USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 58 GLN : amide:sc= -0.0168 X(o=-0.041,f=0.11) USER MOD Set 1.2: A 65 THR OG1 : rot 130:sc= -0.0244 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -5.55! C(o=-5.6!,f=-6.3!) USER MOD Single : A 13 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.066) USER MOD Single : A 15 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.8) USER MOD Single : A 35 HIS : no HD1:sc= -0.038 K(o=-0.038,f=-0.7) USER MOD Single : A 36 THR OG1 : rot 109:sc= 0.191 USER MOD Single : A 37 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.534 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -139:sc= 1.15 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -130:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -99:sc= -0.272 (180deg=-1.74!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.19! USER MOD Single : A 63 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.43) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.574 K(o=-0.57,f=-1.2) USER MOD Single : A 73 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 74 THR OG1 : rot -160:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.71 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.106 USER MOD Single : A 90 ASN : amide:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0.445 (180deg=0.445) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.327 USER MOD Single : A 99 THR OG1 : rot 159:sc= 2.09 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 6.100 13.902 -3.592 1.00 0.00 N ATOM 67 CA PRO A 8 5.451 13.941 -2.279 1.00 0.00 C ATOM 68 C PRO A 8 3.946 13.712 -2.369 1.00 0.00 C ATOM 69 O PRO A 8 3.283 13.477 -1.358 1.00 0.00 O ATOM 70 CB PRO A 8 5.747 15.358 -1.779 1.00 0.00 C ATOM 71 CG PRO A 8 5.952 16.161 -3.017 1.00 0.00 C ATOM 72 CD PRO A 8 6.579 15.228 -4.016 1.00 0.00 C ATOM 0 HA PRO A 8 5.819 13.155 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.921 15.749 -1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.632 15.377 -1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.005 16.553 -3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.598 17.018 -2.824 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.267 15.461 -5.034 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.667 15.288 -3.994 1.00 0.00 H new ATOM 80 N ASP A 9 3.414 13.780 -3.584 1.00 0.00 N ATOM 81 CA ASP A 9 1.986 13.578 -3.806 1.00 0.00 C ATOM 82 C ASP A 9 1.496 12.327 -3.084 1.00 0.00 C ATOM 83 O ASP A 9 0.407 12.315 -2.511 1.00 0.00 O ATOM 84 CB ASP A 9 1.692 13.467 -5.302 1.00 0.00 C ATOM 85 CG ASP A 9 0.291 13.928 -5.653 1.00 0.00 C ATOM 86 OD1 ASP A 9 -0.664 13.162 -5.407 1.00 0.00 O ATOM 87 OD2 ASP A 9 0.150 15.055 -6.173 1.00 0.00 O ATOM 0 H ASP A 9 3.949 13.973 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 9 1.455 14.440 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.417 14.063 -5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.821 12.432 -5.619 1.00 0.00 H new ATOM 92 N ALA A 10 2.307 11.274 -3.117 1.00 0.00 N ATOM 93 CA ALA A 10 1.957 10.019 -2.466 1.00 0.00 C ATOM 94 C ALA A 10 2.192 10.096 -0.961 1.00 0.00 C ATOM 95 O ALA A 10 2.936 10.944 -0.468 1.00 0.00 O ATOM 96 CB ALA A 10 2.754 8.871 -3.068 1.00 0.00 C ATOM 0 H ALA A 10 3.212 11.266 -3.588 1.00 0.00 H new ATOM 0 HA ALA A 10 0.895 9.837 -2.633 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.482 7.940 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.532 8.793 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.819 9.057 -2.932 1.00 0.00 H new ATOM 102 N PRO A 11 1.544 9.192 -0.212 1.00 0.00 N ATOM 103 CA PRO A 11 1.668 9.138 1.247 1.00 0.00 C ATOM 104 C PRO A 11 3.046 8.665 1.695 1.00 0.00 C ATOM 105 O PRO A 11 3.919 8.394 0.870 1.00 0.00 O ATOM 106 CB PRO A 11 0.596 8.124 1.657 1.00 0.00 C ATOM 107 CG PRO A 11 0.413 7.261 0.456 1.00 0.00 C ATOM 108 CD PRO A 11 0.641 8.151 -0.733 1.00 0.00 C ATOM 0 HA PRO A 11 1.543 10.120 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.914 7.539 2.520 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.334 8.621 1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.118 6.430 0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.588 6.830 0.434 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.092 7.606 -1.562 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.292 8.576 -1.101 1.00 0.00 H new ATOM 116 N ARG A 12 3.236 8.568 3.007 1.00 0.00 N ATOM 117 CA ARG A 12 4.509 8.129 3.565 1.00 0.00 C ATOM 118 C ARG A 12 4.301 7.403 4.891 1.00 0.00 C ATOM 119 O ARG A 12 3.246 7.517 5.512 1.00 0.00 O ATOM 120 CB ARG A 12 5.442 9.325 3.766 1.00 0.00 C ATOM 121 CG ARG A 12 5.615 10.179 2.521 1.00 0.00 C ATOM 122 CD ARG A 12 6.349 11.474 2.831 1.00 0.00 C ATOM 123 NE ARG A 12 7.799 11.307 2.782 1.00 0.00 N ATOM 124 CZ ARG A 12 8.521 10.851 3.799 1.00 0.00 C ATOM 125 NH1 ARG A 12 7.931 10.517 4.938 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.837 10.727 3.677 1.00 0.00 N ATOM 0 H ARG A 12 2.524 8.788 3.703 1.00 0.00 H new ATOM 0 HA ARG A 12 4.966 7.435 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.053 9.947 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.419 8.963 4.086 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.168 9.618 1.767 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.637 10.406 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.048 12.241 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.058 11.828 3.820 1.00 0.00 H new ATOM 0 HE ARG A 12 8.284 11.554 1.919 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.920 10.610 5.035 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.488 10.167 5.717 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.294 10.982 2.802 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.391 10.377 4.459 1.00 0.00 H new ATOM 140 N ASN A 13 5.316 6.658 5.317 1.00 0.00 N ATOM 141 CA ASN A 13 5.243 5.913 6.569 1.00 0.00 C ATOM 142 C ASN A 13 4.324 4.703 6.429 1.00 0.00 C ATOM 143 O ASN A 13 3.477 4.451 7.288 1.00 0.00 O ATOM 144 CB ASN A 13 4.746 6.818 7.697 1.00 0.00 C ATOM 145 CG ASN A 13 5.078 6.266 9.070 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.201 6.411 9.555 1.00 0.00 O ATOM 147 ND2 ASN A 13 4.101 5.629 9.704 1.00 0.00 N ATOM 0 H ASN A 13 6.198 6.554 4.815 1.00 0.00 H new ATOM 0 HA ASN A 13 6.245 5.559 6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.191 7.807 7.589 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.667 6.943 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.266 5.236 10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.186 5.532 9.264 1.00 0.00 H new ATOM 154 N LEU A 14 4.497 3.957 5.344 1.00 0.00 N ATOM 155 CA LEU A 14 3.683 2.773 5.091 1.00 0.00 C ATOM 156 C LEU A 14 4.036 1.653 6.064 1.00 0.00 C ATOM 157 O LEU A 14 5.035 0.956 5.887 1.00 0.00 O ATOM 158 CB LEU A 14 3.878 2.294 3.652 1.00 0.00 C ATOM 159 CG LEU A 14 3.057 1.073 3.234 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.581 1.427 3.145 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.557 0.524 1.906 1.00 0.00 C ATOM 0 H LEU A 14 5.194 4.151 4.625 1.00 0.00 H new ATOM 0 HA LEU A 14 2.637 3.042 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.635 3.117 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.934 2.064 3.507 1.00 0.00 H new ATOM 0 HG LEU A 14 3.179 0.300 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.013 0.546 2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.230 1.772 4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.440 2.217 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.962 -0.344 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.466 1.292 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.602 0.231 2.004 1.00 0.00 H new ATOM 173 N GLN A 15 3.209 1.485 7.091 1.00 0.00 N ATOM 174 CA GLN A 15 3.433 0.448 8.091 1.00 0.00 C ATOM 175 C GLN A 15 2.262 -0.527 8.137 1.00 0.00 C ATOM 176 O GLN A 15 1.163 -0.174 8.568 1.00 0.00 O ATOM 177 CB GLN A 15 3.643 1.076 9.470 1.00 0.00 C ATOM 178 CG GLN A 15 5.097 1.395 9.778 1.00 0.00 C ATOM 179 CD GLN A 15 5.901 0.162 10.142 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.465 -0.967 9.914 1.00 0.00 O ATOM 181 NE2 GLN A 15 7.083 0.372 10.710 1.00 0.00 N ATOM 0 H GLN A 15 2.378 2.054 7.252 1.00 0.00 H new ATOM 0 HA GLN A 15 4.330 -0.104 7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.057 1.993 9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.259 0.397 10.232 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.550 1.877 8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.142 2.109 10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.405 1.325 10.880 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.669 -0.419 10.976 1.00 0.00 H new ATOM 190 N LEU A 16 2.502 -1.755 7.689 1.00 0.00 N ATOM 191 CA LEU A 16 1.466 -2.782 7.679 1.00 0.00 C ATOM 192 C LEU A 16 1.433 -3.535 9.005 1.00 0.00 C ATOM 193 O LEU A 16 2.475 -3.820 9.595 1.00 0.00 O ATOM 194 CB LEU A 16 1.704 -3.762 6.528 1.00 0.00 C ATOM 195 CG LEU A 16 2.029 -3.137 5.171 1.00 0.00 C ATOM 196 CD1 LEU A 16 1.234 -1.856 4.969 1.00 0.00 C ATOM 197 CD2 LEU A 16 3.521 -2.865 5.053 1.00 0.00 C ATOM 0 H LEU A 16 3.405 -2.063 7.328 1.00 0.00 H new ATOM 0 HA LEU A 16 0.503 -2.291 7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.523 -4.425 6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.815 -4.383 6.416 1.00 0.00 H new ATOM 0 HG LEU A 16 1.746 -3.843 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.478 -1.425 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.168 -2.079 5.009 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.485 -1.144 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.734 -2.420 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.829 -2.178 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.070 -3.801 5.152 1.00 0.00 H new ATOM 209 N SER A 17 0.229 -3.858 9.466 1.00 0.00 N ATOM 210 CA SER A 17 0.060 -4.577 10.723 1.00 0.00 C ATOM 211 C SER A 17 -0.939 -5.720 10.565 1.00 0.00 C ATOM 212 O SER A 17 -1.489 -5.934 9.484 1.00 0.00 O ATOM 213 CB SER A 17 -0.411 -3.622 11.822 1.00 0.00 C ATOM 214 OG SER A 17 0.136 -2.328 11.642 1.00 0.00 O ATOM 0 H SER A 17 -0.644 -3.633 8.988 1.00 0.00 H new ATOM 0 HA SER A 17 1.025 -4.997 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.499 -3.564 11.816 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.118 -4.012 12.797 1.00 0.00 H new ATOM 0 HG SER A 17 -0.181 -1.736 12.356 1.00 0.00 H new ATOM 220 N LEU A 18 -1.167 -6.452 11.650 1.00 0.00 N ATOM 221 CA LEU A 18 -2.099 -7.574 11.633 1.00 0.00 C ATOM 222 C LEU A 18 -2.993 -7.558 12.869 1.00 0.00 C ATOM 223 O LEU A 18 -2.530 -7.394 13.998 1.00 0.00 O ATOM 224 CB LEU A 18 -1.334 -8.897 11.560 1.00 0.00 C ATOM 225 CG LEU A 18 -0.552 -9.149 10.270 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.625 -10.076 10.533 1.00 0.00 C ATOM 227 CD2 LEU A 18 -1.463 -9.732 9.200 1.00 0.00 C ATOM 0 H LEU A 18 -0.720 -6.289 12.552 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.730 -7.477 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.638 -8.938 12.397 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.044 -9.713 11.696 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.165 -8.196 9.910 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.170 -10.244 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.290 -9.620 11.267 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.259 -11.028 10.917 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.890 -9.905 