 1.00 0.00 N ATOM 1035 CA SER A 69 21.696 5.715 0.669 1.00 0.00 C ATOM 1036 C SER A 69 22.576 4.509 0.352 1.00 0.00 C ATOM 1037 O SER A 69 23.803 4.585 0.438 1.00 0.00 O ATOM 1038 CB SER A 69 21.620 5.923 2.183 1.00 0.00 C ATOM 1039 OG SER A 69 20.794 7.027 2.507 1.00 0.00 O ATOM 0 H SER A 69 19.609 5.567 0.805 1.00 0.00 H new ATOM 0 HA SER A 69 22.144 6.596 0.210 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.230 5.022 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 69 22.622 6.085 2.581 1.00 0.00 H new ATOM 0 HG SER A 69 20.761 7.137 3.480 1.00 0.00 H new ATOM 1045 N LYS A 70 21.946 3.395 -0.013 1.00 0.00 N ATOM 1046 CA LYS A 70 22.677 2.176 -0.340 1.00 0.00 C ATOM 1047 C LYS A 70 23.456 2.337 -1.641 1.00 0.00 C ATOM 1048 O LYS A 70 24.581 1.852 -1.766 1.00 0.00 O ATOM 1049 CB LYS A 70 21.714 0.993 -0.451 1.00 0.00 C ATOM 1050 CG LYS A 70 20.973 0.689 0.841 1.00 0.00 C ATOM 1051 CD LYS A 70 21.921 0.209 1.927 1.00 0.00 C ATOM 1052 CE LYS A 70 21.169 -0.201 3.183 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.049 -1.133 2.880 1.00 0.00 N ATOM 0 H LYS A 70 20.932 3.312 -0.089 1.00 0.00 H new ATOM 0 HA LYS A 70 23.387 1.984 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.987 1.199 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.272 0.108 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 70 20.451 1.583 1.181 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.215 -0.072 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 70 22.501 -0.636 1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.630 1.001 2.169 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.859 -0.677 3.880 1.00 0.00 H new ATOM 0 HE3 LYS A 70 20.778 0.688 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.748 -1.610 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.249 -0.598 2.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.366 -1.843 2.189 1.00 0.00 H new ATOM 1067 N LYS A 71 22.851 3.019 -2.608 1.00 0.00 N ATOM 1068 CA LYS A 71 23.489 3.241 -3.900 1.00 0.00 C ATOM 1069 C LYS A 71 23.809 1.914 -4.582 1.00 0.00 C ATOM 1070 O LYS A 71 24.873 1.335 -4.367 1.00 0.00 O ATOM 1071 CB LYS A 71 24.768 4.061 -3.727 1.00 0.00 C ATOM 1072 CG LYS A 71 24.527 5.560 -3.666 1.00 0.00 C ATOM 1073 CD LYS A 71 24.256 6.024 -2.244 1.00 0.00 C ATOM 1074 CE LYS A 71 24.182 7.540 -2.158 1.00 0.00 C ATOM 1075 NZ LYS A 71 23.781 8.001 -0.800 1.00 0.00 N ATOM 0 H LYS A 71 21.920 3.427 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 71 22.794 3.796 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 71 25.271 3.745 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 25.444 3.844 -4.554 1.00 0.00 H new ATOM 0 HG2 LYS A 71 25.396 6.086 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 71 23.681 5.820 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 71 23.319 5.592 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 71 25.043 5.659 -1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 71 25.152 7.966 -2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 71 23.467 7.911 -2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.247 8.907 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 22.749 8.126 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 24.067 7.292 -0.094 1.00 0.00 H new ATOM 1089 N ARG A 72 22.879 1.437 -5.403 1.00 0.00 N ATOM 1090 CA ARG A 72 23.062 0.177 -6.114 1.00 0.00 C ATOM 1091 C ARG A 72 23.612 0.416 -7.517 1.00 0.00 C ATOM 1092 O ARG A 72 23.220 1.366 -8.194 1.00 0.00 O ATOM 1093 CB ARG A 72 21.737 -0.582 -6.198 1.00 0.00 C ATOM 1094 CG ARG A 72 21.181 -0.988 -4.842 1.00 0.00 C ATOM 1095 CD ARG A 72 22.084 -1.997 -4.152 1.00 0.00 C ATOM 1096 NE ARG A 72 21.508 -2.479 -2.899 1.00 0.00 N ATOM 1097 CZ ARG A 72 22.131 -3.316 -2.071 1.00 0.00 C ATOM 1098 NH1 ARG A 72 23.347 -3.762 -2.358 1.00 0.00 N ATOM 1099 NH2 ARG A 72 21.536 -3.706 -0.952 1.00 0.00 N ATOM 0 H ARG A 72 21.992 1.904 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 72 23.783 -0.422 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 72 21.003 0.040 -6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 72 21.878 -1.476 -6.806 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.072 -0.105 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 72 20.186 -1.414 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 72 22.260 -2.841 -4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 72 23.053 -1.540 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 72 20.575 -2.156 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.810 -3.464 -3.217 1.00 0.00 H new ATOM 0 HH12 ARG A 72 23.819 -4.403 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.602 -3.365 -0.726 1.00 0.00 H new ATOM 0 HH22 ARG A 72 22.013 -4.347 -0.318 1.00 0.00 H new ATOM 1113 N LYS A 73 24.522 -0.452 -7.947 1.00 0.00 N ATOM 1114 CA LYS A 73 25.124 -0.334 -9.269 1.00 0.00 C ATOM 1115 C LYS A 73 24.284 -1.055 -10.318 1.00 0.00 C ATOM 1116 O LYS A 73 23.677 -2.088 -10.039 1.00 0.00 O ATOM 1117 CB LYS A 73 26.546 -0.898 -9.261 1.00 0.00 C ATOM 1118 CG LYS A 73 27.506 -0.123 -8.373 1.00 0.00 C ATOM 1119 CD LYS A 73 28.106 1.064 -9.108 1.00 0.00 C ATOM 1120 CE LYS A 73 29.261 1.674 -8.328 1.00 0.00 C ATOM 1121 NZ LYS A 73 30.454 0.785 -8.314 1.00 0.00 N ATOM 0 H LYS A 73 24.858 -1.244 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 73 25.163 0.724 -9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 73 26.514 -1.935 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 73 26.931 -0.902 -10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 73 26.981 0.226 -7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 73 28.304 -0.784 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 73 28.456 0.747 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 73 27.337 1.819 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 73 29.529 2.634 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 73 28.943 1.871 -7.