USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 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 46 MET CE :methyl -173:sc= -2.35! (180deg=-1.08) USER MOD Set 1.2: A 81 MET CE :methyl -141:sc= -8.94! (180deg=-6.87!) USER MOD Single : A 3 MET CE :methyl -127:sc= -0.129 (180deg=-2.32!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.21! X(o=-1.2!,f=-0.74) USER MOD Single : A 7 GLN : amide:sc= -4.46! C(o=-4.5!,f=-5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 18 MET CE :methyl -152:sc= -0.944 (180deg=-2.61!) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.343) USER MOD Single : A 28 MET CE :methyl 165:sc= -0.0479 (180deg=-0.27) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.923 USER MOD Single : A 48 MET CE :methyl 154:sc= -0.184 (180deg=-0.502) USER MOD Single : A 51 GLN : amide:sc= -9.73! C(o=-9.7!,f=-16!) USER MOD Single : A 52 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -22:sc= 0.556 USER MOD Single : A 82 MET CE :methyl -157:sc= -7.91! (180deg=-10.6!) USER MOD Single : A 85 GLN :FLIP amide:sc= -2.85 F(o=-4.2!,f=-2.9) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 64.567 -6.271 -11.133 1.00 0.00 N ATOM 25 CA MET A 3 64.394 -5.440 -9.907 1.00 0.00 C ATOM 26 C MET A 3 63.067 -4.679 -9.968 1.00 0.00 C ATOM 27 O MET A 3 62.353 -4.579 -8.991 1.00 0.00 O ATOM 28 CB MET A 3 65.573 -4.468 -9.924 1.00 0.00 C ATOM 29 CG MET A 3 66.744 -5.069 -9.143 1.00 0.00 C ATOM 30 SD MET A 3 67.054 -6.758 -9.716 1.00 0.00 S ATOM 31 CE MET A 3 68.403 -6.368 -10.857 1.00 0.00 C ATOM 0 HA MET A 3 64.372 -6.040 -8.997 1.00 0.00 H new ATOM 0 HB2 MET A 3 65.874 -4.264 -10.951 1.00 0.00 H new ATOM 0 HB3 MET A 3 65.279 -3.516 -9.483 1.00 0.00 H new ATOM 0 HG2 MET A 3 67.637 -4.458 -9.279 1.00 0.00 H new ATOM 0 HG3 MET A 3 66.520 -5.072 -8.076 1.00 0.00 H new ATOM 0 HE1 MET A 3 68.179 -6.782 -11.840 1.00 0.00 H new ATOM 0 HE2 MET A 3 68.512 -5.286 -10.935 1.00 0.00 H new ATOM 0 HE3 MET A 3 69.331 -6.800 -10.484 1.00 0.00 H new ATOM 41 N THR A 4 62.733 -4.140 -11.109 1.00 0.00 N ATOM 42 CA THR A 4 61.453 -3.386 -11.231 1.00 0.00 C ATOM 43 C THR A 4 60.305 -4.192 -10.620 1.00 0.00 C ATOM 44 O THR A 4 59.306 -3.645 -10.194 1.00 0.00 O ATOM 45 CB THR A 4 61.241 -3.208 -12.736 1.00 0.00 C ATOM 46 OG1 THR A 4 59.983 -2.588 -12.963 1.00 0.00 O ATOM 47 CG2 THR A 4 61.270 -4.574 -13.422 1.00 0.00 C ATOM 0 H THR A 4 63.291 -4.189 -11.961 1.00 0.00 H new ATOM 0 HA THR A 4 61.484 -2.431 -10.707 1.00 0.00 H new ATOM 0 HB THR A 4 62.035 -2.583 -13.145 1.00 0.00 H new ATOM 0 HG1 THR A 4 59.845 -2.471 -13.926 1.00 0.00 H new ATOM 0 HG21 THR A 4 61.119 -4.446 -14.494 1.00 0.00 H new ATOM 0 HG22 THR A 4 62.235 -5.049 -13.246 1.00 0.00 H new ATOM 0 HG23 THR A 4 60.477 -5.202 -13.016 1.00 0.00 H new ATOM 55 N ASP A 5 60.438 -5.489 -10.570 1.00 0.00 N ATOM 56 CA ASP A 5 59.354 -6.329 -9.986 1.00 0.00 C ATOM 57 C ASP A 5 59.589 -6.529 -8.486 1.00 0.00 C ATOM 58 O ASP A 5 58.672 -6.788 -7.734 1.00 0.00 O ATOM 59 CB ASP A 5 59.445 -7.663 -10.728 1.00 0.00 C ATOM 60 CG ASP A 5 58.406 -7.693 -11.850 1.00 0.00 C ATOM 61 OD1 ASP A 5 57.808 -6.661 -12.104 1.00 0.00 O ATOM 62 OD2 ASP A 5 58.227 -8.748 -12.436 1.00 0.00 O ATOM 0 H ASP A 5 61.251 -6.004 -10.908 1.00 0.00 H new ATOM 0 HA ASP A 5 58.371 -5.870 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 5 60.445 -7.795 -11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 5 59.274 -8.488 -10.037 1.00 0.00 H new ATOM 67 N GLN A 6 60.812 -6.407 -8.047 1.00 0.00 N ATOM 68 CA GLN A 6 61.104 -6.589 -6.595 1.00 0.00 C ATOM 69 C GLN A 6 60.708 -5.333 -5.814 1.00 0.00 C ATOM 70 O GLN A 6 60.642 -5.341 -4.601 1.00 0.00 O ATOM 71 CB GLN A 6 62.614 -6.815 -6.519 1.00 0.00 C ATOM 72 CG GLN A 6 62.905 -8.028 -5.634 1.00 0.00 C ATOM 73 CD GLN A 6 62.128 -9.239 -6.156 1.00 0.00 C ATOM 74 OE1 GLN A 6 62.545 -9.883 -7.097 1.00 0.00 O ATOM 75 NE2 GLN A 6 61.009 -9.578 -5.578 1.00 0.00 N ATOM 0 H GLN A 6 61.621 -6.190 -8.629 1.00 0.00 H new ATOM 0 HA GLN A 6 60.546 -7.420 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 6 63.019 -6.975 -7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 6 63.105 -5.930 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 6 63.974 -8.242 -5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 6 62.620 -7.816 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 6 60.659 -9.037 -4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 6 60.484 -10.384 -5.916 1.00 0.00 H new ATOM 84 N GLN A 7 60.441 -4.255 -6.499 1.00 0.00 N ATOM 85 CA GLN A 7 60.049 -3.003 -5.793 1.00 0.00 C ATOM 86 C GLN A 7 58.569 -3.060 -5.400 1.00 0.00 C ATOM 87 O GLN A 7 58.140 -2.414 -4.465 1.00 0.00 O ATOM 88 