USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ 174:sc= 0.0365 (180deg=0) USER MOD Set 1.2: A 59 CYS SG : rot 170:sc= -0.481 USER MOD Set 2.1: A 17 ASN : amide:sc= -0.147 K(o=0.75,f=-2.1) USER MOD Set 2.2: A 34 TYR OH : rot 70:sc= 0.895 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 70:sc= 0.0482 USER MOD Single : A 11 GLN : amide:sc= -0.7 X(o=-0.7,f=-0.21) USER MOD Single : A 13 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.06) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 178:sc=-0.00629 (180deg=-0.0156) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.56) USER MOD Single : A 28 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 31 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 170:sc= 0 USER MOD Single : A 60 THR OG1 : rot -69:sc= 1.29 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 49:sc= 0.0582 USER MOD Single : A 97 SER OG : rot 33:sc= 0.849 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.974 -2.624 -5.708 1.00 0.00 N ATOM 2 CA GLY A 1 16.554 -2.733 -5.995 1.00 0.00 C ATOM 3 C GLY A 1 16.265 -2.414 -7.464 1.00 0.00 C ATOM 4 O GLY A 1 16.466 -3.257 -8.337 1.00 0.00 O ATOM 0 H1 GLY A 1 18.144 -2.845 -4.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.501 -3.293 -6.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.295 -1.655 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.209 -3.741 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.996 -2.050 -5.354 1.00 0.00 H new ATOM 8 N SER A 2 15.797 -1.196 -7.691 1.00 0.00 N ATOM 9 CA SER A 2 15.478 -0.755 -9.038 1.00 0.00 C ATOM 10 C SER A 2 15.789 0.735 -9.189 1.00 0.00 C ATOM 11 O SER A 2 15.373 1.547 -8.363 1.00 0.00 O ATOM 12 CB SER A 2 14.011 -1.027 -9.374 1.00 0.00 C ATOM 13 OG SER A 2 13.750 -2.419 -9.539 1.00 0.00 O ATOM 0 H SER A 2 15.631 -0.500 -6.964 1.00 0.00 H new ATOM 0 HA SER A 2 16.094 -1.321 -9.737 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.378 -0.631 -8.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.744 -0.497 -10.288 1.00 0.00 H new ATOM 0 HG SER A 2 12.802 -2.551 -9.751 1.00 0.00 H new ATOM 19 N SER A 3 16.519 1.050 -10.249 1.00 0.00 N ATOM 20 CA SER A 3 16.891 2.429 -10.518 1.00 0.00 C ATOM 21 C SER A 3 16.201 2.917 -11.794 1.00 0.00 C ATOM 22 O SER A 3 16.190 2.217 -12.805 1.00 0.00 O ATOM 23 CB SER A 3 18.408 2.575 -10.646 1.00 0.00 C ATOM 24 OG SER A 3 18.797 3.927 -10.875 1.00 0.00 O ATOM 0 H SER A 3 16.863 0.374 -10.931 1.00 0.00 H new ATOM 0 HA SER A 3 16.564 3.042 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.885 2.209 -9.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.764 1.951 -11.466 1.00 0.00 H new ATOM 0 HG SER A 3 19.773 3.979 -10.949 1.00 0.00 H new ATOM 30 N GLY A 4 15.643 4.116 -11.705 1.00 0.00 N ATOM 31 CA GLY A 4 14.953 4.706 -12.839 1.00 0.00 C ATOM 32 C GLY A 4 13.928 5.744 -12.378 1.00 0.00 C ATOM 33 O GLY A 4 14.089 6.936 -12.632 1.00 0.00 O ATOM 0 H GLY A 4 15.655 4.694 -10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.677 5.175 -13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.453 3.925 -13.411 1.00 0.00 H new ATOM 37 N SER A 5 12.896 5.252 -11.708 1.00 0.00 N ATOM 38 CA SER A 5 11.844 6.122 -11.209 1.00 0.00 C ATOM 39 C SER A 5 11.167 6.847 -12.374 1.00 0.00 C ATOM 40 O SER A 5 11.796 7.654 -13.057 1.00 0.00 O ATOM 41 CB SER A 5 12.398 7.134 -10.204 1.00 0.00 C ATOM 42 OG SER A 5 11.916 6.895 -8.885 1.00 0.00 O ATOM 0 H SER A 5 12.766 4.262 -11.499 1.00 0.00 H new ATOM 0 HA SER A 5 11.106 5.506 -10.695 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.487 7.088 -10.206 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.121 8.142 -10.514 1.00 0.00 H new ATOM 0 HG SER A 5 12.294 7.561 -8.273 1.00 0.00 H new ATOM 48 N SER A 6 9.895 6.532 -12.566 1.00 0.00 N ATOM 49 CA SER A 6 9.126 7.143 -13.637 1.00 0.00 C ATOM 50 C SER A 6 7.751 6.480 -13.737 1.00 0.00 C ATOM 51 O SER A 6 7.654 5.265 -13.903 1.00 0.00 O ATOM 52 CB SER A 6 9.864 7.039 -14.973 1.00 0.00 C ATOM 53 OG SER A 6 10.248 8.318 -15.471 1.00 0.00 O ATOM 0 H SER A 6 9.377 5.861 -11.998 1.00 0.00 H new ATOM 0 HA SER A 6 8.997 8.200 -13.406 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.750 6.417 -14.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.225 6.543 -15.703 1.00 0.00 H new ATOM 0 HG SER A 6 10.956 8.690 -14.905 1.00 0.00 H new ATOM 59 N GLY A 7 6.721 7.308 -13.633 1.00 0.00 N ATOM 60 CA GLY A 7 5.356 6.817 -13.710 1.00 0.00 C ATOM 61 C GLY A 7 4.767 6.613 -12.313 1.00 0.00 C ATOM 62 O GLY A 7 5.136 5.674 -11.611 1.00 0.00 O ATOM 0 H GLY A 7 6.805 8.315 -13.496 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.742 7.524 -14.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.335 5.875 -14.259 1.00 0.00 H new ATOM 66 N LEU A 8 3.860 7.509 -11.951 1.00 0.00 N ATOM 67 CA LEU A 8 3.216 7.439 -10.650 1.00 0.00 C ATOM 68 C LEU A 8 2.850 5.986 -10.345 1.00 0.00 C ATOM 69 O LEU A 8 3.452 5.360 -9.473 1.00 0.00 O ATOM 70 CB LEU A 8 2.026 8.399 -10.589 1.00 0.00 C ATOM 71 CG LEU A 8 2.368 9.881 -10.423 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.100 10.736 -10.392 1.00 0.00 C ATOM 73 CD2 LEU A 8 3.242 10.107 -9.188 1.00 0.00 C ATOM 0 H LEU A 8 3.556 8.287 -12.536 1.00 0.00 H new ATOM 0 HA LEU A 8 3.901 7.767 -9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.442 8.281 -11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.385 8.099 -9.760 1.00 0.00 H new ATOM 0 HG LEU A 8 2.948 10.197 -11.290 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.371 11.785 -10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.551 10.607 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.473 10.427 -9.556 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.471 11.169 -9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.709 9.770 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.170 9.544 -9.291 1.00 0.00 H new ATOM 85 N ARG A 9 1.864 5.490 -11.079 1.00 0.00 N ATOM 86 CA ARG A 9 1.411 4.122 -10.898 1.00 0.00 C ATOM 87 C ARG A 9 2.602 3.197 -10.640 1.00 0.00 C ATOM 88 O ARG A 9 2.560 2.361 -9.740 1.00 0.00 O ATOM 89 CB ARG A 9 0.647 3.627 -12.127 1.00 0.00 C ATOM 90 CG ARG A 9 -0.716 3.055 -11.733 1.00 0.00 C ATOM 91 CD ARG A 9 -0.987 1.734 -12.456 1.00 0.00 C ATOM 92 NE ARG A 9 -1.058 1.962 -13.916 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.329 1.005 -14.814 1.00 0.00 C ATOM 94 NH1 ARG A 9 -1.557 -0.251 -14.405 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.373 1.303 -16.119 1.00 0.00 N ATOM 0 H ARG A 9 1.366 6.012 -11.800 1.00 0.00 H new ATOM 0 HA ARG A 9 0.742 4.107 -10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.511 4.449 -12.830 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.232 2.863 -12.639 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.750 2.897 -10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.499 3.773 -11.975 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.198 1.017 -12.229 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.922 1.301 -12.101 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.890 2.907 -14.261 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.524 -0.478 -13.411 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -1.763 -0.980 -15.088 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.200 2.259 -16.430 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.579 0.574 -16.802 1.00 0.00 H new ATOM 109 N GLU A 10 3.637 3.379 -11.448 1.00 0.00 N ATOM 110 CA GLU A 10 4.838 2.572 -11.319 1.00 0.00 C ATOM 111 C GLU A 10 5.458 2.761 -9.933 1.00 0.00 C ATOM 112 O GLU A 10 5.820 1.788 -9.273 1.00 0.00 O ATOM 113 CB GLU A 10 5.845 2.907 -12.421 1.00 0.00 C ATOM 114 CG GLU A 10 5.812 1.857 -13.533 1.00 0.00 C ATOM 115 CD GLU A 10 6.269 0.492 -13.012 1.00 0.00 C ATOM 116 OE1 GLU A 10 7.501 0.297 -12.938 1.00 0.00 O ATOM 117 OE2 GLU A 10 5.375 -0.324 -12.700 1.00 0.00 O ATOM 0 H GLU A 10 3.668 4.074 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 10 4.562 1.524 -11.432 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.621 3.889 -12.837 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.848 2.962 -11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.801 1.778 -13.933 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.456 2.171 -14.354 1.00 0.00 H new ATOM 124 N GLN A 11 5.562 4.020 -9.533 1.00 0.00 N ATOM 125 CA GLN A 11 6.132 4.348 -8.238 1.00 0.00 C ATOM 126 C GLN A 11 5.426 3.562 -7.132 1.00 0.00 C ATOM 127 O GLN A 11 6.048 2.750 -6.449 1.00 0.00 O ATOM 128 CB GLN A 11 6.059 5.854 -7.973 1.00 0.00 C ATOM 129 CG GLN A 11 7.316 6.562 -8.483 1.00 0.00 C ATOM 130 CD GLN A 11 7.668 7.760 -7.598 1.00 0.00 C ATOM 131 OE1 GLN A 11 8.559 7.709 -6.767 1.00 0.00 O ATOM 132 NE2 GLN A 11 6.920 8.836 -7.824 1.00 0.00 N ATOM 0 H GLN A 11 5.261 4.825 -10.083 1.00 0.00 H new ATOM 0 HA GLN A 11 7.184 4.063 -8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.179 6.271 -8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.944 6.034 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.151 5.861 -8.501 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.159 6.897 -9.508 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.190 8.809 -8.536 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.076 9.688 -7.285 1.00 0.00 H new ATOM 141 N VAL A 12 4.137 3.831 -6.989 1.00 0.00 N ATOM 142 CA VAL A 12 3.339 3.159 -5.978 1.00 0.00 C ATOM 143 C VAL A 12 3.465 1.645 -6.158 1.00 0.00 C ATOM 144 O VAL A 12 3.717 0.920 -5.196 1.00 0.00 O ATOM 145 CB VAL A 12 1.891 3.650 -6.041 1.00 0.00 C ATOM 146 CG1 VAL A 12 1.075 3.103 -4.868 1.00 0.00 C ATOM 147 CG2 VAL A 12 1.832 5.178 -6.085 1.00 0.00 C ATOM 0 H VAL A 12 3.625 4.506 -7.557 1.00 0.00 H new ATOM 0 HA VAL A 12 3.706 3.400 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 12 1.448 3.271 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.050 3.467 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.076 2.013 -4.901 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.517 3.438 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.792 5.501 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.301 5.586 -5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.361 5.537 -6.967 1.00 0.00 H new ATOM 157 N GLN A 13 3.284 1.212 -7.397 1.00 0.00 N ATOM 158 CA GLN A 13 3.375 -0.203 -7.716 1.00 0.00 C ATOM 159 C GLN A 13 4.665 -0.795 -7.144 1.00 0.00 C ATOM 160 O GLN A 13 4.723 -1.984 -6.834 1.00 0.00 O ATOM 161 CB GLN A 13 3.290 -0.431 -9.226 1.00 0.00 C ATOM 162 CG GLN A 13 1.855 -0.745 -9.654 1.00 0.00 C ATOM 163 CD GLN A 13 1.823 -1.884 -10.674 1.00 0.00 C ATOM 164 OE1 GLN A 13 1.317 -1.751 -11.776 1.00 0.00 O ATOM 165 NE2 GLN A 13 2.390 -3.009 -10.247 1.00 0.00 N ATOM 0 H GLN A 13 3.075 1.816 -8.192 1.00 0.00 H new ATOM 0 HA GLN A 13 2.529 -0.714 -7.256 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.644 0.456 -9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.946 -1.253 -9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.263 -1.018 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.397 0.146 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.795 -3.053 -9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.419 -3.828 -10.855 1.00 0.00 H new ATOM 174 N ASP A 14 5.667 0.063 -7.020 1.00 0.00 N ATOM 175 CA ASP A 14 6.953 -0.360 -6.491 1.00 0.00 C ATOM 176 C ASP A 14 6.972 -0.142 -4.976 1.00 0.00 C ATOM 177 O ASP A 14 7.483 -0.978 -4.232 1.00 0.00 O ATOM 178 CB ASP A 14 8.095 0.455 -7.101 1.00 0.00 C ATOM 179 CG ASP A 14 9.325 -0.359 -7.508 1.00 0.00 C ATOM 180 OD1 ASP A 