USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 835 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: X 20 LYS NZ :NH3+ -158:sc= 0.0106 (180deg=0) USER MOD Set 1.2: X 28 TYR OH : rot 180:sc= 0.00917 USER MOD Set 2.1: X 14 GLN : amide:sc= -0.638 X(o=-1,f=-1) USER MOD Set 2.2: X 17 GLN : amide:sc= -0.406 K(o=-1,f=-3.1!) USER MOD Single : X 1 MET CE :methyl -106:sc= -0.493 (180deg=-3.13!) USER MOD Single : X 1 MET N :NH3+ -127:sc= -0.985 (180deg=-3.73!) USER MOD Single : X 3 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : X 6 SER OG : rot 180:sc= 0.207 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : X 8 HIS : no HD1:sc=-0.00301 X(o=-0.003,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 16 LYS NZ :NH3+ 167:sc= -3.27! (180deg=-3.97!) USER MOD Single : X 21 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 33 LYS NZ :NH3+ 170:sc= 0.649 (180deg=0.329) USER MOD Single : X 39 LYS NZ :NH3+ -163:sc= -0.0269 (180deg=-0.395) USER MOD Single : X 41 THR OG1 : rot 117:sc= 0.911 USER MOD Single : X 42 CYS SG : rot 180:sc= -2.53! USER MOD Single : X 47 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.33) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 139:sc= -2.8 (180deg=-4.21!) USER MOD Single : X 62 CYS SG : rot 79:sc= 0.233 USER MOD Single : X 64 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.5!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.7!) USER MOD Single : X 69 THR OG1 : rot 104:sc= 0.851 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -71:sc= 0.432 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -0.101 K(o=-0.1,f=-2.4!) USER MOD Single : X 98 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.43) USER MOD Single : X 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.927 -4.798 1.214 1.00 1.00 N ATOM 2 CA MET X 1 71.360 -6.123 1.594 1.00 1.00 C ATOM 3 C MET X 1 70.755 -6.792 0.359 1.00 1.00 C ATOM 4 O MET X 1 71.384 -6.894 -0.675 1.00 1.00 O ATOM 5 CB MET X 1 70.272 -5.928 2.653 1.00 1.00 C ATOM 6 CG MET X 1 70.891 -5.323 3.915 1.00 1.00 C ATOM 7 SD MET X 1 69.585 -4.966 5.115 1.00 1.00 S ATOM 8 CE MET X 1 69.104 -6.679 5.444 1.00 1.00 C ATOM 0 H1 MET X 1 72.916 -4.740 1.530 1.00 1.00 H new ATOM 0 H2 MET X 1 71.887 -4.687 0.181 1.00 1.00 H new ATOM 0 H3 MET X 1 71.374 -4.042 1.666 1.00 1.00 H new ATOM 0 HA MET X 1 72.151 -6.754 1.998 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.489 -5.274 2.269 1.00 1.00 H new ATOM 0 HB3 MET X 1 69.802 -6.883 2.887 1.00 1.00 H new ATOM 0 HG2 MET X 1 71.616 -6.014 4.345 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.431 -4.409 3.666 1.00 1.00 H new ATOM 0 HE1 MET X 1 68.150 -6.888 4.960 1.00 1.00 H new ATOM 0 HE2 MET X 1 69.866 -7.353 5.051 1.00 1.00 H new ATOM 0 HE3 MET X 1 69.006 -6.829 6.519 1.00 1.00 H new ATOM 20 N GLY X 2 69.536 -7.250 0.457 1.00 1.00 N ATOM 21 CA GLY X 2 68.894 -7.918 -0.711 1.00 1.00 C ATOM 22 C GLY X 2 69.361 -9.371 -0.789 1.00 1.00 C ATOM 23 O GLY X 2 69.056 -10.082 -1.727 1.00 1.00 O ATOM 0 H GLY X 2 68.958 -7.190 1.295 1.00 1.00 H new ATOM 0 HA2 GLY X 2 67.809 -7.879 -0.615 1.00 1.00 H new ATOM 0 HA3 GLY X 2 69.152 -7.392 -1.631 1.00 1.00 H new ATOM 27 N GLN X 3 70.100 -9.821 0.188 1.00 1.00 N ATOM 28 CA GLN X 3 70.589 -11.229 0.167 1.00 1.00 C ATOM 29 C GLN X 3 70.225 -11.914 1.487 1.00 1.00 C ATOM 30 O GLN X 3 70.121 -11.281 2.518 1.00 1.00 O ATOM 31 CB GLN X 3 72.109 -11.239 -0.012 1.00 1.00 C ATOM 32 CG GLN X 3 72.457 -10.829 -1.445 1.00 1.00 C ATOM 33 CD GLN X 3 73.977 -10.797 -1.611 1.00 1.00 C ATOM 34 OE1 GLN X 3 74.664 -10.090 -0.900 1.00 1.00 O ATOM 35 NE2 GLN X 3 74.537 -11.538 -2.528 1.00 1.00 N ATOM 0 H GLN X 3 70.386 -9.274 1.000 1.00 1.00 H new ATOM 0 HA GLN X 3 70.123 -11.764 -0.661 1.00 1.00 H new ATOM 0 HB2 GLN X 3 72.574 -10.554 0.697 1.00 1.00 H new ATOM 0 HB3 GLN X 3 72.504 -12.233 0.199 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.018 -11.532 -2.153 1.00 1.00 H new ATOM 0 HG3 GLN X 3 72.035 -9.849 -1.667 1.00 1.00 H new ATOM 0 HE21 GLN X 3 73.962 -12.132 -3.125 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.550 -11.523 -2.647 1.00 1.00 H new ATOM 44 N GLU X 4 70.031 -13.204 1.462 1.00 1.00 N ATOM 45 CA GLU X 4 69.675 -13.929 2.715 1.00 1.00 C ATOM 46 C GLU X 4 70.701 -13.603 3.803 1.00 1.00 C ATOM 47 O GLU X 4 71.884 -13.832 3.644 1.00 1.00 O ATOM 48 CB GLU X 4 69.677 -15.436 2.450 1.00 1.00 C ATOM 49 CG GLU X 4 68.472 -15.804 1.581 1.00 1.00 C ATOM 50 CD GLU X 4 68.527 -17.294 1.236 1.00 1.00 C ATOM 51 OE1 GLU X 4 69.448 -17.953 1.690 1.00 1.00 O ATOM 52 OE2 GLU X 4 67.646 -17.749 0.526 1.00 1.00 O ATOM 0 H GLU X 4 70.104 -13.787 0.628 1.00 1.00 H new ATOM 0 HA GLU X 4 68.684 -13.618 3.045 1.00 1.00 H new ATOM 0 HB2 GLU X 4 70.601 -15.727 1.951 1.00 1.00 H new ATOM 0 HB3 GLU X 4 69.639 -15.982 3.393 1.00 1.00 H new ATOM 0 HG2 GLU X 4 67.546 -15.576 2.109 1.00 1.00 H new ATOM 0 HG3 GLU X 4 68.473 -15.208 0.668 1.00 1.00 H new ATOM 59 N LEU X 5 70.257 -13.068 4.908 1.00 1.00 N ATOM 60 CA LEU X 5 71.207 -12.721 6.002 1.00 1.00 C ATOM 61 C LEU X 5 72.014 -13.962 6.390 1.00 1.00 C ATOM 62 O LEU X 5 71.668 -14.678 7.309 1.00 1.00 O ATOM 63 CB LEU X 5 70.424 -12.219 7.218 1.00 1.00 C ATOM 64 CG LEU X 5 69.803 -10.859 6.900 1.00 1.00 C ATOM 65 CD1 LEU X 5 68.868 -10.447 8.038 1.00 1.00 C ATOM 66 CD2 LEU X 5 70.913 -9.815 6.751 1.00 1.00 C ATOM 0 H LEU X 5 69.278 -12.857 5.100 1.00 1.00 H new ATOM 0 HA LEU X 5 71.886 -11.940 5.660 1.00 1.00 H new ATOM 0 HB2 LEU X 5 69.644 -12.934 7.482 1.00 1.00 H new ATOM 0 HB3 LEU X 5 71.085 -12.136 8.080 1.00 1.00 H new ATOM 0 HG LEU X 5 69.238 -10.926 5.970 1.00 1.00 H new ATOM 0 HD11 LEU X 5 68.425 -9.477 7.812 1.00 1.00 H new ATOM 0 HD12 LEU X 5 68.078 -11.190 8.147 1.00 1.00 H new ATOM 0 HD13 LEU X 5 69.434 -10.380 8.967 1.00 1.00 H new ATOM 0 HD21 LEU X 5 70.472 -8.845 6.524 1.00 1.00 H new ATOM 0 HD22 LEU X 5 71.477 -9.749 7.681 1.00 1.00 H new ATOM 0 HD23 LEU X 5 71.581 -10.108 5.941 1.00 1.00 H new ATOM 78 N SER X 6 73.090 -14.221 5.698 1.00 1.00 N ATOM 79 CA SER X 6 73.927 -15.407 6.034 1.00 1.00 C ATOM 80 C SER X 6 74.855 -15.066 7.201 1.00 1.00 C ATOM 81 O SER X 6 74.952 -13.929 7.618 1.00 1.00 O ATOM 82 CB SER X 6 74.764 -15.801 4.817 1.00 1.00 C ATOM 83 OG SER X 6 75.942 -15.008 4.780 1.00 1.00 O ATOM 0 H SER X 6 73.426 -13.662 4.914 1.00 1.00 H new ATOM 0 HA SER X 6 73.280 -16.238 6.316 1.00 1.00 H new ATOM 0 HB2 SER X 6 75.025 -16.858 4.868 1.00 1.00 H new ATOM 0 HB3 SER X 6 74.187 -15.659 3.903 1.00 1.00 H new ATOM 0 HG SER X 6 76.481 -15.260 4.001 1.00 1.00 H new ATOM 89 N GLN X 7 75.540 -16.042 7.733 1.00 1.00 N ATOM 90 CA GLN X 7 76.460 -15.771 8.873 1.00 1.00 C ATOM 91 C GLN X 7 77.447 -14.671 8.480 1.00 1.00 C ATOM 92 O GLN X 7 77.691 -13.746 9.229 1.00 1.00 O ATOM 93 CB GLN X 7 77.230 -17.046 9.224 1.00 1.00 C ATOM 94 CG GLN X 7 76.263 -18.092 9.785 1.00 1.00 C ATOM 95 CD GLN X 7 77.020 -19.392 10.063 1.00 1.00 C ATOM 96 OE1 GLN X 7 77.805 -19.837 9.249 1.00 1.00 O ATOM 97 NE2 GLN X 7 76.816 -20.024 11.186 1.00 1.00 N ATOM 0 H GLN X 7 75.502 -17.014 7.427 1.00 1.00 H new ATOM 0 HA GLN X 7 75.881 -15.448 9.738 1.00 1.00 H new ATOM 0 HB2 GLN X 7 77.730 -17.437 8.338 1.00 1.00 H new ATOM 0 HB3 GLN X 7 78.006 -16.824 9.956 1.00 1.00 H new ATOM 0 HG2 GLN X 7 75.804 -17.723 10.702 1.00 1.00 H new ATOM 0 HG3 GLN X 7 75.456 -18.274 9.075 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.157 -19.650 11.869 1.00 1.00 H new ATOM 0 HE22 GLN X 7 77.315 -20.892 11.381 1.00 1.00 H new ATOM 106 N HIS X 8 78.018 -14.762 7.311 1.00 1.00 N ATOM 107 CA HIS X 8 78.995 -13.727 6.873 1.00 1.00 C ATOM 108 C HIS X 8 78.273 -12.391 6.684 1.00 1.00 C ATOM 109 O HIS X 8 78.770 -11.347 7.060 1.00 1.00 O ATOM 110 CB HIS X 8 79.631 -14.153 5.548 1.00 1.00 C ATOM 111 CG HIS X 8 80.640 -13.122 5.122 1.00 1.00 C ATOM 112 ND1 HIS X 8 81.941 -13.115 5.605 1.00 1.00 N ATOM 113 CD2 HIS X 8 80.556 -12.058 4.258 1.00 1.00 C ATOM 114 CE1 HIS X 8 82.581 -12.078 5.034 1.00 1.00 C ATOM 115 NE2 HIS X 8 81.782 -11.404 4.207 1.00 1.00 N ATOM 0 H HIS X 8 77.849 -15.510 6.639 1.00 1.00 H new ATOM 0 HA HIS X 8 79.771 -13.618 7.631 1.00 1.00 H new ATOM 0 HB2 HIS X 8 80.113 -15.124 5.659 1.00 1.00 H new ATOM 0 HB3 HIS X 8 78.863 -14.264 4.783 1.00 1.00 H new ATOM 0 HD2 HIS X 8 79.674 -11.773 3.704 1.00 1.00 H new ATOM 0 HE1 HIS X 8 83.614 -11.824 5.222 1.00 1.00 H new ATOM 0 HE2 HIS X 8 82.020 -10.581 3.653 1.00 1.00 H new ATOM 123 N GLU X 9 77.104 -12.413 6.104 1.00 1.00 N ATOM 124 CA GLU X 9 76.357 -11.142 5.887 1.00 1.00 C ATOM 125 C GLU X 9 75.944 -10.558 7.239 1.00 1.00 C ATOM 126 O GLU X 9 75.957 -9.360 7.439 1.00 1.00 O ATOM 127 CB GLU X 9 75.109 -11.422 5.047 1.00 1.00 C ATOM 128 CG GLU X 9 75.526 -11.843 3.636 1.00 1.00 C ATOM 129 CD GLU X 9 74.277 -12.083 2.786 1.00 1.00 C ATOM 130 OE1 GLU X 9 73.192 -11.806 3.270 1.00 1.00 O ATOM 131 OE2 GLU X 9 74.427 -12.540 1.665 1.00 1.00 O ATOM 0 H GLU X 9 76.635 -13.255 5.771 1.00 1.00 H new ATOM 0 HA GLU X 9 76.994 -10.429 5.363 1.00 1.00 H new ATOM 0 HB2 GLU X 9 74.514 -12.208 5.512 1.00 1.00 H new ATOM 0 HB3 GLU X 9 74.481 -10.532 5.002 1.00 1.00 H new ATOM 0 HG2 GLU X 9 76.145 -11.069 3.182 1.00 1.00 H new ATOM 0 HG3 GLU X 9 76.130 -12.750 3.679 1.00 1.00 H new ATOM 138 N ARG X 10 75.579 -11.396 8.170 1.00 1.00 N ATOM 139 CA ARG X 10 75.164 -10.892 9.509 1.00 1.00 C ATOM 140 C ARG X 10 76.385 -10.350 10.255 1.00 1.00 C ATOM 141 O ARG X 10 76.309 -9.357 10.951 1.00 1.00 O ATOM 142 CB ARG X 10 74.542 -12.035 10.314 1.00 1.00 C ATOM 143 CG ARG X 10 73.162 -12.372 9.744 1.00 1.00 C ATOM 144 CD ARG X 10 72.537 -13.509 10.553 1.00 1.00 C ATOM 145 NE ARG X 10 73.260 -14.780 10.267 1.00 1.00 N ATOM 146 CZ ARG X 10 72.897 -15.886 10.858 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.897 -15.879 11.697 1.00 1.00 N ATOM 148 NH2 ARG X 10 73.531 -16.999 10.608 1.00 1.00 N ATOM 0 H ARG X 10 75.550 -12.410 8.061 1.00 1.00 H new ATOM 0 HA ARG X 10 74.432 -10.094 9.384 1.00 1.00 H new ATOM 0 HB2 ARG X 10 75.187 -12.913 10.276 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.454 -11.749 11.362 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.519 -11.492 9.777 1.00 1.00 H new ATOM 0 HG3 ARG X 10 73.251 -12.663 8.697 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.587 -13.282 11.618 1.00 1.00 H new ATOM 0 HD3 ARG X 10 71.482 -13.613 10.299 1.00 1.00 H new ATOM 0 HE ARG X 10 74.039 -14.786 9.609 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.400 -15.010 11.890 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.613 -16.743 12.159 1.00 1.00 H new ATOM 0 HH21 ARG X 10 74.311 -17.005 9.950 1.00 1.00 H new ATOM 0 HH22 ARG X 10 73.247 -17.863 11.070 1.00 1.00 H new ATOM 162 N TYR X 11 77.511 -10.996 10.116 1.00 1.00 N ATOM 163 CA TYR X 11 78.731 -10.524 10.831 1.00 1.00 C ATOM 164 C TYR X 11 79.071 -9.104 10.375 1.00 1.00 C ATOM 165 O TYR X 11 79.288 -8.219 11.179 1.00 1.00 O ATOM 166 CB TYR X 11 79.902 -11.456 10.511 1.00 1.00 C ATOM 167 CG TYR X 11 81.158 -10.925 11.162 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.371 -11.118 12.532 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.109 -10.242 10.394 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.535 -10.627 13.135 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.273 -9.752 10.998 1.00 1.00 C ATOM 172 CZ TYR X 11 83.486 -9.944 12.369 1.00 1.00 C ATOM 173 OH TYR X 11 84.634 -9.461 12.963 1.00 1.00 O ATOM 0 H TYR X 11 77.639 -11.828 9.540 1.00 1.00 H new ATOM 0 HA TYR X 11 78.547 -10.527 11.905 1.00 1.00 H new ATOM 0 HB2 TYR X 11 79.689 -12.462 10.872 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.040 -11.527 9.432 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.637 -11.646 13.124 1.00 1.00 H new ATOM 0 HD2 TYR X 11 81.945 -10.093 9.337 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.699 -10.775 14.192 1.00 1.00 H new ATOM 0 HE2 TYR X 11 84.007 -9.226 10.406 1.00 1.00 H new ATOM 0 HH TYR X 11 85.188 -9.014 12.289 1.00 1.00 H new ATOM 183 N VAL X 12 79.120 -8.877 9.090 1.00 1.00 N ATOM 184 CA VAL X 12 79.452 -7.514 8.588 1.00 1.00 C ATOM 185 C VAL X 12 78.313 -6.555 8.934 1.00 1.00 C ATOM 186 O VAL X 12 78.513 -5.369 9.096 1.00 1.00 O ATOM 187 CB VAL X 12 79.634 -7.558 7.071 1.00 1.00 C ATOM 188 CG1 VAL X 12 80.826 -8.452 6.725 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.368 -8.127 6.423 1.00 1.00 C ATOM 0 H VAL X 12 78.945 -9.576 8.368 1.00 1.00 H new ATOM 0 HA VAL X 12 80.375 -7.170 9.055 1.00 1.00 H new ATOM 0 HB VAL X 12 79.815 -6.550 6.698 1.00 1.00 H new ATOM 0 HG11 VAL X 12 80.955 -8.483 5.643 1.00 1.00 H new ATOM 0 HG12 VAL X 12 81.728 -8.051 7.187 1.00 1.00 H new ATOM 0 HG13 VAL X 12 80.645 -9.460 7.098 1.00 1.00 H new ATOM 0 HG21 VAL X 