CB GLN A 7 60.293 -1.882 -6.805 1.00 0.00 C ATOM 89 CG GLN A 7 61.634 -1.207 -6.505 1.00 0.00 C ATOM 90 CD GLN A 7 62.727 -1.838 -7.368 1.00 0.00 C ATOM 91 OE1 GLN A 7 62.582 -1.948 -8.569 1.00 0.00 O ATOM 92 NE2 GLN A 7 63.824 -2.261 -6.802 1.00 0.00 N ATOM 0 H GLN A 7 60.477 -4.187 -7.516 1.00 0.00 H new ATOM 0 HA GLN A 7 60.617 -2.852 -4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 7 60.295 -2.286 -7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 7 59.486 -1.151 -6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 7 61.568 -0.138 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 7 61.881 -1.317 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 7 63.946 -2.169 -5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 7 64.560 -2.684 -7.368 1.00 0.00 H new ATOM 101 N ALA A 8 57.789 -3.832 -6.107 1.00 0.00 N ATOM 102 CA ALA A 8 56.338 -3.932 -5.773 1.00 0.00 C ATOM 103 C ALA A 8 56.158 -4.440 -4.341 1.00 0.00 C ATOM 104 O ALA A 8 55.587 -3.772 -3.502 1.00 0.00 O ATOM 105 CB ALA A 8 55.771 -4.941 -6.773 1.00 0.00 C ATOM 0 H ALA A 8 58.092 -4.397 -6.900 1.00 0.00 H new ATOM 0 HA ALA A 8 55.833 -2.968 -5.834 1.00 0.00 H new ATOM 0 HB1 ALA A 8 54.704 -5.071 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 8 55.926 -4.574 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 8 56.279 -5.898 -6.652 1.00 0.00 H new ATOM 111 N GLU A 9 56.638 -5.619 -4.054 1.00 0.00 N ATOM 112 CA GLU A 9 56.491 -6.170 -2.677 1.00 0.00 C ATOM 113 C GLU A 9 57.510 -5.523 -1.735 1.00 0.00 C ATOM 114 O GLU A 9 57.286 -5.407 -0.546 1.00 0.00 O ATOM 115 CB GLU A 9 56.767 -7.668 -2.818 1.00 0.00 C ATOM 116 CG GLU A 9 55.506 -8.375 -3.317 1.00 0.00 C ATOM 117 CD GLU A 9 55.787 -9.026 -4.673 1.00 0.00 C ATOM 118 OE1 GLU A 9 55.916 -8.296 -5.642 1.00 0.00 O ATOM 119 OE2 GLU A 9 55.867 -10.242 -4.718 1.00 0.00 O ATOM 0 H GLU A 9 57.126 -6.225 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 9 55.504 -5.975 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 9 57.589 -7.833 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 9 57.074 -8.084 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 9 55.191 -9.131 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 9 54.688 -7.661 -3.407 1.00 0.00 H new ATOM 126 N ALA A 10 58.627 -5.097 -2.258 1.00 0.00 N ATOM 127 CA ALA A 10 59.658 -4.455 -1.392 1.00 0.00 C ATOM 128 C ALA A 10 59.038 -3.313 -0.586 1.00 0.00 C ATOM 129 O ALA A 10 59.331 -3.130 0.578 1.00 0.00 O ATOM 130 CB ALA A 10 60.707 -3.914 -2.363 1.00 0.00 C ATOM 0 H ALA A 10 58.871 -5.165 -3.246 1.00 0.00 H new ATOM 0 HA ALA A 10 60.086 -5.154 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 10 61.504 -3.425 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 10 61.124 -4.737 -2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 10 60.242 -3.194 -3.037 1.00 0.00 H new ATOM 136 N ARG A 11 58.181 -2.542 -1.198 1.00 0.00 N ATOM 137 CA ARG A 11 57.542 -1.411 -0.468 1.00 0.00 C ATOM 138 C ARG A 11 56.177 -1.840 0.076 1.00 0.00 C ATOM 139 O ARG A 11 55.710 -1.338 1.079 1.00 0.00 O ATOM 140 CB ARG A 11 57.378 -0.309 -1.515 1.00 0.00 C ATOM 141 CG ARG A 11 56.369 -0.758 -2.575 1.00 0.00 C ATOM 142 CD ARG A 11 56.752 -0.163 -3.930 1.00 0.00 C ATOM 143 NE ARG A 11 56.526 1.302 -3.783 1.00 0.00 N ATOM 144 CZ ARG A 11 55.984 1.979 -4.758 1.00 0.00 C ATOM 145 NH1 ARG A 11 56.652 2.182 -5.861 1.00 0.00 N ATOM 146 NH2 ARG A 11 54.776 2.454 -4.629 1.00 0.00 N ATOM 0 H ARG A 11 57.896 -2.647 -2.172 1.00 0.00 H new ATOM 0 HA ARG A 11 58.135 -1.080 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 11 57.037 0.611 -1.040 1.00 0.00 H new ATOM 0 HB3 ARG A 11 58.338 -0.090 -1.982 1.00 0.00 H new ATOM 0 HG2 ARG A 11 56.350 -1.846 -2.636 1.00 0.00 H new ATOM 0 HG3 ARG A 11 55.365 -0.437 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 11 57.791 -0.380 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 11 56.141 -0.579 -4.731 1.00 0.00 H new ATOM 0 HE ARG A 11 56.795 1.776 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 11 57.597 1.811 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 11 56.229 2.711 -6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 11 54.255 2.296 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 11 54.352 2.983 -5.391 1.00 0.00 H new ATOM 160 N ALA A 12 55.533 -2.765 -0.581 1.00 0.00 N ATOM 161 CA ALA A 12 54.198 -3.227 -0.106 1.00 0.00 C ATOM 162 C ALA A 12 54.355 -4.185 1.079 1.00 0.00 C ATOM 163 O ALA A 12 53.393 -4.558 1.718 1.00 0.00 O ATOM 164 CB ALA A 12 53.583 -3.948 -1.305 1.00 0.00 C ATOM 0 H ALA A 12 55.874 -3.221 -1.427 1.00 0.00 H new ATOM 0 HA ALA A 12 53.574 -2.403 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.594 -4.320 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 12 53.496 -3.254 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.220 -4.784 -1.593 1.00 0.00 H new ATOM 170 N PHE A 13 55.562 -4.587 1.378 1.00 0.00 N ATOM 171 CA PHE A 13 55.772 -5.520 2.523 1.00 0.00 C ATOM 172 C PHE A 13 55.275 -4.882 3.822 1.00 0.00 C ATOM 173 O PHE A 13 54.725 -5.543 4.680 1.00 0.00 O ATOM 174 CB PHE A 13 57.285 -5.748 2.580 1.00 0.00 C ATOM 175 CG PHE A 13 57.656 -6.349 3.916 1.00 0.00 C ATOM 176 CD1 PHE A 13 57.225 -7.639 4.247 1.00 0.00 C ATOM 177 CD2 PHE A 13 58.427 -5.613 4.824 1.00 0.00 C ATOM 178 CE1 PHE A 13 57.567 -8.194 5.486 1.00 0.00 C ATOM 179 CE2 PHE A 13 58.770 -6.169 6.062 1.00 0.00 C ATOM 180 CZ PHE A 13 58.339 -7.459 6.394 1.00 0.00 C ATOM 0 H PHE A 13 56.409 -4.311 0.881 1.00 0.00 H new ATOM 0 HA PHE A 13 55.225 -6.455 2.399 1.00 0.00 H new ATOM 0 HB2 PHE A 13 57.594 -6.412 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 13 57.811 -4.804 2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 13 56.629 -8.206 3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 13 58.757 -4.617 4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 13 57.235 -9.189 5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 13 59.367 -5.603 6.761 1.00 0.00 H new ATOM 0 HZ PHE A 13 58.602 -7.887 7.350 1.00 0.00 H new ATOM 190 N LEU A 14 55.463 -3.600 3.973 1.00 0.00 N ATOM 191 CA LEU A 14 55.000 -2.922 5.217 1.00 0.00 C ATOM 192 C LEU A 14 54.026 -1.792 4.871 1.00 0.00 C ATOM 193 O LEU A 14 54.104 -1.188 3.820 1.00 0.00 O ATOM 194 CB LEU A 14 56.269 -2.370 5.884 1.00 0.00 C ATOM 195 CG LEU A 14 57.237 -1.831 4.826 1.00 0.00 C ATOM 196 CD1 LEU A 14 56.586 -0.666 4.080 1.00 0.00 C ATOM 197 CD2 LEU A 14 58.516 -1.341 5.509 1.00 0.00 C ATOM 0 H LEU A 14 55.916 -2.993 3.290 1.00 0.00 H new ATOM 0 HA LEU A 14 54.469 -3.603 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 14 56.004 -1.576 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 14 56.754 -3.156 6.463 1.00 0.00 H new ATOM 0 HG LEU A 14 57.479 -2.626 4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 14 57.276 -0.284 3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 55.673 -1.010 3.593 1.00 0.00 H new ATOM 0 HD13 LEU A 14 56.343 0.128 4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 59.206 -0.957 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 14 58.270 -0.548 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 58.984 -2.169 6.042 1.00 0.00 H new ATOM 209 N SER A 15 53.099 -1.507 5.745 1.00 0.00 N ATOM 210 CA SER A 15 52.117 -0.422 5.462 1.00 0.00 C ATOM 211 C SER A 15 52.829 0.929 5.354 1.00 0.00 C ATOM 212 O SER A 15 53.986 1.062 5.701 1.00 0.00 O ATOM 213 CB SER A 15 51.165 -0.432 6.656 1.00 0.00 C ATOM 214 OG SER A 15 51.921 -0.403 7.860 1.00 0.00 O ATOM 0 H SER A 15 52.979 -1.978 6.642 1.00 0.00 H new ATOM 0 HA SER A 15 51.593 -0.577 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 15 50.498 0.429 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 15 50.538 -1.323 6.628 1.00 0.00 H new ATOM 0 HG SER A 15 51.313 -0.408 8.628 1.00 0.00 H new ATOM 220 N GLU A 16 52.145 1.930 4.873 1.00 0.00 N ATOM 221 CA GLU A 16 52.777 3.275 4.739 1.00 0.00 C ATOM 222 C GLU A 16 53.361 3.726 6.081 1.00 0.00 C ATOM 223 O GLU A 16 54.379 4.387 6.136 1.00 0.00 O ATOM 224 CB GLU A 16 51.638 4.202 4.311 1.00 0.00 C ATOM 225 CG GLU A 16 52.152 5.639 4.225 1.00 0.00 C ATOM 226 CD GLU A 16 51.174 6.483 3.405 1.00 0.00 C ATOM 227 OE1 GLU A 16 50.019 6.101 3.322 1.00 0.00 O ATOM 228 OE2 GLU A 16 51.596 7.497 2.874 1.00 0.00 O ATOM 0 H GLU A 16 51.174 1.876 4.566 1.00 0.00 H new ATOM 0 HA GLU A 16 53.598 3.276 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 16 51.243 3.888 3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.817 4.141 5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 16 52.260 6.058 5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 16 53.139 5.656 3.763 1.00 0.00 H new ATOM 235 N GLU A 17 52.725 3.373 7.166 1.00 0.00 N ATOM 236 CA GLU A 17 53.246 3.785 8.502 1.00 0.00 C ATOM 237 C GLU A 17 54.759 3.560 8.571 1.00 0.00 C ATOM 238 O GLU A 17 55.512 4.445 8.926 1.00 0.00 O ATOM 239 CB GLU A 17 52.524 2.885 9.505 1.00 0.00 C ATOM 240 CG GLU A 17 53.096 3.120 10.905 1.00 0.00 C ATOM 241 CD GLU A 17 53.898 1.893 11.342 1.00 0.00 C ATOM 242 OE1 GLU A 17 54.832 1.539 10.641 1.00 0.00 O ATOM 243 OE2 GLU A 17 53.567 1.329 12.372 1.00 0.00 O ATOM 0 H GLU A 17 51.869 2.818 7.185 1.00 0.00 H new ATOM 0 HA GLU A 17 53.072 4.842 8.705 1.00 0.00 H new ATOM 0 HB2 GLU A 17 51.455 3.098 9.497 1.00 0.00 H new ATOM 0 HB3 GLU A 17 52.643 1.839 