14 9.269 -0.963 -8.601 1.00 0.00 O ATOM 181 OD2 ASP A 14 10.293 -0.359 -6.717 1.00 0.00 O ATOM 0 H ASP A 14 5.615 1.049 -7.277 1.00 0.00 H new ATOM 0 HA ASP A 14 7.090 -1.413 -6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.718 0.979 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.402 1.215 -6.383 1.00 0.00 H new ATOM 186 N LEU A 15 6.410 0.985 -4.566 1.00 0.00 N ATOM 187 CA LEU A 15 6.357 1.323 -3.154 1.00 0.00 C ATOM 188 C LEU A 15 5.892 0.102 -2.358 1.00 0.00 C ATOM 189 O LEU A 15 6.681 -0.515 -1.644 1.00 0.00 O ATOM 190 CB LEU A 15 5.492 2.566 -2.933 1.00 0.00 C ATOM 191 CG LEU A 15 5.208 2.936 -1.476 1.00 0.00 C ATOM 192 CD1 LEU A 15 6.494 3.345 -0.754 1.00 0.00 C ATOM 193 CD2 LEU A 15 4.130 4.018 -1.384 1.00 0.00 C ATOM 0 H LEU A 15 5.987 1.676 -5.186 1.00 0.00 H new ATOM 0 HA LEU A 15 7.350 1.584 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.980 3.414 -3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.539 2.416 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 15 4.820 2.052 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.264 3.603 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.201 2.516 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.934 4.208 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.948 4.262 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.465 4.911 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.208 3.653 -1.837 1.00 0.00 H new ATOM 205 N PHE A 16 4.614 -0.211 -2.508 1.00 0.00 N ATOM 206 CA PHE A 16 4.035 -1.348 -1.813 1.00 0.00 C ATOM 207 C PHE A 16 4.896 -2.599 -1.996 1.00 0.00 C ATOM 208 O PHE A 16 5.111 -3.354 -1.048 1.00 0.00 O ATOM 209 CB PHE A 16 2.657 -1.596 -2.430 1.00 0.00 C ATOM 210 CG PHE A 16 1.654 -0.467 -2.187 1.00 0.00 C ATOM 211 CD1 PHE A 16 1.657 0.202 -1.004 1.00 0.00 C ATOM 212 CD2 PHE A 16 0.758 -0.134 -3.155 1.00 0.00 C ATOM 213 CE1 PHE A 16 0.726 1.250 -0.778 1.00 0.00 C ATOM 214 CE2 PHE A 16 -0.173 0.914 -2.929 1.00 0.00 C ATOM 215 CZ PHE A 16 -0.170 1.584 -1.746 1.00 0.00 C ATOM 0 H PHE A 16 3.962 0.303 -3.101 1.00 0.00 H new ATOM 0 HA PHE A 16 3.970 -1.138 -0.745 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.772 -1.741 -3.504 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.250 -2.523 -2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.368 -0.064 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.755 -0.666 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.729 1.782 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.884 1.179 -3.697 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.878 2.381 -1.575 1.00 0.00 H new ATOM 225 N ASN A 17 5.365 -2.781 -3.222 1.00 0.00 N ATOM 226 CA ASN A 17 6.198 -3.928 -3.541 1.00 0.00 C ATOM 227 C ASN A 17 7.458 -3.896 -2.673 1.00 0.00 C ATOM 228 O ASN A 17 7.918 -4.935 -2.203 1.00 0.00 O ATOM 229 CB ASN A 17 6.634 -3.901 -5.008 1.00 0.00 C ATOM 230 CG ASN A 17 5.598 -4.588 -5.900 1.00 0.00 C ATOM 231 OD1 ASN A 17 4.477 -4.857 -5.501 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.034 -4.857 -7.127 1.00 0.00 N ATOM 0 H ASN A 17 5.184 -2.154 -4.006 1.00 0.00 H new ATOM 0 HA ASN A 17 5.615 -4.830 -3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.771 -2.869 -5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.598 -4.399 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.418 -5.315 -7.798 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.985 -4.605 -7.397 1.00 0.00 H new ATOM 239 N LYS A 18 7.980 -2.693 -2.488 1.00 0.00 N ATOM 240 CA LYS A 18 9.177 -2.512 -1.685 1.00 0.00 C ATOM 241 C LYS A 18 8.822 -2.668 -0.205 1.00 0.00 C ATOM 242 O LYS A 18 9.367 -3.532 0.479 1.00 0.00 O ATOM 243 CB LYS A 18 9.849 -1.178 -2.019 1.00 0.00 C ATOM 244 CG LYS A 18 11.370 -1.333 -2.088 1.00 0.00 C ATOM 245 CD LYS A 18 11.938 -0.628 -3.321 1.00 0.00 C ATOM 246 CE LYS A 18 13.453 -0.452 -3.204 1.00 0.00 C ATOM 247 NZ LYS A 18 13.826 0.968 -3.393 1.00 0.00 N ATOM 0 H LYS A 18 7.596 -1.834 -2.881 1.00 0.00 H new ATOM 0 HA LYS A 18 9.913 -3.281 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.474 -0.806 -2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.589 -0.436 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.822 -0.919 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.630 -2.391 -2.118 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.704 -1.206 -4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.463 0.346 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.791 -0.796 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.955 -1.068 -3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.858 1.070 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.521 1.285 -4.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.362 1.549 -2.666 1.00 0.00 H new ATOM 261 N LYS A 19 7.910 -1.818 0.244 1.00 0.00 N ATOM 262 CA LYS A 19 7.476 -1.851 1.631 1.00 0.00 C ATOM 263 C LYS A 19 7.225 -3.302 2.047 1.00 0.00 C ATOM 264 O LYS A 19 7.564 -3.699 3.161 1.00 0.00 O ATOM 265 CB LYS A 19 6.269 -0.934 1.836 1.00 0.00 C ATOM 266 CG LYS A 19 6.685 0.538 1.795 1.00 0.00 C ATOM 267 CD LYS A 19 7.108 1.027 3.181 1.00 0.00 C ATOM 268 CE LYS A 19 7.719 2.427 3.106 1.00 0.00 C ATOM 269 NZ LYS A 19 7.936 2.972 4.465 1.00 0.00 N ATOM 0 H LYS A 19 7.460 -1.103 -0.327 1.00 0.00 H new ATOM 0 HA LYS A 19 8.257 -1.462 2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.526 -1.127 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.798 -1.156 2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.509 0.667 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.856 1.144 1.429 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.244 1.039 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.831 0.333 3.610 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.666 2.388 2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.060 3.088 2.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.382 3.909 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.022 3.059 4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.556 2.332 5.001 1.00 0.00 H new ATOM 283 N TYR A 20 6.632 -4.053 1.131 1.00 0.00 N ATOM 284 CA TYR A 20 6.331 -5.451 1.389 1.00 0.00 C ATOM 285 C TYR A 20 7.579 -6.203 1.856 1.00 0.00 C ATOM 286 O TYR A 20 7.578 -6.814 2.923 1.00 0.00 O ATOM 287 CB TYR A 20 5.867 -6.036 0.054 1.00 0.00 C ATOM 288 CG TYR A 20 5.423 -7.498 0.136 1.00 0.00 C ATOM 289 CD1 TYR A 20 4.470 -7.879 1.058 1.00 0.00 C ATOM 290 CD2 TYR A 20 5.977 -8.435 -0.712 1.00 0.00 C ATOM 291 CE1 TYR A 20 4.053 -9.256 1.136 1.00 0.00 C ATOM 292 CE2 TYR A 20 5.560 -9.812 -0.635 1.00 0.00 C ATOM 293 CZ TYR A 20 4.618 -10.154 0.285 1.00 0.00 C ATOM 294 OH TYR A 20 4.224 -11.453 0.358 1.00 0.00 O ATOM 0 H TYR A 20 6.352 -3.720 0.209 1.00 0.00 H new ATOM 0 HA TYR A 20 5.577 -5.543 2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.040 -5.436 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.679 -5.953 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 20 4.037 -7.145 1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.723 -8.136 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.309 -9.568 1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.986 -10.556 -1.293 1.00 0.00 H new ATOM 0 HH TYR A 20 4.710 -11.980 -0.310 1.00 0.00 H new ATOM 304 N GLY A 21 8.615 -6.134 1.032 1.00 0.00 N ATOM 305 CA GLY A 21 9.867 -6.801 1.347 1.00 0.00 C ATOM 306 C GLY A 21 10.284 -6.530 2.794 1.00 0.00 C ATOM 307 O GLY A 21 10.782 -7.423 3.478 1.00 0.00 O ATOM 0 H GLY A 21 8.613 -5.627 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.761 -7.874 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.648 -6.456 0.669 1.00 0.00 H new ATOM 311 N GLU A 22 10.067 -5.293 3.217 1.00 0.00 N ATOM 312 CA GLU A 22 10.414 -4.893 4.570 1.00 0.00 C ATOM 313 C GLU A 22 9.588 -5.685 5.586 1.00 0.00 C ATOM 314 O GLU A 22 10.135 -6.244 6.535 1.00 0.00 O ATOM 315 CB GLU A 22 10.223 -3.387 4.762 1.00 0.00 C ATOM 316 CG GLU A 22 11.148 -2.595 3.836 1.00 0.00 C ATOM 317 CD GLU A 22 11.119 -1.103 4.178 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.018 -0.622 4.523 1.00 0.00 O ATOM 319 OE2 GLU A 22 12.198 -0.479 4.086 1.00 0.00 O ATOM 0 H GLU A 22 9.655 -4.555 2.646 1.00 0.00 H new ATOM 0 HA GLU A 22 11.468 -5.116 4.735 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.186 -3.120 4.561 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.426 -3.120 5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.167 -2.972 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.843 -2.740 2.800 1.00 0.00 H new ATOM 326 N ALA A 23 8.284 -5.707 5.352 1.00 0.00 N ATOM 327 CA ALA A 23 7.378 -6.421 6.235 1.00 0.00 C ATOM 328 C ALA A 23 7.863 -7.863 6.400 1.00 0.00 C ATOM 329 O ALA A 23 7.537 -8.522 7.386 1.00 0.00 O ATOM 330 CB ALA A 23 5.955 -6.345 5.676 1.00 0.00 C ATOM 0 H ALA A 23 7.834 -5.242 4.564 1.00 0.00 H new ATOM 0 HA ALA A 23 7.365 -5.963 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.275 -6.881 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.647 -5.302 5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.929 -6.798 4.685 1.00 0.00 H new ATOM 336 N LEU A 24 8.634 -8.310 5.419 1.00 0.00 N ATOM 337 CA LEU A 24 9.168 -9.661 5.444 1.00 0.00 C ATOM 338 C LEU A 24 10.626 -9.621 5.904 1.00 0.00 C ATOM 339 O LEU A 24 11.143 -10.606 6.428 1.00 0.00 O ATOM 340 CB LEU A 24 8.969 -10.340 4.087 1.00 0.00 C ATOM 341 CG LEU A 24 7.535 -10.371 3.556 1.00 0.00 C ATOM 342 CD1 LEU A 24 7.499 -10.839 2.100 1.00 0.00 C ATOM 343 CD2 LEU A 24 6.636 -11.224 4.454 1.00 0.00 C ATOM 0 H LEU A 24 8.901 -7.761 4.602 1.00 0.00 H new ATOM 0 HA LEU A 24 8.624 -10.273 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.596 -9.832 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.331 -11.366 4.160 1.00 0.00 H new ATOM 0 HG LEU A 24 7.141 -9.355 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.468 -10.852 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.085 -10.157 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.919 -11.842 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.622 -11.229 4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.018 -12.244 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.627 -10.807 5.461 1.00 0.00 H new ATOM 355 N GLY A 25 11.249 -8.471 5.690 1.00 0.00 N ATOM 356 CA GLY A 25 12.638 -8.289 6.077 1.00 0.00 C ATOM 357 C GLY A 25 13.567 -8.445 4.871 1.00 0.00 C ATOM 358 O GLY A 25 14.733 -8.058 4.928 1.00 0.00 O ATOM 0 H GLY A 25 10.817 -7.656 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.770 -7.301 6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.905 -9.017 6.843 1.00 0.00 H new ATOM 362 N ILE A 26 13.015 -9.012 3.809 1.00 0.00 N ATOM 363 CA ILE A 26 13.780 -9.224 2.592 1.00 0.00 C ATOM 364 C ILE A 26 14.505 -7.930 2.218 1.00 0.00 C ATOM 365 O ILE A 26 14.185 -6.862 2.739 1.00 0.00 O ATOM 366 CB ILE A 26 12.879 -9.767 1.480 1.00 0.00 C ATOM 367 CG1 ILE A 26 12.694 -11.280 1.614 1.00 0.00 C ATOM 368 CG2 ILE A 26 13.412 -9.374 0.101 1.00 0.00 C ATOM 369 CD1 ILE A 26 11.411 -11.739 0.918 1.00 0.00 C ATOM 0 H ILE A 26 12.047 -9.331 3.766 1.00 0.00 H new ATOM 0 HA ILE A 26 14.545 -9.984 2.751 1.00 0.00 H new ATOM 0 HB ILE A 26 11.894 -9.312 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 26 13.551 -11.795 1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.658 -11.554 2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.753 -9.772 -0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.449 -8.288 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 