12 78.496 -8.159 5.341 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.189 -9.135 6.797 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.517 -7.492 6.669 1.00 1.00 H new ATOM 199 N GLU X 13 77.116 -7.063 9.050 1.00 1.00 N ATOM 200 CA GLU X 13 75.964 -6.181 9.382 1.00 1.00 C ATOM 201 C GLU X 13 76.141 -5.625 10.795 1.00 1.00 C ATOM 202 O GLU X 13 75.872 -4.470 11.057 1.00 1.00 O ATOM 203 CB GLU X 13 74.665 -6.985 9.309 1.00 1.00 C ATOM 204 CG GLU X 13 73.473 -6.051 9.529 1.00 1.00 C ATOM 205 CD GLU X 13 72.171 -6.845 9.402 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.238 -8.063 9.425 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.129 -6.221 9.287 1.00 1.00 O ATOM 0 H GLU X 13 76.888 -8.050 8.929 1.00 1.00 H new ATOM 0 HA GLU X 13 75.920 -5.358 8.669 1.00 1.00 H new ATOM 0 HB2 GLU X 13 74.582 -7.475 8.339 1.00 1.00 H new ATOM 0 HB3 GLU X 13 74.669 -7.771 10.064 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.536 -5.590 10.515 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.491 -5.243 8.798 1.00 1.00 H new ATOM 214 N GLN X 14 76.594 -6.438 11.713 1.00 1.00 N ATOM 215 CA GLN X 14 76.792 -5.943 13.103 1.00 1.00 C ATOM 216 C GLN X 14 77.912 -4.904 13.104 1.00 1.00 C ATOM 217 O GLN X 14 77.851 -3.911 13.801 1.00 1.00 O ATOM 218 CB GLN X 14 77.180 -7.113 14.012 1.00 1.00 C ATOM 219 CG GLN X 14 77.226 -6.638 15.465 1.00 1.00 C ATOM 220 CD GLN X 14 75.815 -6.262 15.924 1.00 1.00 C ATOM 221 OE1 GLN X 14 74.858 -6.936 15.599 1.00 1.00 O ATOM 222 NE2 GLN X 14 75.645 -5.207 16.672 1.00 1.00 N ATOM 0 H GLN X 14 76.834 -7.418 11.560 1.00 1.00 H new ATOM 0 HA GLN X 14 75.870 -5.493 13.470 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.459 -7.924 13.906 1.00 1.00 H new ATOM 0 HB3 GLN X 14 78.152 -7.510 13.717 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.630 -7.424 16.103 1.00 1.00 H new ATOM 0 HG3 GLN X 14 77.891 -5.779 15.557 1.00 1.00 H new ATOM 0 HE21 GLN X 14 76.448 -4.641 16.945 1.00 1.00 H new ATOM 0 HE22 GLN X 14 74.709 -4.948 16.984 1.00 1.00 H new ATOM 231 N LEU X 15 78.943 -5.131 12.337 1.00 1.00 N ATOM 232 CA LEU X 15 80.067 -4.157 12.302 1.00 1.00 C ATOM 233 C LEU X 15 79.546 -2.820 11.774 1.00 1.00 C ATOM 234 O LEU X 15 79.904 -1.765 12.260 1.00 1.00 O ATOM 235 CB LEU X 15 81.167 -4.679 11.376 1.00 1.00 C ATOM 236 CG LEU X 15 82.261 -3.619 11.235 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.799 -3.255 12.620 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.398 -4.174 10.375 1.00 1.00 C ATOM 0 H LEU X 15 79.054 -5.947 11.735 1.00 1.00 H new ATOM 0 HA LEU X 15 80.475 -4.026 13.304 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.588 -5.600 11.778 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.750 -4.919 10.398 1.00 1.00 H new ATOM 0 HG LEU X 15 81.848 -2.729 10.761 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.579 -2.500 12.521 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.988 -2.861 13.233 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.214 -4.144 13.094 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.179 -3.420 10.273 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.812 -5.064 10.850 1.00 1.00 H new ATOM 0 HD23 LEU X 15 83.014 -4.434 9.389 1.00 1.00 H new ATOM 250 N LYS X 16 78.700 -2.860 10.781 1.00 1.00 N ATOM 251 CA LYS X 16 78.150 -1.597 10.213 1.00 1.00 C ATOM 252 C LYS X 16 77.368 -0.850 11.293 1.00 1.00 C ATOM 253 O LYS X 16 77.417 0.361 11.382 1.00 1.00 O ATOM 254 CB LYS X 16 77.219 -1.926 9.045 1.00 1.00 C ATOM 255 CG LYS X 16 76.755 -0.627 8.381 1.00 1.00 C ATOM 256 CD LYS X 16 75.851 -0.957 7.193 1.00 1.00 C ATOM 257 CE LYS X 16 75.401 0.340 6.517 1.00 1.00 C ATOM 258 NZ LYS X 16 74.569 0.015 5.325 1.00 1.00 N ATOM 0 H LYS X 16 78.365 -3.715 10.338 1.00 1.00 H new ATOM 0 HA LYS X 16 78.969 -0.971 9.859 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.736 -2.553 8.319 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.359 -2.493 9.400 1.00 1.00 H new ATOM 0 HG2 LYS X 16 76.217 -0.010 9.101 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.617 -0.049 8.047 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.385 -1.585 6.480 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.983 -1.524 7.530 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.830 0.949 7.218 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.269 0.928 6.219 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.084 0.874 4.995 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.178 -0.352 4.566 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.863 -0.704 5.580 1.00 1.00 H new ATOM 272 N GLN X 17 76.647 -1.560 12.117 1.00 1.00 N ATOM 273 CA GLN X 17 75.872 -0.884 13.193 1.00 1.00 C ATOM 274 C GLN X 17 76.830 -0.074 14.068 1.00 1.00 C ATOM 275 O GLN X 17 76.580 1.071 14.385 1.00 1.00 O ATOM 276 CB GLN X 17 75.162 -1.934 14.050 1.00 1.00 C ATOM 277 CG GLN X 17 74.058 -2.602 13.227 1.00 1.00 C ATOM 278 CD GLN X 17 73.409 -3.716 14.052 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.730 -3.897 15.210 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.504 -4.476 13.500 1.00 1.00 N ATOM 0 H GLN X 17 76.562 -2.576 12.091 1.00 1.00 H new ATOM 0 HA GLN X 17 75.130 -0.221 12.748 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.877 -2.682 14.394 1.00 1.00 H new ATOM 0 HB3 GLN X 17 74.736 -1.467 14.938 1.00 1.00 H new ATOM 0 HG2 GLN X 17 73.309 -1.865 12.938 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.473 -3.012 12.306 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.234 -4.324 12.528 1.00 1.00 H new ATOM 0 HE22 GLN X 17 72.066 -5.222 14.040 1.00 1.00 H new ATOM 289 N ALA X 18 77.928 -0.664 14.459 1.00 1.00 N ATOM 290 CA ALA X 18 78.912 0.074 15.297 1.00 1.00 C ATOM 291 C ALA X 18 79.446 1.274 14.516 1.00 1.00 C ATOM 292 O ALA X 18 79.712 2.321 15.072 1.00 1.00 O ATOM 293 CB ALA X 18 80.073 -0.856 15.660 1.00 1.00 C ATOM 0 H ALA X 18 78.184 -1.625 14.233 1.00 1.00 H new ATOM 0 HA ALA X 18 78.426 0.420 16.209 1.00 1.00 H new ATOM 0 HB1 ALA X 18 80.794 -0.316 16.274 1.00 1.00 H new ATOM 0 HB2 ALA X 18 79.693 -1.713 16.216 1.00 1.00 H new ATOM 0 HB3 ALA X 18 80.560 -1.203 14.749 1.00 1.00 H new ATOM 299 N LEU X 19 79.606 1.132 13.229 1.00 1.00 N ATOM 300 CA LEU X 19 80.120 2.267 12.415 1.00 1.00 C ATOM 301 C LEU X 19 79.122 3.426 12.477 1.00 1.00 C ATOM 302 O LEU X 19 79.498 4.579 12.552 1.00 1.00 O ATOM 303 CB LEU X 19 80.293 1.820 10.962 1.00 1.00 C ATOM 304 CG LEU X 19 81.450 0.824 10.867 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.504 0.232 9.457 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.767 1.545 11.165 1.00 1.00 C ATOM 0 H LEU X 19 79.403 0.279 12.707 1.00 1.00 H new ATOM 0 HA LEU X 19 81.083 2.591 12.809 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.373 1.360 10.600 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.490 2.683 10.326 1.00 1.00 H new ATOM 0 HG LEU X 19 81.298 0.023 11.591 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.329 -0.477 9.392 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.567 -0.281 9.242 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.655 1.032 8.732 1.00 1.00 H new ATOM 0 HD21 LEU X 19 83.593 0.837 11.098 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.916 2.346 10.440 1.00 1.00 H new ATOM 0 HD23 LEU X 19 82.732 1.967 12.169 1.00 1.00 H new ATOM 318 N LYS X 20 77.852 3.128 12.450 1.00 1.00 N ATOM 319 CA LYS X 20 76.832 4.210 12.524 1.00 1.00 C ATOM 320 C LYS X 20 77.020 4.992 13.825 1.00 1.00 C ATOM 321 O LYS X 20 76.992 6.206 13.842 1.00 1.00 O ATOM 322 CB LYS X 20 75.432 3.593 12.497 1.00 1.00 C ATOM 323 CG LYS X 20 75.163 2.999 11.113 1.00 1.00 C ATOM 324 CD LYS X 20 73.780 2.345 11.097 1.00 1.00 C ATOM 325 CE LYS X 20 73.486 1.806 9.695 1.00 1.00 C ATOM 326 NZ LYS X 20 72.104 1.250 9.658 1.00 1.00 N ATOM 0 H LYS X 20 77.477 2.182 12.380 1.00 1.00 H new ATOM 0 HA LYS X 20 76.948 4.882 11.674 1.00 1.00 H new ATOM 0 HB2 LYS X 20 75.350 2.818 13.259 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.684 4.351 12.731 1.00 1.00 H new ATOM 0 HG2 LYS X 20 75.216 3.780 10.354 1.00 1.00 H new ATOM 0 HG3 LYS X 20 75.928 2.262 10.867 1.00 1.00 H new ATOM 0 HD2 LYS X 20 73.741 1.535 11.825 1.00 1.00 H new ATOM 0 HD3 LYS X 20 73.020 3.071 11.386 1.00 1.00 H new ATOM 0 HE2 LYS X 20 73.589 2.603 8.958 1.00 1.00 H new ATOM 0 HE3 LYS X 20 74.208 1.033 9.432 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 72.024 0.572 8.874 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.900 0.767 10.556 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 71.422 2.023 9.518 1.00 1.00 H new ATOM 340 N THR X 21 77.215 4.302 14.916 1.00 1.00 N ATOM 341 CA THR X 21 77.414 5.003 16.215 1.00 1.00 C ATOM 342 C THR X 21 78.590 5.974 16.090 1.00 1.00 C ATOM 343 O THR X 21 78.556 7.074 16.602 1.00 1.00 O ATOM 344 CB THR X 21 77.713 3.975 17.308 1.00 1.00 C ATOM 345 OG1 THR X 21 76.753 2.931 17.246 1.00 1.00 O ATOM 346 CG2 THR X 21 77.648 4.651 18.678 1.00 1.00 C ATOM 0 H THR X 21 77.245 3.284 14.963 1.00 1.00 H new ATOM 0 HA THR X 21 76.511 5.555 16.475 1.00 1.00 H new ATOM 0 HB THR X 21 78.710 3.562 17.158 1.00 1.00 H new ATOM 0 HG1 THR X 21 76.943 2.270 17.944 1.00 1.00 H new ATOM 0 HG21 THR X 21 77.861 3.918 19.456 1.00 1.00 H new ATOM 0 HG22 THR X 21 78.385 5.453 18.723 1.00 1.00 H new ATOM 0 HG23 THR X 21 76.652 5.065 18.833 1.00 1.00 H new ATOM 354 N ARG X 22 79.631 5.575 15.411 1.00 1.00 N ATOM 355 CA ARG X 22 80.804 6.479 15.250 1.00 1.00 C ATOM 356 C ARG X 22 80.415 7.653 14.352 1.00 1.00 C ATOM 357 O ARG X 22 81.085 8.666 14.314 1.00 1.00 O ATOM 358 CB ARG X 22 81.958 5.706 14.608 1.00 1.00 C ATOM 359 CG ARG X 22 82.442 4.620 15.571 1.00 1.00 C ATOM 360 CD ARG X 22 83.609 3.860 14.939 1.00 1.00 C ATOM 361 NE ARG X 22 84.106 2.827 15.892 1.00 1.00 N ATOM 362 CZ ARG X 22 83.547 1.648 15.927 1.00 1.00 C ATOM 363 NH1 ARG X 22 82.549 1.373 15.132 1.00 1.00 N ATOM 364 NH2 ARG X 22 83.986 0.743 16.759 1.00 1.00 N ATOM 0 H ARG X 22 79.719 4.664 14.962 1.00 1.00 H new ATOM 0 HA ARG X 22 81.116 6.852 16.225 1.00 1.00 H new ATOM 0 HB2 ARG X 22 81.632 5.256 13.670 1.00 1.00 H new ATOM 0 HB3 ARG X 22 82.776 6.385 14.368 1.00 1.00 H new ATOM 0 HG2 ARG X 22 82.754 5.068 16.514 1.00 1.00 H new ATOM 0 HG3 ARG X 22 81.628 3.932 15.799 1.00 1.00 H new ATOM 0 HD2 ARG X 22 83.289 3.388 14.010 1.00 1.00 H new ATOM 0 HD3 ARG X 22 84.412 4.552 14.685 1.00 1.00 H new ATOM 0 HE ARG X 22 84.883 3.042 16.517 1.00 1.00 H new ATOM 0 HH11 ARG X 22 82.205 2.080 14.482 1.00 1.00 H new ATOM 0 HH12 ARG X 22 82.113 0.451 15.161 1.00 1.00 H new ATOM 0 HH21 ARG X 22 84.765 0.957 17.381 1.00 1.00 H new ATOM 0 HH22 ARG X 22 83.550 -0.179 16.787 1.00 1.00 H new ATOM 378 N GLY X 23 79.341 7.525 13.624 1.00 1.00 N ATOM 379 CA GLY X 23 78.916 8.636 12.726 1.00 1.00 C ATOM 380 C GLY X 23 79.151 8.227 11.271 1.00 1.00 C ATOM 381 O GLY X 23 79.774 8.938 10.509 1.00 1.00 O ATOM 0 H GLY X 23 78.740 6.701 13.611 1.00 1.00 H new ATOM 0 HA2 GLY X 23 77.862 8.866 12.886 1.00 1.00 H new ATOM 0 HA3 GLY X 23 79.478 9.541 12.957 1.00 1.00 H new ATOM 385 N VAL X 24 78.654 7.084 10.880 1.00 1.00 N ATOM 386 CA VAL X 24 78.854 6.625 9.477 1.00 1.00 C ATOM 387 C VAL X 24 77.493 6.378 8.825 1.00 1.00 C ATOM 388 O VAL X 24 76.603 5.807 9.422 1.00 1.00 O ATOM 389 CB VAL X 24 79.662 5.327 9.476 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.628 4.705 8.079 1.00 1.00 C ATOM 391 CG2 VAL X 24 81.112 5.631 9.861 1.00 1.00 C ATOM 0 H VAL X 24 78.118 6.449 11.472 1.00 1.00 H new ATOM 0 HA VAL X 24 79.393 7.389 8.917 1.00 1.00 H new ATOM 0 HB VAL X 24 79.231 4.630 10.195 1.00 1.00 H new ATOM 0 HG11 VAL X 24 80.204 3.780 8.079 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.596 4.490 7.801 1.00 1.00 H new ATOM 0 HG13 VAL X 24 80.060 5.401 7.360 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.690 4.707 9.861 1.00 1.00 H new ATOM 0 HG22 VAL X 24 81.541 6.327 9.141 1.00 1.00 H new ATOM 0 HG23 VAL X 24 81.139 6.076 10.856 1.00 1.00 H new ATOM 401 N LYS X 25 77.322 6.805 7.604 1.00 1.00 N ATOM 402 CA LYS X 25 76.016 6.594 6.921 1.00 1.00 C ATOM 403 C LYS X 25 76.268 6.112 5.491 1.00 1.00 C ATOM 404 O LYS X 25 76.362 6.898 4.569 1.00 1.00 O ATOM 405 CB LYS X 25 75.240 7.912 6.887 1.00 1.00 C ATOM 406 CG LYS X 25 74.808 8.287 8.306 1.00 1.00 C ATOM 407 CD LYS X 25 74.017 9.596 8.270 1.00 1.00 C ATOM 408 CE LYS X 25 73.536 9.941 9.681 1.00 1.00 C ATOM 409 NZ LYS X 25 72.722 11.189 9.638 1.00 1.00 N ATOM 0 H LYS X 25 78.029 7.290 7.051 1.00 1.00 H new ATOM 0 HA LYS X 25 75.435 5.847 7.462 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.862 8.701 6.464 1.00 1.00 H new ATOM 0 HB3 LYS X 25 74.366 7.815 6.243 1.00 1.00 H new ATOM 0 HG2 LYS X 25 74.197 7.492 