9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 17 53.734 4.004 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 17 52.288 3.310 11.612 1.00 0.00 H new ATOM 250 N MET A 18 55.210 2.383 8.234 1.00 0.00 N ATOM 251 CA MET A 18 56.674 2.106 8.281 1.00 0.00 C ATOM 252 C MET A 18 57.398 2.897 7.189 1.00 0.00 C ATOM 253 O MET A 18 58.404 3.532 7.433 1.00 0.00 O ATOM 254 CB MET A 18 56.801 0.602 8.029 1.00 0.00 C ATOM 255 CG MET A 18 58.196 0.131 8.444 1.00 0.00 C ATOM 256 SD MET A 18 58.116 -0.607 10.095 1.00 0.00 S ATOM 257 CE MET A 18 58.313 0.925 11.038 1.00 0.00 C ATOM 0 H MET A 18 54.629 1.602 7.929 1.00 0.00 H new ATOM 0 HA MET A 18 57.119 2.399 9.232 1.00 0.00 H new ATOM 0 HB2 MET A 18 56.041 0.062 8.594 1.00 0.00 H new ATOM 0 HB3 MET A 18 56.630 0.383 6.975 1.00 0.00 H new ATOM 0 HG2 MET A 18 58.574 -0.597 7.726 1.00 0.00 H new ATOM 0 HG3 MET A 18 58.891 0.971 8.442 1.00 0.00 H new ATOM 0 HE1 MET A 18 58.778 0.704 11.998 1.00 0.00 H new ATOM 0 HE2 MET A 18 58.944 1.617 10.480 1.00 0.00 H new ATOM 0 HE3 MET A 18 57.336 1.378 11.204 1.00 0.00 H new ATOM 267 N ILE A 19 56.894 2.864 5.985 1.00 0.00 N ATOM 268 CA ILE A 19 57.555 3.618 4.881 1.00 0.00 C ATOM 269 C ILE A 19 57.941 5.019 5.358 1.00 0.00 C ATOM 270 O ILE A 19 58.986 5.538 5.016 1.00 0.00 O ATOM 271 CB ILE A 19 56.506 3.697 3.772 1.00 0.00 C ATOM 272 CG1 ILE A 19 56.372 2.328 3.100 1.00 0.00 C ATOM 273 CG2 ILE A 19 56.937 4.733 2.733 1.00 0.00 C ATOM 274 CD1 ILE A 19 55.376 2.423 1.943 1.00 0.00 C ATOM 0 H ILE A 19 56.055 2.349 5.718 1.00 0.00 H new ATOM 0 HA ILE A 19 58.471 3.135 4.540 1.00 0.00 H new ATOM 0 HB ILE A 19 55.547 3.989 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 19 57.343 1.995 2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 19 56.035 1.587 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 19 56.189 4.789 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 19 57.034 5.708 3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 19 57.896 4.442 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 19 55.280 1.448 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 19 54.404 2.737 2.324 1.00 0.00 H new ATOM 0 HD13 ILE A 19 55.733 3.151 1.215 1.00 0.00 H new ATOM 286 N ALA A 20 57.106 5.637 6.148 1.00 0.00 N ATOM 287 CA ALA A 20 57.425 7.004 6.649 1.00 0.00 C ATOM 288 C ALA A 20 58.504 6.930 7.733 1.00 0.00 C ATOM 289 O ALA A 20 59.253 7.863 7.941 1.00 0.00 O ATOM 290 CB ALA A 20 56.113 7.529 7.233 1.00 0.00 C ATOM 0 H ALA A 20 56.216 5.254 6.468 1.00 0.00 H new ATOM 0 HA ALA A 20 57.809 7.653 5.862 1.00 0.00 H new ATOM 0 HB1 ALA A 20 56.266 8.535 7.624 1.00 0.00 H new ATOM 0 HB2 ALA A 20 55.352 7.554 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 20 55.785 6.872 8.039 1.00 0.00 H new ATOM 296 N GLU A 21 58.588 5.825 8.422 1.00 0.00 N ATOM 297 CA GLU A 21 59.617 5.691 9.492 1.00 0.00 C ATOM 298 C GLU A 21 61.020 5.693 8.878 1.00 0.00 C ATOM 299 O GLU A 21 61.900 6.407 9.318 1.00 0.00 O ATOM 300 CB GLU A 21 59.323 4.347 10.158 1.00 0.00 C ATOM 301 CG GLU A 21 60.469 3.985 11.105 1.00 0.00 C ATOM 302 CD GLU A 21 60.716 5.141 12.077 1.00 0.00 C ATOM 303 OE1 GLU A 21 59.747 5.669 12.597 1.00 0.00 O ATOM 304 OE2 GLU A 21 61.870 5.479 12.283 1.00 0.00 O ATOM 0 H GLU A 21 57.989 5.010 8.291 1.00 0.00 H new ATOM 0 HA GLU A 21 59.582 6.514 10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 21 58.384 4.400 10.710 1.00 0.00 H new ATOM 0 HB3 GLU A 21 59.204 3.572 9.401 1.00 0.00 H new ATOM 0 HG2 GLU A 21 60.225 3.078 11.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 61.374 3.777 10.534 1.00 0.00 H new ATOM 311 N PHE A 22 61.237 4.899 7.864 1.00 0.00 N ATOM 312 CA PHE A 22 62.585 4.859 7.225 1.00 0.00 C ATOM 313 C PHE A 22 62.803 6.110 6.370 1.00 0.00 C ATOM 314 O PHE A 22 63.911 6.580 6.213 1.00 0.00 O ATOM 315 CB PHE A 22 62.573 3.605 6.348 1.00 0.00 C ATOM 316 CG PHE A 22 62.147 2.406 7.167 1.00 0.00 C ATOM 317 CD1 PHE A 22 62.177 2.458 8.568 1.00 0.00 C ATOM 318 CD2 PHE A 22 61.722 1.237 6.522 1.00 0.00 C ATOM 319 CE1 PHE A 22 61.782 1.345 9.319 1.00 0.00 C ATOM 320 CE2 PHE A 22 61.327 0.124 7.274 1.00 0.00 C ATOM 321 CZ PHE A 22 61.358 0.178 8.673 1.00 0.00 C ATOM 0 H PHE A 22 60.541 4.278 7.451 1.00 0.00 H new ATOM 0 HA PHE A 22 63.389 4.833 7.961 1.00 0.00 H new ATOM 0 HB2 PHE A 22 61.891 3.744 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 22 63.564 3.435 5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 22 62.505 3.357 9.068 1.00 0.00 H new ATOM 0 HD2 PHE A 22 61.699 1.194 5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 22 61.804 1.387 10.398 1.00 0.00 H new ATOM 0 HE2 PHE A 22 60.999 -0.776 6.775 1.00 0.00 H new ATOM 0 HZ PHE A 22 