8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.879 -10.676 9.552 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.273 -9.033 8.992 1.00 0.00 H new ATOM 239 N PRO A 19 -4.305 -7.734 12.653 1.00 0.00 N ATOM 240 CA PRO A 19 -5.291 -7.746 13.738 1.00 0.00 C ATOM 241 C PRO A 19 -5.170 -8.986 14.617 1.00 0.00 C ATOM 242 O PRO A 19 -5.148 -10.112 14.120 1.00 0.00 O ATOM 243 CB PRO A 19 -6.631 -7.744 12.999 1.00 0.00 C ATOM 244 CG PRO A 19 -6.333 -8.348 11.671 1.00 0.00 C ATOM 245 CD PRO A 19 -4.927 -7.934 11.334 1.00 0.00 C ATOM 0 HA PRO A 19 -5.161 -6.903 14.416 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.381 -8.323 13.538 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.024 -6.733 12.895 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.422 -9.434 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.035 -7.996 10.916 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.409 -8.701 10.758 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.909 -7.021 10.738 1.00 0.00 H new ATOM 253 N ARG A 20 -5.092 -8.772 15.927 1.00 0.00 N ATOM 254 CA ARG A 20 -4.972 -9.873 16.875 1.00 0.00 C ATOM 255 C ARG A 20 -6.324 -10.543 17.103 1.00 0.00 C ATOM 256 O ARG A 20 -6.433 -11.491 17.881 1.00 0.00 O ATOM 257 CB ARG A 20 -4.410 -9.369 18.205 1.00 0.00 C ATOM 258 CG ARG A 20 -5.364 -8.463 18.966 1.00 0.00 C ATOM 259 CD ARG A 20 -4.621 -7.566 19.944 1.00 0.00 C ATOM 260 NE ARG A 20 -5.488 -6.537 20.511 1.00 0.00 N ATOM 261 CZ ARG A 20 -5.050 -5.554 21.289 1.00 0.00 C ATOM 262 NH1 ARG A 20 -3.762 -5.466 21.590 1.00 0.00 N ATOM 263 NH2 ARG A 20 -5.902 -4.656 21.768 1.00 0.00 N ATOM 0 H ARG A 20 -5.110 -7.846 16.355 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.287 -10.609 16.454 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.159 -10.225 18.831 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.482 -8.829 18.016 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.924 -7.849 18.261 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.090 -9.070 19.507 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.205 -8.173 20.748 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.781 -7.092 19.435 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.485 -6.575 20.298 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.104 -6.154 21.224 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.428 -4.710 22.188 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.894 -4.721 21.539 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.565 -3.901 22.366 1.00 0.00 H new ATOM 277 N GLU A 21 -7.349 -10.044 16.420 1.00 0.00 N ATOM 278 CA GLU A 21 -8.693 -10.594 16.550 1.00 0.00 C ATOM 279 C GLU A 21 -9.256 -10.984 15.186 1.00 0.00 C ATOM 280 O GLU A 21 -10.455 -11.217 15.041 1.00 0.00 O ATOM 281 CB GLU A 21 -9.620 -9.581 17.226 1.00 0.00 C ATOM 282 CG GLU A 21 -9.598 -9.654 18.743 1.00 0.00 C ATOM 283 CD GLU A 21 -10.477 -10.764 19.286 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.513 -11.848 18.666 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.127 -10.550 20.331 1.00 0.00 O ATOM 0 H GLU A 21 -7.275 -9.260 15.771 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.633 -11.490 17.168 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.335 -8.576 16.915 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.640 -9.745 16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.573 -9.809 19.081 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.928 -8.700 19.154 1.00 0.00 H new ATOM 292 N ALA A 22 -8.380 -11.053 14.189 1.00 0.00 N ATOM 293 CA ALA A 22 -8.787 -11.416 12.838 1.00 0.00 C ATOM 294 C ALA A 22 -7.641 -12.071 12.076 1.00 0.00 C ATOM 295 O ALA A 22 -6.510 -11.587 12.101 1.00 0.00 O ATOM 296 CB ALA A 22 -9.287 -10.189 12.090 1.00 0.00 C ATOM 0 H ALA A 22 -7.383 -10.862 14.292 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.599 -12.139 12.912 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.588 -10.475 11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.142 -9.765 12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.490 -9.447 12.034 1.00 0.00 H new ATOM 302 N GLU A 23 -7.941 -13.175 11.399 1.00 0.00 N ATOM 303 CA GLU A 23 -6.933 -13.897 10.631 1.00 0.00 C ATOM 304 C GLU A 23 -7.031 -13.554 9.147 1.00 0.00 C ATOM 305 O GLU A 23 -8.024 -12.988 8.694 1.00 0.00 O ATOM 306 CB GLU A 23 -7.093 -15.406 10.828 1.00 0.00 C ATOM 307 CG GLU A 23 -6.527 -15.911 12.145 1.00 0.00 C ATOM 308 CD GLU A 23 -6.694 -17.408 12.316 1.00 0.00 C ATOM 309 OE1 GLU A 23 -5.945 -18.166 11.664 1.00 0.00 O ATOM 310 OE2 GLU A 23 -7.573 -17.823 13.100 1.00 0.00 O ATOM 0 H GLU A 23 -8.873 -13.589 11.367 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.951 -13.593 10.993 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.152 -15.661 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.599 -15.926 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.468 -15.659 12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.022 -15.398 12.969 1.00 0.00 H new ATOM 317 N GLY A 24 -5.991 -13.902 8.395 1.00 0.00 N ATOM 318 CA GLY A 24 -5.978 -13.623 6.971 1.00 0.00 C ATOM 319 C GLY A 24 -6.341 -12.184 6.659 1.00 0.00 C ATOM 320 O GLY A 24 -6.942 -11.898 5.624 1.00 0.00 O ATOM 0 H GLY A 24 -5.157 -14.372 8.747 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.988 -13.840 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.679 -14.289 6.467 1.00 0.00 H new ATOM 324 N VAL A 25 -5.976 -11.275 7.558 1.00 0.00 N ATOM 325 CA VAL A 25 -6.267 -9.859 7.374 1.00 0.00 C ATOM 326 C VAL A 25 -5.023 -9.008 7.601 1.00 0.00 C ATOM 327 O VAL A 25 -4.235 -9.272 8.510 1.00 0.00 O ATOM 328 CB VAL A 25 -7.379 -9.385 8.329 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.569 -7.880 8.224 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.680 -10.117 8.035 1.00 0.00 C ATOM 0 H VAL A 25 -5.478 -11.495 8.421 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.605 -9.737 6.345 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.080 -9.618 9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.359 -7.564 8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.639 -7.377 8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.846 -7.619 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.455 -9.770 8.719 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.986 -9.917 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.532 -11.189 8.167 1.00 0.00 H new ATOM 340 N ILE A 26 -4.852 -7.986 6.769 1.00 0.00 N ATOM 341 CA ILE A 26 -3.703 -7.095 6.879 1.00 0.00 C ATOM 342 C ILE A 26 -4.146 -5.644 7.034 1.00 0.00 C ATOM 343 O ILE A 26 -4.850 -5.104 6.181 1.00 0.00 O ATOM 344 CB ILE A 26 -2.781 -7.211 5.651 1.00 0.00 C ATOM 345 CG1 ILE A 26 -2.174 -8.613 5.572 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.686 -6.156 5.711 1.00 0.00 C ATOM 347 CD1 ILE A 26 -1.410 -8.869 4.292 1.00 0.00 C ATOM 0 H ILE A 26 -5.494 -7.754 6.011 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.150 -7.400 7.767 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.374 -7.042 4.752 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.505 -8.759 6.420 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.971 -9.351 5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.042 -6.250 4.837 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.137 -5.164 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.094 -6.297 6.615 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.008 -9.882 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.080 -8.755 3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.591 -8.154 4.208 1.00 0.00 H new ATOM 359 N VAL A 27 -3.727 -5.017 8.129 1.00 0.00 N ATOM 360 CA VAL A 27 -4.078 -3.627 8.395 1.00 0.00 C ATOM 361 C VAL A 27 -2.959 -2.686 7.963 1.00 0.00 C ATOM 362 O VAL A 27 -1.968 -2.516 8.673 1.00 0.00 O ATOM 363 CB VAL A 27 -4.377 -3.400 9.888 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.822 -1.965 10.132 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.431 -4.383 10.376 1.00 0.00 C ATOM 0 H VAL A 27 -3.144 -5.450 8.846 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.975 -3.410 7.816 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.462 -3.573 10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.029 -1.824 11.193 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.032 -1.281 9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.725 -1.761 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.630 -4.208 11.433 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.350 -4.244 9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.069 -5.402 10.239 1.00 0.00 H new ATOM 375 N GLY A 28 -3.124 -2.075 6.794 1.00 0.00 N ATOM 376 CA GLY A 28 -2.121 -1.157 6.288 1.00 0.00 C ATOM 377 C GLY A 28 -2.343 0.265 6.762 1.00 0.00 C ATOM 378 O GLY A 28 -3.481 0.729 6.845 1.00 0.00 O ATOM 0 H GLY A 28 -3.935 -2.200 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.134 -1.492 6.605 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.130 -1.179 5.198 1.00 0.00 H new ATOM 382 N HIS A 29 -1.254 0.960 7.076 1.00 0.00 N ATOM 383 CA HIS A 29 -1.335 2.338 7.546 1.00 0.00 C ATOM 384 C HIS A 29 -0.365 3.232 6.779 1.00 0.00 C ATOM 385 O HIS A 29 0.592 2.749 6.175 1.00 0.00 O ATOM 386 CB HIS A 29 -1.035 2.407 9.043 1.00 0.00 C ATOM 387 CG HIS A 29 -1.864 1.468 9.864 1.00 0.00 C ATOM 388 ND1 HIS A 29 -1.358 0.317 10.431 1.00 0.00 N ATOM 389 CD2 HIS A 29 -3.171 1.515 10.214 1.00 0.00 C ATOM 390 CE1 HIS A 29 -2.319 -0.304 11.093 1.00 0.00 C ATOM 391 NE2 HIS A 29 -3.429 0.403 10.977 1.00 0.00 N ATOM 0 H HIS A 29 -0.305 0.591 7.013 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.349 2.697 7.369 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.020 2.184 9.204 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.202 3.426 9.392 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -0.393 -0.005 10.352 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.879 2.284 9.943 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.215 -1.232 11.636 1.00 0.00 H new ATOM 399 N TRP A 30 -0.621 4.535 6.808 1.00 0.00 N ATOM 400 CA TRP A 30 0.230 5.496 6.114 1.00 0.00 C ATOM 401 C TRP A 30 -0.062 6.917 6.582 1.00 0.00 C ATOM 402 O TRP A 30 -0.939 7.138 7.416 1.00 0.00 O ATOM 403 CB TRP A 30 0.025 5.391 4.602 1.00 0.00 C ATOM 404 CG TRP A 30 -1.404 5.564 4.183 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.035 6.739 3.887 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.379 4.529 4.015 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.343 6.496 3.545 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.579 5.149 3.615 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.355 3.140 4.162 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.742 4.425 3.363 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.509 2.423 3.911 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.690 3.066 3.514 1.00 0.00 C ATOM 0 H TRP A 30 -1.410 4.950 7.304 1.00 0.00 H new ATOM 0 HA TRP A 30 1.268 5.262 6.349 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.635 6.146 4.106 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.381 4.419 4.261 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.574 7.715 3.917 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.028 7.204 3.281 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.450 2.635 4.