26 14.414 -9.782 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 26 11.303 -12.818 1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.553 -11.241 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 26 11.461 -11.486 -0.141 1.00 0.00 H new ATOM 381 N LYS A 27 15.469 -8.067 1.319 1.00 0.00 N ATOM 382 CA LYS A 27 16.242 -6.922 0.870 1.00 0.00 C ATOM 383 C LYS A 27 15.899 -6.621 -0.590 1.00 0.00 C ATOM 384 O LYS A 27 15.911 -5.464 -1.009 1.00 0.00 O ATOM 385 CB LYS A 27 17.734 -7.153 1.116 1.00 0.00 C ATOM 386 CG LYS A 27 18.114 -6.803 2.557 1.00 0.00 C ATOM 387 CD LYS A 27 18.462 -5.319 2.687 1.00 0.00 C ATOM 388 CE LYS A 27 18.370 -4.860 4.144 1.00 0.00 C ATOM 389 NZ LYS A 27 19.672 -5.035 4.826 1.00 0.00 N ATOM 0 H LYS A 27 15.732 -8.954 0.890 1.00 0.00 H new ATOM 0 HA LYS A 27 15.981 -6.036 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 27 17.982 -8.195 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.318 -6.546 0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.287 -7.046 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.965 -7.408 2.870 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.469 -5.144 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.784 -4.727 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.070 -3.813 4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.601 -5.432 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.512 -5.219 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 20.180 -5.838 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 20.240 -4.170 4.717 1.00 0.00 H new ATOM 403 N TYR A 28 15.601 -7.682 -1.325 1.00 0.00 N ATOM 404 CA TYR A 28 15.255 -7.546 -2.730 1.00 0.00 C ATOM 405 C TYR A 28 13.774 -7.201 -2.899 1.00 0.00 C ATOM 406 O TYR A 28 12.984 -7.365 -1.970 1.00 0.00 O ATOM 407 CB TYR A 28 15.523 -8.912 -3.364 1.00 0.00 C ATOM 408 CG TYR A 28 14.947 -10.089 -2.575 1.00 0.00 C ATOM 409 CD1 TYR A 28 13.617 -10.427 -2.714 1.00 0.00 C ATOM 410 CD2 TYR A 28 15.758 -10.812 -1.724 1.00 0.00 C ATOM 411 CE1 TYR A 28 13.074 -11.536 -1.972 1.00 0.00 C ATOM 412 CE2 TYR A 28 15.216 -11.920 -0.981 1.00 0.00 C ATOM 413 CZ TYR A 28 13.900 -12.227 -1.142 1.00 0.00 C ATOM 414 OH TYR A 28 13.388 -13.274 -0.440 1.00 0.00 O ATOM 0 H TYR A 28 15.592 -8.640 -0.974 1.00 0.00 H new ATOM 0 HA TYR A 28 15.836 -6.748 -3.193 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.104 -8.923 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 28 16.600 -9.049 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 28 12.983 -9.860 -3.379 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.799 -10.547 -1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 28 12.035 -11.812 -2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.839 -12.494 -0.312 1.00 0.00 H new ATOM 0 HH TYR A 28 14.093 -13.674 0.111 1.00 0.00 H new ATOM 424 N PRO A 29 13.432 -6.716 -4.123 1.00 0.00 N ATOM 425 CA PRO A 29 12.060 -6.346 -4.425 1.00 0.00 C ATOM 426 C PRO A 29 11.192 -7.588 -4.637 1.00 0.00 C ATOM 427 O PRO A 29 11.375 -8.321 -5.608 1.00 0.00 O ATOM 428 CB PRO A 29 12.153 -5.469 -5.663 1.00 0.00 C ATOM 429 CG PRO A 29 13.513 -5.757 -6.277 1.00 0.00 C ATOM 430 CD PRO A 29 14.340 -6.508 -5.247 1.00 0.00 C ATOM 0 HA PRO A 29 11.579 -5.809 -3.607 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.351 -5.698 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.057 -4.415 -5.403 1.00 0.00 H new ATOM 0 HG2 PRO A 29 13.404 -6.350 -7.185 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.008 -4.828 -6.561 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.702 -7.456 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.216 -5.933 -4.947 1.00 0.00 H new ATOM 438 N VAL A 30 10.264 -7.787 -3.711 1.00 0.00 N ATOM 439 CA VAL A 30 9.367 -8.927 -3.784 1.00 0.00 C ATOM 440 C VAL A 30 8.049 -8.494 -4.430 1.00 0.00 C ATOM 441 O VAL A 30 7.727 -7.307 -4.455 1.00 0.00 O ATOM 442 CB VAL A 30 9.179 -9.535 -2.393 1.00 0.00 C ATOM 443 CG1 VAL A 30 8.496 -10.902 -2.479 1.00 0.00 C ATOM 444 CG2 VAL A 30 10.515 -9.635 -1.653 1.00 0.00 C ATOM 0 H VAL A 30 10.115 -7.178 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 30 9.795 -9.709 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 30 8.529 -8.871 -1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.375 -11.312 -1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.518 -10.791 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.109 -11.578 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.353 -10.070 -0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.199 -10.266 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.946 -8.640 -1.544 1.00 0.00 H new ATOM 454 N GLN A 31 7.323 -9.479 -4.937 1.00 0.00 N ATOM 455 CA GLN A 31 6.048 -9.215 -5.581 1.00 0.00 C ATOM 456 C GLN A 31 4.894 -9.579 -4.644 1.00 0.00 C ATOM 457 O GLN A 31 4.680 -10.752 -4.345 1.00 0.00 O ATOM 458 CB GLN A 31 5.936 -9.970 -6.907 1.00 0.00 C ATOM 459 CG GLN A 31 6.780 -9.299 -7.993 1.00 0.00 C ATOM 460 CD GLN A 31 5.896 -8.758 -9.118 1.00 0.00 C ATOM 461 OE1 GLN A 31 4.684 -8.894 -9.110 1.00 0.00 O ATOM 462 NE2 GLN A 31 6.569 -8.138 -10.084 1.00 0.00 N ATOM 0 H GLN A 31 7.594 -10.462 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 31 5.989 -8.149 -5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.264 -11.001 -6.772 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.893 -10.006 -7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.359 -8.485 -7.557 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.493 -10.016 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.584 -8.059 -10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.069 -7.741 -10.880 1.00 0.00 H new ATOM 471 N VAL A 32 4.182 -8.550 -4.207 1.00 0.00 N ATOM 472 CA VAL A 32 3.056 -8.747 -3.310 1.00 0.00 C ATOM 473 C VAL A 32 2.031 -9.665 -3.979 1.00 0.00 C ATOM 474 O VAL A 32 1.691 -9.475 -5.146 1.00 0.00 O ATOM 475 CB VAL A 32 2.470 -7.394 -2.901 1.00 0.00 C ATOM 476 CG1 VAL A 32 1.177 -7.575 -2.104 1.00 0.00 C ATOM 477 CG2 VAL A 32 3.490 -6.571 -2.112 1.00 0.00 C ATOM 0 H VAL A 32 4.363 -7.578 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 32 3.380 -9.237 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 32 2.228 -6.845 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.781 -6.598 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.444 -8.103 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.383 -8.153 -1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.048 -5.614 -1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.777 -7.114 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.372 -6.398 -2.728 1.00 0.00 H new ATOM 487 N PRO A 33 1.555 -10.666 -3.192 1.00 0.00 N ATOM 488 CA PRO A 33 0.576 -11.614 -3.696 1.00 0.00 C ATOM 489 C PRO A 33 -0.812 -10.975 -3.781 1.00 0.00 C ATOM 490 O PRO A 33 -1.684 -11.265 -2.964 1.00 0.00 O ATOM 491 CB PRO A 33 0.631 -12.787 -2.731 1.00 0.00 C ATOM 492 CG PRO A 33 1.296 -12.259 -1.470 1.00 0.00 C ATOM 493 CD PRO A 33 1.936 -10.922 -1.805 1.00 0.00 C ATOM 0 HA PRO A 33 0.792 -11.941 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.369 -13.164 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.199 -13.615 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.563 -12.142 -0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.047 -12.963 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.576 -10.134 -1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.019 -10.962 -1.693 1.00 0.00 H new ATOM 501 N TYR A 34 -0.973 -10.118 -4.778 1.00 0.00 N ATOM 502 CA TYR A 34 -2.239 -9.435 -4.981 1.00 0.00 C ATOM 503 C TYR A 34 -3.392 -10.437 -5.076 1.00 0.00 C ATOM 504 O TYR A 34 -4.452 -10.225 -4.489 1.00 0.00 O ATOM 505 CB TYR A 34 -2.111 -8.696 -6.315 1.00 0.00 C ATOM 506 CG TYR A 34 -0.890 -7.778 -6.403 1.00 0.00 C ATOM 507 CD1 TYR A 34 -0.757 -6.721 -5.526 1.00 0.00 C ATOM 508 CD2 TYR A 34 0.078 -8.008 -7.359 1.00 0.00 C ATOM 509 CE1 TYR A 34 0.392 -5.857 -5.609 1.00 0.00 C ATOM 510 CE2 TYR A 34 1.227 -7.144 -7.442 1.00 0.00 C ATOM 511 CZ TYR A 34 1.327 -6.111 -6.563 1.00 0.00 C ATOM 512 OH TYR A 34 2.412 -5.295 -6.641 1.00 0.00 O ATOM 0 H TYR A 34 -0.247 -9.881 -5.454 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.450 -8.763 -4.149 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.061 -9.428 -7.121 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.011 -8.103 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.515 -6.542 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.026 -8.836 -8.045 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.508 -5.026 -4.929 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.992 -7.312 -8.185 1.00 0.00 H new ATOM 0 HH TYR A 34 2.991 -5.446 -5.865 1.00 0.00 H new ATOM 522 N LYS A 35 -3.146 -11.506 -5.819 1.00 0.00 N ATOM 523 CA LYS A 35 -4.151 -12.540 -5.997 1.00 0.00 C ATOM 524 C LYS A 35 -4.648 -13.004 -4.627 1.00 0.00 C ATOM 525 O LYS A 35 -5.807 -12.787 -4.277 1.00 0.00 O ATOM 526 CB LYS A 35 -3.605 -13.672 -6.869 1.00 0.00 C ATOM 527 CG LYS A 35 -4.077 -13.526 -8.317 1.00 0.00 C ATOM 528 CD LYS A 35 -5.002 -14.680 -8.711 1.00 0.00 C ATOM 529 CE LYS A 35 -6.467 -14.240 -8.693 1.00 0.00 C ATOM 530 NZ LYS A 35 -7.361 -15.410 -8.834 1.00 0.00 N ATOM 0 H LYS A 35 -2.266 -11.678 -6.304 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.014 -12.144 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.516 -13.668 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.933 -14.633 -6.471 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.600 -12.578 -8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.215 -13.502 -8.984 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.739 -15.038 -9.706 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.861 -15.514 -8.024 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.685 -13.719 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.651 -13.535 -9.