61.055 -0.681 9.253 1.00 0.00 H new ATOM 331 N LYS A 23 61.753 6.651 5.817 1.00 0.00 N ATOM 332 CA LYS A 23 61.905 7.873 4.974 1.00 0.00 C ATOM 333 C LYS A 23 62.733 8.924 5.717 1.00 0.00 C ATOM 334 O LYS A 23 63.851 9.222 5.345 1.00 0.00 O ATOM 335 CB LYS A 23 60.480 8.375 4.744 1.00 0.00 C ATOM 336 CG LYS A 23 60.480 9.401 3.608 1.00 0.00 C ATOM 337 CD LYS A 23 60.628 8.679 2.268 1.00 0.00 C ATOM 338 CE LYS A 23 59.385 8.930 1.412 1.00 0.00 C ATOM 339 NZ LYS A 23 58.281 8.223 2.119 1.00 0.00 N ATOM 0 H LYS A 23 60.799 6.302 5.911 1.00 0.00 H new ATOM 0 HA LYS A 23 62.420 7.668 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 23 59.824 7.541 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 23 60.090 8.826 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 23 59.554 9.976 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 23 61.297 10.109 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 23 61.518 9.034 1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 23 60.760 7.609 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 23 59.177 9.996 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 23 59.517 8.544 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 57.541 7.964 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 58.652 7.363 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 57.878 8.848 2.846 1.00 0.00 H new ATOM 353 N ALA A 24 62.196 9.486 6.764 1.00 0.00 N ATOM 354 CA ALA A 24 62.957 10.515 7.530 1.00 0.00 C ATOM 355 C ALA A 24 64.398 10.046 7.748 1.00 0.00 C ATOM 356 O ALA A 24 65.302 10.839 7.919 1.00 0.00 O ATOM 357 CB ALA A 24 62.224 10.638 8.866 1.00 0.00 C ATOM 0 H ALA A 24 61.264 9.278 7.123 1.00 0.00 H new ATOM 0 HA ALA A 24 63.007 11.469 7.006 1.00 0.00 H new ATOM 0 HB1 ALA A 24 62.725 11.379 9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 24 61.194 10.949 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 24 62.229 9.674 9.374 1.00 0.00 H new ATOM 363 N ALA A 25 64.617 8.760 7.744 1.00 0.00 N ATOM 364 CA ALA A 25 65.998 8.236 7.951 1.00 0.00 C ATOM 365 C ALA A 25 66.767 8.236 6.627 1.00 0.00 C ATOM 366 O ALA A 25 67.857 8.764 6.531 1.00 0.00 O ATOM 367 CB ALA A 25 65.806 6.806 8.457 1.00 0.00 C ATOM 0 H ALA A 25 63.899 8.048 7.606 1.00 0.00 H new ATOM 0 HA ALA A 25 66.570 8.844 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 25 66.780 6.349 8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 25 65.238 6.822 9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 25 65.263 6.226 7.711 1.00 0.00 H new ATOM 373 N PHE A 26 66.207 7.647 5.607 1.00 0.00 N ATOM 374 CA PHE A 26 66.905 7.610 4.290 1.00 0.00 C ATOM 375 C PHE A 26 67.108 9.031 3.756 1.00 0.00 C ATOM 376 O PHE A 26 68.057 9.310 3.050 1.00 0.00 O ATOM 377 CB PHE A 26 65.974 6.821 3.370 1.00 0.00 C ATOM 378 CG PHE A 26 66.439 6.966 1.942 1.00 0.00 C ATOM 379 CD1 PHE A 26 67.464 6.148 1.453 1.00 0.00 C ATOM 380 CD2 PHE A 26 65.845 7.918 1.105 1.00 0.00 C ATOM 381 CE1 PHE A 26 67.897 6.282 0.129 1.00 0.00 C ATOM 382 CE2 PHE A 26 66.277 8.054 -0.220 1.00 0.00 C ATOM 383 CZ PHE A 26 67.303 7.235 -0.708 1.00 0.00 C ATOM 0 H PHE A 26 65.296 7.189 5.628 1.00 0.00 H new ATOM 0 HA PHE A 26 67.892 7.154 4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 26 65.967 5.769 3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 26 64.952 7.185 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 26 67.921 5.413 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 26 65.053 8.548 1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 26 68.689 5.651 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 26 65.820 8.790 -0.865 1.00 0.00 H new ATOM 0 HZ PHE A 26 67.636 7.338 -1.730 1.00 0.00 H new ATOM 393 N ASP A 27 66.224 9.933 4.089 1.00 0.00 N ATOM 394 CA ASP A 27 66.370 11.334 3.599 1.00 0.00 C ATOM 395 C ASP A 27 67.557 12.015 4.287 1.00 0.00 C ATOM 396 O ASP A 27 67.907 13.136 3.975 1.00 0.00 O ATOM 397 CB ASP A 27 65.061 12.025 3.980 1.00 0.00 C ATOM 398 CG ASP A 27 64.438 12.660 2.735 1.00 0.00 C ATOM 399 OD1 ASP A 27 64.121 11.924 1.814 1.00 0.00 O ATOM 400 OD2 ASP A 27 64.288 13.870 2.722 1.00 0.00 O ATOM 0 H ASP A 27 65.409 9.761 4.678 1.00 0.00 H new ATOM 0 HA ASP A 27 66.557 11.379 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 27 64.371 11.304 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.247 12.788 4.736 1.00 0.00 H new ATOM 405 N MET A 28 68.179 11.346 5.218 1.00 0.00 N ATOM 406 CA MET A 28 69.342 11.956 5.924 1.00 0.00 C ATOM 407 C MET A 28 70.468 12.255 4.929 1.00 0.00 C ATOM 408 O MET A 28 71.273 13.140 5.137 1.00 0.00 O ATOM 409 CB MET A 28 69.789 10.903 6.938 1.00 0.00 C ATOM 410 CG MET A 28 68.827 10.897 