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.653 4.919 3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.501 1.349 4.023 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.575 2.478 3.324 1.00 0.00 H new ATOM 423 N ALA A 31 0.679 7.878 6.039 1.00 0.00 N ATOM 424 CA ALA A 31 0.498 9.278 6.400 1.00 0.00 C ATOM 425 C ALA A 31 0.160 10.121 5.175 1.00 0.00 C ATOM 426 O ALA A 31 0.347 9.703 4.032 1.00 0.00 O ATOM 427 CB ALA A 31 1.748 9.814 7.082 1.00 0.00 C ATOM 0 H ALA A 31 1.410 7.712 5.348 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.338 9.342 7.096 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.598 10.861 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.946 9.237 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.597 9.729 6.404 1.00 0.00 H new ATOM 433 N PRO A 32 -0.352 11.338 5.416 1.00 0.00 N ATOM 434 CA PRO A 32 -0.727 12.265 4.344 1.00 0.00 C ATOM 435 C PRO A 32 0.486 12.814 3.601 1.00 0.00 C ATOM 436 O PRO A 32 1.564 12.990 4.168 1.00 0.00 O ATOM 437 CB PRO A 32 -1.454 13.389 5.086 1.00 0.00 C ATOM 438 CG PRO A 32 -0.903 13.348 6.470 1.00 0.00 C ATOM 439 CD PRO A 32 -0.602 11.902 6.752 1.00 0.00 C ATOM 0 HA PRO A 32 -1.332 11.780 3.579 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.272 14.356 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.533 13.231 5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.003 13.957 6.550 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.621 13.745 7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.265 11.792 7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.437 11.407 7.247 1.00 0.00 H new ATOM 447 N PRO A 33 0.308 13.093 2.301 1.00 0.00 N ATOM 448 CA PRO A 33 1.377 13.628 1.453 1.00 0.00 C ATOM 449 C PRO A 33 1.739 15.065 1.813 1.00 0.00 C ATOM 450 O PRO A 33 0.883 15.842 2.236 1.00 0.00 O ATOM 451 CB PRO A 33 0.780 13.563 0.045 1.00 0.00 C ATOM 452 CG PRO A 33 -0.694 13.615 0.257 1.00 0.00 C ATOM 453 CD PRO A 33 -0.951 12.909 1.559 1.00 0.00 C ATOM 0 HA PRO A 33 2.304 13.066 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.122 14.396 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.074 12.648 -0.468 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.046 14.646 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.223 13.128 -0.562 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.798 13.342 2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.177 11.854 1.406 1.00 0.00 H new ATOM 461 N ILE A 34 3.010 15.411 1.641 1.00 0.00 N ATOM 462 CA ILE A 34 3.483 16.756 1.947 1.00 0.00 C ATOM 463 C ILE A 34 2.738 17.801 1.123 1.00 0.00 C ATOM 464 O ILE A 34 2.370 18.860 1.631 1.00 0.00 O ATOM 465 CB ILE A 34 4.994 16.894 1.685 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.767 15.816 2.447 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.476 18.281 2.083 1.00 0.00 C ATOM 468 CD1 ILE A 34 7.135 15.529 1.869 1.00 0.00 C ATOM 0 H ILE A 34 3.731 14.779 1.292 1.00 0.00 H new ATOM 0 HA ILE A 34 3.289 16.926 3.006 1.00 0.00 H new ATOM 0 HB ILE A 34 5.177 16.759 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.879 16.127 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.183 14.896 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.546 18.363 1.892 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.944 19.032 1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.283 18.443 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.625 14.755 2.460 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.031 15.188 0.839 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.737 16.437 1.891 1.00 0.00 H new ATOM 480 N HIS A 35 2.517 17.495 -0.151 1.00 0.00 N ATOM 481 CA HIS A 35 1.813 18.407 -1.046 1.00 0.00 C ATOM 482 C HIS A 35 1.183 17.648 -2.209 1.00 0.00 C ATOM 483 O HIS A 35 1.769 16.704 -2.740 1.00 0.00 O ATOM 484 CB HIS A 35 2.770 19.474 -1.576 1.00 0.00 C ATOM 485 CG HIS A 35 2.081 20.724 -2.031 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.262 20.771 -3.140 1.00 0.00 N ATOM 487 CD2 HIS A 35 2.092 21.977 -1.520 1.00 0.00 C ATOM 488 CE1 HIS A 35 0.800 21.999 -3.291 1.00 0.00 C ATOM 489 NE2 HIS A 35 1.288 22.750 -2.320 1.00 0.00 N ATOM 0 H HIS A 35 2.815 16.623 -0.587 1.00 0.00 H new ATOM 0 HA HIS A 35 1.018 18.892 -0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.487 19.728 -0.795 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.339 19.059 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.633 22.307 -0.645 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.136 22.332 -4.075 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.098 23.743 -2.186 1.00 0.00 H new ATOM 497 N THR A 36 -0.017 18.065 -2.602 1.00 0.00 N ATOM 498 CA THR A 36 -0.728 17.425 -3.701 1.00 0.00 C ATOM 499 C THR A 36 -1.290 18.459 -4.669 1.00 0.00 C ATOM 500 O THR A 36 -1.723 19.536 -4.260 1.00 0.00 O ATOM 501 CB THR A 36 -1.880 16.541 -3.185 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.778 17.322 -2.389 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.344 15.379 -2.362 1.00 0.00 C ATOM 0 H THR A 36 -0.517 18.844 -2.174 1.00 0.00 H new ATOM 0 HA THR A 36 -0.005 16.799 -4.223 1.00 0.00 H new ATOM 0 HB THR A 36 -2.414 16.139 -4.046 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.618 17.453 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.176 14.769 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.684 14.770 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.788 15.764 -1.507 1.00 0.00 H new ATOM 511 N HIS A 37 -1.282 18.124 -5.956 1.00 0.00 N ATOM 512 CA HIS A 37 -1.793 19.024 -6.983 1.00 0.00 C ATOM 513 C HIS A 37 -3.126 19.632 -6.558 1.00 0.00 C ATOM 514 O HIS A 37 -3.263 20.852 -6.468 1.00 0.00 O ATOM 515 CB HIS A 37 -1.958 18.279 -8.308 1.00 0.00 C ATOM 516 CG HIS A 37 -0.663 18.010 -9.009 1.00 0.00 C ATOM 517 ND1 HIS A 37 -0.491 16.972 -9.901 1.00 0.00 N ATOM 518 CD2 HIS A 37 0.527 18.651 -8.948 1.00 0.00 C ATOM 519 CE1 HIS A 37 0.749 16.986 -10.356 1.00 0.00 C ATOM 520 NE2 HIS A 37 1.388 17.996 -9.793 1.00 0.00 N ATOM 0 H HIS A 37 -0.927 17.236 -6.312 1.00 0.00 H new ATOM 0 HA HIS A 37 -1.072 19.830 -7.116 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.465 17.332 -8.122 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.603 18.862 -8.965 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.757 19.518 -8.346 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.169 16.290 -11.067 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.362 18.248 -9.959 1.00 0.00 H new ATOM 528 N GLY A 38 -4.107 18.774 -6.299 1.00 0.00 N ATOM 529 CA GLY A 38 -5.417 19.245 -5.887 1.00 0.00 C ATOM 530 C GLY A 38 -5.934 18.523 -4.660 1.00 0.00 C ATOM 531 O GLY A 38 -5.328 17.555 -4.198 1.00 0.00 O ATOM 0 H GLY A 38 -4.018 17.760 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.367 20.314 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.122 19.111 -6.707 1.00 0.00 H new ATOM 535 N LEU A 39 -7.057 18.993 -4.128 1.00 0.00 N ATOM 536 CA LEU A 39 -7.656 18.386 -2.944 1.00 0.00 C ATOM 537 C LEU A 39 -7.660 16.864 -3.055 1.00 0.00 C ATOM 538 O LEU A 39 -8.065 16.308 -4.076 1.00 0.00 O ATOM 539 CB LEU A 39 -9.084 18.898 -2.750 1.00 0.00 C ATOM 540 CG LEU A 39 -9.795 18.439 -1.477 1.00 0.00 C ATOM 541 CD1 LEU A 39 -10.803 19.483 -1.022 1.00 0.00 C ATOM 542 CD2 LEU A 39 -10.479 17.098 -1.703 1.00 0.00 C ATOM 0 H LEU A 39 -7.571 19.793 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.055 18.668 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.062 19.988 -2.757 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.680 18.586 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.050 18.317 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.299 19.139 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.288 20.422 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.545 19.638 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.980 16.786 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.213 17.194 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.734 16.352 -1.981 1.00 0.00 H new ATOM 554 N ILE A 40 -7.209 16.198 -1.998 1.00 0.00 N ATOM 555 CA ILE A 40 -7.164 14.741 -1.976 1.00 0.00 C ATOM 556 C ILE A 40 -8.552 14.152 -1.751 1.00 0.00 C ATOM 557 O ILE A 40 -9.138 14.308 -0.680 1.00 0.00 O ATOM 558 CB ILE A 40 -6.215 14.223 -0.879 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.799 14.757 -1.105 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.216 12.702 -0.852 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.002 14.917 0.171 1.00 0.00 C ATOM 0 H ILE A 40 -6.870 16.644 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.790 14.422 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.569 14.584 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.267 14.080 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.859 15.721 -1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.541 12.352 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.224 12.342 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.884 12.321 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.009 15.299 -0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.512 15.617 0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.910 13.950 0.666 1.00 0.00 H new ATOM 573 N ARG A 41 -9.072 13.472 -2.769 1.00 0.00 N ATOM 574 CA ARG A 41 -10.392 12.858 -2.682 1.00 0.00 C ATOM 575 C ARG A 41 -10.363 11.634 -1.772 1.00 0.00 C ATOM 576 O ARG A 41 -11.222 11.475 -0.905 1.00 0.00 O ATOM 577 CB ARG A 41 -10.884 12.460 -4.075 1.00 0.00 C ATOM 578 CG ARG A 41 -11.105 13.642 -5.004 1.00 0.00 C ATOM 579 CD ARG A 41 -12.110 13.312 -6.096 1.00 0.00 C ATOM 580 NE ARG A 41 -13.457 13.127 -5.563 1.00 0.00 N ATOM 581 CZ ARG A 41 -14.554 13.161 -6.310 1.00 0.00 C ATOM 582 NH1 ARG A 41 -14.465 13.373 -7.616 1.00 0.00 N ATOM 583 NH2 ARG A 41 -15.745 12.983 -5.752 1.00 0.00 N ATOM 0 H ARG A 41 -8.600 13.333 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.079 13.589 -2.256 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.159 11.784 -4.528 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.818 11.907 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.459 14.497 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.157 13.933 -5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.119 14.114 -6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.798 12.405 -6.614 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.561 12.963 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.552 13.510 -8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.310 13.399 -8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.818 12.820 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.587 13.009 -6.327 1.00 0.00 H new ATOM 597 N GLU A 42 -9.371 10.774 -1.976 1.00 0.00 N ATOM 598 CA GLU A 42 -9.232 9.564 -1.174 1.00 0.00 C ATOM 599 C GLU A 42 -7.909 8.863 -1.470 1.00 0.00 C ATOM 600 O GLU A 42 -7.163 9.273 -2.360 1.00 0.00 O ATOM 601 CB GLU A 42 -10.398 8.611 -1.443 1.00 0.00 C ATOM 602 CG GLU A 42 -10.603 8.300 -2.917 1.00 0.00 C ATOM 603 CD GLU A 42 -11.540 9.281 -3.595 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.627 9.544 -3.039 1.00 0.00 O ATOM 605 OE2 GLU A 42 -11.186 9.786 -4.681 1.00 0.00 O ATOM 0 H GLU A 42 -8.652 10.892 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.243 9.853 -0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.226 7.679 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.313 9.047 -1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.639 8.314 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.003 7.291 -3.020 1.00 0.00 H new ATOM 612 N TYR A 43 -7.626 7.806 -0.718 1.00 0.00 N ATOM 613 CA TYR A 43 -6.392 7.049 -0.897 1.00 