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.352 -15.094 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.164 -15.891 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.197 -16.069 -8.047 1.00 0.00 H new ATOM 544 N ARG A 36 -3.747 -13.635 -3.888 1.00 0.00 N ATOM 545 CA ARG A 36 -4.079 -14.132 -2.564 1.00 0.00 C ATOM 546 C ARG A 36 -4.726 -13.025 -1.729 1.00 0.00 C ATOM 547 O ARG A 36 -5.657 -13.280 -0.967 1.00 0.00 O ATOM 548 CB ARG A 36 -2.833 -14.646 -1.840 1.00 0.00 C ATOM 549 CG ARG A 36 -2.185 -15.796 -2.613 1.00 0.00 C ATOM 550 CD ARG A 36 -2.923 -17.112 -2.358 1.00 0.00 C ATOM 551 NE ARG A 36 -3.715 -17.488 -3.551 1.00 0.00 N ATOM 552 CZ ARG A 36 -4.393 -18.637 -3.671 1.00 0.00 C ATOM 553 NH1 ARG A 36 -4.380 -19.530 -2.672 1.00 0.00 N ATOM 554 NH2 ARG A 36 -5.084 -18.893 -4.790 1.00 0.00 N ATOM 0 H ARG A 36 -2.787 -13.813 -4.182 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.780 -14.957 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.116 -13.834 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.103 -14.982 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.192 -15.572 -3.680 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.141 -15.897 -2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.208 -17.900 -2.123 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.579 -17.009 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.746 -16.831 -4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.854 -19.335 -1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.896 -20.405 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.094 -18.213 -5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.600 -19.768 -4.882 1.00 0.00 H new ATOM 568 N ILE A 37 -4.206 -11.818 -1.900 1.00 0.00 N ATOM 569 CA ILE A 37 -4.721 -10.671 -1.171 1.00 0.00 C ATOM 570 C ILE A 37 -6.156 -10.388 -1.622 1.00 0.00 C ATOM 571 O ILE A 37 -6.954 -9.847 -0.860 1.00 0.00 O ATOM 572 CB ILE A 37 -3.781 -9.473 -1.324 1.00 0.00 C ATOM 573 CG1 ILE A 37 -2.614 -9.563 -0.338 1.00 0.00 C ATOM 574 CG2 ILE A 37 -4.546 -8.155 -1.188 1.00 0.00 C ATOM 575 CD1 ILE A 37 -1.474 -8.631 -0.752 1.00 0.00 C ATOM 0 H ILE A 37 -3.434 -11.610 -2.533 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.758 -10.884 -0.103 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.357 -9.497 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.958 -9.301 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.251 -10.590 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.855 -7.320 -1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.313 -8.098 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.016 -8.107 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.657 -8.714 -0.035 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.117 -8.911 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.834 -7.603 -0.774 1.00 0.00 H new ATOM 587 N LYS A 38 -6.439 -10.767 -2.860 1.00 0.00 N ATOM 588 CA LYS A 38 -7.763 -10.561 -3.422 1.00 0.00 C ATOM 589 C LYS A 38 -8.710 -11.639 -2.892 1.00 0.00 C ATOM 590 O LYS A 38 -9.769 -11.328 -2.348 1.00 0.00 O ATOM 591 CB LYS A 38 -7.693 -10.500 -4.949 1.00 0.00 C ATOM 592 CG LYS A 38 -7.534 -9.057 -5.433 1.00 0.00 C ATOM 593 CD LYS A 38 -8.636 -8.687 -6.427 1.00 0.00 C ATOM 594 CE LYS A 38 -8.105 -8.693 -7.862 1.00 0.00 C ATOM 595 NZ LYS A 38 -9.169 -8.294 -8.810 1.00 0.00 N ATOM 0 H LYS A 38 -5.774 -11.216 -3.490 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.166 -9.599 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.855 -11.100 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.598 -10.933 -5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.566 -8.378 -4.581 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.559 -8.933 -5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.462 -9.392 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.032 -7.700 -6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.260 -8.010 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.738 -9.687 -8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.792 -8.303 -9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.963 -8.962 -8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.500 -7.336 -8.577 1.00 0.00 H new ATOM 609 N SER A 39 -8.296 -12.885 -3.069 1.00 0.00 N ATOM 610 CA SER A 39 -9.094 -14.011 -2.615 1.00 0.00 C ATOM 611 C SER A 39 -9.192 -14.002 -1.088 1.00 0.00 C ATOM 612 O SER A 39 -10.261 -14.243 -0.530 1.00 0.00 O ATOM 613 CB SER A 39 -8.504 -15.336 -3.102 1.00 0.00 C ATOM 614 OG SER A 39 -9.098 -15.769 -4.322 1.00 0.00 O ATOM 0 H SER A 39 -7.418 -13.140 -3.521 1.00 0.00 H new ATOM 0 HA SER A 39 -10.094 -13.913 -3.037 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.429 -15.224 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.648 -16.100 -2.338 1.00 0.00 H new ATOM 0 HG SER A 39 -8.693 -16.617 -4.600 1.00 0.00 H new ATOM 620 N ASN A 40 -8.061 -13.722 -0.457 1.00 0.00 N ATOM 621 CA ASN A 40 -8.006 -13.679 0.995 1.00 0.00 C ATOM 622 C ASN A 40 -7.568 -12.283 1.442 1.00 0.00 C ATOM 623 O ASN A 40 -6.435 -11.874 1.192 1.00 0.00 O ATOM 624 CB ASN A 40 -6.993 -14.689 1.538 1.00 0.00 C ATOM 625 CG ASN A 40 -7.488 -16.123 1.336 1.00 0.00 C ATOM 626 OD1 ASN A 40 -7.369 -16.703 0.269 1.00 0.00 O ATOM 627 ND2 ASN A 40 -8.046 -16.660 2.417 1.00 0.00 N ATOM 0 H ASN A 40 -7.176 -13.523 -0.924 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.997 -13.922 1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.036 -14.556 1.034 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.823 -14.505 2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.406 -17.614 2.385 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.114 -16.118 3.279 1.00 0.00 H new ATOM 634 N PRO A 41 -8.512 -11.572 2.115 1.00 0.00 N ATOM 635 CA PRO A 41 -8.235 -10.231 2.600 1.00 0.00 C ATOM 636 C PRO A 41 -7.335 -10.270 3.836 1.00 0.00 C ATOM 637 O PRO A 41 -6.724 -9.265 4.196 1.00 0.00 O ATOM 638 CB PRO A 41 -9.600 -9.623 2.878 1.00 0.00 C ATOM 639 CG PRO A 41 -10.564 -10.794 2.982 1.00 0.00 C ATOM 640 CD PRO A 41 -9.864 -12.024 2.430 1.00 0.00 C ATOM 0 HA PRO A 41 -7.685 -9.628 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.589 -9.043 3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.895 -8.944 2.078 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.858 -10.955 4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.475 -10.589 2.420 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.851 -12.833 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.371 -12.403 1.543 1.00 0.00 H new ATOM 648 N GLY A 42 -7.281 -11.441 4.453 1.00 0.00 N ATOM 649 CA GLY A 42 -6.466 -11.625 5.641 1.00 0.00 C ATOM 650 C GLY A 42 -5.050 -12.071 5.271 1.00 0.00 C ATOM 651 O GLY A 42 -4.537 -13.043 5.824 1.00 0.00 O ATOM 0 H GLY A 42 -7.789 -12.273 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.422 -10.693 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.927 -12.369 6.291 1.00 0.00 H new ATOM 655 N SER A 43 -4.458 -11.340 4.338 1.00 0.00 N ATOM 656 CA SER A 43 -3.111 -11.648 3.888 1.00 0.00 C ATOM 657 C SER A 43 -2.143 -10.556 4.348 1.00 0.00 C ATOM 658 O SER A 43 -1.360 -10.765 5.273 1.00 0.00 O ATOM 659 CB SER A 43 -3.060 -11.797 2.366 1.00 0.00 C ATOM 660 OG SER A 43 -1.769 -12.192 1.912 1.00 0.00 O ATOM 0 H SER A 43 -4.887 -10.535 3.881 1.00 0.00 H new ATOM 0 HA SER A 43 -2.812 -12.599 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.797 -12.535 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.335 -10.851 1.900 1.00 0.00 H new ATOM 0 HG SER A 43 -1.815 -12.432 0.963 1.00 0.00 H new ATOM 666 N VAL A 44 -2.228 -9.415 3.680 1.00 0.00 N ATOM 667 CA VAL A 44 -1.369 -8.290 4.008 1.00 0.00 C ATOM 668 C VAL A 44 -2.235 -7.078 4.359 1.00 0.00 C ATOM 669 O VAL A 44 -2.973 -6.573 3.515 1.00 0.00 O ATOM 670 CB VAL A 44 -0.399 -8.018 2.857 1.00 0.00 C ATOM 671 CG1 VAL A 44 0.163 -6.597 2.937 1.00 0.00 C ATOM 672 CG2 VAL A 44 0.727 -9.053 2.833 1.00 0.00 C ATOM 0 H VAL A 44 -2.879 -9.245 2.913 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.759 -8.518 4.882 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.954 -8.106 1.923 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.850 -6.430 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.655 -5.879 2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.695 -6.469 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.402 -8.837 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.279 -9.012 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.303 -10.049 2.705 1.00 0.00 H new ATOM 682 N ILE A 45 -2.116 -6.647 5.607 1.00 0.00 N ATOM 683 CA ILE A 45 -2.878 -5.505 6.080 1.00 0.00 C ATOM 684 C ILE A 45 -2.100 -4.221 5.785 1.00 0.00 C ATOM 685 O ILE A 45 -0.930 -4.103 6.145 1.00 0.00 O ATOM 686 CB ILE A 45 -3.243 -5.678 7.555 1.00 0.00 C ATOM 687 CG1 ILE A 45 -3.395 -7.158 7.913 1.00 0.00 C ATOM 688 CG2 ILE A 45 -4.495 -4.872 7.909 1.00 0.00 C ATOM 689 CD1 ILE A 45 -4.134 -7.916 6.809 1.00 0.00 C ATOM 0 H ILE A 45 -1.503 -7.069 6.304 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.826 -5.433 5.548 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.425 -5.283 8.157 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.411 -7.601 8.068 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.939 -7.255 8.852 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.732 -5.013 8.963 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.314 -3.815 7.716 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.332 -5.214 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -4.228 -8.965 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.126 -7.486 6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.575 -7.838 5.877 1.00 0.00 H new ATOM 701 N ILE A 46 -2.782 -3.290 5.133 1.00 0.00 N ATOM 702 CA ILE A 46 -2.169 -2.019 4.786 1.00 0.00 C ATOM 703 C ILE A 46 -2.818 -0.904 5.608 1.00 0.00 C ATOM 704 O ILE A 46 -4.021 -0.667 5.499 1.00 0.00 O ATOM 705 CB ILE A 46 -2.235 -1.788 3.275 1.00 0.00 C ATOM 706 CG1 ILE A 46 -1.226 -2.673 2.540 1.00 0.00 C ATOM 707 CG2 ILE A 46 -2.050 -0.306 2.938 1.00 0.00 C ATOM 708 CD1 ILE A 46 -1.204 -2.354 1.044 1.00 0.00 C ATOM 0 H ILE A 46 -3.753 -3.391 4.836 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.109 -2.025 5.038 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.228 -2.076 2.929 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.232 -2.525 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.482 -3.722 2.688 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.101 -0.169 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.838 0.277 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.079 0.031 3.301 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.479 -2.997 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.193 -2.527 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.924 -1.311 0.899 1.00 0.00 H new ATOM 720 N GLU A 47 -1.994 -0.248 6.411 1.00 0.00 N ATOM 721 CA GLU A 47 -2.473 0.837 7.251 1.00 0.00 C ATOM 722 C GLU A 47 -1.530 2.038 7.156 1.00 0.00 C ATOM 723 O GLU A 47 -0.398 1.908 6.691 1.00 0.00 O ATOM 724 CB GLU A 47 -2.632 0.378 8.702 1.00 0.00 C ATOM 725 CG GLU A 47 -4.046 -0.145 8.960 1.00 0.00 C ATOM 726 CD GLU A 47 -5.058 1.002 8.990 1.00 0.00 C ATOM 727 OE1 GLU A 47 -4.885 1.888 9.855 1.00 0.00 O ATOM 728 OE2 GLU A 47 -5.981 0.966 8.149 1.00 0.00 O ATOM 0 H GLU A 47 -0.997 -0.447 6.498 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.456 1.142 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.905 -0.404 8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.419 1.208 9.375 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.322 -0.858 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.072 -0.682 9.908 1.00 0.00 H new ATOM 735 N GLY A 48 -2.030 3.180 7.604 1.00 0.00 N ATOM 736 CA GLY A 48 -1.246 4.403 7.576 1.00 0.00 C ATOM 737 C GLY A 48 -1.522 5.201 6.300 1.00 0.00 C ATOM 738 O GLY A 48 -1.104 6.352 6.180 1.00 0.00 O ATOM 0 H GLY A 48 -2.969 3.284 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.483 5.012 8.449 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.185 4.161 7.636 1.00 0.00 H new ATOM 742 N LEU A 49 -2.225 4.558 5.378 1.00 0.00 N ATOM 743 CA LEU A 49 -2.561 5.194 4.116 1.00 0.00 C ATOM 744 C LEU A 49 -3.157 6.576 4.389 1.00 0.00 C ATOM 745 O LEU A 49 -3.547 6.877 5.516 1.00 0.00 O ATOM 746 CB LEU A 49 -3.470 4.286 3.284 1.00 0.00 C ATOM 747 CG LEU A 49 -2.763 3.324 2.328 1.00 0.00 C ATOM 748 CD1 LEU A 49 -3.746 2.305 1.748 1.00 0.00 C ATOM 749 CD2 LEU A 49 -2.017 4.088 1.233 1.00 0.00 C ATOM 0 H LEU A 49 -2.571 3.604 5.480 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.664 5.346 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.088 3.701 3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.144 4.915 2.702 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.018 2.766 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.217 1.633 1.072 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.192 1.727 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.531 2.827 