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 31.283 1.321 -7.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 30.283 -0.015 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 30.631 0.426 -9.274 1.00 0.00 H new ATOM 1135 N ASP A 74 24.257 -0.502 -11.524 1.00 0.00 N ATOM 1136 CA ASP A 74 23.492 -1.088 -12.619 1.00 0.00 C ATOM 1137 C ASP A 74 24.366 -2.015 -13.458 1.00 0.00 C ATOM 1138 O ASP A 74 25.580 -2.086 -13.263 1.00 0.00 O ATOM 1139 CB ASP A 74 22.903 0.013 -13.504 1.00 0.00 C ATOM 1140 CG ASP A 74 21.633 -0.425 -14.207 1.00 0.00 C ATOM 1141 OD1 ASP A 74 21.107 -1.507 -13.868 1.00 0.00 O ATOM 1142 OD2 ASP A 74 21.163 0.314 -15.098 1.00 0.00 O ATOM 0 H ASP A 74 24.757 0.353 -11.770 1.00 0.00 H new ATOM 0 HA ASP A 74 22.680 -1.673 -12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 74 22.692 0.891 -12.894 1.00 0.00 H new ATOM 0 HB3 ASP A 74 23.642 0.311 -14.248 1.00 0.00 H new ATOM 1147 N ASN A 75 23.740 -2.725 -14.391 1.00 0.00 N ATOM 1148 CA ASN A 75 24.458 -3.649 -15.261 1.00 0.00 C ATOM 1149 C ASN A 75 25.523 -2.925 -16.082 1.00 0.00 C ATOM 1150 O ASN A 75 26.458 -3.546 -16.585 1.00 0.00 O ATOM 1151 CB ASN A 75 23.481 -4.368 -16.193 1.00 0.00 C ATOM 1152 CG ASN A 75 22.459 -5.193 -15.437 1.00 0.00 C ATOM 1153 OD1 ASN A 75 21.256 -5.081 -15.672 1.00 0.00 O ATOM 1154 ND2 ASN A 75 22.934 -6.028 -14.520 1.00 0.00 N ATOM 0 H ASN A 75 22.736 -2.678 -14.564 1.00 0.00 H new ATOM 0 HA ASN A 75 24.957 -4.383 -14.628 1.00 0.00 H new ATOM 0 HB2 ASN A 75 22.965 -3.633 -16.810 1.00 0.00 H new ATOM 0 HB3 ASN A 75 24.039 -5.016 -16.869 1.00 0.00 H new ATOM 0 HD21 ASN A 75 22.294 -6.608 -13.978 1.00 0.00 H new ATOM 0 HD22 ASN A 75 23.939 -6.089 -14.358 1.00 0.00 H new ATOM 1161 N GLU A 76 25.375 -1.611 -16.212 1.00 0.00 N ATOM 1162 CA GLU A 76 26.327 -0.808 -16.972 1.00 0.00 C ATOM 1163 C GLU A 76 27.507 -0.371 -16.104 1.00 0.00 C ATOM 1164 O GLU A 76 28.368 0.385 -16.552 1.00 0.00 O ATOM 1165 CB GLU A 76 25.630 0.422 -17.559 1.00 0.00 C ATOM 1166 CG GLU A 76 24.524 0.082 -18.544 1.00 0.00 C ATOM 1167 CD GLU A 76 23.226 -0.296 -17.857 1.00 0.00 C ATOM 1168 OE1 GLU A 76 23.089 -0.012 -16.648 1.00 0.00 O ATOM 1169 OE2 GLU A 76 22.347 -0.877 -18.527 1.00 0.00 O ATOM 0 H GLU A 76 24.607 -1.080 -15.802 1.00 0.00 H new ATOM 0 HA GLU A 76 26.713 -1.427 -17.782 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.211 1.015 -16.746 1.00 0.00 H new ATOM 0 HB3 GLU A 76 26.371 1.045 -18.059 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.349 0.937 -19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 76 24.849 -0.743 -19.178 1.00 0.00 H new ATOM 1176 N GLY A 77 27.542 -0.849 -14.862 1.00 0.00 N ATOM 1177 CA GLY A 77 28.621 -0.490 -13.963 1.00 0.00 C ATOM 1178 C GLY A 77 28.459 0.902 -13.380 1.00 0.00 C ATOM 1179 O GLY A 77 29.403 1.456 -12.816 1.00 0.00 O ATOM 0 H GLY A 77 26.843 -1.477 -14.465 1.00 0.00 H new ATOM 0 HA2 GLY A 77 28.669 -1.216 -13.151 1.00 0.00 H new ATOM 0 HA3 GLY A 77 29.569 -0.547 -14.498 1.00 0.00 H new ATOM 1183 N ASN A 78 27.263 1.468 -13.514 1.00 0.00 N ATOM 1184 CA ASN A 78 26.991 2.803 -12.991 1.00 0.00 C ATOM 1185 C ASN A 78 26.040 2.739 -11.802 1.00 0.00 C ATOM 1186 O ASN A 78 25.138 1.905 -11.759 1.00 0.00 O ATOM 1187 CB ASN A 78 26.397 3.693 -14.082 1.00 0.00 C ATOM 1188 CG ASN A 78 27.324 3.849 -15.272 1.00 0.00 C ATOM 1189 OD1 ASN A 78 28.392 4.453 -15.166 1.00 0.00 O ATOM 1190 ND2 ASN A 78 26.920 3.303 -16.413 1.00 0.00 N ATOM 0 H ASN A 78 26.470 1.025 -13.978 1.00 0.00 H new ATOM 0 HA ASN A 78 27.936 3.231 -12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 78 25.450 3.270 -14.416 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.177 4.676 -13.665 1.00 0.00 H new ATOM 0 HD21 ASN A 78 27.502 3.375 -17.247 1.00 0.00 H new ATOM 0 HD22 ASN A 78 26.027 2.811 -16.455 1.00 0.00 H new ATOM 1197 N GLU A 79 26.252 3.626 -10.838 1.00 0.00 N ATOM 1198 CA GLU A 79 25.416 3.672 -9.643 1.00 0.00 C ATOM 1199 C GLU A 79 24.022 4.198 -9.968 1.00 0.00 C ATOM 1200 O GLU A 79 23.850 5.017 -10.871 1.00 0.00 O ATOM 1201 CB GLU A 79 26.067 4.551 -8.574 1.00 0.00 C ATOM 1202 CG GLU A 79 27.410 4.029 -8.090 1.00 0.00 C ATOM 1203 CD GLU A 79 28.026 4.908 -7.018 1.00 0.00 C ATOM 1204 OE1 GLU A 79 27.534 6.038 -6.819 1.00 0.00 O ATOM 1205 OE2 GLU A 79 29.002 4.463 -6.377 1.00 0.00 O ATOM 0 H GLU A 79 26.996 4.324 -10.859 1.00 0.00 H new ATOM 0 HA GLU A 79 25.319 2.655 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 79 26.200 5.556 -8.974 1.00 0.00 H new ATOM 0 HB3 GLU A 79 25.391 4.634 -7.723 1.00 0.00 H new ATOM 0 HG2 GLU A 79 27.284 3.020 -7.698 1.00 0.00 H new ATOM 0 HG3 GLU A 79 28.095 3.960 -8.935 1.00 0.00 H new ATOM 1212 N VAL A 80 23.029 3.724 -9.222 1.00 0.00 N ATOM 1213 CA VAL A 80 21.649 4.146 -9.425 1.00 0.00 C ATOM 1214 C VAL A 80 20.994 4.519 -8.102 1.00 0.00 C ATOM 1215 O VAL A 80 21.432 4.086 -7.038 1.00 0.00 O ATOM 1216 CB VAL A 80 20.802 3.045 -10.111 1.00 0.00 C ATOM 1217 CG1 VAL A 80 21.603 2.355 -11.204 1.00 0.00 C ATOM 1218 CG2 VAL A 80 20.286 2.026 -9.096 1.00 0.00 C ATOM 0 H VAL A 80 23.156 3.046 -8.470 1.00 0.00 H new ATOM 0 HA VAL A 80 21.684 5.018 -10.078 1.00 0.00 H new ATOM 0 HB VAL A 80 19.937 3.527 -10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.990 1.585 -11.673 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.902 3.088 -11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 80 22.492 1.897 -10.770 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.696 1.267 -9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.130 1.551 -8.596 1.00 0.00 H new ATOM 0 HG23 VAL A 80 19.664 2.531 -8.357 1.00 0.00 H new ATOM 1228 N VAL A 81 19.931 5.309 -8.180 1.00 0.00 N ATOM 1229 CA VAL A 81 19.199 5.716 -6.993 1.00 0.00 C ATOM 1230 C VAL A 81 17.915 4.901 -6.877 1.00 0.00 C ATOM 1231 O VAL A 81 16.920 5.203 -7.538 1.00 0.00 O ATOM 1232 CB VAL A 81 18.849 7.215 -7.028 1.00 0.00 C ATOM 1233 CG1 VAL A 81 18.264 7.658 -5.696 1.00 0.00 C ATOM 1234 CG2 VAL A 81 20.076 8.041 -7.383 1.00 0.00 C ATOM 0 H VAL A 81 19.558 5.680 -9.054 1.00 0.00 H new ATOM 0 HA VAL A 81 19.839 5.536 -6.129 1.00 0.00 H new ATOM 0 HB VAL A 81 18.096 7.376 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 81 18.023 8.720 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 81 17.358 7.088 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 81 18.991 7.483 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.810 9.098 -7.403 1.00 0.00 H new ATOM 0 HG22 VAL A 81 20.853 7.877 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 81 20.445 7.741 -8.364 1.00 0.00 H new ATOM 1244 N PRO A 82 17.919 3.842 -6.048 1.00 0.00 N ATOM 1245 CA PRO A 82 16.752 2.979 -5.873 1.00 0.00 C ATOM 1246 C PRO A 82 15.460 3.771 -5.696 1.00 0.00 C ATOM 1247 O PRO A 82 15.488 4.960 -5.374 1.00 0.00 O ATOM 1248 CB PRO A 82 17.080 2.200 -4.602 1.00 0.00 C ATOM 1249 CG PRO A 82 18.567 2.127 -4.580 1.00 0.00 C ATOM 1250 CD PRO A 82 19.062 3.393 -5.229 1.00 0.00 C ATOM 0 HA PRO A 82 16.577 2.349 -6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.695 2.706 -3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 82 16.634 1.205 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.937 2.044 -3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.921 1.249 -5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 82 19.339 4.141 -4.486 1.00 0.00 H new ATOM 0 HD3 PRO A 82 19.945 3.209 -5.841 1.00 0.00 H new ATOM 1258 N LYS A 83 14.330 3.105 -5.907 1.00 0.00 N ATOM 1259 CA LYS A 83 13.027 3.748 -5.769 1.00 0.00 C ATOM 1260 C LYS A 83 12.236 3.136 -4.621 1.00 0.00 C ATOM 1261 O LYS A 83 12.407 1.965 -4.286 1.00 0.00 O ATOM 1262 CB LYS A 83 12.235 3.636 -7.073 1.00 0.00 C ATOM 1263 CG LYS A 83 12.889 4.346 -8.246 1.00 0.00 C ATOM 1264 CD LYS A 83 13.720 3.388 -9.085 1.00 0.00 C ATOM 1265 CE LYS A 83 13.604 3.702 -10.567 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.035 5.093 -10.877 1.00 0.00 N ATOM 0 H LYS A 83 14.289 2.121 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 83 13.193 4.802 -5.547 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.108 2.582 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.238 4.049 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.121 4.804 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.523 5.152 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.765 3.448 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.393 2.365 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.212 2.999 -11.135 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.572 3.562 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.103 5.214 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.340 5.765 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.964 5.273 -10.446 1.00 0.00 H new ATOM 1280 N PRO A 84 11.369 3.941 -3.992 1.00 0.00 N ATOM 1281 CA PRO A 84 10.548 3.514 -2.856 1.00 0.00 C ATOM 1282 C PRO A 84 9.420 2.574 -3.265 1.00 0.00 C ATOM 1283 O PRO A 84 8.875 2.685 -4.363 1.00 0.00 O ATOM 1284 CB PRO A 84 9.983 4.831 -2.309 1.00 0.00 C ATOM 1285 CG PRO A 84 10.800 5.888 -2.965 1.00 0.00 C ATOM 1286 CD PRO A 84 11.126 5.348 -4.311 1.00 0.00 C ATOM 0 HA PRO A 84 11.129 2.949 -2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.926 4.940 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.069 4.879 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.247 6.824 -3.040 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.705 6.097 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.305 5.476 -5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.001 5.829 -4.748 1.00 0.00 H new ATOM 1294 N GLN A 85 9.074 1.650 -2.375 1.00 0.00 N ATOM 1295 CA GLN A 85 8.007 0.693 -2.645 1.00 0.00 C ATOM 1296 C GLN A 85 6.644 1.373 -2.592 1.00 0.00 C ATOM 1297 O GLN A 85 6.409 2.253 -1.764 1.00 0.00 O ATOM 1298 CB GLN A 85 8.056 -0.456 -1.636 1.00 0.00 C ATOM 1299 CG GLN A 85 8.977 -1.592 -2.051 1.00 0.00 C ATOM 1300 CD GLN A 85 9.084 -2.672 -0.993 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.904 -2.582 -0.079 1.00 0.00 O ATOM 1302 NE2 GLN A 85 8.254 -3.702 -1.111 1.00 0.00 N ATOM 0 H GLN A 85 9.516 1.543 -1.462 1.00 0.00 H new ATOM 0 HA GLN A 85 8.156 0.292 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.384 -0.068 -0.672 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.049 -0.849 -1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.610 -2.032 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.970 -1.193 -2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.590 -3.736 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.280 -4.459 -0.428 1.00 0.00 H new ATOM 1311 N ARG A 86 5.748 0.961 -3.482 1.00 0.00 N ATOM 1312 CA ARG A 86 4.406 1.531 -3.535 1.00 0.00 C ATOM 1313 C ARG A 86 3.401 0.507 -4.055 1.00 0.00 C ATOM 1314 O ARG A 86 3.527 0.013 -5.175 1.00 0.00 O ATOM 1315 CB ARG A 86 4.395 2.773 -4.429 1.00 0.00 C ATOM 1316 CG ARG A 86 5.298 3.888 -3.927 1.00 0.00 C ATOM 1317 CD ARG A 86 5.089 5.171 -4.715 1.00 0.00 C ATOM 1318 NE ARG A 86 6.147 6.147 -4.464 1.00 0.00 N ATOM 1319 CZ ARG A 86 6.394 7.192 -5.251 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.661 7.400 -6.339 1.00 0.00 N ATOM 1321 NH2 ARG A 86 7.376 8.031 -4.950 1.00 0.00 N ATOM 0 H ARG A 86 5.926 0.235 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 86 4.117 1.816 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.705 2.490 -5.435 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.374 3.148 -4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.099 4.072 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 