0.00 C ATOM 614 C TYR A 43 -6.691 5.598 -1.263 1.00 0.00 C ATOM 615 O TYR A 43 -7.475 4.927 -0.592 1.00 0.00 O ATOM 616 CB TYR A 43 -5.547 7.103 0.377 1.00 0.00 C ATOM 617 CG TYR A 43 -5.288 8.507 0.873 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.225 9.254 0.380 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.106 9.087 1.834 1.00 0.00 C ATOM 620 CE1 TYR A 43 -3.984 10.537 0.831 1.00 0.00 C ATOM 621 CE2 TYR A 43 -5.873 10.371 2.290 1.00 0.00 C ATOM 622 CZ TYR A 43 -4.811 11.091 1.786 1.00 0.00 C ATOM 623 OH TYR A 43 -4.575 12.370 2.237 1.00 0.00 O ATOM 0 H TYR A 43 -8.234 7.453 0.021 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.832 7.502 -1.715 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.050 6.537 1.161 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.593 6.611 0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.576 8.824 -0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -6.938 8.525 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.153 11.103 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.519 10.808 3.037 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.249 12.610 2.907 1.00 0.00 H new ATOM 633 N ILE A 44 -6.059 5.122 -2.330 1.00 0.00 N ATOM 634 CA ILE A 44 -6.255 3.751 -2.784 1.00 0.00 C ATOM 635 C ILE A 44 -5.156 2.835 -2.257 1.00 0.00 C ATOM 636 O ILE A 44 -4.007 3.249 -2.107 1.00 0.00 O ATOM 637 CB ILE A 44 -6.285 3.666 -4.322 1.00 0.00 C ATOM 638 CG1 ILE A 44 -7.055 2.423 -4.771 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.869 3.649 -4.879 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.509 2.481 -6.213 1.00 0.00 C ATOM 0 H ILE A 44 -5.407 5.665 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.217 3.423 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.797 4.547 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.424 1.545 -4.632 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.926 2.294 -4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.907 3.589 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.351 4.561 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.334 2.785 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.048 1.567 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.166 3.339 -6.353 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.640 2.579 -6.864 1.00 0.00 H new ATOM 652 N VAL A 45 -5.518 1.586 -1.978 1.00 0.00 N ATOM 653 CA VAL A 45 -4.562 0.609 -1.470 1.00 0.00 C ATOM 654 C VAL A 45 -4.471 -0.601 -2.392 1.00 0.00 C ATOM 655 O VAL A 45 -5.480 -1.233 -2.703 1.00 0.00 O ATOM 656 CB VAL A 45 -4.943 0.135 -0.054 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.817 1.277 0.943 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.352 -0.438 -0.046 1.00 0.00 C ATOM 0 H VAL A 45 -6.466 1.228 -2.095 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.592 1.105 -1.430 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.253 -0.654 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.090 0.924 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.788 1.637 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.482 2.090 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.605 -0.768 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.058 0.329 -0.365 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.404 -1.286 -0.729 1.00 0.00 H new ATOM 668 N GLU A 46 -3.254 -0.919 -2.825 1.00 0.00 N ATOM 669 CA GLU A 46 -3.032 -2.054 -3.712 1.00 0.00 C ATOM 670 C GLU A 46 -2.137 -3.097 -3.047 1.00 0.00 C ATOM 671 O GLU A 46 -1.008 -2.802 -2.655 1.00 0.00 O ATOM 672 CB GLU A 46 -2.402 -1.587 -5.025 1.00 0.00 C ATOM 673 CG GLU A 46 -3.404 -1.011 -6.011 1.00 0.00 C ATOM 674 CD GLU A 46 -4.041 0.272 -5.512 1.00 0.00 C ATOM 675 OE1 GLU A 46 -3.563 0.813 -4.493 1.00 0.00 O ATOM 676 OE2 GLU A 46 -5.017 0.733 -6.139 1.00 0.00 O ATOM 0 H GLU A 46 -2.408 -0.406 -2.576 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.998 -2.512 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.645 -0.833 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.889 -2.428 -5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.905 -0.819 -6.961 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.183 -1.748 -6.204 1.00 0.00 H new ATOM 683 N TYR A 47 -2.651 -4.316 -2.924 1.00 0.00 N ATOM 684 CA TYR A 47 -1.900 -5.402 -2.305 1.00 0.00 C ATOM 685 C TYR A 47 -1.803 -6.601 -3.243 1.00 0.00 C ATOM 686 O TYR A 47 -2.633 -6.775 -4.134 1.00 0.00 O ATOM 687 CB TYR A 47 -2.561 -5.821 -0.990 1.00 0.00 C ATOM 688 CG TYR A 47 -4.001 -6.254 -1.147 1.00 0.00 C ATOM 689 CD1 TYR A 47 -5.000 -5.328 -1.421 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.362 -7.590 -1.023 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.317 -5.719 -1.565 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.677 -7.990 -1.166 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.650 -7.051 -1.436 1.00 0.00 C ATOM 694 OH TYR A 47 -7.961 -7.445 -1.580 1.00 0.00 O ATOM 0 H TYR A 47 -3.584 -4.577 -3.244 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.892 -5.042 -2.099 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.990 -6.639 -0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.515 -4.988 -0.289 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.742 -4.284 -1.523 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.602 -8.328 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.081 -4.986 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.941 -9.032 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.026 -8.416 -1.461 1.00 0.00 H new ATOM 704 N SER A 48 -0.781 -7.425 -3.035 1.00 0.00 N ATOM 705 CA SER A 48 -0.571 -8.607 -3.863 1.00 0.00 C ATOM 706 C SER A 48 0.282 -9.639 -3.131 1.00 0.00 C ATOM 707 O SER A 48 0.941 -9.325 -2.140 1.00 0.00 O ATOM 708 CB SER A 48 0.099 -8.218 -5.182 1.00 0.00 C ATOM 709 OG SER A 48 1.510 -8.273 -5.073 1.00 0.00 O ATOM 0 H SER A 48 -0.085 -7.296 -2.300 1.00 0.00 H new ATOM 0 HA SER A 48 -1.544 -9.050 -4.074 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.234 -8.889 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.208 -7.211 -5.466 1.00 0.00 H new ATOM 0 HG SER A 48 1.904 -7.508 -5.541 1.00 0.00 H new ATOM 715 N ARG A 49 0.263 -10.871 -3.627 1.00 0.00 N ATOM 716 CA ARG A 49 1.033 -11.951 -3.021 1.00 0.00 C ATOM 717 C ARG A 49 2.428 -12.035 -3.634 1.00 0.00 C ATOM 718 O ARG A 49 2.576 -12.111 -4.854 1.00 0.00 O ATOM 719 CB ARG A 49 0.306 -13.285 -3.195 1.00 0.00 C ATOM 720 CG ARG A 49 -0.642 -13.616 -2.054 1.00 0.00 C ATOM 721 CD ARG A 49 -1.454 -14.867 -2.349 1.00 0.00 C ATOM 722 NE ARG A 49 -2.248 -14.730 -3.567 1.00 0.00 N ATOM 723 CZ ARG A 49 -1.777 -14.981 -4.783 1.00 0.00 C ATOM 724 NH1 ARG A 49 -0.523 -15.381 -4.942 1.00 0.00 N ATOM 725 NH2 ARG A 49 -2.561 -14.833 -5.843 1.00 0.00 N ATOM 0 H ARG A 49 -0.277 -11.147 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 49 1.135 -11.738 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.256 -13.263 -4.129 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.044 -14.082 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.072 -13.759 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.315 -12.776 -1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.783 -15.720 -2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.114 -15.077 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.217 -14.425 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.082 -15.497 -4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.164 -15.573 -5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.526 -14.526 -5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.198 -15.026 -6.777 1.00 0.00 H new ATOM 739 N SER A 50 3.446 -12.021 -2.781 1.00 0.00 N ATOM 740 CA SER A 50 4.829 -12.091 -3.239 1.00 0.00 C ATOM 741 C SER A 50 5.008 -13.217 -4.253 1.00 0.00 C ATOM 742 O SER A 50 5.229 -14.370 -3.884 1.00 0.00 O ATOM 743 CB SER A 50 5.771 -12.303 -2.053 1.00 0.00 C ATOM 744 OG SER A 50 7.115 -12.036 -2.415 1.00 0.00 O ATOM 0 H SER A 50 3.340 -11.962 -1.768 1.00 0.00 H new ATOM 0 HA SER A 50 5.074 -11.146 -3.724 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.477 -11.652 -1.230 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.685 -13.329 -1.695 1.00 0.00 H new ATOM 0 HG SER A 50 7.697 -12.177 -1.639 1.00 0.00 H new ATOM 750 N GLY A 51 4.911 -12.873 -5.534 1.00 0.00 N ATOM 751 CA GLY A 51 5.065 -13.865 -6.582 1.00 0.00 C ATOM 752 C GLY A 51 3.774 -14.116 -7.336 1.00 0.00 C ATOM 753 O GLY A 51 3.371 -15.264 -7.524 1.00 0.00 O ATOM 0 H GLY A 51 4.729 -11.925 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.832 -13.534 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.415 -14.800 -6.145 1.00 0.00 H new ATOM 757 N SER A 52 3.124 -13.041 -7.767 1.00 0.00 N ATOM 758 CA SER A 52 1.868 -13.150 -8.500 1.00 0.00 C ATOM 759 C SER A 52 1.573 -11.865 -9.268 1.00 0.00 C ATOM 760 O SER A 52 1.735 -10.763 -8.743 1.00 0.00 O ATOM 761 CB SER A 52 0.717 -13.459 -7.540 1.00 0.00 C ATOM 762 OG SER A 52 -0.297 -14.211 -8.183 1.00 0.00 O ATOM 0 H SER A 52 3.446 -12.084 -7.622 1.00 0.00 H new ATOM 0 HA SER A 52 1.964 -13.967 -9.216 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.095 -14.013 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.297 -12.528 -7.159 1.00 0.00 H new ATOM 0 HG SER A 52 -1.168 -13.793 -8.020 1.00 0.00 H new ATOM 768 N LYS A 53 1.139 -12.014 -10.514 1.00 0.00 N ATOM 769 CA LYS A 53 0.820 -10.868 -11.357 1.00 0.00 C ATOM 770 C LYS A 53 -0.626 -10.426 -11.150 1.00 0.00 C ATOM 771 O LYS A 53 -1.329 -10.104 -12.106 1.00 0.00 O ATOM 772 CB LYS A 53 1.053 -11.210 -12.830 1.00 0.00 C ATOM 773 CG LYS A 53 2.512 -11.455 -13.173 1.00 0.00 C ATOM 774 CD LYS A 53 2.680 -11.887 -14.621 1.00 0.00 C ATOM 775 CE LYS A 53 2.439 -13.379 -14.789 1.00 0.00 C ATOM 776 NZ LYS A 53 0.999 -13.686 -15.012 1.00 0.00 N ATOM 0 H LYS A 53 1.000 -12.919 -10.964 1.00 0.00 H new ATOM 0 HA LYS A 53 1.478 -10.047 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.474 -12.098 -13.084 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.675 -10.396 -13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.086 -10.546 -12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.918 -12.223 -12.514 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.984 -11.332 -15.250 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.685 -11.639 -14.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.024 -13.749 -15.631 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.790 -13.906 -13.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.567 -13.994 -14.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.512 -12.834 -15.