8.128 1.00 0.00 C ATOM 411 SD MET A 28 69.666 11.562 9.586 1.00 0.00 S ATOM 412 CE MET A 28 69.251 10.214 10.721 1.00 0.00 C ATOM 0 H MET A 28 67.933 10.404 5.521 1.00 0.00 H new ATOM 0 HA MET A 28 69.083 12.900 6.404 1.00 0.00 H new ATOM 0 HB2 MET A 28 69.811 9.919 6.470 1.00 0.00 H new ATOM 0 HB3 MET A 28 70.802 11.117 7.277 1.00 0.00 H new ATOM 0 HG2 MET A 28 67.945 11.495 7.899 1.00 0.00 H new ATOM 0 HG3 MET A 28 68.482 9.882 8.325 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.883 10.277 11.607 1.00 0.00 H new ATOM 0 HE2 MET A 28 68.205 10.295 11.015 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.415 9.257 10.225 1.00 0.00 H new ATOM 422 N PHE A 29 70.529 11.521 3.853 1.00 0.00 N ATOM 423 CA PHE A 29 71.606 11.762 2.845 1.00 0.00 C ATOM 424 C PHE A 29 70.995 12.225 1.521 1.00 0.00 C ATOM 425 O PHE A 29 71.514 11.949 0.457 1.00 0.00 O ATOM 426 CB PHE A 29 72.304 10.409 2.667 1.00 0.00 C ATOM 427 CG PHE A 29 72.467 9.740 4.011 1.00 0.00 C ATOM 428 CD1 PHE A 29 71.463 8.896 4.496 1.00 0.00 C ATOM 429 CD2 PHE A 29 73.620 9.967 4.771 1.00 0.00 C ATOM 430 CE1 PHE A 29 71.609 8.279 5.743 1.00 0.00 C ATOM 431 CE2 PHE A 29 73.767 9.351 6.019 1.00 0.00 C ATOM 432 CZ PHE A 29 72.761 8.506 6.505 1.00 0.00 C ATOM 0 H PHE A 29 69.882 10.766 3.626 1.00 0.00 H new ATOM 0 HA PHE A 29 72.301 12.538 3.166 1.00 0.00 H new ATOM 0 HB2 PHE A 29 71.721 9.773 2.002 1.00 0.00 H new ATOM 0 HB3 PHE A 29 73.279 10.550 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 29 70.575 8.720 3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 29 74.396 10.617 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 29 70.833 7.628 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 29 74.656 9.527 6.607 1.00 0.00 H new ATOM 0 HZ PHE A 29 72.874 8.030 7.468 1.00 0.00 H new ATOM 442 N ASP A 30 69.897 12.927 1.576 1.00 0.00 N ATOM 443 CA ASP A 30 69.256 13.406 0.317 1.00 0.00 C ATOM 444 C ASP A 30 69.522 14.901 0.122 1.00 0.00 C ATOM 445 O ASP A 30 68.693 15.626 -0.389 1.00 0.00 O ATOM 446 CB ASP A 30 67.761 13.147 0.510 1.00 0.00 C ATOM 447 CG ASP A 30 67.395 11.796 -0.106 1.00 0.00 C ATOM 448 OD1 ASP A 30 68.122 11.346 -0.976 1.00 0.00 O ATOM 449 OD2 ASP A 30 66.392 11.233 0.303 1.00 0.00 O ATOM 0 H ASP A 30 69.416 13.190 2.436 1.00 0.00 H new ATOM 0 HA ASP A 30 69.647 12.898 -0.564 1.00 0.00 H new ATOM 0 HB2 ASP A 30 67.514 13.154 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 30 67.180 13.942 0.042 1.00 0.00 H new ATOM 490 N GLY A 35 65.160 12.296 -3.424 1.00 0.00 N ATOM 491 CA GLY A 35 64.503 10.961 -3.350 1.00 0.00 C ATOM 492 C GLY A 35 65.530 9.868 -3.644 1.00 0.00 C ATOM 493 O GLY A 35 65.185 8.740 -3.935 1.00 0.00 O ATOM 0 HA2 GLY A 35 64.071 10.811 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 63.684 10.907 -4.067 1.00 0.00 H new ATOM 497 N ASP A 36 66.793 10.190 -3.571 1.00 0.00 N ATOM 498 CA ASP A 36 67.840 9.164 -3.848 1.00 0.00 C ATOM 499 C ASP A 36 69.190 9.621 -3.291 1.00 0.00 C ATOM 500 O ASP A 36 69.675 10.688 -3.609 1.00 0.00 O ATOM 501 CB ASP A 36 67.896 9.059 -5.371 1.00 0.00 C ATOM 502 CG ASP A 36 67.952 10.462 -5.979 1.00 0.00 C ATOM 503 OD1 ASP A 36 69.007 11.071 -5.915 1.00 0.00 O ATOM 504 OD2 ASP A 36 66.939 10.903 -6.496 1.00 0.00 O ATOM 0 H ASP A 36 67.145 11.117 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 36 67.613 8.206 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 36 68.771 8.485 -5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 36 67.021 8.525 -5.742 1.00 0.00 H new ATOM 509 N ILE A 37 69.802 8.819 -2.463 1.00 0.00 N ATOM 510 CA ILE A 37 71.122 9.205 -1.888 1.00 0.00 C ATOM 511 C ILE A 37 72.255 8.549 -2.680 1.00 0.00 C ATOM 512 O ILE A 37 72.023 7.790 -3.600 1.00 0.00 O ATOM 513 CB ILE A 37 71.097 8.681 -0.452 1.00 0.00 C ATOM 514 CG1 ILE A 37 71.088 7.150 -0.471 1.00 0.00 C ATOM 515 CG2 ILE A 37 69.840 9.189 0.256 1.00 0.00 C ATOM 516 CD1 ILE A 37 71.152 6.620 0.963 1.00 0.00 C ATOM 0 H ILE A 37 69.445 7.913 -2.160 1.00 0.00 H new ATOM 0 HA ILE A 37 71.291 10.281 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 37 71.980 9.035 0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 37 70.186 6.787 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 37 71.936 6.778 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 37 69.823 8.815 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 37 69.844 10.279 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 37 68.956 8.836 -0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 37 71.146 5.530 0.949 1.00 0.00 H new ATOM 0 HD12 ILE A 37 72.067 6.971 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 37 70.289 6.981 1.523 1.00 0.00 H new ATOM 