86 6.340 3.577 -4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.054 4.941 -5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.125 5.606 -4.451 1.00 0.00 H new ATOM 0 HE ARG A 86 6.731 6.020 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.905 6.758 -6.575 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.854 8.202 -6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.942 7.876 -4.116 1.00 0.00 H new ATOM 0 HH22 ARG A 86 7.565 8.832 -5.553 1.00 0.00 H new ATOM 1335 N HIS A 87 2.403 0.193 -3.235 1.00 0.00 N ATOM 1336 CA HIS A 87 1.376 -0.772 -3.614 1.00 0.00 C ATOM 1337 C HIS A 87 0.067 -0.063 -3.945 1.00 0.00 C ATOM 1338 O HIS A 87 -0.156 1.074 -3.530 1.00 0.00 O ATOM 1339 CB HIS A 87 1.154 -1.783 -2.489 1.00 0.00 C ATOM 1340 CG HIS A 87 2.403 -2.495 -2.068 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.055 -3.408 -2.869 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.120 -2.423 -0.921 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.119 -3.868 -2.233 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.180 -3.285 -1.050 1.00 0.00 N ATOM 0 H HIS A 87 2.283 0.592 -2.304 1.00 0.00 H new ATOM 0 HA HIS A 87 1.718 -1.303 -4.503 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.731 -1.267 -1.627 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.418 -2.519 -2.813 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.899 -1.803 -0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.819 -4.596 -2.616 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.899 -3.449 -0.345 1.00 0.00 H new ATOM 1353 N MET A 88 -0.797 -0.739 -4.699 1.00 0.00 N ATOM 1354 CA MET A 88 -2.081 -0.164 -5.085 1.00 0.00 C ATOM 1355 C MET A 88 -3.224 -1.141 -4.834 1.00 0.00 C ATOM 1356 O MET A 88 -3.241 -2.247 -5.374 1.00 0.00 O ATOM 1357 CB MET A 88 -2.056 0.238 -6.561 1.00 0.00 C ATOM 1358 CG MET A 88 -3.350 0.880 -7.038 1.00 0.00 C ATOM 1359 SD MET A 88 -3.362 1.177 -8.816 1.00 0.00 S ATOM 1360 CE MET A 88 -5.078 1.622 -9.073 1.00 0.00 C ATOM 0 H MET A 88 -0.631 -1.681 -5.053 1.00 0.00 H new ATOM 0 HA MET A 88 -2.249 0.721 -4.471 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.233 0.933 -6.726 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.853 -0.645 -7.166 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.189 0.236 -6.775 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.497 1.825 -6.515 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.497 1.010 -9.872 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.639 1.453 -8.154 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.143 2.674 -9.350 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.183 -0.720 -4.014 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.339 -1.549 -3.694 1.00 0.00 C ATOM 1372 C PHE A 89 -6.632 -0.772 -3.918 1.00 0.00 C ATOM 1373 O PHE A 89 -6.645 0.457 -3.849 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.261 -2.032 -2.245 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.100 -2.947 -1.978 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.850 -2.432 -1.674 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.259 -4.322 -2.034 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.780 -3.272 -1.430 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.193 -5.167 -1.790 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.952 -4.641 -1.488 1.00 0.00 C ATOM 0 H PHE A 89 -4.181 0.193 -3.559 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.334 -2.416 -4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.190 -1.167 -1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.186 -2.550 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.710 -1.362 -1.627 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.227 -4.738 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.811 -2.858 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.330 -6.237 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.117 -5.299 -1.298 1.00 0.00 H new ATOM 1390 N SER A 90 -7.716 -1.491 -4.189 1.00 0.00 N ATOM 1391 CA SER A 90 -9.008 -0.856 -4.425 1.00 0.00 C ATOM 1392 C SER A 90 -10.084 -1.445 -3.519 1.00 0.00 C ATOM 1393 O SER A 90 -10.195 -2.662 -3.377 1.00 0.00 O ATOM 1394 CB SER A 90 -9.419 -1.014 -5.890 1.00 0.00 C ATOM 1395 OG SER A 90 -10.631 -0.328 -6.156 1.00 0.00 O ATOM 0 H SER A 90 -7.726 -2.509 -4.251 1.00 0.00 H new ATOM 0 HA SER A 90 -8.906 0.204 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.630 -0.629 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.537 -2.072 -6.126 1.00 0.00 H new ATOM 0 HG SER A 90 -10.872 -0.443 -7.099 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.878 -0.570 -2.911 1.00 0.00 N ATOM 1402 CA PHE A 91 -11.952 -0.997 -2.021 1.00 0.00 C ATOM 1403 C PHE A 91 -13.300 -0.503 -2.536 1.00 0.00 C ATOM 1404 O PHE A 91 -13.361 0.412 -3.358 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.710 -0.472 -0.605 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.521 -1.087 0.077 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.242 -0.614 -0.171 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.683 -2.135 0.970 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.147 -1.176 0.460 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.592 -2.698 1.603 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.322 -2.218 1.348 1.00 0.00 C ATOM 0 H PHE A 91 -10.798 0.441 -3.019 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.964 -2.087 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.574 0.609 -0.647 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.599 -0.658 -0.002 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.099 0.202 -0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.673 -2.515 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.155 -0.800 0.258 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.732 -3.513 2.297 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.468 -2.657 1.842 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.378 -1.109 -2.051 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.721 -0.719 -2.469 1.00 0.00 C ATOM 1423 C ASN A 92 -16.465 -0.009 -1.343 1.00 0.00 C ATOM 1424 O ASN A 92 -17.421 0.728 -1.587 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.515 -1.941 -2.926 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.734 -2.812 -3.890 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.724 -4.037 -3.769 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.075 -2.183 -4.855 1.00 0.00 N ATOM 0 H ASN A 92 -14.350 -1.869 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.620 -0.026 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.799 -2.532 -2.055 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.438 -1.613 -3.404 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.532 -2.717 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.111 -1.166 -4.918 1.00 0.00 H new ATOM 1435 N ASN A 93 -16.022 -0.231 -0.112 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.646 0.394 1.047 1.00 0.00 C ATOM 1437 C ASN A 93 -15.664 1.325 1.750 1.00 0.00 C ATOM 1438 O ASN A 93 -14.672 0.878 2.325 1.00 0.00 O ATOM 1439 CB ASN A 93 -17.141 -0.674 2.024 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.240 -1.535 1.431 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.900 -1.142 0.469 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.440 -2.715 2.004 1.00 0.00 N ATOM 0 H ASN A 93 -15.233 -0.839 0.109 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.497 0.981 0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -16.305 -1.308 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -17.510 -0.192 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -19.165 -3.338 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -17.868 -2.999 2.800 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.946 2.625 1.698 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.084 3.622 2.330 1.00 0.00 C ATOM 1451 C ARG A 94 -14.738 3.219 3.757 1.00 0.00 C ATOM 1452 O ARG A 94 -13.676 3.563 4.273 1.00 0.00 O ATOM 1453 CB ARG A 94 -15.763 4.993 2.323 1.00 0.00 C ATOM 1454 CG ARG A 94 -15.874 5.610 0.939 1.00 0.00 C ATOM 1455 CD ARG A 94 -17.208 5.280 0.287 1.00 0.00 C ATOM 1456 NE ARG A 94 -17.569 6.251 -0.743 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.087 7.450 -0.483 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -18.304 7.829 0.769 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.387 8.270 -1.480 1.00 0.00 N ATOM 0 H ARG A 94 -16.763 3.012 1.226 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.159 3.680 1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.761 4.897 2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.204 5.669 2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.761 6.692 1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.061 5.246 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.159 4.285 -0.154 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -17.987 5.253 1.049 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.415 5.996 -1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.074 7.201 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.701 8.749 0.962 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.221 7.982 -2.444 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.784 9.189 -1.283 1.00 0.00 H new ATOM 1473 N THR A 95 -15.645 2.486 4.386 1.00 0.00 N ATOM 1474 CA THR A 95 -15.460 2.027 5.739 1.00 0.00 C ATOM 1475 C THR A 95 -14.348 0.986 5.819 1.00 0.00 C ATOM 1476 O THR A 95 -13.453 1.086 6.657 1.00 0.00 O ATOM 1477 CB THR A 95 -16.769 1.443 6.238 1.00 0.00 C ATOM 1478 OG1 THR A 95 -17.851 1.868 5.427 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.088 1.828 7.656 1.00 0.00 C ATOM 0 H THR A 95 -16.528 2.197 3.965 1.00 0.00 H new ATOM 0 HA THR A 95 -15.166 2.869 6.366 1.00 0.00 H new ATOM 0 HB THR A 95 -16.639 0.362 6.190 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.685 1.479 5.764 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.036 1.378 7.951 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.297 1.473 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.163 2.913 7.730 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.406 -0.009 4.938 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.395 -1.057 4.913 1.00 0.00 C ATOM 1489 C VAL A 96 -12.015 -0.458 4.683 1.00 0.00 C ATOM 1490 O VAL A 96 -11.087 -0.700 5.455 1.00 0.00 O ATOM 1491 CB VAL A 96 -13.687 -2.105 3.819 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.650 -3.217 3.848 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.089 -2.671 3.986 1.00 0.00 C ATOM 0 H VAL A 96 -15.139 -0.110 4.236 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.422 -1.556 5.882 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.628 -1.614 2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.875 -3.945 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.660 -2.796 3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.671 -3.709 4.821 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.279 -3.409 3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.176 -3.146 4.963 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.818 -1.865 3.908 1.00 0.00 H new ATOM 1503 N MET A 97 -11.889 0.343 3.630 1.00 0.00 N ATOM 1504 CA MET A 97 -10.619 0.991 3.328 1.00 0.00 C ATOM 1505 C MET A 97 -10.241 1.932 4.461 1.00 0.00 C ATOM 1506 O MET A 97 -9.062 2.121 4.760 1.00 0.00 O ATOM 1507 CB MET A 97 -10.682 1.760 2.003 1.00 0.00 C ATOM 1508 CG MET A 97 -12.019 2.429 1.728 1.00 0.00 C ATOM 1509 SD MET A 97 -11.952 3.544 0.313 1.00 0.00 S ATOM 1510 CE MET A 97 -10.562 4.576 0.766 1.00 