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.911 -14.445 -15.718 1.00 0.00 H new ATOM 790 N MET A 54 -1.061 -10.413 -9.894 1.00 0.00 N ATOM 791 CA MET A 54 -2.422 -10.008 -9.562 1.00 0.00 C ATOM 792 C MET A 54 -2.426 -9.004 -8.414 1.00 0.00 C ATOM 793 O MET A 54 -1.961 -9.303 -7.314 1.00 0.00 O ATOM 794 CB MET A 54 -3.264 -11.230 -9.189 1.00 0.00 C ATOM 795 CG MET A 54 -4.490 -10.892 -8.356 1.00 0.00 C ATOM 796 SD MET A 54 -5.758 -12.171 -8.435 1.00 0.00 S ATOM 797 CE MET A 54 -6.987 -11.367 -9.460 1.00 0.00 C ATOM 0 H MET A 54 -0.491 -10.678 -9.090 1.00 0.00 H new ATOM 0 HA MET A 54 -2.857 -9.531 -10.440 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.583 -11.734 -10.102 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.642 -11.934 -8.636 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.190 -10.747 -7.318 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.910 -9.948 -8.702 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.837 -12.035 -9.601 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.322 -10.450 -8.975 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.551 -11.126 -10.429 1.00 0.00 H new ATOM 807 N TRP A 55 -2.952 -7.813 -8.678 1.00 0.00 N ATOM 808 CA TRP A 55 -3.016 -6.765 -7.665 1.00 0.00 C ATOM 809 C TRP A 55 -4.456 -6.327 -7.425 1.00 0.00 C ATOM 810 O TRP A 55 -5.186 -6.017 -8.367 1.00 0.00 O ATOM 811 CB TRP A 55 -2.168 -5.565 -8.091 1.00 0.00 C ATOM 812 CG TRP A 55 -0.694 -5.816 -7.998 1.00 0.00 C ATOM 813 CD1 TRP A 55 0.079 -6.500 -8.893 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.185 -5.387 -6.952 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.385 -6.523 -8.466 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.476 -5.846 -7.278 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.007 -4.658 -5.773 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.580 -5.600 -6.466 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.103 -4.415 -4.969 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.376 -4.884 -5.318 1.00 0.00 C ATOM 0 H TRP A 55 -3.340 -7.549 -9.584 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.620 -7.169 -6.733 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.420 -5.298 -9.117 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.424 -4.709 -7.467 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.283 -6.956 -9.803 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.161 -6.971 -8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.970 -4.291 -5.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.562 -5.961 -6.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 0.977 -3.854 -4.055 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.213 -4.676 -4.668 1.00 0.00 H new ATOM 831 N ALA A 56 -4.859 -6.302 -6.159 1.00 0.00 N ATOM 832 CA ALA A 56 -6.212 -5.899 -5.796 1.00 0.00 C ATOM 833 C ALA A 56 -6.233 -4.474 -5.252 1.00 0.00 C ATOM 834 O ALA A 56 -5.605 -4.178 -4.236 1.00 0.00 O ATOM 835 CB ALA A 56 -6.794 -6.864 -4.774 1.00 0.00 C ATOM 0 H ALA A 56 -4.268 -6.556 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.826 -5.926 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.805 -6.551 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.824 -7.868 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.171 -6.866 -3.879 1.00 0.00 H new ATOM 841 N SER A 57 -6.959 -3.595 -5.935 1.00 0.00 N ATOM 842 CA SER A 57 -7.058 -2.200 -5.523 1.00 0.00 C ATOM 843 C SER A 57 -8.396 -1.929 -4.840 1.00 0.00 C ATOM 844 O SER A 57 -9.419 -2.506 -5.207 1.00 0.00 O ATOM 845 CB SER A 57 -6.893 -1.276 -6.731 1.00 0.00 C ATOM 846 OG SER A 57 -7.896 -1.521 -7.701 1.00 0.00 O ATOM 0 H SER A 57 -7.488 -3.824 -6.777 1.00 0.00 H new ATOM 0 HA SER A 57 -6.258 -2.000 -4.810 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.942 -0.236 -6.407 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.909 -1.425 -7.175 1.00 0.00 H new ATOM 0 HG SER A 57 -7.770 -0.917 -8.462 1.00 0.00 H new ATOM 852 N GLN A 58 -8.377 -1.047 -3.846 1.00 0.00 N ATOM 853 CA GLN A 58 -9.588 -0.699 -3.112 1.00 0.00 C ATOM 854 C GLN A 58 -9.493 0.712 -2.543 1.00 0.00 C ATOM 855 O GLN A 58 -8.403 1.198 -2.239 1.00 0.00 O ATOM 856 CB GLN A 58 -9.830 -1.702 -1.982 1.00 0.00 C ATOM 857 CG GLN A 58 -8.872 -1.543 -0.812 1.00 0.00 C ATOM 858 CD GLN A 58 -9.382 -2.204 0.453 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.527 -1.999 0.857 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.532 -3.005 1.086 1.00 0.00 N ATOM 0 H GLN A 58 -7.538 -0.561 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.427 -0.735 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.853 -1.591 -1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.740 -2.713 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.906 -1.972 -1.077 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.709 -0.482 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.592 -3.146 0.716 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.819 -3.479 1.942 1.00 0.00 H new ATOM 869 N ARG A 59 -10.642 1.367 -2.402 1.00 0.00 N ATOM 870 CA ARG A 59 -10.688 2.724 -1.871 1.00 0.00 C ATOM 871 C ARG A 59 -10.640 2.713 -0.346 1.00 0.00 C ATOM 872 O ARG A 59 -11.165 1.803 0.295 1.00 0.00 O ATOM 873 CB ARG A 59 -11.954 3.438 -2.347 1.00 0.00 C ATOM 874 CG ARG A 59 -12.104 3.468 -3.860 1.00 0.00 C ATOM 875 CD ARG A 59 -10.977 4.251 -4.516 1.00 0.00 C ATOM 876 NE ARG A 59 -11.173 4.390 -5.956 1.00 0.00 N ATOM 877 CZ ARG A 59 -10.547 5.296 -6.699 1.00 0.00 C ATOM 878 NH1 ARG A 59 -9.689 6.138 -6.140 1.00 0.00 N ATOM 879 NH2 ARG A 59 -10.779 5.360 -8.004 1.00 0.00 N ATOM 0 H ARG A 59 -11.553 0.979 -2.648 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.815 3.262 -2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.824 2.945 -1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.947 4.461 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.113 2.449 -4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.062 3.917 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.911 5.240 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.028 3.749 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.826 3.757 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.508 6.091 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.210 6.833 -6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.438 4.713 -8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.298 6.056 -8.574 1.00 0.00 H new ATOM 893 N ALA A 60 -10.006 3.730 0.228 1.00 0.00 N ATOM 894 CA ALA A 60 -9.891 3.839 1.677 1.00 0.00 C ATOM 895 C ALA A 60 -10.292 5.230 2.157 1.00 0.00 C ATOM 896 O ALA A 60 -9.806 6.237 1.645 1.00 0.00 O ATOM 897 CB ALA A 60 -8.472 3.514 2.120 1.00 0.00 C ATOM 0 H ALA A 60 -9.564 4.490 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.574 3.118 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.401 3.599 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.221 2.497 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.777 4.212 1.655 1.00 0.00 H new ATOM 903 N ALA A 61 -11.182 5.277 3.143 1.00 0.00 N ATOM 904 CA ALA A 61 -11.646 6.544 3.693 1.00 0.00 C ATOM 905 C ALA A 61 -10.573 7.192 4.561 1.00 0.00 C ATOM 906 O ALA A 61 -10.167 8.329 4.318 1.00 0.00 O ATOM 907 CB ALA A 61 -12.922 6.335 4.495 1.00 0.00 C ATOM 0 H ALA A 61 -11.596 4.452 3.577 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.858 7.217 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.258 7.290 4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.696 5.924 3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.728 5.642 5.313 1.00 0.00 H new ATOM 913 N SER A 62 -10.118 6.463 5.575 1.00 0.00 N ATOM 914 CA SER A 62 -9.095 6.969 6.482 1.00 0.00 C ATOM 915 C SER A 62 -7.698 6.653 5.956 1.00 0.00 C ATOM 916 O SER A 62 -7.542 6.126 4.855 1.00 0.00 O ATOM 917 CB SER A 62 -9.275 6.365 7.876 1.00 0.00 C ATOM 918 OG SER A 62 -8.230 6.766 8.745 1.00 0.00 O ATOM 0 H SER A 62 -10.442 5.520 5.789 1.00 0.00 H new ATOM 0 HA SER A 62 -9.205 8.052 6.546 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.235 6.675 8.289 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.296 5.278 7.805 1.00 0.00 H new ATOM 0 HG SER A 62 -8.369 6.368 9.630 1.00 0.00 H new ATOM 924 N ASN A 63 -6.685 6.980 6.752 1.00 0.00 N ATOM 925 CA ASN A 63 -5.300 6.732 6.367 1.00 0.00 C ATOM 926 C ASN A 63 -4.898 5.294 6.679 1.00 0.00 C ATOM 927 O ASN A 63 -3.828 5.044 7.235 1.00 0.00 O ATOM 928 CB ASN A 63 -4.366 7.703 7.092 1.00 0.00 C ATOM 929 CG ASN A 63 -4.275 9.047 6.395 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.281 9.595 5.945 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.064 9.585 6.303 1.00 0.00 N ATOM 0 H ASN A 63 -6.797 7.417 7.667 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.214 6.890 5.292 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.720 7.849 8.113 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.371 7.264 7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.941 10.488 5.845 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.258 9.095 6.690 1.00 0.00 H new ATOM 938 N PHE A 64 -5.762 4.352 6.316 1.00 0.00 N ATOM 939 CA PHE A 64 -5.497 2.938 6.557 1.00 0.00 C ATOM 940 C PHE A 64 -6.548 2.065 5.877 1.00 0.00 C ATOM 941 O PHE A 64 -7.550 2.564 5.363 1.00 0.00 O ATOM 942 CB PHE A 64 -5.474 2.651 8.059 1.00 0.00 C ATOM 943 CG PHE A 64 -6.828 2.344 8.632 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.948 3.040 8.207 1.00 0.00 C ATOM 945 CD2 PHE A 64 -6.981 1.361 9.597 1.00 0.00 C ATOM 946 CE1 PHE A 64 -9.196 2.760 8.732 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.226 1.077 10.125 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.334 1.778 9.693 1.00 0.00 C ATOM 0 H PHE A 64 -6.651 4.542 5.854 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.522 2.699 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.808 1.809 8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.055 3.513 8.579 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.845 3.810 7.457 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.117 0.811 9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.062 3.308 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.332 0.307 10.875 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.307 1.559 10.106 1.00 0.00 H new ATOM 958 N THR A 65 -6.312 0.756 5.878 1.00 0.00 N ATOM 959 CA THR A 65 -7.235 -0.187 5.260 1.00 0.00 C ATOM 960 C THR A 65 -7.046 -1.591 5.824 1.00 0.00 C ATOM 961 O THR A 65 -5.983 -1.919 6.350 1.00 0.00 O ATOM 962 CB THR A 65 -7.054 -0.232 3.731 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.116 -0.983 3.133 1.00 0.00 O ATOM 964 CG2 THR A 65 -5.716 -0.855 3.363 1.00 0.00 C ATOM 0 H THR A 65 -5.489 0.326 6.300 1.00 0.00 H new ATOM 0 HA THR A 65 -8.242 0.162 5.489 1.00 0.00 H new ATOM 0 HB THR A 65 -7.077 0.791 3.355 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.508 -0.467 2.398 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.611 -0.876 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.908 -0.264 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.669 -1.872 3.752 1.00 0.00 H new ATOM 972 N GLU A 66 -8.083 -2.414 5.710 1.00 0.00 N ATOM 973 CA GLU A 66 -8.029 -3.783 6.210 1.00 0.00 C ATOM 974 C GLU A 66 -8.184 -4.785 5.069 1.00 0.00 C ATOM 975 O GLU A 66 -9.297 -5.065 4.622 1.00 0.00 O ATOM 976 CB GLU A 66 -9.122 -4.011 7.256 1.00 0.00 C ATOM 977 CG GLU A 66 -8.679 -3.702 8.676 1.00 0.00 C ATOM 978 CD GLU A 66 -9.821 -3.227 9.553 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.703 -2.507 9.039 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.833 -3.574 10.753 1.00 0.00 O ATOM 0 H GLU A 66 -8.970 -2.157 5.276 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.055 -3.935 6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.984 -3.390 7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.451 -5.049 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.235 -4.595 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.902 -2.938 8.652 1.00 0.00 H new ATOM 987 N ILE A 67 -7.061 -5.321 4.604 1.00 0.00 N ATOM 988 CA ILE A 67 -7.072 -6.292 3.516 1.00 0.00 C ATOM 989 C ILE A 67 -7.431 -7.684 4.025 1.00 0.00 C ATOM 990 O ILE A 67 -6.584 -8.398 4.562 1.00 0.00 O ATOM 991 CB ILE A 67 -5.709 -6.354 2.803 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.362 -4.991 2.200 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.723 -7.428 1.726 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.879 -4.789 1.979 1.00 0.00 C ATOM 0 H ILE A 67 -6.132 -5.100 4.963 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.830 -5.961 2.806 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.944 -6.612 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.881 -4.881 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.733 -4.206 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.752 -7.460 1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.930 -8.397 2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.497 -7.198 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.706 -3.802 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.355 -4.867 2.932 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.506 -5.552 1.296 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.692 -8.064 3.852 1.00 0.00 N ATOM 1007 CA LYS A 68 -9.165 -9.372 4.291 1.00 0.00 C ATOM 1008 C LYS A 68 -9.089 -10.387 3.154 1.00 0.00 C ATOM 1009 O LYS A 68 -8.728 -10.046 2.029 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.603 -9.272 4.804 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.857 -8.047 5.666 1.00 0.00 C ATOM 1012 CD LYS A 68 -12.100 -8.217 6.523 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.995 -7.428 7.820 1.00 0.00 C ATOM 1014 NZ LYS A 68 -13.335 -7.083 8.369 1.00 0.00 N ATOM 0 H LYS A 68 -9.406 -7.484 3.410 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.520 -9.711 5.102 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.283 -9.254 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.837 -10.167 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.994 -7.866 6.307 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.970 -7.170 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.976 -7.887 5.965 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.246 -9.273 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.440 -8.010 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.428 -6.514 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.221 -6.546 9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.855 -6.506 7.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.867 -7.956 8.561 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.434 -11.634 3.457 1.00 0.00 N ATOM 1029 CA ASN A 69 -9.406 -12.698 2.460 1.00 0.00 C ATOM 1030 C ASN A 69 -7.976 -12.983 2.008 1.00 0.00 C ATOM 1031 O ASN A 69 -7.697 -13.069 0.812 1.00 0.00 O ATOM 1032 CB ASN A 69 -10.268 -12.319 1.254 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.515 -11.554 1.653 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -12.091 -11.793 2.715 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.939 -10.628 0.801 1.00 0.00 N ATOM 0 H ASN A 69 -9.736 -11.933 4.384 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.810 -13.601 2.918 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.679 -11.714 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.556 -13.223 0.718 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.773 -10.081 1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.431 -10.463 -0.068 1.00 0.00 H new ATOM 1042 N LEU A 70 -7.075 -13.128 2.973 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.673 -13.403 2.676 1.00 0.00 C ATOM 1044 C LEU A 70 -5.257 -14.763 3.227 1.00 0.00 C ATOM 1045 O LEU A 70 -5.979 -15.372 4.017 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.782 -12.307 3.262 1.00 0.00 C ATOM 1047 CG LEU A 70 -5.120 -10.874 2.849 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.219 -9.884 3.571 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.996 -10.710 1.342 1.00 0.00 C ATOM 0 H LEU A 70 -7.290 -13.060 3.968 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.553 -13.418 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.829 -12.371 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.751 -12.513 2.975 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.152 -10.668 3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.474 -8.870 3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.358 -9.984 4.648 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.178 -10.088 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.240 -9.684 1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.975 -10.935 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.684 -11.393 0.844 1.00 0.00 H new ATOM 1061 N LEU A 71 -4.087 -15.233 2.807 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.573 -16.520 3.261 1.00 0.00 C ATOM 1063 C LEU A 71 -2.590 -16.338 4.414 1.00 0.00 C ATOM 1064 O LEU A 71 -1.695 -15.495 4.353 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.890 -17.254 2.105 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.712 -17.401 0.824 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.815 -17.770 -0.347 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.806 -18.442 1.009 1.00 0.00 C ATOM 0 H LEU A 71 -3.477 -14.742 2.153 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.414 -17.115 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.967 -16.728 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.609 -18.249 2.449 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.183 -16.443 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.418 -17.870 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.069 -16.989 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.315 -18.716 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.381 -18.533 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.355 -19.404 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.467 -18.135 1.820 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.763 -17.136 5.463 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.890 -17.066 6.628 1.00 0.00 C ATOM 1082 C VAL A 72 -0.472 -17.506 6.281 1.00 0.00 C ATOM 1083 O VAL A 72 -0.274 -18.407 5.467 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.420 -17.940 7.780 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.810 -17.487 8.199 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.428 -19.407 7.375 1.00 0.00 C ATOM 0 H VAL A 72 -3.500 -17.838 5.530 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.875 -16.025 6.949 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.754 -17.826 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.168 -18.116 9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.770 -16.450 8.532 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.490 -17.569 7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.805 -20.010 8.201 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.070 -19.541 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.414 -19.722 7.129 1.00 0.00 H new ATOM 1096 N ASN A 73 0.511 -16.864 6.904 1.00 0.00 N ATOM 1097 CA ASN A 73 1.911 -17.190 6.660 1.00 0.00 C ATOM 1098 C ASN A 73 2.275 -16.967 5.195 1.00 0.00 C ATOM 1099 O ASN A 73 2.912 -17.813 4.566 1.00 0.00 O ATOM 1100 CB ASN A 73 2.195 -18.641 7.053 1.00 0.00 C ATOM 1101 CG ASN A 73 2.620 -18.776 8.502 1.00 0.00 C ATOM 1102 OD1 ASN A 73 3.810 -18.748 8.816 1.00 0.00 O ATOM 1103 ND2 ASN A 73 1.647 -18.923 9.393 1.00 0.00 N ATOM 0 H ASN A 73 0.364 -16.115 7.581 1.00 0.00 H new ATOM 0 HA ASN A 73 2.524 -16.529 7.272 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.302 -19.242 6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 73 2.978 -19.042 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.872 -19.018 10.383 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.674 -18.941 9.087 1.00 0.00 H new ATOM 1110 N THR A 74 1.865 -15.823 4.657 1.00 0.00 N ATOM 1111 CA THR A 74 2.146 -15.489 3.266 1.00 0.00 C ATOM 1112 C THR A 74 2.550 -14.025 3.124 1.00 0.00 C ATOM 1113 O THR A 74 1.916 -13.137 3.695 1.00 0.00 O ATOM 1114 CB THR A 74 0.928 -15.764 2.365 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.705 -17.174 2.260 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.137 -15.173 0.978 1.00 0.00 C ATOM 0 H THR A 74 1.337 -15.112 5.163 1.00 0.00 H new ATOM 0 HA THR A 74 2.973 -16.124 2.949 1.00 0.00 H new ATOM 0 HB THR A 74 0.055 -15.292 2.816 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.161 -17.361 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.264 -15.380 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.277 -14.095 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.020 -15.620 0.521 1.00 0.00 H new ATOM 1124 N LEU A 75 3.607 -13.780 2.358 1.00 0.00 N ATOM 1125 CA LEU A 75 4.095 -12.423 2.139 1.00 0.00 C ATOM 1126 C LEU A 75 3.142 -11.640 1.242 1.00 0.00 C ATOM 1127 O LEU A 75 2.635 -12.164 0.250 1.00 0.00 O ATOM 1128 CB LEU A 75 5.491 -12.457 1.513 1.00 0.00 C ATOM 1129 CG LEU A 75 6.310 -11.171 1.630 1.00 0.00 C ATOM 1130 CD1 LEU A 75 5.595 -10.018 0.942 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.577 -10.840 3.091 1.00 0.00 C ATOM 0 H LEU A 75 4.143 -14.503 1.878 1.00 0.00 H new ATOM 0 HA LEU A 75 4.149 -11.922 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.055 -13.267 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.388 -12.704 0.456 1.00 0.00 H new ATOM 0 HG LEU A 75 7.267 -11.326 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.193 -9.111 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.456 -10.254 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.623 -9.862 1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.161 -9.922 3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.629 -10.705 3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.132 -11.656 3.553 1.00 0.00 H new ATOM 1143 N TYR A 76 2.904 -10.382 1.597 1.00 0.00 N ATOM 1144 CA TYR A 76 2.012 -9.526 0.824 1.00 0.00 C ATOM 1145 C TYR A 76 2.606 -8.130 0.657 1.00 0.00 C ATOM 1146 O TYR A 76 3.045 -7.508 1.624 1.00 0.00 O ATOM 1147 CB TYR A 76 0.645 -9.432 1.505 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.308 -10.534 1.102 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.145 -11.829 1.578 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -1.374 -10.280 0.248 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.013 -12.840 1.212 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -2.248 -11.283 -0.122 1.00 0.00 C ATOM 1153 CZ TYR A 76 -2.063 -12.562 0.362 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.932 -13.565 -0.003 1.00 0.00 O ATOM 0 H TYR A 76 3.316 -9.933 2.415 1.00 0.00 H new ATOM 0 HA TYR A 76 1.889 -9.970 -0.164 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.784 -9.460 2.586 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.195 -8.468 1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.675 -12.049 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -1.522 -9.280 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.870 -13.842 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -3.072 -11.068 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.615 -13.203 -0.605 1.00 0.00 H new ATOM 1164 N THR A 77 2.615 -7.643 -0.580 1.00 0.00 N ATOM 1165 CA THR A 77 3.154 -6.322 -0.878 1.00 0.00 C ATOM 1166 C THR A 77 2.045 -5.280 -0.953 1.00 0.00 C ATOM 1167 O THR A 77 1.278 -5.243 -1.916 1.00 0.00 O ATOM 1168 CB THR A 77 3.937 -6.320 -2.204 1.00 0.00 C ATOM 1169 OG1 THR A 77 4.902 -7.378 -2.205 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.637 -4.987 -2.417 1.00 0.00 C ATOM 0 H THR A 77 2.255 -8.144 -1.392 1.00 0.00 H new ATOM 0 HA THR A 77 3.833 -6.067 -0.064 1.00 0.00 H new ATOM 0 HB THR A 77 3.229 -6.474 -3.019 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.394 -7.371 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.183 -5.010 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.896 -4.188 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.334 -4.807 -1.598 1.00 0.00 H new ATOM 1178 N VAL A 78 1.965 -4.431 0.067 1.00 0.00 N ATOM 1179 CA VAL A 78 0.950 -3.386 0.115 1.00 0.00 C ATOM 1180 C VAL A 78 1.526 -2.040 -0.311 1.00 0.00 C ATOM 1181 O VAL A 78 2.711 -1.770 -0.113 1.00 0.00 O ATOM 1182 CB VAL A 78 0.349 -3.251 1.527 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -0.805 -2.260 1.524 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.104 -4.608 2.044 1.00 0.00 C ATOM 0 H VAL A 78 2.592 -4.447 0.872 1.00 0.00 H new ATOM 0 HA VAL A 78 0.163 -3.678 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 78 1.120 -2.871 2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.217 -2.178 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.446 -1.284 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.581 -2.607 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.526 -4.495 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.860 -5.018 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.749 -5.285 2.086 1.00 0.00 H new ATOM 1194 N ARG A 79 0.680 -1.200 -0.897 1.00 0.00 N ATOM 1195 CA ARG A 79 1.106 0.119 -1.352 1.00 0.00 C ATOM 1196 C ARG A 79 -0.079 1.078 -1.423 1.00 0.00 C ATOM 1197 O ARG A 79 -1.141 0.733 -1.940 1.00 0.00 O ATOM 1198 CB ARG A 79 1.775 0.017 -2.724 1.00 0.00 C ATOM 1199 CG ARG A 79 0.844 -0.472 -3.821 1.00 0.00 C ATOM 1200 CD ARG A 79 1.553 -0.540 -5.165 1.00 0.00 C ATOM 1201 NE ARG A 79 2.570 -1.588 -5.194 1.00 0.00 N ATOM 1202 CZ ARG A 79 3.511 -1.674 -6.128 1.00 0.00 C ATOM 1203 NH1 ARG A 79 3.564 -0.778 -7.104 1.00 0.00 N ATOM 1204 NH2 ARG A 79 4.401 -2.657 -6.086 1.00 0.00 N ATOM 0 H ARG A 79 -0.304 -1.408 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 79 1.825 0.509 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.167 0.996 -3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.627 -0.659 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.460 -1.458 -3.561 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.015 0.195 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.821 -0.723 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.018 0.422 -5.379 1.00 0.00 H new ATOM 0 HE ARG A 79 2.557 -2.293 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.881 -0.021 -7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.287 -0.846 -7.820 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.363 -3.348 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.123 -2.722 -6.803 1.00 0.00 H new ATOM 1218 N VAL A 80 0.111 2.284 -0.897 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.940 3.294 -0.901 1.00 0.00 C ATOM 1220 C VAL A 80 -0.625 4.413 -1.886 1.00 0.00 C ATOM 1221 O VAL A 80 0.540 4.714 -2.147 1.00 0.00 O ATOM 1222 CB VAL A 80 -1.141 3.900 0.501 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.331 4.848 0.508 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.319 2.800 1.536 1.00 0.00 C ATOM 0 H VAL A 80 0.983 2.585 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.858 2.793 -1.208 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.250 4.472 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.457 5.266 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.158 5.655 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.232 4.303 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.460 3.246 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.192 2.199 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.433 2.165 1.549 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.670 5.027 -2.431 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.504 6.115 -3.387 1.00 0.00 C ATOM 1236 C ALA A 81 -2.573 7.186 -3.190 1.00 0.00 C ATOM 1237 O ALA A 81 -3.750 6.876 -3.012 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.547 5.579 -4.810 1.00 0.00 C ATOM 0 H ALA A 81 -2.641 4.789 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.531 6.573 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.422 6.403 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.743 4.856 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.507 5.094 -4.987 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.153 8.447 -3.222 1.00 0.00 N ATOM 1245 CA ALA A 82 -3.075 9.563 -3.049 1.00 0.00 C ATOM 1246 C ALA A 82 -3.791 9.891 -4.354 1.00 0.00 C ATOM 1247 O ALA A 82 -3.156 10.089 -5.390 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.331 10.785 -2.531 1.00 0.00 C ATOM 0 H ALA A 82 -1.181 8.721 -3.366 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.827 9.271 -2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.031 11.611 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.871 10.551 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.557 11.069 -3.244 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.118 9.946 -4.298 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.922 10.250 -5.476 1.00 0.00 C ATOM 1256 C VAL A 83 -6.324 11.720 -5.502 1.00 0.00 C ATOM 1257 O VAL A 83 -6.701 12.291 -4.478 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.192 9.381 -5.529 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.276 10.067 -6.346 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.873 8.007 -6.099 1.00 0.00 C ATOM 0 H VAL A 83 -5.659 9.784 -3.449 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.304 10.030 -6.346 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.565 9.251 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.165 9.437 -6.372 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.523 11.026 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.917 10.230 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.782 7.406 -6.129 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.475 8.115 -7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.133 7.514 -5.468 1.00 0.00 H new ATOM 1270 N THR A 84 -6.242 12.330 -6.680 1.00 0.00 N ATOM 1271 CA THR A 84 -6.597 13.735 -6.840 1.00 0.00 C ATOM 1272 C THR A 84 -7.586 13.925 -7.984 1.00 0.00 C ATOM 1273 O THR A 84 -7.872 12.990 -8.732 1.00 0.00 O ATOM 1274 CB THR A 84 -5.351 14.602 -7.104 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.633 14.097 -8.235 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.440 14.625 -5.886 1.00 0.00 C ATOM 0 H THR A 84 -5.933 11.873 -7.538 1.00 0.00 H new ATOM 0 HA THR A 84 -7.061 14.053 -5.906 1.00 0.00 H new ATOM 0 HB THR A 84 -5.681 15.620 -7.310 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.843 14.655 -8.397 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.567 15.243 -6.096 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.981 15.038 -5.035 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.118 13.610 -5.653 1.00 0.00 H new ATOM 1284 N SER A 85 -8.105 15.142 -8.116 1.00 0.00 N ATOM 1285 CA SER A 85 -9.065 15.453 -9.168 1.00 0.00 C ATOM 1286 C SER A 85 -8.740 14.685 -10.445 1.00 0.00 C ATOM 1287 O SER A 85 -9.621 14.092 -11.067 1.00 0.00 O ATOM 1288 CB SER A 85 -9.073 16.957 -9.451 1.00 0.00 C ATOM 1289 OG SER A 85 -7.847 17.374 -10.027 1.00 0.00 O ATOM 0 H SER A 85 -7.877 15.928 -7.508 1.00 0.00 H new ATOM 0 HA SER A 85 -10.054 15.150 -8.825 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.896 17.199 -10.124 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.248 17.504 -8.524 1.00 0.00 H new ATOM 0 HG SER A 85 -7.878 18.338 -10.200 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.468 14.702 -10.830 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.026 14.008 -12.034 1.00 0.00 C ATOM 1297 C ARG A 86 -7.149 12.496 -11.867 1.00 0.00 C ATOM 1298 O ARG A 86 -7.896 11.840 -12.591 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.578 14.380 -12.359 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.388 15.848 -12.703 1.00 0.00 C ATOM 1301 CD ARG A 86 -5.975 16.181 -14.066 1.00 0.00 C ATOM 1302 NE ARG A 86 -6.062 17.622 -14.288 1.00 0.00 N ATOM 1303 CZ ARG A 86 -6.668 18.169 -15.335 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -7.238 17.399 -16.252 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -6.706 19.489 -15.467 1.00 0.00 N ATOM 0 H ARG A 86 -6.726 15.188 -10.326 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.668 14.318 -12.858 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.948 14.131 -11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.235 13.772 -13.196 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.862 16.466 -11.941 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.325 16.090 -12.694 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.360 15.731 -14.845 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.969 15.741 -14.150 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.634 18.242 -13.601 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.211 16.384 -16.154 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.703 17.822 -17.055 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.269 20.085 -14.764 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.172 19.908 -16.272 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.409 11.950 -10.907 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.449 10.520 -10.662 1.00 0.00 C ATOM 1321 C GLY A 87 -5.377 10.068 -9.691 1.00 0.00 C ATOM 1322 O GLY A 87 -4.830 10.875 -8.939 1.00 0.00 O ATOM 0 H GLY A 87 -5.783 12.472 -10.295 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.429 10.249 -10.269 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.327 9.989 -11.606 1.00 0.00 H new ATOM 1326 N ILE A 88 -5.076 8.773 -9.705 1.00 0.00 N ATOM 1327 CA ILE A 88 -4.063 8.215 -8.818 1.00 0.00 C ATOM 1328 C ILE A 88 -2.673 8.723 -9.183 1.00 0.00 C ATOM 1329 O ILE A 88 -2.323 8.814 -10.359 1.00 0.00 O ATOM 1330 CB ILE A 88 -4.063 6.676 -8.861 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.457 6.135 -8.538 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -3.034 6.119 -7.889 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.621 4.664 -8.851 1.00 0.00 C ATOM 0 H ILE A 88 -5.519 8.091 -10.321 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.313 8.542 -7.809 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.794 6.355 -9.867 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.666 6.299 -7.481 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.198 6.703 -9.101 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.046 5.030 -7.931 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.043 6.482 -8.161 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.275 6.446 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.633 4.349 -8.597 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.444 4.496 -9.913 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.904 4.086 -8.268 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.882 9.052 -8.166 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.537 9.545 -8.401 1.00 0.00 C ATOM 1347 C GLY A 89 0.518 8.481 -8.175 1.00 0.00 C ATOM 1348 O GLY A 89 0.264 7.294 -8.372 1.00 0.00 O ATOM 0 H GLY A 89 -2.149 8.986 -7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.462 9.915 -9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.343 10.391 -7.741 1.00 0.00 H new ATOM 1352 N ASN A 90 1.707 8.907 -7.762 1.00 0.00 N ATOM 1353 CA ASN A 90 2.806 7.982 -7.512 1.00 0.00 C ATOM 1354 C ASN A 90 2.428 6.965 -6.438 1.00 0.00 C ATOM 1355 O ASN A 90 1.404 7.106 -5.769 1.00 0.00 O ATOM 1356 CB ASN