8.733 1.00 1.00 H new ATOM 0 HG3 LYS X 25 75.683 8.396 8.947 1.00 1.00 H new ATOM 0 HD2 LYS X 25 74.642 10.400 7.881 1.00 1.00 H new ATOM 0 HD3 LYS X 25 73.165 9.500 7.597 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.942 9.121 10.085 1.00 1.00 H new ATOM 0 HE3 LYS X 25 74.390 10.074 10.345 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 72.395 11.423 10.597 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 73.302 11.969 9.270 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 71.900 11.046 9.017 1.00 1.00 H new ATOM 423 N VAL X 26 76.382 4.826 5.302 1.00 1.00 N ATOM 424 CA VAL X 26 76.627 4.293 3.932 1.00 1.00 C ATOM 425 C VAL X 26 75.605 3.198 3.624 1.00 1.00 C ATOM 426 O VAL X 26 74.940 2.689 4.505 1.00 1.00 O ATOM 427 CB VAL X 26 78.040 3.712 3.856 1.00 1.00 C ATOM 428 CG1 VAL X 26 79.063 4.813 4.144 1.00 1.00 C ATOM 429 CG2 VAL X 26 78.186 2.596 4.891 1.00 1.00 C ATOM 0 H VAL X 26 76.316 4.122 6.037 1.00 1.00 H new ATOM 0 HA VAL X 26 76.528 5.098 3.204 1.00 1.00 H new ATOM 0 HB VAL X 26 78.214 3.309 2.858 1.00 1.00 H new ATOM 0 HG11 VAL X 26 80.069 4.398 4.090 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.958 5.609 3.407 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.891 5.218 5.141 1.00 1.00 H new ATOM 0 HG21 VAL X 26 79.192 2.180 4.839 1.00 1.00 H new ATOM 0 HG22 VAL X 26 78.012 3.000 5.888 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.458 1.811 4.685 1.00 1.00 H new ATOM 439 N LYS X 27 75.475 2.831 2.379 1.00 1.00 N ATOM 440 CA LYS X 27 74.495 1.771 2.012 1.00 1.00 C ATOM 441 C LYS X 27 75.064 0.401 2.383 1.00 1.00 C ATOM 442 O LYS X 27 76.262 0.211 2.443 1.00 1.00 O ATOM 443 CB LYS X 27 74.227 1.822 0.506 1.00 1.00 C ATOM 444 CG LYS X 27 73.545 3.144 0.151 1.00 1.00 C ATOM 445 CD LYS X 27 73.325 3.217 -1.361 1.00 1.00 C ATOM 446 CE LYS X 27 72.690 4.562 -1.721 1.00 1.00 C ATOM 447 NZ LYS X 27 72.515 4.650 -3.198 1.00 1.00 N ATOM 0 H LYS X 27 76.006 3.220 1.600 1.00 1.00 H new ATOM 0 HA LYS X 27 73.563 1.936 2.552 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.163 1.725 -0.044 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.595 0.984 0.210 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.591 3.224 0.672 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.159 3.982 0.480 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.275 3.100 -1.883 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.680 2.400 -1.685 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.726 4.666 -1.223 1.00 1.00 H new ATOM 0 HE3 LYS X 27 73.320 5.379 -1.369 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 72.083 5.564 -3.443 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.442 4.569 -3.663 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.897 3.878 -3.521 1.00 1.00 H new ATOM 461 N TYR X 28 74.213 -0.557 2.633 1.00 1.00 N ATOM 462 CA TYR X 28 74.709 -1.914 2.995 1.00 1.00 C ATOM 463 C TYR X 28 75.534 -2.476 1.835 1.00 1.00 C ATOM 464 O TYR X 28 76.508 -3.174 2.034 1.00 1.00 O ATOM 465 CB TYR X 28 73.520 -2.836 3.273 1.00 1.00 C ATOM 466 CG TYR X 28 72.738 -2.311 4.453 1.00 1.00 C ATOM 467 CD1 TYR X 28 73.144 -2.623 5.756 1.00 1.00 C ATOM 468 CD2 TYR X 28 71.606 -1.514 4.244 1.00 1.00 C ATOM 469 CE1 TYR X 28 72.418 -2.136 6.851 1.00 1.00 C ATOM 470 CE2 TYR X 28 70.881 -1.027 5.340 1.00 1.00 C ATOM 471 CZ TYR X 28 71.287 -1.339 6.642 1.00 1.00 C ATOM 472 OH TYR X 28 70.572 -0.859 7.721 1.00 1.00 O ATOM 0 H TYR X 28 73.198 -0.458 2.602 1.00 1.00 H new ATOM 0 HA TYR X 28 75.331 -1.850 3.888 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.878 -2.893 2.394 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.871 -3.848 3.477 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.016 -3.239 5.917 1.00 1.00 H new ATOM 0 HD2 TYR X 28 71.292 -1.275 3.239 1.00 1.00 H new ATOM 0 HE1 TYR X 28 72.731 -2.376 7.856 1.00 1.00 H new ATOM 0 HE2 TYR X 28 70.009 -0.411 5.180 1.00 1.00 H new ATOM 0 HH TYR X 28 69.817 -0.322 7.401 1.00 1.00 H new ATOM 482 N ALA X 29 75.149 -2.175 0.625 1.00 1.00 N ATOM 483 CA ALA X 29 75.921 -2.675 -0.548 1.00 1.00 C ATOM 484 C ALA X 29 77.364 -2.179 -0.456 1.00 1.00 C ATOM 485 O ALA X 29 78.288 -2.845 -0.880 1.00 1.00 O ATOM 486 CB ALA X 29 75.283 -2.152 -1.838 1.00 1.00 C ATOM 0 H ALA X 29 74.334 -1.605 0.398 1.00 1.00 H new ATOM 0 HA ALA X 29 75.911 -3.765 -0.553 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.847 -2.517 -2.697 1.00 1.00 H new ATOM 0 HB2 ALA X 29 74.254 -2.504 -1.903 1.00 1.00 H new ATOM 0 HB3 ALA X 29 75.294 -1.062 -1.833 1.00 1.00 H new ATOM 492 N ASP X 30 77.567 -1.013 0.093 1.00 1.00 N ATOM 493 CA ASP X 30 78.952 -0.477 0.212 1.00 1.00 C ATOM 494 C ASP X 30 79.807 -1.453 1.022 1.00 1.00 C ATOM 495 O ASP X 30 80.924 -1.763 0.657 1.00 1.00 O ATOM 496 CB ASP X 30 78.916 0.878 0.921 1.00 1.00 C ATOM 497 CG ASP X 30 80.343 1.405 1.086 1.00 1.00 C ATOM 498 OD1 ASP X 30 81.250 0.770 0.576 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.503 2.435 1.721 1.00 1.00 O ATOM 0 H ASP X 30 76.834 -0.409 0.464 1.00 1.00 H new ATOM 0 HA ASP X 30 79.381 -0.355 -0.782 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.320 1.586 0.345 1.00 1.00 H new ATOM 0 HB3 ASP X 30 78.439 0.778 1.896 1.00 1.00 H new ATOM 504 N LEU X 31 79.291 -1.941 2.115 1.00 1.00 N ATOM 505 CA LEU X 31 80.077 -2.894 2.948 1.00 1.00 C ATOM 506 C LEU X 31 80.356 -4.164 2.141 1.00 1.00 C ATOM 507 O LEU X 31 81.458 -4.672 2.127 1.00 1.00 O ATOM 508 CB LEU X 31 79.280 -3.252 4.204 1.00 1.00 C ATOM 509 CG LEU X 31 79.452 -2.150 5.250 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.895 -2.152 5.762 1.00 1.00 C ATOM 511 CD2 LEU X 31 79.139 -0.793 4.616 1.00 1.00 C ATOM 0 H LEU X 31 78.359 -1.722 2.468 1.00 1.00 H new ATOM 0 HA LEU X 31 81.021 -2.432 3.237 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.225 -3.371 3.956 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.623 -4.206 4.605 1.00 1.00 H new ATOM 0 HG LEU X 31 78.771 -2.329 6.082 1.00 1.00 H new ATOM 0 HD11 LEU X 31 81.018 -1.366 6.508 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.120 -3.119 6.213 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.576 -1.972 4.930 1.00 1.00 H new ATOM 0 HD21 LEU X 31 79.261 -0.007 5.361 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.820 -0.614 3.784 1.00 1.00 H new ATOM 0 HD23 LEU X 31 78.112 -0.790 4.251 1.00 1.00 H new ATOM 523 N LEU X 32 79.363 -4.679 1.470 1.00 1.00 N ATOM 524 CA LEU X 32 79.570 -5.915 0.663 1.00 1.00 C ATOM 525 C LEU X 32 80.559 -5.624 -0.468 1.00 1.00 C ATOM 526 O LEU X 32 81.451 -6.402 -0.739 1.00 1.00 O ATOM 527 CB LEU X 32 78.234 -6.367 0.070 1.00 1.00 C ATOM 528 CG LEU X 32 77.304 -6.824 1.195 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.909 -7.095 0.627 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.856 -8.106 1.822 1.00 1.00 C ATOM 0 H LEU X 32 78.417 -4.298 1.445 1.00 1.00 H new ATOM 0 HA LEU X 32 79.969 -6.704 1.301 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.775 -5.549 -0.485 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.395 -7.181 -0.637 1.00 1.00 H new ATOM 0 HG LEU X 32 77.242 -6.044 1.954 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.247 -7.421 1.429 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.515 -6.183 0.179 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.970 -7.875 -0.132 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.194 -8.433 2.624 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.918 -8.885 1.062 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.850 -7.914 2.227 1.00 1.00 H new ATOM 542 N LYS X 33 80.409 -4.509 -1.128 1.00 1.00 N ATOM 543 CA LYS X 33 81.336 -4.177 -2.247 1.00 1.00 C ATOM 544 C LYS X 33 82.726 -3.877 -1.683 1.00 1.00 C ATOM 545 O LYS X 33 83.732 -4.160 -2.302 1.00 1.00 O ATOM 546 CB LYS X 33 80.812 -2.951 -2.999 1.00 1.00 C ATOM 547 CG LYS X 33 79.513 -3.311 -3.721 1.00 1.00 C ATOM 548 CD LYS X 33 78.921 -2.056 -4.366 1.00 1.00 C ATOM 549 CE LYS X 33 77.611 -2.410 -5.071 1.00 1.00 C ATOM 550 NZ LYS X 33 77.017 -1.180 -5.666 1.00 1.00 N ATOM 0 H LYS X 33 79.686 -3.814 -0.942 1.00 1.00 H new ATOM 0 HA LYS X 33 81.397 -5.022 -2.933 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.638 -2.131 -2.302 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.556 -2.606 -3.717 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.705 -4.067 -4.482 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.801 -3.741 -3.017 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.743 -1.294 -3.607 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.628 -1.634 -5.081 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.793 -3.151 -5.849 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.914 -2.857 -4.362 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.223 -1.442 -6.285 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.674 -0.558 -4.907 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.739 -0.680 -6.223 1.00 1.00 H new ATOM 564 N PHE X 34 82.791 -3.304 -0.511 1.00 1.00 N ATOM 565 CA PHE X 34 84.116 -2.982 0.088 1.00 1.00 C ATOM 566 C PHE X 34 84.934 -4.266 0.235 1.00 1.00 C ATOM 567 O PHE X 34 86.087 -4.327 -0.148 1.00 1.00 O ATOM 568 CB PHE X 34 83.913 -2.346 1.465 1.00 1.00 C ATOM 569 CG PHE X 34 85.243 -2.238 2.171 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.260 -1.445 1.629 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.459 -2.930 3.369 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.494 -1.344 2.283 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.692 -2.829 4.024 1.00 1.00 C ATOM 574 CZ PHE X 34 87.709 -2.036 3.481 1.00 1.00 C ATOM 0 H PHE X 34 81.984 -3.046 0.056 1.00 1.00 H new ATOM 0 HA PHE X 34 84.647 -2.284 -0.559 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.465 -1.358 1.359 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.223 -2.947 2.057 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.093 -0.910 0.706 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.674 -3.542 3.788 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.279 -0.733 1.864 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.858 -3.363 4.948 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.660 -1.958 3.986 1.00 1.00 H new ATOM 584 N PHE X 35 84.350 -5.292 0.789 1.00 1.00 N ATOM 585 CA PHE X 35 85.098 -6.568 0.967 1.00 1.00 C ATOM 586 C PHE X 35 85.441 -7.152 -0.405 1.00 1.00 C ATOM 587 O PHE X 35 86.531 -7.640 -0.629 1.00 1.00 O ATOM 588 CB PHE X 35 84.234 -7.564 1.741 1.00 1.00 C ATOM 589 CG PHE X 35 84.139 -7.131 3.185 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.283 -7.127 3.992 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.907 -6.733 3.717 1.00 1.00 C ATOM 592 CE1 PHE X 35 85.194 -6.726 5.330 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.817 -6.331 5.054 1.00 1.00 C ATOM 594 CZ PHE X 35 83.962 -6.328 5.862 1.00 1.00 C ATOM 0 H PHE X 35 83.387 -5.302 1.126 1.00 1.00 H new ATOM 0 HA PHE X 35 86.016 -6.376 1.522 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.239 -7.618 1.300 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.666 -8.563 1.677 1.00 1.00 H new ATOM 0 HD1 PHE X 35 86.234 -7.433 3.582 1.00 1.00 H new ATOM 0 HD2 PHE X 35 82.025 -6.736 3.094 1.00 1.00 H new ATOM 0 HE1 PHE X 35 86.077 -6.724 5.952 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.866 -6.023 5.463 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.894 -6.019 6.895 1.00 1.00 H new ATOM 604 N ASP X 36 84.516 -7.112 -1.325 1.00 1.00 N ATOM 605 CA ASP X 36 84.789 -7.671 -2.678 1.00 1.00 C ATOM 606 C ASP X 36 85.917 -6.875 -3.335 1.00 1.00 C ATOM 607 O ASP X 36 86.812 -7.432 -3.940 1.00 1.00 O ATOM 608 CB ASP X 36 83.526 -7.573 -3.537 1.00 1.00 C ATOM 609 CG ASP X 36 82.580 -8.723 -3.189 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.021 -9.648 -2.526 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.431 -8.661 -3.592 1.00 1.00 O ATOM 0 H ASP X 36 83.584 -6.717 -1.198 1.00 1.00 H new ATOM 0 HA ASP X 36 85.084 -8.717 -2.588 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.031 -6.617 -3.366 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.789 -7.612 -4.594 1.00 1.00 H new ATOM 616 N PHE X 37 85.881 -5.576 -3.220 1.00 1.00 N ATOM 617 CA PHE X 37 86.949 -4.741 -3.840 1.00 1.00 C ATOM 618 C PHE X 37 88.299 -5.090 -3.211 1.00 1.00 C ATOM 619 O PHE X 37 89.289 -5.254 -3.896 1.00 1.00 O ATOM 620 CB PHE X 37 86.642 -3.261 -3.603 1.00 1.00 C ATOM 621 CG PHE X 37 87.707 -2.414 -4.258 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.602 -2.082 -5.614 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.800 -1.959 -3.509 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.588 -1.297 -6.223 