528 N SER A 38 73.479 8.835 -2.332 1.00 0.00 N ATOM 529 CA SER A 38 74.625 8.226 -3.067 1.00 0.00 C ATOM 530 C SER A 38 74.611 6.704 -2.901 1.00 0.00 C ATOM 531 O SER A 38 74.506 6.190 -1.804 1.00 0.00 O ATOM 532 CB SER A 38 75.873 8.824 -2.419 1.00 0.00 C ATOM 533 OG SER A 38 75.815 10.243 -2.510 1.00 0.00 O ATOM 0 H SER A 38 73.736 9.464 -1.571 1.00 0.00 H new ATOM 0 HA SER A 38 74.584 8.429 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 38 75.937 8.517 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.769 8.452 -2.916 1.00 0.00 H new ATOM 0 HG SER A 38 76.613 10.630 -2.094 1.00 0.00 H new ATOM 539 N THR A 39 74.719 5.978 -3.980 1.00 0.00 N ATOM 540 CA THR A 39 74.713 4.490 -3.882 1.00 0.00 C ATOM 541 C THR A 39 75.662 4.030 -2.772 1.00 0.00 C ATOM 542 O THR A 39 75.462 3.001 -2.157 1.00 0.00 O ATOM 543 CB THR A 39 75.206 4.003 -5.246 1.00 0.00 C ATOM 544 OG1 THR A 39 76.290 4.816 -5.672 1.00 0.00 O ATOM 545 CG2 THR A 39 74.068 4.089 -6.264 1.00 0.00 C ATOM 0 H THR A 39 74.811 6.350 -4.925 1.00 0.00 H new ATOM 0 HA THR A 39 73.726 4.095 -3.640 1.00 0.00 H new ATOM 0 HB THR A 39 75.537 2.968 -5.165 1.00 0.00 H new ATOM 0 HG1 THR A 39 76.609 4.505 -6.545 1.00 0.00 H new ATOM 0 HG21 THR A 39 74.421 3.742 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 39 73.238 3.464 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 39 73.733 5.123 -6.349 1.00 0.00 H new ATOM 553 N LYS A 40 76.695 4.785 -2.513 1.00 0.00 N ATOM 554 CA LYS A 40 77.659 4.390 -1.444 1.00 0.00 C ATOM 555 C LYS A 40 77.056 4.649 -0.061 1.00 0.00 C ATOM 556 O LYS A 40 77.564 4.192 0.943 1.00 0.00 O ATOM 557 CB LYS A 40 78.883 5.280 -1.669 1.00 0.00 C ATOM 558 CG LYS A 40 80.035 4.794 -0.788 1.00 0.00 C ATOM 559 CD LYS A 40 81.249 4.477 -1.663 1.00 0.00 C ATOM 560 CE LYS A 40 82.271 5.609 -1.548 1.00 0.00 C ATOM 561 NZ LYS A 40 81.866 6.600 -2.582 1.00 0.00 N ATOM 0 H LYS A 40 76.914 5.657 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 40 77.909 3.330 -1.486 1.00 0.00 H new ATOM 0 HB2 LYS A 40 79.177 5.254 -2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 40 78.641 6.316 -1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.292 5.557 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 40 79.732 3.906 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 40 81.699 3.534 -1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.940 4.356 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 40 82.260 6.051 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 40 83.284 5.246 -1.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 82.521 7.407 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 81.893 6.153 -3.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 80.901 6.933 -2.384 1.00 0.00 H new ATOM 575 N GLU A 41 75.977 5.380 0.000 1.00 0.00 N ATOM 576 CA GLU A 41 75.346 5.667 1.319 1.00 0.00 C ATOM 577 C GLU A 41 74.241 4.647 1.611 1.00 0.00 C ATOM 578 O GLU A 41 73.550 4.734 2.606 1.00 0.00 O ATOM 579 CB GLU A 41 74.757 7.072 1.180 1.00 0.00 C ATOM 580 CG GLU A 41 74.426 7.628 2.566 1.00 0.00 C ATOM 581 CD GLU A 41 75.705 8.145 3.228 1.00 0.00 C ATOM 582 OE1 GLU A 41 76.371 8.968 2.622 1.00 0.00 O ATOM 583 OE2 GLU A 41 75.997 7.708 4.329 1.00 0.00 O ATOM 0 H GLU A 41 75.505 5.791 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 41 76.060 5.604 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 41 75.467 7.727 0.674 1.00 0.00 H new ATOM 0 HB3 GLU A 41 73.858 7.041 0.565 1.00 0.00 H new ATOM 0 HG2 GLU A 41 73.697 8.434 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 41 73.973 6.851 3.182 1.00 0.00 H new ATOM 590 N LEU A 42 74.071 3.681 0.751 1.00 0.00 N ATOM 591 CA LEU A 42 73.012 2.657 0.981 1.00 0.00 C ATOM 592 C LEU A 42 73.247 1.945 2.316 1.00 0.00 C ATOM 593 O LEU A 42 72.405 1.952 3.191 1.00 0.00 O ATOM 594 CB LEU A 42 73.150 1.675 -0.183 1.00 0.00 C ATOM 595 CG LEU A 42 71.773 1.410 -0.792 1.00 0.00 C ATOM 596 CD1 LEU A 42 71.518 2.396 -1.934 1.00 0.00 C ATOM 597 CD2 LEU A 42 71.723 -0.020 -1.333 1.00 0.00 C ATOM 0 H LEU A 42 74.619 3.556 -0.100 1.00 0.00 H new ATOM 0 HA LEU A 42 72.015 3.096 1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 42 73.821 2.082 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 42 73.591 0.741 0.165 1.00 0.00 H new ATOM 0 HG LEU A 42 71.008 1.538 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 42 70.536 2.205 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.553 3.415 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 42 72.283 2.271 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 42 70.742 -0.211 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 42 72.489 -0.147 