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.523 3.380 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.725 4.690 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.271 4.739 1.688 1.00 0.00 H new ATOM 761 N PRO A 50 -3.210 7.403 3.310 1.00 0.00 N ATOM 762 CA PRO A 50 -3.752 8.746 3.422 1.00 0.00 C ATOM 763 C PRO A 50 -5.278 8.716 3.517 1.00 0.00 C ATOM 764 O PRO A 50 -5.897 7.675 3.299 1.00 0.00 O ATOM 765 CB PRO A 50 -3.248 9.478 2.188 1.00 0.00 C ATOM 766 CG PRO A 50 -2.834 8.397 1.203 1.00 0.00 C ATOM 767 CD PRO A 50 -2.757 7.081 1.960 1.00 0.00 C ATOM 0 HA PRO A 50 -3.430 9.255 4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -4.026 10.114 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.406 10.125 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -3.554 8.327 0.388 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.869 8.637 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.390 6.322 1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.741 6.687 1.967 1.00 0.00 H new ATOM 775 N PRO A 51 -5.857 9.901 3.850 1.00 0.00 N ATOM 776 CA PRO A 51 -7.300 10.019 3.977 1.00 0.00 C ATOM 777 C PRO A 51 -7.971 10.039 2.602 1.00 0.00 C ATOM 778 O PRO A 51 -7.658 10.885 1.766 1.00 0.00 O ATOM 779 CB PRO A 51 -7.522 11.300 4.764 1.00 0.00 C ATOM 780 CG PRO A 51 -6.228 12.090 4.648 1.00 0.00 C ATOM 781 CD PRO A 51 -5.156 11.154 4.115 1.00 0.00 C ATOM 0 HA PRO A 51 -7.748 9.169 4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -8.362 11.865 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.755 11.083 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.359 12.941 3.979 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -5.937 12.490 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.698 11.551 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.356 11.014 4.841 1.00 0.00 H new ATOM 789 N GLY A 52 -8.882 9.096 2.410 1.00 0.00 N ATOM 790 CA GLY A 52 -9.600 8.994 1.151 1.00 0.00 C ATOM 791 C GLY A 52 -9.010 7.891 0.271 1.00 0.00 C ATOM 792 O GLY A 52 -9.558 7.573 -0.783 1.00 0.00 O ATOM 0 H GLY A 52 -9.139 8.396 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.652 8.786 1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.555 9.947 0.624 1.00 0.00 H new ATOM 796 N ILE A 53 -7.900 7.337 0.736 1.00 0.00 N ATOM 797 CA ILE A 53 -7.229 6.276 0.004 1.00 0.00 C ATOM 798 C ILE A 53 -7.175 5.018 0.874 1.00 0.00 C ATOM 799 O ILE A 53 -6.327 4.906 1.757 1.00 0.00 O ATOM 800 CB ILE A 53 -5.857 6.746 -0.484 1.00 0.00 C ATOM 801 CG1 ILE A 53 -5.946 8.137 -1.113 1.00 0.00 C ATOM 802 CG2 ILE A 53 -5.235 5.724 -1.437 1.00 0.00 C ATOM 803 CD1 ILE A 53 -4.584 8.585 -1.648 1.00 0.00 C ATOM 0 H ILE A 53 -7.448 7.603 1.611 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.790 6.019 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.196 6.825 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.674 8.127 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.303 8.853 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.261 6.082 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.115 4.771 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.886 5.589 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.675 9.577 -2.090 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.864 8.617 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.241 7.880 -2.406 1.00 0.00 H new ATOM 815 N PRO A 54 -8.117 4.080 0.586 1.00 0.00 N ATOM 816 CA PRO A 54 -8.184 2.834 1.331 1.00 0.00 C ATOM 817 C PRO A 54 -7.059 1.884 0.915 1.00 0.00 C ATOM 818 O PRO A 54 -6.273 2.201 0.024 1.00 0.00 O ATOM 819 CB PRO A 54 -9.569 2.278 1.043 1.00 0.00 C ATOM 820 CG PRO A 54 -10.050 2.988 -0.212 1.00 0.00 C ATOM 821 CD PRO A 54 -9.137 4.179 -0.453 1.00 0.00 C ATOM 0 HA PRO A 54 -8.041 2.976 2.402 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.533 1.199 0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.245 2.461 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.028 2.311 -1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -11.082 3.316 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.693 4.143 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.685 5.119 -0.382 1.00 0.00 H new ATOM 829 N PHE A 55 -7.019 0.739 1.580 1.00 0.00 N ATOM 830 CA PHE A 55 -6.004 -0.259 1.290 1.00 0.00 C ATOM 831 C PHE A 55 -6.398 -1.107 0.079 1.00 0.00 C ATOM 832 O PHE A 55 -7.051 -2.139 0.225 1.00 0.00 O ATOM 833 CB PHE A 55 -5.902 -1.164 2.519 1.00 0.00 C ATOM 834 CG PHE A 55 -5.454 -2.593 2.205 1.00 0.00 C ATOM 835 CD1 PHE A 55 -4.581 -2.823 1.188 1.00 0.00 C ATOM 836 CD2 PHE A 55 -5.928 -3.632 2.943 1.00 0.00 C ATOM 837 CE1 PHE A 55 -4.165 -4.149 0.896 1.00 0.00 C ATOM 838 CE2 PHE A 55 -5.511 -4.958 2.651 1.00 0.00 C ATOM 839 CZ PHE A 55 -4.639 -5.189 1.634 1.00 0.00 C ATOM 0 H PHE A 55 -7.673 0.480 2.319 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.056 0.230 1.065 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.200 -0.721 3.226 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.873 -1.199 3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.204 -1.997 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.621 -3.449 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.472 -4.332 0.088 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.887 -5.783 3.237 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.323 -6.198 1.412 1.00 0.00 H new ATOM 849 N ARG A 56 -5.986 -0.639 -1.090 1.00 0.00 N ATOM 850 CA ARG A 56 -6.288 -1.341 -2.326 1.00 0.00 C ATOM 851 C ARG A 56 -5.192 -1.086 -3.363 1.00 0.00 C ATOM 852 O ARG A 56 -4.232 -0.367 -3.092 1.00 0.00 O ATOM 853 CB ARG A 56 -7.635 -0.894 -2.898 1.00 0.00 C ATOM 854 CG ARG A 56 -8.780 -1.255 -1.949 1.00 0.00 C ATOM 855 CD ARG A 56 -9.007 -2.768 -1.914 1.00 0.00 C ATOM 856 NE ARG A 56 -10.407 -3.061 -1.533 1.00 0.00 N ATOM 857 CZ ARG A 56 -10.925 -4.295 -1.464 1.00 0.00 C ATOM 858 NH1 ARG A 56 -10.161 -5.358 -1.750 1.00 0.00 N ATOM 859 NH2 ARG A 56 -12.205 -4.466 -1.110 1.00 0.00 N ATOM 0 H ARG A 56 -5.445 0.218 -1.207 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.337 -2.406 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.623 0.183 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.798 -1.367 -3.867 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.553 -0.894 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.694 -0.754 -2.269 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.789 -3.199 -2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.323 -3.230 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.016 -2.274 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.186 -5.228 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.554 -6.298 -1.698 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.787 -3.657 -0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.599 -5.406 -1.058 1.00 0.00 H new ATOM 873 N LYS A 57 -5.373 -1.691 -4.528 1.00 0.00 N ATOM 874 CA LYS A 57 -4.411 -1.539 -5.607 1.00 0.00 C ATOM 875 C LYS A 57 -4.433 -0.092 -6.103 1.00 0.00 C ATOM 876 O LYS A 57 -5.476 0.559 -6.084 1.00 0.00 O ATOM 877 CB LYS A 57 -4.672 -2.570 -6.706 1.00 0.00 C ATOM 878 CG LYS A 57 -4.442 -3.992 -6.190 1.00 0.00 C ATOM 879 CD LYS A 57 -3.944 -4.908 -7.309 1.00 0.00 C ATOM 880 CE LYS A 57 -5.112 -5.622 -7.994 1.00 0.00 C ATOM 881 NZ LYS A 57 -5.110 -5.343 -9.447 1.00 0.00 N ATOM 0 H LYS A 57 -6.171 -2.287 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.401 -1.738 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.696 -2.471 -7.066 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.016 -2.377 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.714 -3.975 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.370 -4.387 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.390 -4.323 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.252 -5.644 -6.900 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.039 -6.696 -7.824 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.054 -5.293 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.845 -5.914 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.303 -4.334 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.180 -5.585 -9.846 1.00 0.00 H new ATOM 895 N PRO A 58 -3.238 0.382 -6.547 1.00 0.00 N ATOM 896 CA PRO A 58 -3.110 1.740 -7.048 1.00 0.00 C ATOM 897 C PRO A 58 -3.720 1.868 -8.446 1.00 0.00 C ATOM 898 O PRO A 58 -3.887 2.976 -8.954 1.00 0.00 O ATOM 899 CB PRO A 58 -1.618 2.030 -7.022 1.00 0.00 C ATOM 900 CG PRO A 58 -0.931 0.676 -6.950 1.00 0.00 C ATOM 901 CD PRO A 58 -1.981 -0.361 -6.585 1.00 0.00 C ATOM 0 HA PRO A 58 -3.654 2.465 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.311 2.577 -7.914 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.355 2.647 -6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.469 0.431 -7.906 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.135 0.691 -6.206 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.018 -1.164 -7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.764 -0.822 -5.621 1.00 0.00 H new ATOM 909 N CYS A 59 -4.035 0.720 -9.027 1.00 0.00 N ATOM 910 CA CYS A 59 -4.623 0.691 -10.355 1.00 0.00 C ATOM 911 C CYS A 59 -6.037 1.268 -10.268 1.00 0.00 C ATOM 912 O CYS A 59 -6.605 1.683 -11.277 1.00 0.00 O ATOM 913 CB CYS A 59 -4.617 -0.721 -10.945 1.00 0.00 C ATOM 914 SG CYS A 59 -5.891 -1.747 -10.124 1.00 0.00 S ATOM 0 H CYS A 59 -3.894 -0.197 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.025 1.300 -11.033 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.809 -0.677 -12.017 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.634 -1.174 -10.815 1.00 0.00 H new ATOM 0 HG CYS A 59 -6.027 -2.868 -10.768 1.00 0.00 H new ATOM 920 N THR A 60 -6.565 1.275 -9.053 1.00 0.00 N ATOM 921 CA THR A 60 -7.902 1.794 -8.821 1.00 0.00 C ATOM 922 C THR A 60 -7.836 3.255 -8.371 1.00 0.00 C ATOM 923 O THR A 60 -8.865 3.919 -8.254 1.00 0.00 O ATOM 924 CB THR A 60 -8.596 0.878 -7.812 1.00 0.00 C ATOM 925 OG1 THR A 60 -8.042 1.262 -6.556 1.00 0.00 O ATOM 926 CG2 THR A 60 -8.183 -0.586 -7.969 1.00 0.00 C ATOM 0 H THR A 60 -6.091 0.929 -8.219 1.00 0.00 H new ATOM 0 HA THR A 60 -8.491 1.796 -9.738 1.00 0.00 H new ATOM 0 HB THR A 60 -9.676 0.964 -7.927 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.100 0.995 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.705 -1.193 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.442 -0.932 -8.970 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.107 -0.678 -7.821 1.00 0.00 H new ATOM 934 N PHE A 61 -6.616 3.713 -8.131 1.00 0.00 N ATOM 935 CA PHE A 61 -6.403 5.083 -7.697 1.00 0.00 C ATOM 936 C PHE A 61 -5.845 5.939 -8.836 1.00 0.00 C ATOM 937 O PHE A 61 -5.112 5.441 -9.690 1.00 0.00 O ATOM 938 CB PHE A 61 -5.380 5.037 -6.560 1.00 0.00 C ATOM 939 CG PHE A 61 -5.793 4.149 -5.385 1.00 0.00 C ATOM 940 CD1 PHE A 61 -7.109 3.882 -5.165 1.00 0.00 C ATOM 941 CD2 PHE A 61 -4.846 3.627 -4.561 1.00 0.00 C ATOM 942 CE1 PHE A 61 -7.493 3.057 -4.075 1.00 0.00 C ATOM 943 CE2 PHE A 61 -5.230 2.802 -3.471 1.00 0.00 C ATOM 944 CZ PHE A 61 -6.546 2.535 -3.251 1.00 0.00 C ATOM 0 H PHE A 61 -5.765 3.159 -8.229 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.347 5.524 -7.377 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.429 4.680 -6.955 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.213 6.050 -6.195 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.861 4.297 -5.819 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.802 3.840 