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.786 -1.173 -4.118 1.00 1.00 C ATOM 626 CZ PHE X 37 89.681 -0.842 -5.474 1.00 1.00 C ATOM 0 H PHE X 37 85.158 -5.056 -2.723 1.00 1.00 H new ATOM 0 HA PHE X 37 86.987 -4.936 -4.912 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.662 -3.012 -4.011 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.604 -3.053 -2.534 1.00 1.00 H new ATOM 0 HD1 PHE X 37 86.759 -2.432 -6.191 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.882 -2.214 -2.463 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.506 -1.042 -7.269 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.629 -0.822 -3.541 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.442 -0.236 -5.943 1.00 1.00 H new ATOM 636 N VAL X 38 88.347 -5.203 -1.913 1.00 1.00 N ATOM 637 CA VAL X 38 89.636 -5.534 -1.241 1.00 1.00 C ATOM 638 C VAL X 38 90.155 -6.876 -1.763 1.00 1.00 C ATOM 639 O VAL X 38 91.311 -7.009 -2.112 1.00 1.00 O ATOM 640 CB VAL X 38 89.413 -5.627 0.269 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.713 -6.061 0.950 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.990 -4.257 0.806 1.00 1.00 C ATOM 0 H VAL X 38 87.550 -5.081 -1.288 1.00 1.00 H new ATOM 0 HA VAL X 38 90.367 -4.754 -1.454 1.00 1.00 H new ATOM 0 HB VAL X 38 88.631 -6.358 0.477 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.555 -6.128 2.026 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.017 -7.035 0.567 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.494 -5.330 0.742 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.831 -4.321 1.882 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.773 -3.527 0.598 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.065 -3.946 0.320 1.00 1.00 H new ATOM 652 N LYS X 39 89.312 -7.870 -1.820 1.00 1.00 N ATOM 653 CA LYS X 39 89.759 -9.197 -2.331 1.00 1.00 C ATOM 654 C LYS X 39 90.097 -9.081 -3.818 1.00 1.00 C ATOM 655 O LYS X 39 91.010 -9.714 -4.309 1.00 1.00 O ATOM 656 CB LYS X 39 88.638 -10.220 -2.139 1.00 1.00 C ATOM 657 CG LYS X 39 88.398 -10.443 -0.645 1.00 1.00 C ATOM 658 CD LYS X 39 87.233 -11.417 -0.453 1.00 1.00 C ATOM 659 CE LYS X 39 86.955 -11.595 1.040 1.00 1.00 C ATOM 660 NZ LYS X 39 88.123 -12.258 1.687 1.00 1.00 N ATOM 0 H LYS X 39 88.334 -7.821 -1.535 1.00 1.00 H new ATOM 0 HA LYS X 39 90.643 -9.521 -1.782 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.724 -9.867 -2.616 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.905 -11.161 -2.619 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.299 -10.840 -0.177 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.177 -9.494 -0.156 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.343 -11.039 -0.957 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.472 -12.379 -0.906 1.00 1.00 H new ATOM 0 HE2 LYS X 39 86.770 -10.626 1.504 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.057 -12.195 1.185 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 87.838 -12.637 2.612 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 88.460 -13.035 1.083 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 88.887 -11.565 1.818 1.00 1.00 H new ATOM 674 N ASP X 40 89.364 -8.277 -4.538 1.00 1.00 N ATOM 675 CA ASP X 40 89.644 -8.112 -5.992 1.00 1.00 C ATOM 676 C ASP X 40 91.018 -7.464 -6.182 1.00 1.00 C ATOM 677 O ASP X 40 91.610 -7.542 -7.241 1.00 1.00 O ATOM 678 CB ASP X 40 88.569 -7.219 -6.617 1.00 1.00 C ATOM 679 CG ASP X 40 87.222 -7.940 -6.581 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.219 -9.138 -6.342 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.215 -7.284 -6.792 1.00 1.00 O ATOM 0 H ASP X 40 88.583 -7.727 -4.182 1.00 1.00 H new ATOM 0 HA ASP X 40 89.636 -9.089 -6.476 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.503 -6.276 -6.074 1.00 1.00 H new ATOM 0 HB3 ASP X 40 88.836 -6.976 -7.646 1.00 1.00 H new ATOM 686 N THR X 41 91.531 -6.824 -5.168 1.00 1.00 N ATOM 687 CA THR X 41 92.836 -6.118 -5.316 1.00 1.00 C ATOM 688 C THR X 41 93.887 -7.099 -5.842 1.00 1.00 C ATOM 689 O THR X 41 94.439 -6.918 -6.909 1.00 1.00 O ATOM 690 CB THR X 41 93.280 -5.575 -3.956 1.00 1.00 C ATOM 691 OG1 THR X 41 92.162 -5.007 -3.287 1.00 1.00 O ATOM 692 CG2 THR X 41 94.354 -4.504 -4.159 1.00 1.00 C ATOM 0 H THR X 41 91.104 -6.759 -4.244 1.00 1.00 H new ATOM 0 HA THR X 41 92.726 -5.291 -6.018 1.00 1.00 H new ATOM 0 HB THR X 41 93.689 -6.387 -3.355 1.00 1.00 H new ATOM 0 HG1 THR X 41 91.981 -5.511 -2.466 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.670 -4.117 -3.190 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.211 -4.941 -4.672 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.947 -3.690 -4.759 1.00 1.00 H new ATOM 700 N CYS X 42 94.168 -8.135 -5.101 1.00 1.00 N ATOM 701 CA CYS X 42 95.212 -9.105 -5.540 1.00 1.00 C ATOM 702 C CYS X 42 94.542 -10.388 -6.033 1.00 1.00 C ATOM 703 O CYS X 42 94.694 -10.780 -7.174 1.00 1.00 O ATOM 704 CB CYS X 42 96.132 -9.430 -4.362 1.00 1.00 C ATOM 705 SG CYS X 42 96.571 -11.186 -4.406 1.00 1.00 S ATOM 0 H CYS X 42 93.720 -8.352 -4.211 1.00 1.00 H new ATOM 0 HA CYS X 42 95.797 -8.668 -6.349 1.00 1.00 H new ATOM 0 HB2 CYS X 42 97.032 -8.818 -4.410 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.635 -9.192 -3.422 1.00 1.00 H new ATOM 0 HG CYS X 42 97.355 -11.463 -3.406 1.00 1.00 H new ATOM 711 N PRO X 43 93.804 -11.036 -5.174 1.00 1.00 N ATOM 712 CA PRO X 43 93.111 -12.313 -5.504 1.00 1.00 C ATOM 713 C PRO X 43 92.486 -12.289 -6.902 1.00 1.00 C ATOM 714 O PRO X 43 92.600 -13.232 -7.660 1.00 1.00 O ATOM 715 CB PRO X 43 92.026 -12.422 -4.432 1.00 1.00 C ATOM 716 CG PRO X 43 92.553 -11.669 -3.254 1.00 1.00 C ATOM 717 CD PRO X 43 93.548 -10.614 -3.788 1.00 1.00 C ATOM 0 HA PRO X 43 93.799 -13.158 -5.514 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.085 -11.997 -4.781 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.830 -13.463 -4.177 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.740 -11.189 -2.710 1.00 1.00 H new ATOM 0 HG3 PRO X 43 93.048 -12.345 -2.556 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.125 -9.610 -3.748 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.466 -10.597 -3.200 1.00 1.00 H new ATOM 725 N TRP X 44 91.827 -11.217 -7.249 1.00 1.00 N ATOM 726 CA TRP X 44 91.200 -11.130 -8.599 1.00 1.00 C ATOM 727 C TRP X 44 91.320 -9.698 -9.127 1.00 1.00 C ATOM 728 O TRP X 44 92.298 -9.018 -8.889 1.00 1.00 O ATOM 729 CB TRP X 44 89.722 -11.513 -8.499 1.00 1.00 C ATOM 730 CG TRP X 44 89.600 -12.849 -7.839 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.114 -14.004 -8.320 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.933 -13.186 -6.588 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.803 -15.030 -7.444 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.076 -14.575 -6.362 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.224 -12.428 -5.639 1.00 1.00 C ATOM 736 CZ2 TRP X 44 88.535 -15.191 -5.233 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.678 -13.045 -4.501 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.833 -14.424 -4.299 1.00 1.00 C ATOM 0 H TRP X 44 91.696 -10.398 -6.656 1.00 1.00 H new ATOM 0 HA TRP X 44 91.708 -11.812 -9.280 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.178 -10.761 -7.927 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.275 -11.543 -9.492 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.675 -14.109 -9.237 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.077 -16.003 -7.581 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.099 -11.365 -5.786 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 88.658 -16.253 -5.082 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 87.136 -12.454 -3.778 1.00 1.00 H new ATOM 0 HH2 TRP X 44 87.410 -14.893 -3.423 1.00 1.00 H new ATOM 749 N PHE X 45 90.333 -9.236 -9.844 1.00 1.00 N ATOM 750 CA PHE X 45 90.385 -7.850 -10.389 1.00 1.00 C ATOM 751 C PHE X 45 89.168 -7.594 -11.283 1.00 1.00 C ATOM 752 O PHE X 45 88.523 -6.570 -11.186 1.00 1.00 O ATOM 753 CB PHE X 45 91.664 -7.673 -11.211 1.00 1.00 C ATOM 754 CG PHE X 45 92.485 -6.546 -10.632 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.020 -5.229 -10.711 1.00 1.00 C ATOM 756 CD2 PHE X 45 93.712 -6.820 -10.014 1.00 1.00 C ATOM 757 CE1 PHE X 45 92.781 -4.183 -10.173 1.00 1.00 C ATOM 758 CE2 PHE X 45 94.473 -5.774 -9.476 1.00 1.00 C ATOM 759 CZ PHE X 45 94.008 -4.457 -9.556 1.00 1.00 C ATOM 0 H PHE X 45 89.490 -9.761 -10.077 1.00 1.00 H new ATOM 0 HA PHE X 45 90.378 -7.141 -9.562 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.242 -8.597 -11.207 1.00 1.00 H new ATOM 0 HB3 PHE X 45 91.414 -7.458 -12.250 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.074 -5.018 -11.187 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.071 -7.837 -9.952 1.00 1.00 H new ATOM 0 HE1 PHE X 45 92.422 -3.166 -10.234 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.419 -5.984 -8.999 1.00 1.00 H new ATOM 0 HZ PHE X 45 94.596 -3.651 -9.142 1.00 1.00 H new ATOM 769 N PRO X 46 88.863 -8.521 -12.149 1.00 1.00 N ATOM 770 CA PRO X 46 87.716 -8.394 -13.097 1.00 1.00 C ATOM 771 C PRO X 46 86.394 -8.111 -12.379 1.00 1.00 C ATOM 772 O PRO X 46 85.536 -7.417 -12.886 1.00 1.00 O ATOM 773 CB PRO X 46 87.659 -9.752 -13.805 1.00 1.00 C ATOM 774 CG PRO X 46 89.011 -10.360 -13.627 1.00 1.00 C ATOM 775 CD PRO X 46 89.576 -9.793 -12.321 1.00 1.00 C ATOM 0 HA PRO X 46 87.857 -7.557 -13.780 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.885 -10.386 -13.373 1.00 1.00 H new ATOM 0 HB3 PRO X 46 87.420 -9.632 -14.862 1.00 1.00 H new ATOM 0 HG2 PRO X 46 88.944 -11.447 -13.581 1.00 1.00 H new ATOM 0 HG3 PRO X 46 89.660 -10.116 -14.468 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.398 -10.467 -11.483 1.00 1.00 H new ATOM 0 HD3 PRO X 46 90.654 -9.641 -12.385 1.00 1.00 H new ATOM 783 N GLN X 47 86.220 -8.647 -11.201 1.00 1.00 N ATOM 784 CA GLN X 47 84.951 -8.416 -10.455 1.00 1.00 C ATOM 785 C GLN X 47 84.805 -6.925 -10.135 1.00 1.00 C ATOM 786 O GLN X 47 85.706 -6.303 -9.610 1.00 1.00 O ATOM 787 CB GLN X 47 84.973 -9.218 -9.153 1.00 1.00 C ATOM 788 CG GLN X 47 85.049 -10.711 -9.476 1.00 1.00 C ATOM 789 CD GLN X 47 83.791 -11.133 -10.237 1.00 1.00 C ATOM 790 OE1 GLN X 47 82.687 -10.881 -9.797 1.00 1.00 O ATOM 791 NE2 GLN X 47 83.913 -11.769 -11.370 1.00 1.00 N ATOM 0 H GLN X 47 86.903 -9.235 -10.723 1.00 1.00 H new ATOM 0 HA GLN X 47 84.108 -8.737 -11.067 1.00 1.00 H new ATOM 0 HB2 GLN X 47 85.828 -8.922 -8.546 1.00 1.00 H new ATOM 0 HB3 GLN X 47 84.078 -9.007 -8.568 1.00 1.00 H new ATOM 0 HG2 GLN X 47 85.936 -10.920 -10.074 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.142 -11.289 -8.556 1.00 1.00 H new ATOM 0 HE21 GLN X 47 84.840 -11.980 -11.739 1.00 1.00 H new ATOM 0 HE22 GLN X 47 83.081 -12.055 -11.887 1.00 1.00 H new ATOM 800 N GLU X 48 83.679 -6.347 -10.452 1.00 1.00 N ATOM 801 CA GLU X 48 83.477 -4.898 -10.168 1.00 1.00 C ATOM 802 C GLU X 48 82.014 -4.639 -9.800 1.00 1.00 C ATOM 803 O GLU X 48 81.149 -5.457 -10.042 1.00 1.00 O ATOM 804 CB GLU X 48 83.841 -4.079 -11.409 1.00 1.00 C ATOM 805 CG GLU X 48 85.348 -4.167 -11.656 1.00 1.00 C ATOM 806 CD GLU X 48 85.713 -3.332 -12.885 1.00 1.00 C ATOM 807 OE1 GLU X 48 84.830 -2.677 -13.415 1.00 1.00 O ATOM 808 OE2 GLU X 48 86.868 -3.362 -13.275 1.00 1.00 O ATOM 0 H GLU X 48 82.889 -6.816 -10.896 1.00 1.00 H new ATOM 0 HA GLU X 48 84.115 -4.604 -9.335 1.00 1.00 H new ATOM 0 HB2 GLU X 48 83.297 -4.453 -12.277 1.00 1.00 H new ATOM 0 HB3 GLU X 48 83.545 -3.039 -11.271 1.00 1.00 H new ATOM 0 HG2 GLU X 48 85.892 -3.806 -10.783 1.00 1.00 H new ATOM 0 HG3 GLU X 48 85.642 -5.205 -11.808 1.00 1.00 H new ATOM 815 N GLY X 49 81.733 -3.510 -9.207 1.00 1.00 N ATOM 816 CA GLY X 49 80.327 -3.202 -8.820 1.00 1.00 C ATOM 817 C GLY X 49 80.118 -1.686 -8.790 1.00 1.00 C ATOM 818 O GLY X 49 81.061 -0.921 -8.822 1.00 1.00 O ATOM 0 H GLY X 49 82.416 -2.789 -8.974 1.00 1.00 H new ATOM 0 HA2 GLY X 49 79.637 -3.660 -9.528 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.108 -3.628 -7.841 1.00 1.00 H new ATOM 822 N THR X 50 78.892 -1.245 -8.728 1.00 1.00 N ATOM 823 CA THR X 50 78.633 0.222 -8.697 1.00 1.00 C ATOM 824 C THR X 50 79.224 0.813 -7.415 1.00 1.00 C ATOM 825 O THR X 50 78.987 0.324 -6.328 1.00 1.00 O ATOM 826 CB THR X 50 77.124 0.477 -8.729 1.00 1.00 C ATOM 827 OG1 THR X 50 76.551 -0.224 -9.823 1.00 1.00 O ATOM 828 CG2 THR X 50 76.861 1.975 -8.887 1.00 1.00 C ATOM 0 H THR X 50 78.060 -1.835 -8.698 1.00 1.00 H new ATOM 0 HA THR X 50 79.097 0.692 -9.564 1.00 1.00 H new ATOM 0 HB THR X 50 76.676 0.128 -7.798 1.00 1.00 H new ATOM 0 HG1 THR X 50 75.584 -0.063 -9.844 1.00 1.00 H new ATOM 0 HG21 THR X 50 75.786 2.155 -8.910 1.00 1.00 H new ATOM 0 HG22 THR X 50 77.301 2.512 -8.047 1.00 1.00 H new ATOM 0 HG23 THR X 50 