0.00 C ATOM 0 H MET A 97 -12.643 0.557 2.977 1.00 0.00 H new ATOM 0 HA MET A 97 -9.858 0.217 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 97 -9.902 2.521 2.001 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.459 1.073 1.187 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.775 1.664 1.549 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.332 2.986 2.611 1.00 0.00 H new ATOM 0 HE1 MET A 97 -10.669 5.556 0.301 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.532 4.690 1.850 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.637 4.111 0.424 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.254 2.512 5.099 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.028 3.422 6.212 1.00 0.00 C ATOM 1522 C ASP A 98 -10.371 2.684 7.368 1.00 0.00 C ATOM 1523 O ASP A 98 -9.552 3.246 8.093 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.344 4.053 6.671 1.00 0.00 C ATOM 1525 CG ASP A 98 -12.614 5.387 5.999 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -11.804 5.793 5.138 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -13.634 6.025 6.335 1.00 0.00 O ATOM 0 H ASP A 98 -12.236 2.367 4.863 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.363 4.218 5.875 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.165 3.369 6.457 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.319 4.193 7.752 1.00 0.00 H new ATOM 1532 N ASN A 99 -10.734 1.417 7.525 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.176 0.586 8.585 1.00 0.00 C ATOM 1534 C ASN A 99 -8.726 0.231 8.277 1.00 0.00 C ATOM 1535 O ASN A 99 -7.860 0.300 9.148 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.002 -0.691 8.754 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.442 -0.402 9.132 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -12.718 0.472 9.953 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -13.370 -1.139 8.531 1.00 0.00 N ATOM 0 H ASN A 99 -11.413 0.942 6.931 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.209 1.152 9.516 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -10.980 -1.260 7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.546 -1.316 9.522 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -14.356 -0.991 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.096 -1.853 7.856 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.472 -0.141 7.027 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.128 -0.500 6.591 1.00 0.00 C ATOM 1548 C ILE A 100 -6.174 0.672 6.778 1.00 0.00 C ATOM 1549 O ILE A 100 -5.100 0.528 7.364 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.122 -0.924 5.106 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.087 -2.089 4.882 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.716 -1.299 4.654 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.610 -3.394 5.479 1.00 0.00 C ATOM 0 H ILE A 100 -9.181 -0.202 6.297 1.00 0.00 H new ATOM 0 HA ILE A 100 -6.798 -1.340 7.202 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.455 -0.076 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.056 -1.835 5.312 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.239 -2.223 3.811 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.738 -1.594 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.054 -0.442 4.776 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.349 -2.130 5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.345 -4.175 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.656 -3.672 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.485 -3.278 6.556 1.00 0.00 H new ATOM 1565 N LYS A 101 -6.577 1.830 6.277 1.00 0.00 N ATOM 1566 CA LYS A 101 -5.770 3.036 6.384 1.00 0.00 C ATOM 1567 C LYS A 101 -5.551 3.417 7.843 1.00 0.00 C ATOM 1568 O LYS A 101 -4.520 3.983 8.202 1.00 0.00 O ATOM 1569 CB LYS A 101 -6.451 4.185 5.640 1.00 0.00 C ATOM 1570 CG LYS A 101 -5.505 5.308 5.247 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.103 6.674 5.552 1.00 0.00 C ATOM 1572 CE LYS A 101 -7.463 6.855 4.894 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.512 7.228 5.882 1.00 0.00 N ATOM 0 H LYS A 101 -7.463 1.960 5.790 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.797 2.840 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.927 3.792 4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.243 4.593 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -4.562 5.195 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.278 5.238 4.183 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -6.202 6.795 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -5.425 7.453 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.396 7.627 4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.749 5.931 4.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -9.423 7.342 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.595 6.480 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.252 8.123 6.343 1.00 0.00 H new ATOM 1587 N MET A 102 -6.529 3.092 8.676 1.00 0.00 N ATOM 1588 CA MET A 102 -6.457 3.390 10.100 1.00 0.00 C ATOM 1589 C MET A 102 -5.580 2.370 10.815 1.00 0.00 C ATOM 1590 O MET A 102 -4.758 2.724 11.661 1.00 0.00 O ATOM 1591 CB MET A 102 -7.869 3.424 10.708 1.00 0.00 C ATOM 1592 CG MET A 102 -8.043 2.566 11.954 1.00 0.00 C ATOM 1593 SD MET A 102 -9.593 2.896 12.815 1.00 0.00 S ATOM 1594 CE MET A 102 -10.754 2.011 11.776 1.00 0.00 C ATOM 0 H MET A 102 -7.386 2.619 8.389 1.00 0.00 H new ATOM 0 HA MET A 102 -6.005 4.373 10.230 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.119 4.456 10.955 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.583 3.095 9.953 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.005 1.513 11.674 1.00 0.00 H new ATOM 0 HG3 MET A 102 -7.209 2.745 12.633 1.00 0.00 H new ATOM 0 HE1 MET A 102 -11.730 1.985 12.261 1.00 0.00 H new ATOM 0 HE2 MET A 