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.537 2.844 -3.901 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.478 2.387 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.838 1.908 -2.422 1.00 0.00 H new ATOM 954 N GLY A 62 -6.212 7.211 -8.812 1.00 0.00 N ATOM 955 CA GLY A 62 -5.757 8.141 -9.832 1.00 0.00 C ATOM 956 C GLY A 62 -4.418 8.770 -9.442 1.00 0.00 C ATOM 957 O GLY A 62 -4.004 8.692 -8.287 1.00 0.00 O ATOM 0 H GLY A 62 -6.820 7.620 -8.102 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.655 7.621 -10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.503 8.923 -9.975 1.00 0.00 H new ATOM 961 N SER A 63 -3.778 9.379 -10.429 1.00 0.00 N ATOM 962 CA SER A 63 -2.494 10.021 -10.204 1.00 0.00 C ATOM 963 C SER A 63 -2.514 10.781 -8.877 1.00 0.00 C ATOM 964 O SER A 63 -1.588 10.662 -8.075 1.00 0.00 O ATOM 965 CB SER A 63 -2.143 10.969 -11.353 1.00 0.00 C ATOM 966 OG SER A 63 -3.186 11.906 -11.609 1.00 0.00 O ATOM 0 H SER A 63 -4.124 9.442 -11.386 1.00 0.00 H new ATOM 0 HA SER A 63 -1.728 9.247 -10.160 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.225 11.505 -11.113 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.947 10.389 -12.255 1.00 0.00 H new ATOM 0 HG SER A 63 -2.923 12.494 -12.348 1.00 0.00 H new ATOM 972 N GLN A 64 -3.579 11.545 -8.685 1.00 0.00 N ATOM 973 CA GLN A 64 -3.732 12.324 -7.468 1.00 0.00 C ATOM 974 C GLN A 64 -3.637 11.416 -6.241 1.00 0.00 C ATOM 975 O GLN A 64 -2.766 11.602 -5.392 1.00 0.00 O ATOM 976 CB GLN A 64 -5.051 13.100 -7.475 1.00 0.00 C ATOM 977 CG GLN A 64 -4.821 14.568 -7.839 1.00 0.00 C ATOM 978 CD GLN A 64 -5.389 14.885 -9.224 1.00 0.00 C ATOM 979 OE1 GLN A 64 -4.669 15.143 -10.174 1.00 0.00 O ATOM 980 NE2 GLN A 64 -6.717 14.853 -9.285 1.00 0.00 N ATOM 0 H GLN A 64 -4.345 11.641 -9.352 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.921 13.051 -7.421 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.739 12.648 -8.189 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.521 13.034 -6.494 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.291 15.209 -7.094 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.754 14.788 -7.821 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.261 14.630 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.192 15.052 -10.165 1.00 0.00 H new ATOM 989 N ASN A 65 -4.545 10.452 -6.185 1.00 0.00 N ATOM 990 CA ASN A 65 -4.575 9.515 -5.076 1.00 0.00 C ATOM 991 C ASN A 65 -3.180 8.915 -4.883 1.00 0.00 C ATOM 992 O ASN A 65 -2.739 8.710 -3.754 1.00 0.00 O ATOM 993 CB ASN A 65 -5.549 8.367 -5.350 1.00 0.00 C ATOM 994 CG ASN A 65 -6.992 8.797 -5.078 1.00 0.00 C ATOM 995 OD1 ASN A 65 -7.366 9.947 -5.240 1.00 0.00 O ATOM 996 ND2 ASN A 65 -7.779 7.811 -4.657 1.00 0.00 N ATOM 0 H ASN A 65 -5.266 10.300 -6.891 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.897 10.056 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.452 8.042 -6.386 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.296 7.513 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.760 7.995 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.401 6.870 -4.543 1.00 0.00 H new ATOM 1003 N LEU A 66 -2.525 8.650 -6.004 1.00 0.00 N ATOM 1004 CA LEU A 66 -1.190 8.078 -5.973 1.00 0.00 C ATOM 1005 C LEU A 66 -0.230 9.069 -5.311 1.00 0.00 C ATOM 1006 O LEU A 66 0.339 8.779 -4.259 1.00 0.00 O ATOM 1007 CB LEU A 66 -0.758 7.649 -7.377 1.00 0.00 C ATOM 1008 CG LEU A 66 -1.625 6.582 -8.049 1.00 0.00 C ATOM 1009 CD1 LEU A 66 -1.256 6.426 -9.525 1.00 0.00 C ATOM 1010 CD2 LEU A 66 -1.543 5.254 -7.294 1.00 0.00 C ATOM 0 H LEU A 66 -2.894 8.821 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.179 7.171 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.742 8.532 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.265 7.276 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.663 6.911 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.887 5.662 -9.979 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.408 7.375 -10.040 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.210 6.130 -9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.168 4.513 -7.792 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.510 4.907 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.892 5.395 -6.271 1.00 0.00 H new ATOM 1022 N GLU A 67 -0.080 10.218 -5.953 1.00 0.00 N ATOM 1023 CA GLU A 67 0.800 11.253 -5.439 1.00 0.00 C ATOM 1024 C GLU A 67 0.718 11.310 -3.912 1.00 0.00 C ATOM 1025 O GLU A 67 1.704 11.619 -3.245 1.00 0.00 O ATOM 1026 CB GLU A 67 0.468 12.613 -6.057 1.00 0.00 C ATOM 1027 CG GLU A 67 1.531 13.027 -7.076 1.00 0.00 C ATOM 1028 CD GLU A 67 1.872 14.512 -6.940 1.00 0.00 C ATOM 1029 OE1 GLU A 67 2.181 14.921 -5.799 1.00 0.00 O ATOM 1030 OE2 GLU A 67 1.817 15.205 -7.979 1.00 0.00 O ATOM 0 H GLU A 67 -0.553 10.455 -6.825 1.00 0.00 H new ATOM 0 HA GLU A 67 1.823 11.004 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.507 12.568 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.399 13.366 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.431 12.429 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.172 12.824 -8.085 1.00 0.00 H new ATOM 1037 N ARG A 68 -0.467 11.007 -3.403 1.00 0.00 N ATOM 1038 CA ARG A 68 -0.691 11.020 -1.968 1.00 0.00 C ATOM 1039 C ARG A 68 -0.022 9.808 -1.316 1.00 0.00 C ATOM 1040 O ARG A 68 0.811 9.959 -0.423 1.00 0.00 O ATOM 1041 CB ARG A 68 -2.186 11.005 -1.643 1.00 0.00 C ATOM 1042 CG ARG A 68 -2.880 12.250 -2.199 1.00 0.00 C ATOM 1043 CD ARG A 68 -4.400 12.136 -2.068 1.00 0.00 C ATOM 1044 NE ARG A 68 -4.822 12.539 -0.708 1.00 0.00 N ATOM 1045 CZ ARG A 68 -6.098 12.725 -0.342 1.00 0.00 C ATOM 1046 NH1 ARG A 68 -7.084 12.544 -1.232 1.00 0.00 N ATOM 1047 NH2 ARG A 68 -6.388 13.091 0.914 1.00 0.00 N ATOM 0 H ARG A 68 -1.283 10.751 -3.959 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.255 11.937 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.644 10.110 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.327 10.957 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.531 13.134 -1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.611 12.383 -3.247 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.886 12.769 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.715 11.112 -2.267 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.097 12.684 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.863 12.265 -2.188 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.055 12.686 -0.953 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.638 13.228 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.359 13.233 1.193 1.00 0.00 H new ATOM 1061 N ILE A 69 -0.413 8.632 -1.786 1.00 0.00 N ATOM 1062 CA ILE A 69 0.138 7.395 -1.260 1.00 0.00 C ATOM 1063 C ILE A 69 1.652 7.544 -1.099 1.00 0.00 C ATOM 1064 O ILE A 69 2.171 7.479 0.014 1.00 0.00 O ATOM 1065 CB ILE A 69 -0.274 6.210 -2.136 1.00 0.00 C ATOM 1066 CG1 ILE A 69 -1.726 5.809 -1.868 1.00 0.00 C ATOM 1067 CG2 ILE A 69 0.688 5.034 -1.955 1.00 0.00 C ATOM 1068 CD1 ILE A 69 -2.445 5.450 -3.170 1.00 0.00 C ATOM 0 H ILE A 69 -1.105 8.510 -2.525 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.269 7.187 -0.270 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.212 6.519 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.752 4.958 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.248 6.628 -1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.373 4.205 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.696 5.342 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.682 4.716 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.475 5.169 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.438 6.311 -3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.935 4.614 -3.649 1.00 0.00 H new ATOM 1080 N LEU A 70 2.318 7.741 -2.227 1.00 0.00 N ATOM 1081 CA LEU A 70 3.763 7.900 -2.225 1.00 0.00 C ATOM 1082 C LEU A 70 4.156 8.939 -1.174 1.00 0.00 C ATOM 1083 O LEU A 70 5.243 8.868 -0.602 1.00 0.00 O ATOM 1084 CB LEU A 70 4.268 8.226 -3.632 1.00 0.00 C ATOM 1085 CG LEU A 70 3.904 7.220 -4.726 1.00 0.00 C ATOM 1086 CD1 LEU A 70 4.241 7.772 -6.113 1.00 0.00 C ATOM 1087 CD2 LEU A 70 4.570 5.867 -4.470 1.00 0.00 C ATOM 0 H LEU A 70 1.884 7.794 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 70 4.249 6.965 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.877 9.202 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.354 8.315 -3.595 1.00 0.00 H new ATOM 0 HG LEU A 70 2.826 7.059 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.972 7.037 -6.872 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.682 8.692 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.309 7.981 -6.172 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.295 5.170 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.653 5.991 -4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.238 5.474 -3.509 1.00 0.00 H new ATOM 1099 N ALA A 71 3.251 9.880 -0.951 1.00 0.00 N ATOM 1100 CA ALA A 71 3.489 10.933 0.022 1.00 0.00 C ATOM 1101 C ALA A 71 3.585 10.318 1.419 1.00 0.00 C ATOM 1102 O ALA A 71 4.569 10.528 2.128 1.00 0.00 O ATOM 1103 CB ALA A 71 2.380 11.982 -0.079 1.00 0.00 C ATOM 0 H ALA A 71 2.351 9.936 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 71 4.434 11.437 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.559 12.772 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.374 12.409 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.417 11.513 0.122 1.00 0.00 H new ATOM 1109 N VAL A 72 2.550 9.571 1.775 1.00 0.00 N ATOM 1110 CA VAL A 72 2.505 8.924 3.075 1.00 0.00 C ATOM 1111 C VAL A 72 3.096 7.518 2.961 1.00 0.00 C ATOM 1112 O VAL A 72 2.823 6.656 3.796 1.00 0.00 O ATOM 1113 CB VAL A 72 1.073 8.930 3.613 1.00 0.00 C ATOM 1114 CG1 VAL A 72 0.601 10.356 3.902 1.00 0.00 C ATOM 1115 CG2 VAL A 72 0.121 8.223 2.645 1.00 0.00 C ATOM 0 H VAL A 72 1.736 9.399 1.185 1.00 0.00 H new ATOM 0 HA VAL A 72 3.111 9.473 3.796 1.00 0.00 H new ATOM 0 HB VAL A 72 1.066 8.378 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.420 10.331 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.255 10.812 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.631 10.942 2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.890 8.241 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.135 8.734 1.682 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.440 7.189 2.511 1.00 0.00 H new ATOM 1125 N ALA A 73 3.894 7.328 1.920 1.00 0.00 N ATOM 1126 CA ALA A 73 4.525 6.041 1.686 1.00 0.00 C ATOM 1127 C ALA A 73 5.160 5.545 2.986 1.00 0.00 C ATOM 1128 O ALA A 73 5.293 4.340 3.196 1.00 0.00 O ATOM 1129 CB ALA A 73 5.544 6.170 0.552 1.00 0.00 C ATOM 0 H ALA A 73 4.118 8.044 1.229 1.00 0.00 H new ATOM 0 HA ALA A 73 3.785 5.302 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.017 5.204 0.377 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.038 6.496 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.304 6.902 0.827 1.00 0.00 H new ATOM 1135 N ASP A 74 5.536 6.499 3.825 1.00 0.00 N ATOM 1136 CA ASP A 74 6.153 6.174 5.100 1.00 0.00 C ATOM 1137 C ASP A 74 5.086 5.642 6.058 1.00 0.00 C ATOM 1138 O ASP A 74 5.315 4.663 6.766 1.00 0.00 O ATOM 1139 CB ASP A 74 6.786 7.413 5.737 1.00 0.00 C ATOM 1140 CG ASP A 74 8.310 7.368 5.863 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.862 6.260 5.687 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.889 8.442 6.133 1.00 0.00 O ATOM 0 H ASP A 74 5.425 7.497 3.647 1.00 0.00 H new ATOM 0 HA ASP A 74 6.926 5.427 4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.511 8.287 5.147 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.358 7.551 6.730 1.00 0.00 H new ATOM 1147 N LYS A 75 3.943 6.312 6.050 1.00 0.00 N ATOM 1148 CA LYS A 75 2.840 5.919 6.910 1.00 0.00 C ATOM 1149 C LYS A 75 2.405 4.495 6.557 1.00 0.00 C ATOM 1150 O LYS A 75 2.288 3.642 7.435 1.00 0.00 O ATOM 1151 CB LYS A 75 1.707 6.945 6.832 1.00 0.00 C ATOM 1152 CG LYS A 75 2.236 8.363 7.056 1.00 0.00 C ATOM 1153 CD LYS A 75 1.685 8.954 8.355 1.00 0.00 C ATOM 1154 CE LYS A 75 2.001 10.448 8.456 1.00 0.00 C ATOM 1155 NZ LYS A 75 2.265 10.829 9.862 1.00 0.00 N ATOM 0 H LYS A 75 3.757 7.124 5.462 1.00 0.00 H new ATOM 0 HA LYS A 75 3.157 5.907 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.222 6.883 5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.949 6.713 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.325 8.347 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.954 8.997 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.606 8.803 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.115 8.429 9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.869 10.684 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.165 11.029 8.