77.308 2.327 -9.817 1.00 1.00 H new ATOM 836 N ILE X 51 79.990 1.863 -7.532 1.00 1.00 N ATOM 837 CA ILE X 51 80.593 2.483 -6.320 1.00 1.00 C ATOM 838 C ILE X 51 80.072 3.915 -6.164 1.00 1.00 C ATOM 839 O ILE X 51 80.069 4.690 -7.101 1.00 1.00 O ATOM 840 CB ILE X 51 82.116 2.508 -6.467 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.713 1.273 -5.788 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.673 3.771 -5.807 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.882 1.545 -4.292 1.00 1.00 C ATOM 0 H ILE X 51 80.224 2.318 -8.415 1.00 1.00 H new ATOM 0 HA ILE X 51 80.321 1.901 -5.440 1.00 1.00 H new ATOM 0 HB ILE X 51 82.379 2.506 -7.525 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.063 0.411 -5.941 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.677 1.029 -6.235 1.00 1.00 H new ATOM 0 HG21 ILE X 51 83.758 3.788 -5.912 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.248 4.651 -6.289 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.411 3.775 -4.749 1.00 1.00 H new ATOM 0 HD11 ILE X 51 83.307 0.666 -3.808 1.00 1.00 H new ATOM 0 HD12 ILE X 51 83.549 2.395 -4.150 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.911 1.768 -3.851 1.00 1.00 H new ATOM 855 N ASP X 52 79.631 4.271 -4.989 1.00 1.00 N ATOM 856 CA ASP X 52 79.130 5.656 -4.765 1.00 1.00 C ATOM 857 C ASP X 52 80.260 6.531 -4.216 1.00 1.00 C ATOM 858 O ASP X 52 80.884 6.205 -3.226 1.00 1.00 O ATOM 859 CB ASP X 52 77.977 5.625 -3.760 1.00 1.00 C ATOM 860 CG ASP X 52 77.141 6.899 -3.901 1.00 1.00 C ATOM 861 OD1 ASP X 52 77.688 7.897 -4.340 1.00 1.00 O ATOM 862 OD2 ASP X 52 75.968 6.853 -3.568 1.00 1.00 O ATOM 0 H ASP X 52 79.596 3.661 -4.172 1.00 1.00 H new ATOM 0 HA ASP X 52 78.779 6.070 -5.711 1.00 1.00 H new ATOM 0 HB2 ASP X 52 77.354 4.748 -3.933 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.367 5.544 -2.745 1.00 1.00 H new ATOM 867 N ILE X 53 80.530 7.641 -4.849 1.00 1.00 N ATOM 868 CA ILE X 53 81.623 8.529 -4.360 1.00 1.00 C ATOM 869 C ILE X 53 81.519 8.677 -2.841 1.00 1.00 C ATOM 870 O ILE X 53 82.451 9.096 -2.183 1.00 1.00 O ATOM 871 CB ILE X 53 81.494 9.905 -5.016 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.662 9.766 -6.531 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.577 10.837 -4.469 1.00 1.00 C ATOM 874 CD1 ILE X 53 81.236 11.067 -7.214 1.00 1.00 C ATOM 0 H ILE X 53 80.042 7.970 -5.682 1.00 1.00 H new ATOM 0 HA ILE X 53 82.588 8.092 -4.617 1.00 1.00 H new ATOM 0 HB ILE X 53 80.511 10.320 -4.794 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.700 9.539 -6.773 1.00 1.00 H new ATOM 0 HG13 ILE X 53 81.060 8.935 -6.900 1.00 1.00 H new ATOM 0 HG21 ILE X 53 82.484 11.817 -4.937 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.459 10.938 -3.390 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.560 10.421 -4.690 1.00 1.00 H new ATOM 0 HD11 ILE X 53 81.356 10.968 -8.293 1.00 1.00 H new ATOM 0 HD12 ILE X 53 80.191 11.274 -6.982 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.857 11.887 -6.854 1.00 1.00 H new ATOM 886 N LYS X 54 80.391 8.337 -2.276 1.00 1.00 N ATOM 887 CA LYS X 54 80.237 8.447 -0.798 1.00 1.00 C ATOM 888 C LYS X 54 81.151 7.429 -0.115 1.00 1.00 C ATOM 889 O LYS X 54 81.706 7.685 0.936 1.00 1.00 O ATOM 890 CB LYS X 54 78.782 8.168 -0.414 1.00 1.00 C ATOM 891 CG LYS X 54 77.890 9.292 -0.940 1.00 1.00 C ATOM 892 CD LYS X 54 76.444 9.043 -0.506 1.00 1.00 C ATOM 893 CE LYS X 54 75.559 10.191 -0.992 1.00 1.00 C ATOM 894 NZ LYS X 54 74.153 9.950 -0.564 1.00 1.00 N ATOM 0 H LYS X 54 79.572 7.989 -2.774 1.00 1.00 H new ATOM 0 HA LYS X 54 80.509 9.452 -0.477 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.463 7.212 -0.829 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.689 8.093 0.669 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.235 10.253 -0.558 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.951 9.340 -2.027 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.088 8.098 -0.915 1.00 1.00 H new ATOM 0 HD3 LYS X 54 76.388 8.961 0.580 1.00 1.00 H new ATOM 0 HE2 LYS X 54 75.917 11.137 -0.586 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.611 10.270 -2.078 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 73.730 10.844 -0.241 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 73.605 9.577 -1.366 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 74.140 9.260 0.214 1.00 1.00 H new ATOM 908 N PHE X 55 81.315 6.275 -0.703 1.00 1.00 N ATOM 909 CA PHE X 55 82.176 5.234 -0.076 1.00 1.00 C ATOM 910 C PHE X 55 83.636 5.489 -0.457 1.00 1.00 C ATOM 911 O PHE X 55 84.542 4.893 0.091 1.00 1.00 O ATOM 912 CB PHE X 55 81.748 3.850 -0.571 1.00 1.00 C ATOM 913 CG PHE X 55 80.244 3.793 -0.683 1.00 1.00 C ATOM 914 CD1 PHE X 55 79.446 4.333 0.333 1.00 1.00 C ATOM 915 CD2 PHE X 55 79.646 3.202 -1.803 1.00 1.00 C ATOM 916 CE1 PHE X 55 78.051 4.282 0.230 1.00 1.00 C ATOM 917 CE2 PHE X 55 78.251 3.152 -1.906 1.00 1.00 C ATOM 918 CZ PHE X 55 77.453 3.691 -0.890 1.00 1.00 C ATOM 0 H PHE X 55 80.889 6.009 -1.591 1.00 1.00 H new ATOM 0 HA PHE X 55 82.071 5.276 1.008 1.00 1.00 H new ATOM 0 HB2 PHE X 55 82.203 3.643 -1.540 1.00 1.00 H new ATOM 0 HB3 PHE X 55 82.101 3.082 0.117 1.00 1.00 H new ATOM 0 HD1 PHE X 55 79.907 4.789 1.197 1.00 1.00 H new ATOM 0 HD2 PHE X 55 80.261 2.785 -2.587 1.00 1.00 H new ATOM 0 HE1 PHE X 55 77.436 4.698 1.014 1.00 1.00 H new ATOM 0 HE2 PHE X 55 77.790 2.697 -2.770 1.00 1.00 H new ATOM 0 HZ PHE X 55 76.377 3.651 -0.970 1.00 1.00 H new ATOM 928 N TRP X 56 83.875 6.369 -1.391 1.00 1.00 N ATOM 929 CA TRP X 56 85.280 6.647 -1.804 1.00 1.00 C ATOM 930 C TRP X 56 86.089 7.115 -0.593 1.00 1.00 C ATOM 931 O TRP X 56 87.193 6.665 -0.362 1.00 1.00 O ATOM 932 CB TRP X 56 85.287 7.739 -2.876 1.00 1.00 C ATOM 933 CG TRP X 56 86.665 8.305 -2.999 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.800 7.574 -3.081 1.00 1.00 C ATOM 935 CD2 TRP X 56 87.073 9.702 -3.058 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.878 8.433 -3.185 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.482 9.755 -3.176 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.364 10.916 -3.020 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.163 10.971 -3.254 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.047 12.141 -3.098 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.444 12.168 -3.216 1.00 1.00 C ATOM 0 H TRP X 56 83.161 6.905 -1.884 1.00 1.00 H new ATOM 0 HA TRP X 56 85.727 5.738 -2.206 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.964 7.327 -3.832 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.581 8.526 -2.613 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.855 6.495 -3.067 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.848 8.127 -3.259 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.288 10.906 -2.930 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.239 10.986 -3.343 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.493 13.067 -3.067 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.963 13.113 -3.277 1.00 1.00 H new ATOM 952 N ARG X 57 85.552 8.017 0.182 1.00 1.00 N ATOM 953 CA ARG X 57 86.290 8.503 1.380 1.00 1.00 C ATOM 954 C ARG X 57 86.517 7.340 2.348 1.00 1.00 C ATOM 955 O ARG X 57 87.590 7.172 2.892 1.00 1.00 O ATOM 956 CB ARG X 57 85.475 9.594 2.076 1.00 1.00 C ATOM 957 CG ARG X 57 85.505 10.872 1.233 1.00 1.00 C ATOM 958 CD ARG X 57 84.084 11.419 1.085 1.00 1.00 C ATOM 959 NE ARG X 57 83.533 11.740 2.431 1.00 1.00 N ATOM 960 CZ ARG X 57 82.271 12.049 2.563 1.00 1.00 C ATOM 961 NH1 ARG X 57 81.491 12.072 1.516 1.00 1.00 N ATOM 962 NH2 ARG X 57 81.789 12.334 3.742 1.00 1.00 N ATOM 0 H ARG X 57 84.634 8.438 0.037 1.00 1.00 H new ATOM 0 HA ARG X 57 87.252 8.911 1.071 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.446 9.261 2.215 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.883 9.790 3.068 1.00 1.00 H new ATOM 0 HG2 ARG X 57 86.145 11.617 1.705 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.930 10.663 0.251 1.00 1.00 H new ATOM 0 HD2 ARG X 57 84.090 12.312 0.460 1.00 1.00 H new ATOM 0 HD3 ARG X 57 83.451 10.685 0.586 1.00 1.00 H new ATOM 0 HE ARG X 57 84.141 11.718 3.250 1.00 1.00 H new ATOM 0 HH11 ARG X 57 81.867 11.849 0.595 1.00 1.00 H new ATOM 0 HH12 ARG X 57 80.505 12.313 1.620 1.00 1.00 H new ATOM 0 HH21 ARG X 57 82.398 12.315 4.560 1.00 1.00 H new ATOM 0 HH22 ARG X 57 80.803 12.575 3.845 1.00 1.00 H new ATOM 976 N ARG X 58 85.516 6.532 2.565 1.00 1.00 N ATOM 977 CA ARG X 58 85.677 5.383 3.500 1.00 1.00 C ATOM 978 C ARG X 58 86.735 4.424 2.952 1.00 1.00 C ATOM 979 O ARG X 58 87.628 4.001 3.658 1.00 1.00 O ATOM 980 CB ARG X 58 84.343 4.646 3.636 1.00 1.00 C ATOM 981 CG ARG X 58 83.266 5.623 4.113 1.00 1.00 C ATOM 982 CD ARG X 58 83.492 5.953 5.590 1.00 1.00 C ATOM 983 NE ARG X 58 82.345 6.754 6.101 1.00 1.00 N ATOM 984 CZ ARG X 58 82.510 7.549 7.123 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.677 7.641 7.698 1.00 1.00 N ATOM 986 NH2 ARG X 58 81.505 8.252 7.571 1.00 1.00 N ATOM 0 H ARG X 58 84.595 6.618 2.136 1.00 1.00 H new ATOM 0 HA ARG X 58 85.991 5.751 4.477 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.056 4.211 2.678 1.00 1.00 H new ATOM 0 HB3 ARG X 58 84.441 3.822 4.343 1.00 1.00 H new ATOM 0 HG2 ARG X 58 83.298 6.535 3.517 1.00 1.00 H new ATOM 0 HG3 ARG X 58 82.277 5.186 3.974 1.00 1.00 H new ATOM 0 HD2 ARG X 58 83.594 5.034 6.168 1.00 1.00 H new ATOM 0 HD3 ARG X 58 84.421 6.510 5.711 1.00 1.00 H new ATOM 0 HE ARG X 58 81.432 6.681 5.653 1.00 1.00 H new ATOM 0 HH11 ARG X 58 84.462 7.091 7.349 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.804 8.263 8.497 1.00 1.00 H new ATOM 0 HH21 ARG X 58 80.592 8.180 7.122 1.00 1.00 H new ATOM 0 HH22 ARG X 58 81.633 8.873 8.370 1.00 1.00 H new ATOM 1000 N VAL X 59 86.642 4.079 1.698 1.00 1.00 N ATOM 1001 CA VAL X 59 87.644 3.149 1.105 1.00 1.00 C ATOM 1002 C VAL X 59 89.019 3.819 1.103 1.00 1.00 C ATOM 1003 O VAL X 59 90.016 3.215 1.449 1.00 1.00 O ATOM 1004 CB VAL X 59 87.238 2.808 -0.330 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.337 1.969 -0.986 1.00 1.00 C ATOM 1006 CG2 VAL X 59 85.930 2.014 -0.314 1.00 1.00 C ATOM 0 H VAL X 59 85.916 4.401 1.058 1.00 1.00 H new ATOM 0 HA VAL X 59 87.686 2.234 1.695 1.00 1.00 H new ATOM 0 HB VAL X 59 87.098 3.728 -0.897 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.048 1.726 -2.008 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.269 2.535 -0.997 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.478 1.048 -0.420 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.640 1.770 -1.336 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.070 1.093 0.253 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.147 2.612 0.153 1.00 1.00 H new ATOM 1016 N GLY X 60 89.081 5.064 0.716 1.00 1.00 N ATOM 1017 CA GLY X 60 90.392 5.772 0.688 1.00 1.00 C ATOM 1018 C GLY X 60 91.010 5.758 2.087 1.00 1.00 C ATOM 1019 O GLY X 60 92.167 5.429 2.260 1.00 1.00 O ATOM 0 H GLY X 60 88.280 5.621 0.418 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.063 5.289 -0.022 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.255 6.799 0.350 1.00 1.00 H new ATOM 1023 N ASP X 61 90.250 6.113 3.086 1.00 1.00 N ATOM 1024 CA ASP X 61 90.797 6.119 4.472 1.00 1.00 C ATOM 1025 C ASP X 61 91.119 4.686 4.900 1.00 1.00 C ATOM 1026 O ASP X 61 92.124 4.427 5.533 1.00 1.00 O ATOM 1027 CB ASP X 61 89.761 6.716 5.427 1.00 1.00 C ATOM 1028 CG ASP X 61 89.880 8.241 5.420 1.00 1.00 C ATOM 1029 OD1 ASP X 61 90.788 8.743 4.779 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.059 8.883 6.056 1.00 1.00 O ATOM 0 H ASP X 61 89.274 6.399 3.003 1.00 1.00 H new ATOM 0 HA ASP X 61 91.706 6.720 4.501 1.00 1.00 H new ATOM 0 HB2 ASP X 61 88.757 6.418 5.124 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.917 6.333 6.435 1.00 1.00 H new ATOM 1035 N CYS X 62 90.273 3.751 4.560 1.00 1.00 N ATOM 1036 CA CYS X 62 90.532 2.337 4.949 1.00 1.00 C ATOM 1037 C CYS X 62 91.826 1.855 4.288 1.00 1.00 C ATOM 1038 O CYS X 62 92.692 1.299 4.934 1.00 1.00 O ATOM 1039 CB CYS X 62 89.366 1.461 4.486 1.00 1.00 C ATOM 1040 SG CYS X 62 87.863 1.940 5.372 1.00 1.00 S ATOM 0 H CYS X 62 89.415 3.906 4.030 1.00 1.00 H new ATOM 0 HA CYS X 62 90.631 2.269 6.032 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.218 1.571 3.412 1.00 1.00 H new ATOM 0 HB3 CYS X 62 89.591 0.411 4.671 1.00 1.00 H new ATOM 0 HG CYS X 62 87.371 3.019 4.840 1.00 1.00 H new ATOM 1046 N PHE X 63 91.964 2.063 3.008 1.00 1.00 N ATOM 1047 CA PHE X 63 93.202 1.615 2.310 1.00 1.00 C ATOM 1048 C PHE X 63 94.408 2.367 2.877 1.00 1.00 C ATOM 1049 O PHE X 63 95.457 1.797 3.102 1.00 1.00 O ATOM 1050 CB PHE X 63 93.076 1.905 0.813 1.00 1.00 C ATOM 1051 CG PHE X 63 92.513 0.694 0.110 