A 90 4.059 8.749 -7.085 1.00 0.00 C ATOM 1357 CG ASN A 90 4.625 9.601 -8.204 1.00 0.00 C ATOM 1358 OD1 ASN A 90 5.555 9.193 -8.900 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.065 10.791 -8.382 1.00 0.00 N ATOM 0 H ASN A 90 1.934 9.887 -7.593 1.00 0.00 H new ATOM 0 HA ASN A 90 3.014 7.446 -8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.819 9.385 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.818 8.042 -6.751 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.403 11.409 -9.120 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.296 11.088 -7.781 1.00 0.00 H new ATOM 1366 N TRP A 91 3.261 5.943 -6.280 1.00 0.00 N ATOM 1367 CA TRP A 91 3.014 4.903 -5.287 1.00 0.00 C ATOM 1368 C TRP A 91 3.988 5.023 -4.120 1.00 0.00 C ATOM 1369 O TRP A 91 5.184 5.241 -4.318 1.00 0.00 O ATOM 1370 CB TRP A 91 3.133 3.520 -5.928 1.00 0.00 C ATOM 1371 CG TRP A 91 2.048 3.228 -6.919 1.00 0.00 C ATOM 1372 CD1 TRP A 91 2.161 3.221 -8.280 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.684 2.904 -6.626 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.950 2.912 -8.851 1.00 0.00 N ATOM 1375 CE2 TRP A 91 0.028 2.712 -7.858 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.045 2.755 -5.444 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.322 2.381 -7.937 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.385 2.426 -5.525 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.012 2.241 -6.764 1.00 0.00 C ATOM 0 H TRP A 91 4.113 5.812 -6.826 1.00 0.00 H new ATOM 0 HA TRP A 91 2.001 5.032 -4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.100 3.440 -6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.113 2.762 -5.145 1.00 0.00 H new ATOM 0 HD1 TRP A 91 3.069 3.428 -8.827 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.767 2.843 -9.852 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.430 2.894 -4.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -1.808 2.240 -8.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -1.959 2.310 -4.617 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.060 1.983 -6.794 1.00 0.00 H new ATOM 1390 N SER A 92 3.470 4.878 -2.905 1.00 0.00 N ATOM 1391 CA SER A 92 4.295 4.973 -1.706 1.00 0.00 C ATOM 1392 C SER A 92 5.304 3.830 -1.648 1.00 0.00 C ATOM 1393 O SER A 92 5.181 2.843 -2.373 1.00 0.00 O ATOM 1394 CB SER A 92 3.415 4.956 -0.454 1.00 0.00 C ATOM 1395 OG SER A 92 3.037 3.633 -0.115 1.00 0.00 O ATOM 0 H SER A 92 2.483 4.694 -2.724 1.00 0.00 H new ATOM 0 HA SER A 92 4.842 5.915 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.953 5.409 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.524 5.560 -0.624 1.00 0.00 H new ATOM 0 HG SER A 92 2.477 3.649 0.689 1.00 0.00 H new ATOM 1401 N ASP A 93 6.300 3.972 -0.781 1.00 0.00 N ATOM 1402 CA ASP A 93 7.331 2.953 -0.627 1.00 0.00 C ATOM 1403 C ASP A 93 6.714 1.611 -0.244 1.00 0.00 C ATOM 1404 O ASP A 93 6.630 1.269 0.935 1.00 0.00 O ATOM 1405 CB ASP A 93 8.348 3.381 0.431 1.00 0.00 C ATOM 1406 CG ASP A 93 8.874 4.783 0.194 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.761 4.946 -0.670 1.00 0.00 O ATOM 1408 OD2 ASP A 93 8.399 5.717 0.873 1.00 0.00 O ATOM 0 H ASP A 93 6.415 4.783 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 93 7.841 2.839 -1.584 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.885 3.331 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.182 2.679 0.434 1.00 0.00 H new ATOM 1413 N SER A 94 6.283 0.855 -1.249 1.00 0.00 N ATOM 1414 CA SER A 94 5.670 -0.448 -1.017 1.00 0.00 C ATOM 1415 C SER A 94 6.466 -1.248 0.009 1.00 0.00 C ATOM 1416 O SER A 94 7.697 -1.210 0.025 1.00 0.00 O ATOM 1417 CB SER A 94 5.573 -1.230 -2.328 1.00 0.00 C ATOM 1418 OG SER A 94 6.843 -1.346 -2.948 1.00 0.00 O ATOM 0 H SER A 94 6.347 1.122 -2.231 1.00 0.00 H new ATOM 0 HA SER A 94 4.666 -0.285 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.168 -2.223 -2.134 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.879 -0.729 -3.003 1.00 0.00 H new ATOM 0 HG SER A 94 6.754 -1.851 -3.783 1.00 0.00 H new ATOM 1424 N LYS A 95 5.755 -1.974 0.865 1.00 0.00 N ATOM 1425 CA LYS A 95 6.392 -2.786 1.894 1.00 0.00 C ATOM 1426 C LYS A 95 5.855 -4.214 1.872 1.00 0.00 C ATOM 1427 O LYS A 95 4.735 -4.458 1.424 1.00 0.00 O ATOM 1428 CB LYS A 95 6.165 -2.166 3.275 1.00 0.00 C ATOM 1429 CG LYS A 95 6.818 -0.805 3.446 1.00 0.00 C ATOM 1430 CD LYS A 95 8.312 -0.931 3.691 1.00 0.00 C ATOM 1431 CE LYS A 95 9.057 0.318 3.245 1.00 0.00 C ATOM 1432 NZ LYS A 95 9.471 0.237 1.817 1.00 0.00 N ATOM 0 H LYS A 95 4.736 -2.016 0.866 1.00 0.00 H new ATOM 0 HA LYS A 95 7.462 -2.816 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.093 -2.070 3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.552 -2.843 4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.644 -0.202 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.354 -0.280 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.494 -1.106 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.698 -1.797 3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.421 1.191 3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.938 0.458 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.975 1.107 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.099 -0.581 1.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.629 0.129 1.217 1.00 0.00 H new ATOM 1446 N SER A 96 6.660 -5.152 2.359 1.00 0.00 N ATOM 1447 CA SER A 96 6.266 -6.556 2.392 1.00 0.00 C ATOM 1448 C SER A 96 6.056 -7.027 3.828 1.00 0.00 C ATOM 1449 O SER A 96 6.899 -6.801 4.697 1.00 0.00 O ATOM 1450 CB SER A 96 7.327 -7.421 1.710 1.00 0.00 C ATOM 1451 OG SER A 96 8.633 -6.969 2.023 1.00 0.00 O ATOM 0 H SER A 96 7.589 -4.966 2.736 1.00 0.00 H new ATOM 0 HA SER A 96 5.324 -6.657 1.853 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.213 -8.458 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.180 -7.398 0.630 1.00 0.00 H new ATOM 0 HG SER A 96 9.293 -7.540 1.576 1.00 0.00 H new ATOM 1457 N ILE A 97 4.925 -7.682 4.069 1.00 0.00 N ATOM 1458 CA ILE A 97 4.604 -8.186 5.399 1.00 0.00 C ATOM 1459 C ILE A 97 4.096 -9.622 5.334 1.00 0.00 C ATOM 1460 O ILE A 97 3.223 -9.949 4.530 1.00 0.00 O ATOM 1461 CB ILE A 97 3.544 -7.310 6.092 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.230 -7.858 7.485 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.281 -7.238 5.247 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.208 -7.038 8.241 1.00 0.00 C ATOM 0 H ILE A 97 4.216 -7.876 3.361 1.00 0.00 H new ATOM 0 HA ILE A 97 5.526 -8.155 5.980 1.00 0.00 H new ATOM 0 HB ILE A 97 3.942 -6.301 6.201 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.865 -8.881 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.151 -7.901 8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.541 -6.615 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.518 -6.806 4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.877 -8.241 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.035 -7.485 9.220 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.579 -6.021 8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.273 -7.016 7.681 1.00 0.00 H new ATOM 1476 N THR A 98 4.649 -10.479 6.188 1.00 0.00 N ATOM 1477 CA THR A 98 4.252 -11.881 6.229 1.00 0.00 C ATOM 1478 C THR A 98 3.152 -12.111 7.259 1.00 0.00 C ATOM 1479 O THR A 98 3.355 -11.906 8.456 1.00 0.00 O ATOM 1480 CB THR A 98 5.448 -12.793 6.559 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.557 -12.475 5.710 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.075 -14.258 6.387 1.00 0.00 C ATOM 0 H THR A 98 5.373 -10.226 6.860 1.00 0.00 H new ATOM 0 HA THR A 98 3.875 -12.133 5.238 1.00 0.00 H new ATOM 0 HB THR A 98 5.728 -12.625 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.314 -13.058 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.936 -14.883 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.251 -14.505 7.056 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.771 -14.437 5.356 1.00 0.00 H new ATOM 1490 N THR A 99 1.986 -12.539 6.786 1.00 0.00 N ATOM 1491 CA THR A 99 0.853 -12.796 7.666 1.00 0.00 C ATOM 1492 C THR A 99 1.160 -13.927 8.641 1.00 0.00 C ATOM 1493 O THR A 99 2.153 -14.640 8.487 1.00 0.00 O ATOM 1494 CB THR A 99 -0.412 -13.156 6.863 1.00 0.00 C ATOM 1495 OG1 THR A 99 -0.101 -14.149 5.879 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.989 -11.924 6.183 1.00 0.00 C ATOM 0 H THR A 99 1.802 -12.715 5.798 1.00 0.00 H new ATOM 0 HA THR A 99 0.672 -11.877 8.224 1.00 0.00 H new ATOM 0 HB THR A 99 -1.156 -13.551 7.555 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.923 -14.609 5.608 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.881 -12.202 5.622 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.251 -11.182 6.937 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.249 -11.504 5.502 1.00 0.00 H new ATOM 1504 N ILE A 100 0.304 -14.086 9.644 1.00 0.00 N ATOM 1505 CA ILE A 100 0.484 -15.132 10.644 1.00 0.00 C ATOM 1506 C ILE A 100 -0.788 -15.956 10.812 1.00 0.00 C ATOM 1507 O ILE A 100 -1.894 -15.465 10.588 1.00 0.00 O ATOM 1508 CB ILE A 100 0.885 -14.543 12.009 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.221 -13.629 12.540 1.00 0.00 C ATOM 1510 CG2 ILE A 100 2.198 -13.782 11.893 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.116 -13.353 14.023 1.00 0.00 C ATOM 0 H ILE A 100 -0.521 -13.504 9.786 1.00 0.00 H new ATOM 0 HA ILE A 100 1.287 -15.776 10.286 1.00 0.00 H new ATOM 0 HB ILE A 100 1.023 -15.362 12.715 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.190 -12.683 11.999 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.189 -14.084 12.331 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.468 -13.372 12.866 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.982 -14.459 11.554 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.085 -12.969 11.175 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.932 -12.699 14.330 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.177 -14.292 14.573 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.837 -12.869 14.236 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.623 -17.213 11.210 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.757 -18.107 11.413 1.00 0.00 C ATOM 1525 C LYS A 101 -2.367 -17.907 12.796 1.00 0.00 C ATOM 1526 O LYS A 101 -2.086 -18.664 13.724 1.00 0.00 O ATOM 1527 CB LYS A 101 -1.321 -19.564 11.241 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.452 -20.562 11.419 1.00 0.00 C ATOM 1529 CD LYS A 101 -3.218 -20.775 10.124 1.00 0.00 C ATOM 1530 CE LYS A 101 -4.603 -21.348 10.382 1.00 0.00 C ATOM 1531 NZ LYS A 101 -4.564 -22.823 10.581 1.00 0.00 N ATOM 0 H LYS A 101 0.286 -17.636 11.398 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.513 -17.870 10.665 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.889 -19.690 10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.534 -19.787 11.962 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.048 -21.514 11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.134 -20.206 12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.309 -19.827 9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.659 -21.450 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.034 -20.874 11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -5.256 -21.112 9.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.527 -23.176 10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.176 -23.278 9.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.961 -23.047 11.398 1.00 0.00 H new