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.478 11.846 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.426 10.622 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.077 10.288 10.222 1.00 0.00 H new ATOM 1169 N ILE A 76 2.177 4.283 5.269 1.00 0.00 N ATOM 1170 CA ILE A 76 1.758 2.977 4.789 1.00 0.00 C ATOM 1171 C ILE A 76 2.569 1.892 5.501 1.00 0.00 C ATOM 1172 O ILE A 76 3.798 1.892 5.444 1.00 0.00 O ATOM 1173 CB ILE A 76 1.851 2.912 3.263 1.00 0.00 C ATOM 1174 CG1 ILE A 76 0.830 3.847 2.612 1.00 0.00 C ATOM 1175 CG2 ILE A 76 1.709 1.472 2.766 1.00 0.00 C ATOM 1176 CD1 ILE A 76 1.269 4.239 1.199 1.00 0.00 C ATOM 0 H ILE A 76 2.274 4.993 4.543 1.00 0.00 H new ATOM 0 HA ILE A 76 0.709 2.801 5.030 1.00 0.00 H new ATOM 0 HB ILE A 76 2.841 3.259 2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.143 3.357 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.711 4.743 3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.779 1.454 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.505 0.860 3.191 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.742 1.074 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.526 4.904 0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.231 4.750 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.363 3.343 0.586 1.00 0.00 H new ATOM 1188 N LYS A 77 1.848 0.994 6.156 1.00 0.00 N ATOM 1189 CA LYS A 77 2.485 -0.094 6.878 1.00 0.00 C ATOM 1190 C LYS A 77 1.805 -1.414 6.508 1.00 0.00 C ATOM 1191 O LYS A 77 0.582 -1.525 6.571 1.00 0.00 O ATOM 1192 CB LYS A 77 2.493 0.193 8.381 1.00 0.00 C ATOM 1193 CG LYS A 77 3.146 -0.955 9.155 1.00 0.00 C ATOM 1194 CD LYS A 77 3.271 -0.612 10.641 1.00 0.00 C ATOM 1195 CE LYS A 77 4.040 -1.702 11.392 1.00 0.00 C ATOM 1196 NZ LYS A 77 4.848 -1.109 12.480 1.00 0.00 N ATOM 0 H LYS A 77 0.829 0.998 6.202 1.00 0.00 H new ATOM 0 HA LYS A 77 3.532 -0.182 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.032 1.120 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.472 0.339 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.554 -1.862 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.133 -1.162 8.741 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.782 0.344 10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.278 -0.497 11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.341 -2.430 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.689 -2.240 10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.363 -1.862 12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.528 -0.432 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.222 -0.616 13.148 1.00 0.00 H new ATOM 1210 N PHE A 78 2.628 -2.381 6.129 1.00 0.00 N ATOM 1211 CA PHE A 78 2.122 -3.688 5.749 1.00 0.00 C ATOM 1212 C PHE A 78 2.263 -4.687 6.899 1.00 0.00 C ATOM 1213 O PHE A 78 3.158 -4.557 7.733 1.00 0.00 O ATOM 1214 CB PHE A 78 2.965 -4.168 4.566 1.00 0.00 C ATOM 1215 CG PHE A 78 2.458 -3.688 3.204 1.00 0.00 C ATOM 1216 CD1 PHE A 78 2.161 -2.374 3.014 1.00 0.00 C ATOM 1217 CD2 PHE A 78 2.305 -4.574 2.185 1.00 0.00 C ATOM 1218 CE1 PHE A 78 1.691 -1.929 1.751 1.00 0.00 C ATOM 1219 CE2 PHE A 78 1.834 -4.129 0.921 1.00 0.00 C ATOM 1220 CZ PHE A 78 1.537 -2.815 0.731 1.00 0.00 C ATOM 0 H PHE A 78 3.642 -2.285 6.077 1.00 0.00 H new ATOM 0 HA PHE A 78 1.065 -3.617 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.991 -3.825 4.702 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.990 -5.258 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.283 -1.670 3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.542 -5.617 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.455 -0.886 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.712 -4.833 0.111 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.179 -2.476 -0.230 1.00 0.00 H new ATOM 1230 N THR A 79 1.366 -5.662 6.907 1.00 0.00 N ATOM 1231 CA THR A 79 1.379 -6.683 7.941 1.00 0.00 C ATOM 1232 C THR A 79 1.526 -8.072 7.317 1.00 0.00 C ATOM 1233 O THR A 79 0.824 -8.406 6.365 1.00 0.00 O ATOM 1234 CB THR A 79 0.108 -6.524 8.778 1.00 0.00 C ATOM 1235 OG1 THR A 79 0.399 -5.432 9.647 1.00 0.00 O ATOM 1236 CG2 THR A 79 -0.120 -7.704 9.726 1.00 0.00 C ATOM 0 H THR A 79 0.625 -5.767 6.214 1.00 0.00 H new ATOM 0 HA THR A 79 2.238 -6.566 8.602 1.00 0.00 H new ATOM 0 HB THR A 79 -0.752 -6.418 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.373 -5.259 10.225 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.035 -7.541 10.296 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.212 -8.623 9.147 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.724 -7.789 10.410 1.00 0.00 H new ATOM 1244 N VAL A 80 2.444 -8.844 7.880 1.00 0.00 N ATOM 1245 CA VAL A 80 2.692 -10.190 7.391 1.00 0.00 C ATOM 1246 C VAL A 80 2.525 -11.185 8.542 1.00 0.00 C ATOM 1247 O VAL A 80 3.149 -11.036 9.591 1.00 0.00 O ATOM 1248 CB VAL A 80 4.072 -10.261 6.735 1.00 0.00 C ATOM 1249 CG1 VAL A 80 4.421 -11.700 6.347 1.00 0.00 C ATOM 1250 CG2 VAL A 80 4.151 -9.332 5.522 1.00 0.00 C ATOM 0 H VAL A 80 3.025 -8.563 8.670 1.00 0.00 H new ATOM 0 HA VAL A 80 1.967 -10.458 6.622 1.00 0.00 H new ATOM 0 HB VAL A 80 4.808 -9.923 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.407 -11.723 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.425 -12.326 7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.679 -12.077 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.142 -9.402 5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.400 -9.626 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.967 -8.305 5.838 1.00 0.00 H new ATOM 1260 N THR A 81 1.680 -12.177 8.305 1.00 0.00 N ATOM 1261 CA THR A 81 1.423 -13.197 9.308 1.00 0.00 C ATOM 1262 C THR A 81 2.433 -14.339 9.179 1.00 0.00 C ATOM 1263 O THR A 81 3.114 -14.682 10.143 1.00 0.00 O ATOM 1264 CB THR A 81 -0.030 -13.650 9.160 1.00 0.00 C ATOM 1265 OG1 THR A 81 -0.106 -14.142 7.824 1.00 0.00 O ATOM 1266 CG2 THR A 81 -1.015 -12.479 9.182 1.00 0.00 C ATOM 0 H THR A 81 1.164 -12.297 7.433 1.00 0.00 H new ATOM 0 HA THR A 81 1.554 -12.803 10.316 1.00 0.00 H new ATOM 0 HB THR A 81 -0.276 -14.346 9.962 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.016 -14.459 7.643 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.032 -12.857 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.925 -11.946 10.128 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.791 -11.799 8.360 1.00 0.00 H new ATOM 1274 N ARG A 82 2.496 -14.896 7.978 1.00 0.00 N ATOM 1275 CA ARG A 82 3.411 -15.993 7.710 1.00 0.00 C ATOM 1276 C ARG A 82 3.041 -17.212 8.557 1.00 0.00 C ATOM 1277 O ARG A 82 2.310 -17.091 9.539 1.00 0.00 O ATOM 1278 CB ARG A 82 4.856 -15.591 8.011 1.00 0.00 C ATOM 1279 CG ARG A 82 5.615 -15.268 6.722 1.00 0.00 C ATOM 1280 CD ARG A 82 7.126 -15.255 6.963 1.00 0.00 C ATOM 1281 NE ARG A 82 7.751 -16.432 6.321 1.00 0.00 N ATOM 1282 CZ ARG A 82 9.069 -16.675 6.318 1.00 0.00 C ATOM 1283 NH1 ARG A 82 9.908 -15.824 6.924 1.00 0.00 N ATOM 1284 NH2 ARG A 82 9.548 -17.769 5.710 1.00 0.00 N ATOM 0 H ARG A 82 1.929 -14.608 7.180 1.00 0.00 H new ATOM 0 HA ARG A 82 3.328 -16.243 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.866 -14.723 8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.359 -16.400 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 82 5.372 -16.006 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.296 -14.298 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.559 -14.339 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.332 -15.262 8.033 1.00 0.00 H new ATOM 0 HE ARG A 82 7.141 -17.101 5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.544 -14.992 7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.911 -16.009 6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 82 8.909 -18.417 5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.551 -17.953 5.708 1.00 0.00 H new ATOM 1298 N PRO A 83 3.577 -18.389 8.136 1.00 0.00 N ATOM 1299 CA PRO A 83 3.312 -19.629 8.845 1.00 0.00 C ATOM 1300 C PRO A 83 4.106 -19.694 10.151 1.00 0.00 C ATOM 1301 O PRO A 83 5.063 -20.459 10.262 1.00 0.00 O ATOM 1302 CB PRO A 83 3.686 -20.730 7.867 1.00 0.00 C ATOM 1303 CG PRO A 83 4.580 -20.076 6.825 1.00 0.00 C ATOM 1304 CD PRO A 83 4.448 -18.569 6.978 1.00 0.00 C ATOM 0 HA PRO A 83 2.270 -19.724 9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.207 -21.542 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.798 -21.160 7.405 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.616 -20.385 6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.286 -20.385 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 83 5.419 -18.100 7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.018 -18.116 6.085 1.00 0.00 H new ATOM 1312 N PHE A 84 3.679 -18.882 11.107 1.00 0.00 N ATOM 1313 CA PHE A 84 4.339 -18.839 12.402 1.00 0.00 C ATOM 1314 C PHE A 84 5.844 -18.614 12.243 1.00 0.00 C ATOM 1315 O PHE A 84 6.604 -19.568 12.082 1.00 0.00 O ATOM 1316 CB PHE A 84 4.105 -20.196 13.068 1.00 0.00 C ATOM 1317 CG PHE A 84 2.709 -20.360 13.673 1.00 0.00 C ATOM 1318 CD1 PHE A 84 1.618 -20.406 12.863 1.00 0.00 C ATOM 1319 CD2 PHE A 84 2.560 -20.459 15.021 1.00 0.00 C ATOM 1320 CE1 PHE A 84 0.323 -20.559 13.424 1.00 0.00 C ATOM 1321 CE2 PHE A 84 1.264 -20.612 15.583 1.00 0.00 C ATOM 1322 CZ PHE A 84 0.173 -20.658 14.772 1.00 0.00 C ATOM 0 H PHE A 84 2.885 -18.249 11.011 1.00 0.00 H new ATOM 0 HA PHE A 84 3.938 -18.019 12.998 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.265 -20.983 12.331 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.849 -20.337 13.852 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.737 -20.326 11.793 1.00 0.00 H new ATOM 0 HD2 PHE A 84 3.427 -20.421 15.664 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.543 -20.597 12.780 1.00 0.00 H new ATOM 0 HE2 PHE A 84 1.145 -20.692 16.653 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.812 -20.773 15.199 1.00 0.00 H new ATOM 1332 N GLN A 85 6.229 -17.347 12.293 1.00 0.00 N ATOM 1333 CA GLN A 85 7.630 -16.985 12.157 1.00 0.00 C ATOM 1334 C GLN A 85 7.809 -15.478 12.349 1.00 0.00 C ATOM 1335 O GLN A 85 7.273 -14.682 11.580 1.00 0.00 O ATOM 1336 CB GLN A 85 8.183 -17.436 10.803 1.00 0.00 C ATOM 1337 CG GLN A 85 9.087 -18.660 10.961 1.00 0.00 C ATOM 1338 CD GLN A 85 8.875 -19.649 9.813 1.00 0.00 C ATOM 