102 -10.840 2.517 10.814 1.00 0.00 H new ATOM 0 HE3 MET A 102 -10.399 0.992 11.620 1.00 0.00 H new ATOM 1604 N THR A 103 -5.767 1.101 10.471 1.00 0.00 N ATOM 1605 CA THR A 103 -5.000 0.028 11.079 1.00 0.00 C ATOM 1606 C THR A 103 -3.531 0.112 10.672 1.00 0.00 C ATOM 1607 O THR A 103 -2.637 -0.063 11.501 1.00 0.00 O ATOM 1608 CB THR A 103 -5.611 -1.321 10.693 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.216 -1.936 11.817 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.610 -2.289 10.129 1.00 0.00 C ATOM 0 H THR A 103 -6.444 0.793 9.773 1.00 0.00 H new ATOM 0 HA THR A 103 -5.040 0.129 12.164 1.00 0.00 H new ATOM 0 HB THR A 103 -6.346 -1.094 9.921 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.170 -2.910 11.721 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.110 -3.224 9.877 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.159 -1.865 9.232 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.833 -2.481 10.869 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.285 0.385 9.395 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.922 0.495 8.895 1.00 0.00 C ATOM 1620 C LEU A 104 -1.186 1.633 9.593 1.00 0.00 C ATOM 1621 O LEU A 104 -0.006 1.511 9.922 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.924 0.715 7.382 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.153 -0.547 6.547 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.324 -0.191 5.078 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -0.998 -1.523 6.732 1.00 0.00 C ATOM 0 H LEU A 104 -4.009 0.533 8.692 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.401 -0.438 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.699 1.441 7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.970 1.156 7.093 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.069 -1.028 6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.486 -1.101 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.182 0.471 4.961 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.426 0.313 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.176 -2.415 6.132 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.068 -1.051 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.922 -1.802 7.783 1.00 0.00 H new ATOM 1637 N GLN A 105 -1.891 2.736 9.821 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.304 3.893 10.488 1.00 0.00 C ATOM 1639 C GLN A 105 -0.840 3.527 11.890 1.00 0.00 C ATOM 1640 O GLN A 105 0.142 4.071 12.395 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.314 5.042 10.557 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.332 5.917 9.315 1.00 0.00 C ATOM 1643 CD GLN A 105 -3.088 7.214 9.526 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -3.481 7.541 10.646 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.298 7.960 8.448 1.00 0.00 N ATOM 0 H GLN A 105 -2.868 2.853 9.554 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.440 4.216 9.907 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.310 4.629 10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.086 5.662 11.424 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.307 6.142 9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.787 5.365 8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -2.955 7.651 7.539 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.803 8.843 8.529 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.554 2.599 12.510 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.221 2.150 13.855 1.00 0.00 C ATOM 1656 C GLN A 106 0.090 1.370 13.857 1.00 0.00 C ATOM 1657 O GLN A 106 0.817 1.362 14.851 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.346 1.281 14.421 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.636 2.046 14.671 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.741 1.160 15.213 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -4.648 -0.066 15.168 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -5.796 1.781 15.728 1.00 0.00 N ATOM 0 H GLN A 106 -2.369 2.141 12.103 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.102 3.031 14.486 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.546 0.463 13.729 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.012 0.832 15.356 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.444 2.855 15.376 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.968 2.507 13.740 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -5.830 2.800 15.744 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.572 1.239 16.107 1.00 0.00 H new ATOM 1671 N ILE A 107 0.385 0.712 12.741 1.00 0.00 N ATOM 1672 CA ILE A 107 1.605 -0.074 12.616 1.00 0.00 C ATOM 1673 C ILE A 107 2.818 0.819 12.381 1.00 0.00 C ATOM 1674 O ILE A 107 3.824 0.705 13.079 1.00 0.00 O ATOM 1675 CB ILE A 107 1.496 -1.104 11.474 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.242 -1.959 11.656 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.739 -1.980 11.424 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.250 -2.592 10.373 1.00 0.00 C ATOM 0 H ILE A 107 -0.206 0.708 11.909 1.00 0.00 H new ATOM 0 HA ILE A 107 1.736 -0.606 13.558 1.00 0.00 H new ATOM 0 HB ILE A 107 1.419 -0.569 10.527 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.450 -2.744 12.383 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.552 -1.340 12.074 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.644 -2.701 10.612 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.617 -1.357 11.255 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.848 -2.511 12.370 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.142 -3.184 10.578 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.490 -1.812 9.651 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.527 -3.237 9.964 1.00 0.00 H new ATOM 1690 N ILE A 108 2.717 1.720 11.409 1.00 0.00 N ATOM 1691 CA ILE A 108 3.819 