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.375 0.057 0.617 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.130 0.206 -1.049 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.851 -1.066 -0.035 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.608 -0.917 -1.701 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.468 -1.554 -1.194 1.00 1.00 C ATOM 0 H PHE X 63 91.274 2.524 2.415 1.00 1.00 H new ATOM 0 HA PHE X 63 93.338 0.544 2.462 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.427 2.766 0.652 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.051 2.159 0.398 1.00 1.00 H new ATOM 0 HD1 PHE X 63 90.900 0.432 1.512 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.009 0.697 -1.440 1.00 1.00 H new ATOM 0 HE1 PHE X 63 89.971 -1.556 0.356 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.084 -1.292 -2.595 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.065 -2.421 -1.696 1.00 1.00 H new ATOM 1066 N GLN X 64 94.266 3.643 3.110 1.00 1.00 N ATOM 1067 CA GLN X 64 95.401 4.427 3.672 1.00 1.00 C ATOM 1068 C GLN X 64 95.823 3.826 5.014 1.00 1.00 C ATOM 1069 O GLN X 64 96.990 3.792 5.352 1.00 1.00 O ATOM 1070 CB GLN X 64 94.966 5.879 3.879 1.00 1.00 C ATOM 1071 CG GLN X 64 96.188 6.740 4.202 1.00 1.00 C ATOM 1072 CD GLN X 64 97.011 6.958 2.931 1.00 1.00 C ATOM 1073 OE1 GLN X 64 96.464 7.078 1.853 1.00 1.00 O ATOM 1074 NE2 GLN X 64 98.313 7.013 3.011 1.00 1.00 N ATOM 0 H GLN X 64 93.414 4.176 2.936 1.00 1.00 H new ATOM 0 HA GLN X 64 96.242 4.394 2.979 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.472 6.253 2.982 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.241 5.940 4.691 1.00 1.00 H new ATOM 0 HG2 GLN X 64 95.872 7.699 4.612 1.00 1.00 H new ATOM 0 HG3 GLN X 64 96.798 6.253 4.963 1.00 1.00 H new ATOM 0 HE21 GLN X 64 98.773 6.912 3.916 1.00 1.00 H new ATOM 0 HE22 GLN X 64 98.870 7.157 2.169 1.00 1.00 H new ATOM 1083 N ASP X 65 94.882 3.352 5.783 1.00 1.00 N ATOM 1084 CA ASP X 65 95.233 2.753 7.101 1.00 1.00 C ATOM 1085 C ASP X 65 96.112 1.520 6.879 1.00 1.00 C ATOM 1086 O ASP X 65 97.094 1.314 7.565 1.00 1.00 O ATOM 1087 CB ASP X 65 93.952 2.342 7.831 1.00 1.00 C ATOM 1088 CG ASP X 65 93.159 3.592 8.215 1.00 1.00 C ATOM 1089 OD1 ASP X 65 93.703 4.677 8.087 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.021 3.444 8.630 1.00 1.00 O ATOM 0 H ASP X 65 93.887 3.353 5.556 1.00 1.00 H new ATOM 0 HA ASP X 65 95.775 3.484 7.702 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.348 1.697 7.192 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.198 1.766 8.723 1.00 1.00 H new ATOM 1095 N TYR X 66 95.767 0.699 5.924 1.00 1.00 N ATOM 1096 CA TYR X 66 96.586 -0.513 5.651 1.00 1.00 C ATOM 1097 C TYR X 66 97.946 -0.094 5.090 1.00 1.00 C ATOM 1098 O TYR X 66 98.954 -0.722 5.345 1.00 1.00 O ATOM 1099 CB TYR X 66 95.866 -1.398 4.632 1.00 1.00 C ATOM 1100 CG TYR X 66 94.700 -2.089 5.299 1.00 1.00 C ATOM 1101 CD1 TYR X 66 94.928 -3.134 6.204 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.390 -1.685 5.012 1.00 1.00 C ATOM 1103 CE1 TYR X 66 93.846 -3.773 6.821 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.309 -2.325 5.629 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.537 -3.369 6.534 1.00 1.00 C ATOM 1106 OH TYR X 66 91.471 -4.000 7.142 1.00 1.00 O ATOM 0 H TYR X 66 94.952 0.817 5.322 1.00 1.00 H new ATOM 0 HA TYR X 66 96.730 -1.069 6.577 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.514 -0.795 3.795 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.556 -2.137 4.225 1.00 1.00 H new ATOM 0 HD1 TYR X 66 95.938 -3.446 6.425 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.214 -0.879 4.314 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.021 -4.578 7.519 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.299 -2.014 5.407 1.00 1.00 H new ATOM 0 HH TYR X 66 90.633 -3.597 6.833 1.00 1.00 H new ATOM 1116 N TYR X 67 97.982 0.964 4.327 1.00 1.00 N ATOM 1117 CA TYR X 67 99.279 1.424 3.755 1.00 1.00 C ATOM 1118 C TYR X 67 100.234 1.789 4.893 1.00 1.00 C ATOM 1119 O TYR X 67 101.337 1.288 4.975 1.00 1.00 O ATOM 1120 CB TYR X 67 99.040 2.651 2.875 1.00 1.00 C ATOM 1121 CG TYR X 67 100.316 3.452 2.774 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.355 3.012 1.946 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.460 4.636 3.508 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.538 3.754 1.852 1.00 1.00 C ATOM 1125 CE2 TYR X 67 101.643 5.378 3.413 1.00 1.00 C ATOM 1126 CZ TYR X 67 102.682 4.937 2.586 1.00 1.00 C ATOM 1127 OH TYR X 67 103.848 5.670 2.493 1.00 1.00 O ATOM 0 H TYR X 67 97.171 1.529 4.075 1.00 1.00 H new ATOM 0 HA TYR X 67 99.717 0.627 3.154 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.712 2.342 1.882 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.244 3.265 3.297 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.244 2.099 1.379 1.00 1.00 H new ATOM 0 HD2 TYR X 67 99.659 4.976 4.147 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.340 3.414 1.213 1.00 1.00 H new ATOM 0 HE2 TYR X 67 101.754 6.291 3.978 1.00 1.00 H new ATOM 0 HH TYR X 67 103.783 6.463 3.066 1.00 1.00 H new ATOM 1137 N ASN X 68 99.819 2.660 5.772 1.00 1.00 N ATOM 1138 CA ASN X 68 100.706 3.058 6.900 1.00 1.00 C ATOM 1139 C ASN X 68 100.983 1.839 7.781 1.00 1.00 C ATOM 1140 O ASN X 68 102.054 1.692 8.335 1.00 1.00 O ATOM 1141 CB ASN X 68 100.021 4.145 7.731 1.00 1.00 C ATOM 1142 CG ASN X 68 100.031 5.463 6.956 1.00 1.00 C ATOM 1143 OD1 ASN X 68 100.935 5.722 6.187 1.00 1.00 O ATOM 1144 ND2 ASN X 68 99.054 6.313 7.126 1.00 1.00 N ATOM 0 H ASN X 68 98.905 3.112 5.757 1.00 1.00 H new ATOM 0 HA ASN X 68 101.646 3.444 6.506 1.00 1.00 H new ATOM 0 HB2 ASN X 68 98.996 3.852 7.958 1.00 1.00 H new ATOM 0 HB3 ASN X 68 100.536 4.267 8.684 1.00 1.00 H new ATOM 0 HD21 ASN X 68 99.050 7.195 6.613 1.00 1.00 H new ATOM 0 HD22 ASN X 68 98.295 6.095 7.772 1.00 1.00 H new ATOM 1151 N THR X 69 100.026 0.961 7.912 1.00 1.00 N ATOM 1152 CA THR X 69 100.231 -0.241 8.769 1.00 1.00 C ATOM 1153 C THR X 69 101.263 -1.160 8.112 1.00 1.00 C ATOM 1154 O THR X 69 102.197 -1.613 8.746 1.00 1.00 O ATOM 1155 CB THR X 69 98.905 -0.991 8.923 1.00 1.00 C ATOM 1156 OG1 THR X 69 97.885 -0.074 9.294 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.046 -2.063 10.003 1.00 1.00 C ATOM 0 H THR X 69 99.112 1.024 7.463 1.00 1.00 H new ATOM 0 HA THR X 69 100.589 0.068 9.751 1.00 1.00 H new ATOM 0 HB THR X 69 98.643 -1.464 7.977 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.315 0.113 8.519 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.102 -2.596 10.112 1.00 1.00 H new ATOM 0 HG22 THR X 69 99.829 -2.766 9.718 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.308 -1.593 10.951 1.00 1.00 H new ATOM 1165 N PHE X 70 101.107 -1.435 6.846 1.00 1.00 N ATOM 1166 CA PHE X 70 102.061 -2.349 6.159 1.00 1.00 C ATOM 1167 C PHE X 70 102.806 -1.576 5.069 1.00 1.00 C ATOM 1168 O PHE X 70 104.020 -1.576 5.012 1.00 1.00 O ATOM 1169 CB PHE X 70 101.292 -3.509 5.526 1.00 1.00 C ATOM 1170 CG PHE X 70 100.674 -4.356 6.613 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.436 -5.341 7.253 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.338 -4.158 6.980 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.863 -6.126 8.260 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.764 -4.943 7.987 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.527 -5.926 8.627 1.00 1.00 C ATOM 0 H PHE X 70 100.360 -1.066 6.258 1.00 1.00 H new ATOM 0 HA PHE X 70 102.776 -2.741 6.883 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.516 -3.126 4.863 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.963 -4.114 4.916 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.467 -5.495 6.969 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.749 -3.399 6.486 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.451 -6.886 8.754 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.733 -4.790 8.270 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.085 -6.531 9.405 1.00 1.00 H new ATOM 1185 N GLY X 71 102.086 -0.916 4.203 1.00 1.00 N ATOM 1186 CA GLY X 71 102.749 -0.169 3.099 1.00 1.00 C ATOM 1187 C GLY X 71 101.992 -0.413 1.793 1.00 1.00 C ATOM 1188 O GLY X 71 100.866 -0.871 1.794 1.00 1.00 O ATOM 0 H GLY X 71 101.067 -0.862 4.213 1.00 1.00 H new ATOM 0 HA2 GLY X 71 102.769 0.897 3.327 1.00 1.00 H new ATOM 0 HA3 GLY X 71 103.785 -0.492 2.997 1.00 1.00 H new ATOM 1192 N PRO X 72 102.614 -0.109 0.686 1.00 1.00 N ATOM 1193 CA PRO X 72 102.006 -0.298 -0.661 1.00 1.00 C ATOM 1194 C PRO X 72 101.785 -1.777 -0.987 1.00 1.00 C ATOM 1195 O PRO X 72 100.951 -2.126 -1.798 1.00 1.00 O ATOM 1196 CB PRO X 72 103.024 0.320 -1.632 1.00 1.00 C ATOM 1197 CG PRO X 72 104.027 1.050 -0.794 1.00 1.00 C ATOM 1198 CD PRO X 72 103.964 0.446 0.598 1.00 1.00 C ATOM 0 HA PRO X 72 101.022 0.167 -0.724 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.508 -0.453 -2.230 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.532 1.000 -2.328 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.028 0.948 -1.214 1.00 1.00 H new ATOM 0 HG3 PRO X 72 103.801 2.116 -0.763 1.00 1.00 H new ATOM 0 HD2 PRO X 72 104.722 -0.326 0.732 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.136 1.199 1.367 1.00 1.00 H new ATOM 1206 N GLU X 73 102.522 -2.651 -0.358 1.00 1.00 N ATOM 1207 CA GLU X 73 102.356 -4.103 -0.639 1.00 1.00 C ATOM 1208 C GLU X 73 100.886 -4.488 -0.453 1.00 1.00 C ATOM 1209 O GLU X 73 100.262 -5.036 -1.339 1.00 1.00 O ATOM 1210 CB GLU X 73 103.221 -4.915 0.328 1.00 1.00 C ATOM 1211 CG GLU X 73 104.700 -4.682 0.009 1.00 1.00 C ATOM 1212 CD GLU X 73 105.565 -5.429 1.026 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.002 -6.036 1.923 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.777 -5.380 0.892 1.00 1.00 O ATOM 0 H GLU X 73 103.231 -2.421 0.338 1.00 1.00 H new ATOM 0 HA GLU X 73 102.664 -4.314 -1.663 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.009 -4.622 1.356 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.982 -5.975 0.243 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.924 -5.029 -1.000 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.926 -3.616 0.037 1.00 1.00 H new ATOM 1221 N LYS X 74 100.331 -4.202 0.693 1.00 1.00 N ATOM 1222 CA LYS X 74 98.903 -4.547 0.935 1.00 1.00 C ATOM 1223 C LYS X 74 98.017 -3.724 -0.003 1.00 1.00 C ATOM 1224 O LYS X 74 97.003 -4.191 -0.484 1.00 1.00 O ATOM 1225 CB LYS X 74 98.540 -4.231 2.387 1.00 1.00 C ATOM 1226 CG LYS X 74 99.344 -5.136 3.322 1.00 1.00 C ATOM 1227 CD LYS X 74 98.933 -6.592 3.102 1.00 1.00 C ATOM 1228 CE LYS X 74 99.186 -7.393 4.380 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.783 -8.812 4.166 1.00 1.00 N ATOM 0 H LYS X 74 100.805 -3.744 1.472 1.00 1.00 H new ATOM 0 HA LYS X 74 98.748 -5.609 0.746 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.751 -3.184 2.606 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.472 -4.381 2.547 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.411 -5.016 3.133 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.170 -4.851 4.360 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.879 -6.646 2.829 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.499 -7.020 2.274 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.240 -7.340 4.652 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.621 -6.965 5.208 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 98.955 -9.357 5.035 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.772 -8.853 3.926 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 99.340 -9.218 3.387 1.00 1.00 H new ATOM 1243 N VAL X 75 98.393 -2.503 -0.264 1.00 1.00 N ATOM 1244 CA VAL X 75 97.572 -1.649 -1.167 1.00 1.00 C ATOM 1245 C VAL X 75 98.492 -0.738 -1.982 1.00 1.00 C ATOM 1246 O VAL X 75 98.687 0.416 -1.653 1.00 1.00 O ATOM 1247 CB VAL X 75 96.618 -0.794 -0.332 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.514 -1.680 0.247 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.394 -0.134 0.810 1.00 1.00 C ATOM 0 H VAL X 75 99.233 -2.060 0.109 1.00 1.00 H new ATOM 0 HA VAL X 75 96.996 -2.282 -1.842 1.00 1.00 H new ATOM 0 HB VAL X 75 96.173 -0.024 -0.962 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.834 -1.071 0.842 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.962 -2.152 -0.566 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.959 -2.450 0.878 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.715 0.476 1.406 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.839 -0.904 1.440 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.182 0.497 0.398 1.00 1.00 H new ATOM 1259 N PRO X 76 99.054 -1.258 -3.039 1.00 1.00 N ATOM 1260 CA PRO X 76 99.975 -0.493 -3.923 1.00 1.00 C ATOM 1261 C PRO X 76 99.297 0.732 -4.545 1.00 1.00 C ATOM 1262 O PRO X 76 98.094 0.772 -4.707 1.00 1.00 O ATOM 1263 CB PRO X 76 100.353 -1.505 -5.004 1.00 1.00 C ATOM 1264 CG PRO X 76 100.045 -2.845 -4.416 1.00 1.00 C ATOM 1265 CD PRO X 76 98.869 -2.640 -3.507 1.00 1.00 C ATOM 0 HA PRO X 76 100.831 -0.097 -3.377 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.783 -1.336 -5.917 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.408 -1.424 -5.267 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.812 -3.569 -5.197 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.901 -3.235 -3.865 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.924 -2.765 -4.035 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.869 -3.350 -2.680 1.00 1.00 H new ATOM 1273 N VAL X 77 100.062 1.730 -4.895 1.00 1.00 N ATOM 1274 CA VAL X 77 99.461 2.954 -5.497 1.00 1.00 C ATOM 1275 C VAL X 77 98.524 2.553 -6.638 1.00 1.00 C ATOM 1276 O VAL X 77 97.771 3.358 -7.149 1.00 1.00 O ATOM 1277 CB VAL X 77 100.573 3.852 -6.044 1.00 1.00 C ATOM 1278 CG1 VAL X 77 99.958 4.961 -6.899 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.342 4.477 -4.879 1.00 1.00 C ATOM 0 H VAL X 77 101.076 1.751 -4.790 1.00 1.00 H new ATOM 0 HA VAL X 77 98.898 3.494 -4.736 1.00 1.00 H new ATOM 0 HB VAL X 77 101.254 3.257 -6.653 1.00 1.00 H new ATOM 0 HG11 VAL X 77 100.749 5.601 -7.289 1.00 1.00 H new ATOM 0 HG12 VAL X 77 99.408 4.518 -7.729 1.00 1.00 H new ATOM 0 HG13 VAL X 77 99.278 5.556 -6.289 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.134 5.117 -5.268 1.00 1.00 H new ATOM 0 HG22 VAL X 77 100.661 5.072 -4.271 1.00 1.00 H new ATOM 0 HG23 VAL X 77 101.780 3.688 -4.267 1.00 1.00 H new ATOM 1289 N THR X 78 98.565 1.313 -7.043 1.00 1.00 N ATOM 1290 CA THR X 78 97.684 0.863 -8.157 1.00 1.00 C ATOM 1291 C THR X 78 96.220 0.985 -7.727 1.00 1.00 C ATOM 1292 O THR X 78 95.345 1.231 -8.532 1.00 1.00 O ATOM 1293 CB THR X 78 97.994 -0.597 -8.499 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.646 -0.847 -9.854 1.00 1.00 O ATOM 1295 CG2 THR X 78 97.191 -1.521 -7.584 1.00 1.00 C ATOM 0 H THR X 78 99.171 0.592 -6.650 1.00 1.00 H new ATOM 0 HA THR X 78 97.861 1.486 -9.034 1.00 1.00 H new ATOM 0 HB THR X 78 99.058 -0.786 -8.355 1.00 1.00 H new ATOM 0 HG1 THR X 78 96.670 -0.857 -9.945 1.00 1.00 H new ATOM 0 HG21 THR X 78 97.414 -2.559 -7.830 1.00 1.00 H new ATOM 0 HG22 THR X 78 97.460 -1.328 -6.545 1.00 1.00 H new ATOM 0 HG23 THR X 78 96.126 -1.335 -7.723 1.00 1.00 H new ATOM 1303 N ALA X 79 95.948 0.813 -6.462 1.00 1.00 N ATOM 1304 CA ALA X 79 94.541 0.912 -5.982 1.00 1.00 C ATOM 1305 C ALA X 79 93.998 2.309 -6.284 1.00 1.00 C ATOM 1306 O ALA X 79 92.878 2.469 -6.727 1.00 1.00 O ATOM 1307 CB ALA X 79 94.498 0.664 -4.473 1.00 1.00 C ATOM 0 H ALA X 79 96.639 0.608 -5.741 1.00 1.00 H new ATOM 0 HA ALA X 79 93.930 0.166 -6.490 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.469 0.736 -4.122 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.886 -0.331 -4.257 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.108 1.410 -3.964 1.00 1.00 H new ATOM 1313 N PHE X 80 94.783 3.324 -6.048 1.00 1.00 N ATOM 1314 CA PHE X 80 94.313 4.711 -6.321 1.00 1.00 C ATOM 1315 C PHE X 80 94.085 4.885 -7.823 1.00 1.00 C ATOM 1316 O PHE X 80 93.094 5.443 -8.251 1.00 1.00 O ATOM 1317 CB PHE X 80 95.369 5.711 -5.846 1.00 1.00 C ATOM 1318 CG PHE X 80 95.414 5.715 -4.337 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.170 4.754 -3.656 1.00 1.00 C ATOM 1320 CD2 PHE X 80 94.699 6.682 -3.619 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.212 4.760 -2.256 1.00 1.00 C ATOM 1322 CE2 PHE X 80 94.741 6.687 -2.219 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.497 5.726 -1.539 1.00 1.00 C ATOM 0 H PHE X 80 95.731 3.252 -5.677 1.00 1.00 H new ATOM 0 HA PHE X 80 93.379 4.889 -5.788 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.346 5.444 -6.249 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.133 6.709 -6.216 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.721 4.008 -4.210 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.116 7.423 -4.145 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.796 4.019 -1.730 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.190 7.432 -1.665 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.529 5.730 -0.459 1.00 1.00 H new ATOM 1333 N SER X 81 94.996 4.412 -8.627 1.00 1.00 N ATOM 1334 CA SER X 81 94.833 4.550 -10.102 1.00 1.00 C ATOM 1335 C SER X 81 93.537 3.862 -10.537 1.00 1.00 C ATOM 1336 O SER X 81 92.765 4.402 -11.305 1.00 1.00 O ATOM 1337 CB SER X 81 96.021 3.895 -10.810 1.00 1.00 C ATOM 1338 OG SER X 81 95.896 4.088 -12.212 1.00 1.00 O ATOM 0 H SER X 81 95.847 3.936 -8.327 1.00 1.00 H new ATOM 0 HA SER X 81 94.791 5.607 -10.366 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.956 4.328 -10.453 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.055 2.830 -10.579 1.00 1.00 H new ATOM 0 HG SER X 81 96.656 3.671 -12.669 1.00 1.00 H new ATOM 1344 N TYR X 82 93.290 2.677 -10.050 1.00 1.00 N ATOM 1345 CA TYR X 82 92.043 1.958 -10.435 1.00 1.00 C ATOM 1346 C TYR X 82 90.828 2.722 -9.906 1.00 1.00 C ATOM 1347 O TYR X 82 89.807 2.813 -10.557 1.00 1.00 O ATOM 1348 CB TYR X 82 92.062 0.547 -9.840 1.00 1.00 C ATOM 1349 CG TYR X 82 92.857 -0.373 -10.736 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.408 -0.641 -12.035 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.041 -0.956 -10.269 1.00 1.00 C ATOM 1352 CE1 TYR X 82 93.143 -1.493 -12.867 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.777 -1.807 -11.103 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.328 -2.076 -12.401 1.00 1.00 C ATOM 1355 OH TYR X 82 95.053 -2.915 -13.223 1.00 1.00 O ATOM 0 H TYR X 82 93.898 2.176 -9.402 1.00 1.00 H new ATOM 0 HA TYR X 82 91.983 1.892 -11.521 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.502 0.568 -8.843 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.044 0.174 -9.731 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.495 -0.190 -12.395 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.386 -0.750 -9.267 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.796 -1.701 -13.869 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.691 -2.256 -10.744 1.00 1.00 H new ATOM 0 HH TYR X 82 95.848 -3.233 -12.746 1.00 1.00 H new ATOM 1365 N TRP X 83 90.929 3.277 -8.729 1.00 1.00 N ATOM 1366 CA TRP X 83 89.783 4.044 -8.166 1.00 1.00 C ATOM 1367 C TRP X 83 89.545 5.295 -9.011 1.00 1.00 C ATOM 1368 O TRP X 83 88.422 5.694 -9.247 1.00 1.00 O ATOM 1369 CB TRP X 83 90.102 4.454 -6.726 1.00 1.00 C ATOM 1370 CG TRP X 83 88.830 4.574 -5.950 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.097 5.705 -5.831 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.131 3.550 -5.184 1.00 1.00 C ATOM 1373 NE1 TRP X 83 86.991 5.439 -5.043 1.00 1.00 N ATOM 1374 CE2 TRP X 83 86.967 4.125 -4.621 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.391 2.192 -4.929 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.093 3.379 -3.831 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.512 1.438 -4.134 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.366 2.030 -3.586 1.00 1.00 C ATOM 0 H TRP X 83 91.756 3.232 -8.133 1.00 1.00 H new ATOM 0 HA TRP X 83 88.888 3.422 -8.177 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.755 3.715 -6.262 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.637 5.403 -6.717 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.336 6.659 -6.278 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.280 6.130 -4.803 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.271 1.726 -5.347 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.211 3.840 -3.411 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.721 0.396 -3.944 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.695 1.445 -2.975 1.00 1.00 H new ATOM 1389 N ASN X 84 90.595 5.917 -9.473 1.00 1.00 N ATOM 1390 CA ASN X 84 90.431 7.145 -10.299 1.00 1.00 C ATOM 1391 C ASN X 84 89.534 6.829 -11.499 1.00 1.00 C ATOM 1392 O ASN X 84 88.650 7.587 -11.843 1.00 1.00 O ATOM 1393 CB ASN X 84 91.801 7.618 -10.793 1.00 1.00 C ATOM 1394 CG ASN X 84 91.633 8.892 -11.622 1.00 1.00 C ATOM 1395 OD1 ASN X 84 91.166 9.898 -11.124 1.00 1.00 O ATOM 1396 ND2 ASN X 84 91.999 8.893 -12.874 1.00 1.00 N ATOM 0 H ASN X 84 91.560 5.627 -9.314 1.00 1.00 H new ATOM 0 HA ASN X 84 89.975 7.932 -9.698 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.459 7.807 -9.945 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.271 6.840 -11.394 1.00 1.00 H new ATOM 0 HD21 ASN X 84 91.893 9.738 -13.436 1.00 1.00 H new ATOM 0 HD22 ASN X 84 92.391 8.049 -13.291 1.00 1.00 H new ATOM 1403 N LEU X 85 89.759 5.712 -12.138 1.00 1.00 N ATOM 1404 CA LEU X 85 88.910 5.334 -13.303 1.00 1.00 C ATOM 1405 C LEU X 85 87.468 5.123 -12.838 1.00 1.00 C ATOM 1406 O LEU X 85 86.528 5.513 -13.503 1.00 1.00 O ATOM 1407 CB LEU X 85 89.441 4.039 -13.921 1.00 1.00 C ATOM 1408 CG LEU X 85 90.813 4.298 -14.545 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.463 2.966 -14.921 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.647 5.155 -15.802 1.00 1.00 C ATOM 0 H LEU X 85 90.494 5.045 -11.903 1.00 1.00 H new ATOM 0 HA LEU X 85 88.938 6.131 -14.046 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.517 3.264 -13.158 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.748 3.674 -14.679 1.00 1.00 H new ATOM 0 HG LEU X 85 91.445 4.821 -13.827 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.441 3.151 -15.366 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.581 2.354 -14.027 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.831 2.443 -15.639 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.624 5.340 -16.248 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.015 4.631 -16.519 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.184 6.105 -15.536 1.00 1.00 H new ATOM 1422 N ILE X 86 87.284 4.510 -11.701 1.00 1.00 N ATOM 1423 CA ILE X 86 85.902 4.284 -11.192 1.00 1.00 C ATOM 1424 C ILE X 86 85.232 5.633 -10.925 1.00 1.00 C ATOM 1425 O ILE X 86 84.080 5.840 -11.252 1.00 1.00 O ATOM 1426 CB ILE X 86 85.963 3.481 -9.891 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.164 1.999 -10.216 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.654 3.659 -9.120 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.802 1.326 -10.395 1.00 1.00 C ATOM 0 H ILE X 86 88.031 4.156 -11.103 1.00 1.00 H new ATOM 0 HA ILE X 86 85.327 3.731 -11.935 1.00 1.00 H new ATOM 0 HB ILE X 86 86.795 3.837 -9.283 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.756 1.892 -11.125 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.719 1.512 -9.414 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.697 3.087 -8.193 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.508 4.714 -8.889 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.822 3.303 -9.728 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.945 0.271 -10.626 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.226 1.421 -9.475 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.263 1.807 -11.212 1.00 1.00 H new ATOM 1441 N LYS X 87 85.946 6.553 -10.337 1.00 1.00 N ATOM 1442 CA LYS X 87 85.348 7.886 -10.044 1.00 1.00 C ATOM 1443 C LYS X 87 84.880 8.533 -11.348 1.00 1.00 C ATOM 1444 O LYS X 87 83.824 9.129 -11.412 1.00 1.00 O ATOM 1445 CB LYS X 87 86.397 8.779 -9.378 1.00 1.00 C ATOM 1446 CG LYS X 87 85.750 10.098 -8.953 1.00 1.00 C ATOM 1447 CD LYS X 87 86.777 10.956 -8.212 1.00 1.00 C ATOM 1448 CE LYS X 87 86.125 12.268 -7.775 1.00 1.00 C ATOM 1449 NZ LYS X 87 87.135 13.120 -7.083 1.00 1.00 N ATOM 0 H LYS X 87 86.917 6.439 -10.047 1.00 1.00 H new ATOM 0 HA LYS X 87 84.497 7.764 -9.374 1.00 1.00 H new ATOM 0 HB2 LYS X 87 86.822 8.274 -8.510 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.218 8.971 -10.069 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.379 10.631 -9.828 1.00 1.00 H new ATOM 0 HG3 LYS X 87 84.892 9.903 -8.310 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.156 10.419 -7.343 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.631 11.159 -8.858 1.00 1.00 H new ATOM 0 HE2 LYS X 87 85.723 12.793 -8.642 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.287 12.065 -7.108 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 86.691 14.012 -6.786 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 87.498 12.619 -6.247 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 87.921 13.324 -7.733 1.00 1.00 H new ATOM 1463 N GLU X 88 85.657 8.420 -12.391 1.00 1.00 N ATOM 1464 CA GLU X 88 85.254 9.029 -13.690 1.00 1.00 C ATOM 1465 C GLU X 88 84.086 8.237 -14.280 1.00 1.00 C ATOM 1466 O GLU X 88 83.186 8.792 -14.879 1.00 1.00 O ATOM 1467 CB GLU X 88 86.437 8.996 -14.660 1.00 1.00 C ATOM 1468 CG GLU X 88 87.556 9.897 -14.134 1.00 1.00 C ATOM 1469 CD GLU X 88 88.791 9.749 -15.024 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.696 9.060 -16.027 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.811 10.327 -14.688 1.00 1.00 O ATOM 0 H GLU X 88 86.553 7.932 -12.399 1.00 1.00 H new ATOM 0 HA GLU X 88 84.949 10.063 -13.529 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.801 7.975 -14.771 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.120 9.331 -15.648 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.226 10.936 -14.122 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.801 9.628 -13.106 1.00 1.00 H new ATOM 1478 N LEU X 89 84.092 6.943 -14.116 1.00 1.00 N ATOM 1479 CA LEU X 89 82.994 6.114 -14.687 1.00 1.00 C ATOM 1480 C LEU X 89 81.674 6.483 -14.006 1.00 1.00 C ATOM 1481 O LEU X 89 80.659 6.656 -14.650 1.00 1.00 O ATOM 1482 CB LEU X 89 83.294 4.633 -14.447 1.00 1.00 C ATOM 1483 CG LEU X 89 84.366 4.163 -15.432 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.867 2.778 -15.021 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.768 4.090 -16.839 1.00 1.00 C ATOM 0 H LEU X 89 84.810 6.424 -13.611 1.00 1.00 H new ATOM 0 HA LEU X 89 82.917 6.299 -15.758 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.635 4.481 -13.423 1.00 1.00 H new ATOM 0 HB3 LEU X 89 82.386 4.042 -14.572 1.00 1.00 H new ATOM 0 HG LEU X 89 85.198 4.867 -15.425 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.631 2.444 -15.723 1.00 1.00 H new ATOM 0 HD12 LEU X 89 85.293 2.828 -14.019 1.00 1.00 H new ATOM 0 HD13 LEU X 89 84.035 2.074 -15.027 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.531 3.755 -17.542 1.00 1.00 H new ATOM 0 HD22 LEU X 89 82.936 3.386 -16.845 1.00 1.00 H new ATOM 0 HD23 LEU X 89 83.411 5.077 -17.134 1.00 1.00 H new ATOM 1497 N ILE X 90 81.680 6.606 -12.707 1.00 1.00 N ATOM 1498 CA ILE X 90 80.424 6.950 -11.985 1.00 1.00 C ATOM 1499 C ILE X 90 80.147 8.447 -12.130 1.00 1.00 C ATOM 1500 O ILE X 90 79.016 8.867 -12.279 1.00 1.00 O ATOM 1501 CB ILE X 90 80.576 6.600 -10.503 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.705 7.436 -9.896 1.00 1.00 C ATOM 1503 CG2 ILE X 90 80.912 5.114 -10.360 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.128 6.828 -8.557 1.00 1.00 C ATOM 0 H ILE X 90 82.501 6.483 -12.115 1.00 1.00 H new ATOM 0 HA ILE X 90 79.594 6.384 -12.409 1.00 1.00 H new ATOM 0 HB ILE X 90 79.642 6.813 -9.983 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.555 7.468 -10.578 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.373 8.464 -9.752 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.020 4.865 -9.304 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.110 4.516 -10.793 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.846 4.900 -10.881 1.00 1.00 H new ATOM 0 HD11 ILE X 90 82.932 7.424 -8.125 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.277 6.819 -7.876 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.477 5.807 -8.715 1.00 1.00 H new ATOM 1516 N ASP X 91 81.169 9.256 -12.089 1.00 1.00 N ATOM 1517 CA ASP X 91 80.963 10.726 -12.226 1.00 1.00 C ATOM 1518 C ASP X 91 80.322 11.027 -13.583 1.00 1.00 C ATOM 1519 O ASP X 91 79.390 11.800 -13.681 1.00 1.00 O ATOM 1520 CB ASP X 91 82.312 11.442 -12.128 1.00 1.00 C ATOM 1521 CG ASP X 91 82.104 12.950 -12.284 1.00 1.00 C ATOM 1522 OD1 ASP X 91 80.987 13.346 -12.576 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.064 13.682 -12.107 1.00 1.00 O ATOM 0 H ASP X 91 82.138 8.963 -11.967 1.00 1.00 H new ATOM 0 HA ASP X 91 80.307 11.077 -11.429 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.781 11.227 -11.168 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.987 11.076 -12.902 1.00 1.00 H new ATOM 1528 N LYS X 92 80.813 10.422 -14.629 1.00 1.00 N ATOM 1529 CA LYS X 92 80.226 10.667 -15.977 1.00 1.00 C ATOM 1530 C LYS X 92 78.764 10.214 -15.989 1.00 1.00 C ATOM 1531 O LYS X 92 77.901 10.884 -16.522 1.00 1.00 O ATOM 1532 CB LYS X 92 81.014 9.880 -17.026 1.00 1.00 C ATOM 1533 CG LYS X 92 80.543 10.277 -18.426 1.00 1.00 C ATOM 1534 CD LYS X 92 81.338 9.498 -19.474 1.00 1.00 C ATOM 1535 CE LYS X 92 80.875 9.905 -20.874 1.00 1.00 C ATOM 1536 NZ LYS X 92 81.652 9.146 -21.895 1.00 1.00 N ATOM 0 H LYS X 92 81.596 9.768 -14.609 1.00 1.00 H new ATOM 0 HA LYS X 92 80.277 11.731 -16.207 1.00 1.00 H new ATOM 0 HB2 LYS X 92 82.080 10.080 -16.920 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.873 8.810 -16.874 1.00 1.00 H new ATOM 0 HG2 LYS X 92 79.478 10.070 -18.535 1.00 1.00 H new ATOM 0 HG3 LYS X 92 80.677 11.348 -18.576 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.403 9.698 -19.360 1.00 1.00 H new ATOM 0 HD3 LYS X 92 81.197 8.427 -19.330 1.00 1.00 H new ATOM 0 HE2 LYS X 92 79.810 9.704 -20.989 1.00 1.00 H new ATOM 0 HE3 LYS X 92 81.015 10.976 -21.018 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 81.337 9.423 -22.847 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 82.665 9.359 -21.790 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 81.497 8.126 -21.762 1.00 1.00 H new ATOM 1550 N LYS X 93 78.480 9.081 -15.408 1.00 1.00 N ATOM 1551 CA LYS X 93 77.074 8.582 -15.394 1.00 1.00 C ATOM 1552 C LYS X 93 76.242 9.427 -14.428 1.00 1.00 C ATOM 1553 O LYS X 93 76.730 9.894 -13.418 1.00 1.00 O ATOM 1554 CB LYS X 93 77.056 7.120 -14.942 1.00 1.00 C ATOM 1555 CG LYS X 93 77.875 6.273 -15.918 1.00 1.00 C ATOM 1556 CD LYS X 93 76.994 5.864 -17.101 1.00 1.00 C ATOM 1557 CE LYS X 93 77.797 4.971 -18.049 1.00 1.00 C ATOM 1558 NZ LYS X 93 76.898 4.449 -19.117 1.00 1.00 N ATOM 0 H LYS X 93 79.159 8.479 -14.943 1.00 1.00 H new ATOM 0 HA LYS X 93 76.652 8.657 -16.396 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.467 7.034 -13.936 1.00 1.00 H new ATOM 0 HB3 LYS X 93 76.030 6.754 -14.899 1.00 1.00 H new ATOM 0 HG2 LYS X 93 78.738 6.838 -16.271 1.00 1.00 H new ATOM 0 HG3 LYS X 93 78.259 5.387 -15.413 1.00 1.00 H new ATOM 0 HD2 LYS X 93 76.111 5.333 -16.745 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.642 6.750 -17.629 1.00 1.00 H new ATOM 0 HE2 LYS X 93 78.617 5.537 -18.492 1.00 1.00 H new ATOM 0 HE3 LYS X 93 78.243 4.144 -17.497 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 77.442 3.842 -19.763 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 76.131 3.896 -18.685 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 76.493 5.245 -19.650 1.00 1.00 H new ATOM 1572 N GLU X 94 74.987 9.624 -14.727 1.00 1.00 N ATOM 1573 CA GLU X 94 74.120 10.426 -13.818 1.00 1.00 C ATOM 1574 C GLU X 94 73.241 9.487 -12.989 1.00 1.00 C ATOM 1575 O GLU X 94 72.173 9.089 -13.410 1.00 1.00 O ATOM 1576 CB GLU X 94 73.233 11.354 -14.651 1.00 1.00 C ATOM 1577 CG GLU X 94 74.100 12.412 -15.337 1.00 1.00 C ATOM 1578 CD GLU X 94 74.703 13.341 -14.284 1.00 1.00 C ATOM 1579 OE1 GLU X 94 74.174 13.383 -13.185 1.00 1.00 O ATOM 1580 OE2 GLU X 94 75.684 13.997 -14.593 1.00 1.00 O ATOM 0 H GLU X 94 74.524 9.264 -15.562 1.00 1.00 H new ATOM 0 HA GLU X 94 74.744 11.020 -13.150 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.686 10.778 -15.397 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.491 11.835 -14.013 1.00 1.00 H new ATOM 0 HG2 GLU X 94 74.893 11.931 -15.910 1.00 1.00 H new ATOM 0 HG3 GLU X 94 73.500 12.986 -16.043 1.00 1.00 H new ATOM 1587 N VAL X 95 73.680 9.132 -11.814 1.00 1.00 N ATOM 1588 CA VAL X 95 72.868 8.223 -10.957 1.00 1.00 C ATOM 1589 C VAL X 95 72.041 9.052 -9.970 1.00 1.00 C ATOM 1590 O VAL X 95 72.259 10.235 -9.804 1.00 1.00 O ATOM 1591 CB VAL X 95 73.797 7.288 -10.181 1.00 1.00 C ATOM 1592 CG1 VAL X 95 74.751 8.117 -9.319 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.963 6.373 -9.283 1.00 1.00 C ATOM 0 H VAL X 95 74.567 9.432 -11.409 1.00 1.00 H new ATOM 0 HA VAL X 95 72.200 7.634 -11.586 1.00 1.00 H new ATOM 0 HB VAL X 95 74.373 6.684 -10.882 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.413 7.451 -8.766 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.345 8.770 -9.959 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.176 8.721 -8.618 1.00 1.00 H new ATOM 0 HG21 VAL X 95 73.624 5.706 -8.729 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.387 6.977 -8.582 1.00 1.00 H new ATOM 0 HG23 VAL X 95 72.283 5.783 -9.897 1.00 1.00 H new ATOM 1603 N ASN X 96 71.092 8.441 -9.316 1.00 1.00 N ATOM 1604 CA ASN X 96 70.249 9.195 -8.345 1.00 1.00 C ATOM 1605 C ASN X 96 70.273 8.489 -6.988 1.00 1.00 C ATOM 1606 O ASN X 96 69.369 7.751 -6.647 1.00 1.00 O ATOM 1607 CB ASN X 96 68.811 9.262 -8.861 1.00 1.00 C ATOM 1608 CG ASN X 96 68.063 10.391 -8.148 1.00 1.00 C ATOM 1609 OD1 ASN X 96 68.673 11.275 -7.579 1.00 1.00 O ATOM 1610 ND2 ASN X 96 66.759 10.400 -8.154 1.00 1.00 N ATOM 0 H ASN X 96 70.863 7.452 -9.412 1.00 1.00 H new ATOM 0 HA ASN X 96 70.642 10.206 -8.234 1.00 1.00 H new ATOM 0 HB2 ASN X 96 68.808 9.433 -9.938 1.00 1.00 H new ATOM 0 HB3 ASN X 96 68.307 8.311 -8.687 1.00 1.00 H new ATOM 0 HD21 ASN X 96 66.252 11.148 -7.682 1.00 1.00 H new ATOM 0 HD22 ASN X 96 66.246 9.659 -8.631 1.00 1.00 H new ATOM 1617 N PRO X 97 71.306 8.715 -6.223 1.00 1.00 N ATOM 1618 CA PRO X 97 71.469 8.089 -4.879 1.00 1.00 C ATOM 1619 C PRO X 97 70.692 8.838 -3.792 1.00 1.00 C ATOM 1620 O PRO X 97 69.769 9.576 -4.073 1.00 1.00 O ATOM 1621 CB PRO X 97 72.973 8.181 -4.621 1.00 1.00 C ATOM 1622 CG PRO X 97 73.444 9.342 -5.432 1.00 1.00 C ATOM 1623 CD PRO X 97 72.435 9.595 -6.559 1.00 1.00 C ATOM 0 HA PRO X 97 71.083 7.070 -4.855 1.00 1.00 H new ATOM 0 HB2 PRO X 97 73.181 8.331 -3.562 1.00 1.00 H new ATOM 0 HB3 PRO X 97 73.480 7.263 -4.918 1.00 1.00 H new ATOM 0 HG2 PRO X 97 73.539 10.228 -4.804 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.431 9.138 -5.847 1.00 1.00 H new ATOM 0 HD2 PRO X 97 72.130 10.641 -6.596 1.00 1.00 H new ATOM 0 HD3 PRO X 97 72.856 9.351 -7.535 1.00 1.00 H new ATOM 1631 N GLN X 98 71.059 8.653 -2.553 1.00 1.00 N ATOM 1632 CA GLN X 98 70.337 9.350 -1.452 1.00 1.00 C ATOM 1633 C GLN X 98 70.541 10.861 -1.586 1.00 1.00 C ATOM 1634 O GLN X 98 69.618 11.638 -1.431 1.00 1.00 O ATOM 1635 CB GLN X 98 70.886 8.878 -0.103 1.00 1.00 C ATOM 1636 CG GLN X 98 70.540 7.402 0.102 1.00 1.00 C ATOM 1637 CD GLN X 98 69.024 7.247 0.243 1.00 1.00 C ATOM 1638 OE1 GLN X 98 68.398 7.947 1.014 1.00 1.00 O ATOM 1639 NE2 GLN X 98 68.404 6.350 -0.476 1.00 1.00 N ATOM 0 H GLN X 98 71.826 8.050 -2.256 1.00 1.00 H new ATOM 0 HA GLN X 98 69.273 9.120 -1.511 1.00 1.00 H new ATOM 0 HB2 GLN X 98 71.967 9.017 -0.070 1.00 1.00 H new ATOM 0 HB3 GLN X 98 70.463 9.477 0.703 1.00 1.00 H new ATOM 0 HG2 GLN X 98 70.899 6.813 -0.742 1.00 1.00 H new ATOM 0 HG3 GLN X 98 71.039 7.021 0.993 1.00 1.00 H new ATOM 0 HE21 GLN X 98 68.930 5.763 -1.123 1.00 1.00 H new ATOM 0 HE22 GLN X 98 67.394 6.237 -0.390 1.00 1.00 H new ATOM 1648 N VAL X 99 71.742 11.284 -1.873 1.00 1.00 N ATOM 1649 CA VAL X 99 72.005 12.743 -2.018 1.00 1.00 C ATOM 1650 C VAL X 99 72.645 13.014 -3.381 1.00 1.00 C ATOM 1651 O VAL X 99 73.594 12.364 -3.772 1.00 1.00 O ATOM 1652 CB VAL X 99 72.952 13.204 -0.909 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.444 14.620 -1.212 1.00 1.00 C ATOM 1654 CG2 VAL X 99 72.208 13.200 0.429 1.00 1.00 C ATOM 0 H VAL X 99 72.553 10.681 -2.013 1.00 1.00 H new ATOM 0 HA VAL X 99 71.065 13.290 -1.943 1.00 1.00 H new ATOM 0 HB VAL X 99 73.805 12.527 -0.855 1.00 1.00 H new ATOM 0 HG11 VAL X 99 74.119 14.948 -0.421 1.00 1.00 H new ATOM 0 HG12 VAL X 99 73.972 14.625 -2.165 1.00 1.00 H new ATOM 0 HG13 VAL X 99 72.592 15.298 -1.266 1.00 1.00 H new ATOM 0 HG21 VAL X 99 72.881 13.528 1.221 1.00 1.00 H new ATOM 0 HG22 VAL X 99 71.356 13.877 0.373 1.00 1.00 H new ATOM 0 HG23 VAL X 99 71.856 12.192 0.647 1.00 1.00 H new ATOM 1664 N MET X 100 72.133 13.970 -4.108 1.00 1.00 N ATOM 1665 CA MET X 100 72.717 14.282 -5.443 1.00 1.00 C ATOM 1666 C MET X 100 73.897 15.241 -5.273 1.00 1.00 C ATOM 1667 O MET X 100 73.698 16.431 -5.455 1.00 1.00 O ATOM 1668 CB MET X 100 71.650 14.936 -6.323 1.00 1.00 C ATOM 1669 CG MET X 100 72.212 15.151 -7.730 1.00 1.00 C ATOM 1670 SD MET X 100 70.928 15.866 -8.788 1.00 1.00 S ATOM 1671 CE MET X 100 71.264 17.603 -8.411 1.00 1.00 C ATOM 1672 OXT MET X 100 74.978 14.769 -4.964 1.00 1.00 O ATOM 0 H MET X 100 71.337 14.547 -3.836 1.00 1.00 H new ATOM 0 HA MET X 100 73.063 13.362 -5.913 1.00 1.00 H new ATOM 0 HB2 MET X 100 70.762 14.305 -6.367 1.00 1.00 H new ATOM 0 HB3 MET X 100 71.343 15.889 -5.893 1.00 1.00 H new ATOM 0 HG2 MET X 100 73.077 15.813 -7.691 1.00 1.00 H new ATOM 0 HG3 MET X 100 72.555 14.203 -8.145 1.00 1.00 H new ATOM 0 HE1 MET X 100 70.573 18.236 -8.967 1.00 1.00 H new ATOM 0 HE2 MET X 100 71.134 17.775 -7.343 1.00 1.00 H new ATOM 0 HE3 MET X 100 72.288 17.846 -8.696 1.00 1.00 H new TER 1682 MET X 100