1339 OE1 GLN A 85 8.755 -19.281 8.656 1.00 0.00 O ATOM 1340 NE2 GLN A 85 8.835 -20.922 10.197 1.00 0.00 N ATOM 0 H GLN A 85 5.596 -16.559 12.426 1.00 0.00 H new ATOM 0 HA GLN A 85 8.196 -17.500 12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.359 -17.672 10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.744 -16.621 10.346 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.130 -18.345 10.987 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.878 -19.151 11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.942 -21.161 11.183 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.697 -21.659 9.506 1.00 0.00 H new ATOM 1349 N GLY A 86 8.567 -15.131 13.379 1.00 0.00 N ATOM 1350 CA GLY A 86 8.824 -13.733 13.682 1.00 0.00 C ATOM 1351 C GLY A 86 10.305 -13.502 13.989 1.00 0.00 C ATOM 1352 O GLY A 86 10.658 -13.108 15.100 1.00 0.00 O ATOM 0 H GLY A 86 9.011 -15.794 14.014 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.523 -13.113 12.838 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.220 -13.425 14.535 1.00 0.00 H new ATOM 1356 N LEU A 87 11.131 -13.758 12.986 1.00 0.00 N ATOM 1357 CA LEU A 87 12.566 -13.583 13.135 1.00 0.00 C ATOM 1358 C LEU A 87 13.121 -12.876 11.897 1.00 0.00 C ATOM 1359 O LEU A 87 12.723 -13.181 10.774 1.00 0.00 O ATOM 1360 CB LEU A 87 13.241 -14.923 13.432 1.00 0.00 C ATOM 1361 CG LEU A 87 12.638 -16.146 12.739 1.00 0.00 C ATOM 1362 CD1 LEU A 87 11.246 -16.458 13.291 1.00 0.00 C ATOM 1363 CD2 LEU A 87 12.625 -15.965 11.220 1.00 0.00 C ATOM 0 H LEU A 87 10.834 -14.085 12.067 1.00 0.00 H new ATOM 0 HA LEU A 87 12.785 -12.945 13.991 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.291 -14.850 13.147 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.214 -15.090 14.509 1.00 0.00 H new ATOM 0 HG LEU A 87 13.270 -17.007 12.955 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.840 -17.332 12.781 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.315 -16.661 14.360 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.589 -15.604 13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.191 -16.849 10.752 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.029 -15.089 10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.645 -15.828 10.861 1.00 0.00 H new ATOM 1375 N ILE A 88 14.030 -11.944 12.144 1.00 0.00 N ATOM 1376 CA ILE A 88 14.643 -11.192 11.064 1.00 0.00 C ATOM 1377 C ILE A 88 16.137 -11.023 11.349 1.00 0.00 C ATOM 1378 O ILE A 88 16.535 -10.814 12.494 1.00 0.00 O ATOM 1379 CB ILE A 88 13.906 -9.869 10.846 1.00 0.00 C ATOM 1380 CG1 ILE A 88 12.423 -10.109 10.554 1.00 0.00 C ATOM 1381 CG2 ILE A 88 14.579 -9.039 9.751 1.00 0.00 C ATOM 1382 CD1 ILE A 88 11.581 -9.941 11.820 1.00 0.00 C ATOM 0 H ILE A 88 14.356 -11.693 13.077 1.00 0.00 H new ATOM 0 HA ILE A 88 14.557 -11.737 10.124 1.00 0.00 H new ATOM 0 HB ILE A 88 13.963 -9.291 11.768 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.081 -9.410 9.790 1.00 0.00 H new ATOM 0 HG13 ILE A 88 12.286 -11.113 10.152 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.035 -8.104 9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.608 -8.822 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.575 -9.599 8.816 1.00 0.00 H new ATOM 0 HD11 ILE A 88 10.531 -10.117 11.585 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.909 -10.658 12.573 1.00 0.00 H new ATOM 0 HD13 ILE A 88 11.702 -8.929 12.206 1.00 0.00 H new ATOM 1394 N PRO A 89 16.945 -11.123 10.259 1.00 0.00 N ATOM 1395 CA PRO A 89 18.386 -10.984 10.381 1.00 0.00 C ATOM 1396 C PRO A 89 18.781 -9.520 10.582 1.00 0.00 C ATOM 1397 O PRO A 89 18.185 -8.625 9.984 1.00 0.00 O ATOM 1398 CB PRO A 89 18.948 -11.581 9.101 1.00 0.00 C ATOM 1399 CG PRO A 89 17.795 -11.607 8.111 1.00 0.00 C ATOM 1400 CD PRO A 89 16.509 -11.370 8.888 1.00 0.00 C ATOM 0 HA PRO A 89 18.786 -11.499 11.254 1.00 0.00 H new ATOM 0 HB2 PRO A 89 19.775 -10.982 8.721 1.00 0.00 H new ATOM 0 HB3 PRO A 89 19.335 -12.585 9.276 1.00 0.00 H new ATOM 0 HG2 PRO A 89 17.928 -10.839 7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 89 17.757 -12.566 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 89 15.956 -10.520 8.489 1.00 0.00 H new ATOM 0 HD3 PRO A 89 15.848 -12.235 8.832 1.00 0.00 H new ATOM 1408 N LYS A 90 19.783 -9.321 11.426 1.00 0.00 N ATOM 1409 CA LYS A 90 20.264 -7.980 11.713 1.00 0.00 C ATOM 1410 C LYS A 90 19.071 -7.032 11.843 1.00 0.00 C ATOM 1411 O LYS A 90 18.708 -6.350 10.885 1.00 0.00 O ATOM 1412 CB LYS A 90 21.287 -7.542 10.663 1.00 0.00 C ATOM 1413 CG LYS A 90 21.698 -6.083 10.874 1.00 0.00 C ATOM 1414 CD LYS A 90 22.868 -5.706 9.963 1.00 0.00 C ATOM 1415 CE LYS A 90 22.575 -4.411 9.202 1.00 0.00 C ATOM 1416 NZ LYS A 90 23.835 -3.774 8.759 1.00 0.00 N ATOM 0 H LYS A 90 20.275 -10.066 11.920 1.00 0.00 H new ATOM 0 HA LYS A 90 20.792 -7.960 12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.167 -8.183 10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 90 20.865 -7.664 9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.849 -5.429 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 90 21.979 -5.927 11.916 1.00 0.00 H new ATOM 0 HD2 LYS A 90 23.773 -5.585 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 90 23.057 -6.513 9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 90 21.945 -4.624 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 90 22.019 -3.725 9.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 23.618 -2.897 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 24.422 -3.553 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 24.351 -4.424 8.133 1.00 0.00 H new ATOM 1430 N PRO A 91 18.478 -7.018 13.067 1.00 0.00 N ATOM 1431 CA PRO A 91 17.333 -6.164 13.335 1.00 0.00 C ATOM 1432 C PRO A 91 17.762 -4.704 13.488 1.00 0.00 C ATOM 1433 O PRO A 91 17.607 -4.116 14.557 1.00 0.00 O ATOM 1434 CB PRO A 91 16.704 -6.734 14.595 1.00 0.00 C ATOM 1435 CG PRO A 91 17.777 -7.592 15.246 1.00 0.00 C ATOM 1436 CD PRO A 91 18.881 -7.812 14.224 1.00 0.00 C ATOM 0 HA PRO A 91 16.614 -6.155 12.516 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.381 -5.937 15.265 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.821 -7.327 14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 91 18.172 -7.100 16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 91 17.360 -8.546 15.569 1.00 0.00 H new ATOM 0 HD2 PRO A 91 19.848 -7.488 14.609 1.00 0.00 H new ATOM 0 HD3 PRO A 91 18.978 -8.867 13.966 1.00 0.00 H new ATOM 1444 N ASP A 92 18.294 -4.159 12.403 1.00 0.00 N ATOM 1445 CA ASP A 92 18.746 -2.779 12.403 1.00 0.00 C ATOM 1446 C ASP A 92 19.029 -2.339 10.965 1.00 0.00 C ATOM 1447 O ASP A 92 19.598 -3.096 10.181 1.00 0.00 O ATOM 1448 CB ASP A 92 20.039 -2.623 13.208 1.00 0.00 C ATOM 1449 CG ASP A 92 20.309 -1.210 13.729 1.00 0.00 C ATOM 1450 OD1 ASP A 92 19.503 -0.317 13.392 1.00 0.00 O ATOM 1451 OD2 ASP A 92 21.317 -1.056 14.453 1.00 0.00 O ATOM 0 H ASP A 92 18.422 -4.649 11.518 1.00 0.00 H new ATOM 0 HA ASP A 92 17.964 -2.168 12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 92 20.006 -3.307 14.056 1.00 0.00 H new ATOM 0 HB3 ASP A 92 20.878 -2.930 12.583 1.00 0.00 H new ATOM 1456 N GLU A 93 18.618 -1.116 10.663 1.00 0.00 N ATOM 1457 CA GLU A 93 18.819 -0.566 9.333 1.00 0.00 C ATOM 1458 C GLU A 93 18.822 0.963 9.386 1.00 0.00 C ATOM 1459 O GLU A 93 18.376 1.555 10.368 1.00 0.00 O ATOM 1460 CB GLU A 93 17.756 -1.079 8.361 1.00 0.00 C ATOM 1461 CG GLU A 93 18.399 -1.807 7.178 1.00 0.00 C ATOM 1462 CD GLU A 93 18.460 -3.315 7.430 1.00 0.00 C ATOM 1463 OE1 GLU A 93 17.405 -3.962 7.259 1.00 0.00 O ATOM 1464 OE2 GLU A 93 19.561 -3.786 7.789 1.00 0.00 O ATOM 0 H GLU A 93 18.147 -0.490 11.316 1.00 0.00 H new ATOM 0 HA GLU A 93 19.790 -0.899 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.077 -1.754 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.158 -0.244 7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 93 17.828 -1.609 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.405 -1.421 7.012 1.00 0.00 H new ATOM 1471 N SER A 94 19.330 1.559 8.317 1.00 0.00 N ATOM 1472 CA SER A 94 19.397 3.008 8.230 1.00 0.00 C ATOM 1473 C SER A 94 19.693 3.432 6.790 1.00 0.00 C ATOM 1474 O SER A 94 20.458 2.771 6.089 1.00 0.00 O ATOM 1475 CB SER A 94 20.460 3.569 9.177 1.00 0.00 C ATOM 1476 OG SER A 94 19.880 4.220 10.304 1.00 0.00 O ATOM 0 H SER A 94 19.699 1.065 7.504 1.00 0.00 H new ATOM 0 HA SER A 94 18.431 3.413 8.531 1.00 0.00 H new ATOM 0 HB2 SER A 94 21.105 2.759 9.518 1.00 0.00 H new ATOM 0 HB3 SER A 94 21.092 4.274 8.636 1.00 0.00 H new ATOM 0 HG SER A 94 19.192 3.643 10.697 1.00 0.00 H new ATOM 1482 N GLY A 95 19.071 4.532 6.391 1.00 0.00 N ATOM 1483 CA GLY A 95 19.258 5.052 5.047 1.00 0.00 C ATOM 1484 C GLY A 95 18.888 6.535 4.976 1.00 0.00 C ATOM 1485 O GLY A 95 18.545 7.141 5.989 1.00 0.00 O ATOM 0 H GLY A 95 18.437 5.077 6.975 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.296 4.918 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.644 4.486 4.346 1.00 0.00 H new ATOM 1489 N PRO A 96 18.973 7.090 3.737 1.00 0.00 N ATOM 1490 CA PRO A 96 18.651 8.490 3.521 1.00 0.00 C ATOM 1491 C PRO A 96 17.138 8.717 3.557 1.00 0.00 C ATOM 1492 O PRO A 96 16.363 7.762 3.536 1.00 0.00 O ATOM 1493 CB PRO A 96 19.271 8.833 2.177 1.00 0.00 C ATOM 1494 CG PRO A 96 19.513 7.505 1.478 1.00 0.00 C ATOM 1495 CD PRO A 96 19.376 6.402 2.515 1.00 0.00 C ATOM 0 HA PRO A 96 19.045 9.138 4.304 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.606 9.467 1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 96 20.204 9.382 2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 96 18.795 7.362 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 96 20.506 7.485 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 96 18.633 5.664 2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 96 20.317 5.869 2.653 1.00 0.00 H new ATOM 1503 N SER A 97 16.763 9.986 3.611 1.00 0.00 N ATOM 1504 CA SER A 97 15.357 10.350 3.650 1.00 0.00 C ATOM 1505 C SER A 97 15.153 11.721 3.002 1.00 0.00 C ATOM 1506 O SER A 97 15.532 12.744 3.571 1.00 0.00 O ATOM 1507 CB SER A 97 14.830 10.359 5.086 1.00 0.00 C ATOM 1508 OG SER A 97 15.453 11.367 5.878 1.00 0.00 O ATOM 0 H SER A 97 17.409 10.776 3.629 1.00 0.00 H new ATOM 0 HA SER A 97 14.795 9.603 3.090 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.752 10.521 5.075 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.001 9.383 5.541 1.00 0.00 H new ATOM 0 HG SER A 97 15.666 12.140 5.315 1.00 0.00 H new ATOM 1514 N SER A 98 14.556 11.698 1.819 1.00 0.00 N ATOM 1515 CA SER A 98 14.297 12.927 1.087 1.00 0.00 C ATOM 1516 C SER A 98 12.949 12.834 0.370 1.00 0.00 C ATOM 1517 O SER A 98 12.374 11.753 0.259 1.00 0.00 O ATOM 1518 CB SER A 98 15.415 13.215 0.083 1.00 0.00 C ATOM 1519 OG SER A 98 15.561 12.164 -0.868 1.00 0.00 O ATOM 0 H SER A 98 14.244 10.848 1.349 1.00 0.00 H new ATOM 0 HA SER A 98 14.265 13.751 1.800 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.203 14.149 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.355 13.354 0.617 1.00 0.00 H new ATOM 0 HG SER A 98 16.283 12.386 -1.492 1.00 0.00 H new ATOM 1525 N GLY A 99 12.485 13.983 -0.099 1.00 0.00 N ATOM 1526 CA GLY A 99 11.215 14.045 -0.803 1.00 0.00 C ATOM 1527 C GLY A 99 10.565 15.421 -0.640 1.00 0.00 C ATOM 1528 O GLY A 99 10.304 16.109 -1.626 1.00 0.00 O ATOM 0 H GLY A 99 12.965 14.878 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.371 13.835 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.545 13.275 -0.421 1.00 0.00 H new TER 1532 GLY A 99