2.636 11.115 1.00 0.00 C ATOM 1692 C ILE A 108 4.172 3.407 12.363 1.00 0.00 C ATOM 1693 O ILE A 108 5.284 3.321 12.885 1.00 0.00 O ATOM 1694 CB ILE A 108 3.471 3.659 10.013 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.625 3.029 8.911 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.741 4.255 9.431 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.725 4.025 8.219 1.00 0.00 C ATOM 0 H ILE A 108 1.895 1.837 10.817 1.00 0.00 H new ATOM 0 HA ILE A 108 4.651 2.025 10.764 1.00 0.00 H new ATOM 0 HB ILE A 108 2.881 4.454 10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.282 2.568 8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.016 2.232 9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 108 4.482 4.975 8.655 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.302 4.757 10.219 1.00 0.00 H new ATOM 0 HG23 ILE A 108 5.351 3.461 9.001 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.148 3.518 7.445 1.00 0.00 H new ATOM 0 HD12 ILE A 108 1.045 4.468 8.947 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.331 4.809 7.765 1.00 0.00 H new ATOM 1709 N SER A 109 3.193 4.150 12.839 1.00 0.00 N ATOM 1710 CA SER A 109 3.349 4.947 14.047 1.00 0.00 C ATOM 1711 C SER A 109 3.910 4.096 15.182 1.00 0.00 C ATOM 1712 O SER A 109 4.600 4.597 16.070 1.00 0.00 O ATOM 1713 CB SER A 109 2.011 5.561 14.462 1.00 0.00 C ATOM 1714 OG SER A 109 2.180 6.496 15.513 1.00 0.00 O ATOM 0 H SER A 109 2.272 4.221 12.406 1.00 0.00 H new ATOM 0 HA SER A 109 4.052 5.753 13.835 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.552 6.053 13.604 1.00 0.00 H new ATOM 0 HB3 SER A 109 1.329 4.772 14.780 1.00 0.00 H new ATOM 0 HG SER A 109 1.310 6.874 15.758 1.00 0.00 H new ATOM 1720 N ARG A 110 3.612 2.800 15.139 1.00 0.00 N ATOM 1721 CA ARG A 110 4.090 1.872 16.154 1.00 0.00 C ATOM 1722 C ARG A 110 5.605 1.749 16.098 1.00 0.00 C ATOM 1723 O ARG A 110 6.277 1.688 17.128 1.00 0.00 O ATOM 1724 CB ARG A 110 3.445 0.495 15.965 1.00 0.00 C ATOM 1725 CG ARG A 110 2.534 0.083 17.109 1.00 0.00 C ATOM 1726 CD ARG A 110 2.118 -1.374 16.986 1.00 0.00 C ATOM 1727 NE ARG A 110 0.931 -1.673 17.784 1.00 0.00 N ATOM 1728 CZ ARG A 110 0.503 -2.907 18.041 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.159 -3.958 17.566 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -0.586 -3.090 18.776 1.00 0.00 N ATOM 0 H ARG A 110 3.041 2.371 14.411 1.00 0.00 H new ATOM 0 HA ARG A 110 3.808 2.262 17.132 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.871 0.497 15.038 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.231 -0.252 15.852 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.046 0.238 18.059 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.648 0.717 17.117 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.920 -1.608 15.940 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.940 -2.014 17.305 1.00 0.00 H new ATOM 0 HE ARG A 110 0.400 -0.891 18.166 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.997 -3.823 17.000 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.825 -4.901 17.767 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.094 -2.286 19.143 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.915 -4.035 18.974 1.00 0.00 H new ATOM 1744 N TYR A 111 6.132 1.722 14.885 1.00 0.00 N ATOM 1745 CA TYR A 111 7.571 1.615 14.678 1.00 0.00 C ATOM 1746 C TYR A 111 8.222 2.992 14.718 1.00 0.00 C ATOM 1747 O TYR A 111 9.378 3.132 15.118 1.00 0.00 O ATOM 1748 CB TYR A 111 7.868 0.928 13.343 1.00 0.00 C ATOM 1749 CG TYR A 111 7.543 -0.550 13.343 1.00 0.00 C ATOM 1750 CD1 TYR A 111 8.431 -1.476 13.873 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.344 -1.016 12.818 1.00 0.00 C ATOM 1752 CE1 TYR A 111 8.135 -2.827 13.879 1.00 0.00 C ATOM 1753 CE2 TYR A 111 6.041 -2.365 12.821 1.00 0.00 C ATOM 1754 CZ TYR A 111 6.939 -3.265 13.352 1.00 0.00 C ATOM 1755 OH TYR A 111 6.641 -4.609 13.356 1.00 0.00 O ATOM 0 H TYR A 111 5.585 1.773 14.025 1.00 0.00 H new ATOM 0 HA TYR A 111 7.989 1.011 15.483 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.296 1.418 12.555 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.922 1.061 13.101 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.368 -1.136 14.288 1.00 0.00 H new ATOM 0 HD2 TYR A 111 5.638 -0.313 12.401 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.837 -3.535 14.294 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.105 -2.712 12.409 1.00 0.00 H new ATOM 0 HH TYR A 111 5.685 -4.733 13.177 1.00 0.00 H new ATOM 1765 N LYS A 112 7.469 4.008 14.311 1.00 0.00 N ATOM 1766 CA LYS A 112 7.965 5.378 14.309 1.00 0.00 C ATOM 1767 C LYS A 112 8.266 5.838 15.731 1.00 0.00 C ATOM 1768 O LYS A 112 9.309 6.436 15.994 1.00 0.00 O ATOM 1769 CB LYS A 112 6.939 6.310 13.668 1.00 0.00 C ATOM 1770 CG LYS A 112 6.517 5.880 12.274 1.00 0.00 C ATOM 1771 CD LYS A 112 6.604 7.033 11.290 1.00 0.00 C ATOM 1772 CE LYS A 112 7.106 6.570 9.933 1.00 0.00 C ATOM 1773 NZ LYS A 112 6.369 7.223 8.815 1.00 0.00 N ATOM 0 H LYS A 112 6.510 3.907 13.977 1.00 0.00 H new ATOM 0 HA LYS A 112 8.886 5.410 13.727 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.057 6.360 14.307 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.355 7.316 13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.153 5.062 11.936 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.496 5.500 12.302 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.622 7.492 11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.271 7.799 11.684 1.00 0.00 H new ATOM 0 HE2 LYS A 112 8.170 6.791 9.845 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.998 5.488 9.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.742 6.880 7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.357 6.991 8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 6.493 8.254 8.873 1.00 0.00 H new