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 42 71.902 -0.723 -0.520 1.00 0.00 H new ATOM 609 N GLY A 43 74.388 1.332 2.479 1.00 0.00 N ATOM 610 CA GLY A 43 74.675 0.623 3.758 1.00 0.00 C ATOM 611 C GLY A 43 74.381 1.556 4.933 1.00 0.00 C ATOM 612 O GLY A 43 73.805 1.159 5.926 1.00 0.00 O ATOM 0 H GLY A 43 75.132 1.292 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 43 74.065 -0.277 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 43 75.717 0.305 3.784 1.00 0.00 H new ATOM 616 N THR A 44 74.771 2.796 4.827 1.00 0.00 N ATOM 617 CA THR A 44 74.516 3.758 5.937 1.00 0.00 C ATOM 618 C THR A 44 73.029 3.761 6.303 1.00 0.00 C ATOM 619 O THR A 44 72.648 3.378 7.391 1.00 0.00 O ATOM 620 CB THR A 44 74.933 5.121 5.384 1.00 0.00 C ATOM 621 OG1 THR A 44 76.351 5.199 5.345 1.00 0.00 O ATOM 622 CG2 THR A 44 74.384 6.227 6.283 1.00 0.00 C ATOM 0 H THR A 44 75.256 3.186 4.019 1.00 0.00 H new ATOM 0 HA THR A 44 75.066 3.499 6.842 1.00 0.00 H new ATOM 0 HB THR A 44 74.534 5.244 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 44 76.621 6.071 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 44 74.682 7.198 5.888 1.00 0.00 H new ATOM 0 HG22 THR A 44 73.296 6.165 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 44 74.782 6.108 7.291 1.00 0.00 H new ATOM 630 N VAL A 45 72.188 4.189 5.403 1.00 0.00 N ATOM 631 CA VAL A 45 70.726 4.216 5.702 1.00 0.00 C ATOM 632 C VAL A 45 70.290 2.884 6.317 1.00 0.00 C ATOM 633 O VAL A 45 69.716 2.842 7.387 1.00 0.00 O ATOM 634 CB VAL A 45 70.050 4.430 4.348 1.00 0.00 C ATOM 635 CG1 VAL A 45 68.543 4.210 4.489 1.00 0.00 C ATOM 636 CG2 VAL A 45 70.312 5.858 3.866 1.00 0.00 C ATOM 0 H VAL A 45 72.448 4.521 4.474 1.00 0.00 H new ATOM 0 HA VAL A 45 70.463 4.997 6.416 1.00 0.00 H new ATOM 0 HB VAL A 45 70.455 3.722 3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.061 4.363 3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 45 68.354 3.193 4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 45 68.138 4.918 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 69.830 6.010 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 45 69.908 6.566 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 45 71.386 6.017 3.764 1.00 0.00 H new ATOM 646 N MET A 46 70.558 1.796 5.649 1.00 0.00 N ATOM 647 CA MET A 46 70.159 0.467 6.196 1.00 0.00 C ATOM 648 C MET A 46 70.602 0.340 7.656 1.00 0.00 C ATOM 649 O MET A 46 69.844 -0.070 8.512 1.00 0.00 O ATOM 650 CB MET A 46 70.888 -0.554 5.322 1.00 0.00 C ATOM 651 CG MET A 46 70.345 -0.483 3.894 1.00 0.00 C ATOM 652 SD MET A 46 71.415 -1.443 2.794 1.00 0.00 S ATOM 653 CE MET A 46 70.460 -2.980 2.835 1.00 0.00 C ATOM 0 H MET A 46 71.036 1.769 4.748 1.00 0.00 H new ATOM 0 HA MET A 46 69.079 0.320 6.180 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.959 -0.353 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.751 -1.557 5.725 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.328 -0.873 3.861 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.300 0.554 3.562 1.00 0.00 H new ATOM 0 HE1 MET A 46 71.010 -3.764 2.314 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.295 -3.278 3.870 1.00 0.00 H new ATOM 0 HE3 MET A 46 69.499 -2.824 2.345 1.00 0.00 H new ATOM 663 N ARG A 47 71.825 0.690 7.947 1.00 0.00 N ATOM 664 CA ARG A 47 72.314 0.589 9.352 1.00 0.00 C ATOM 665 C ARG A 47 71.758 1.743 10.190 1.00 0.00 C ATOM 666 O ARG A 47 71.358 1.563 11.324 1.00 0.00 O ATOM 667 CB ARG A 47 73.836 0.683 9.250 1.00 0.00 C ATOM 668 CG ARG A 47 74.452 -0.686 9.542 1.00 0.00 C ATOM 669 CD ARG A 47 75.966 -0.541 9.707 1.00 0.00 C ATOM 670 NE ARG A 47 76.546 -1.155 8.481 1.00 0.00 N ATOM 671 CZ ARG A 47 77.805 -0.972 8.193 1.00 0.00 C ATOM 672 NH1 ARG A 47 78.630 -0.545 9.110 1.00 0.00 N ATOM 673 NH2 ARG A 47 78.240 -1.216 6.987 1.00 0.00 N ATOM 0 H ARG A 47 72.506 1.041 7.274 1.00 0.00 H new ATOM 0 HA ARG A 47 71.995 -0.335 9.835 1.00 0.00 H new ATOM 0 HB2 ARG A 47 74.124 1.018 8.254 1.00 0.00 H new ATOM 0 HB3 ARG A 47 74.214 1.422 9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 47 74.016 -1.107 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 47 74.229 -1.378 8.730 1.00 0.00 H new ATOM 0 HD2 ARG A 47 76.255 0.506 9.799 1.00 0.00 H new ATOM 0 HD3 ARG A 47 76.316 -1.048 10.606 1.00 0.00 H new ATOM 0 HE ARG A 47 75.959 -1.719 7.866 1.00 0.00 H new ATOM 0 HH11 ARG A 47 78.290 -0.354 10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 47 79.614 -0.402 8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 47 77.596 -1.550 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 47 79.224 -1.073 6.761 1.00 0.00 H new ATOM 687 N MET A 48 71.726 2.925 9.641 1.00 0.00 N ATOM 688 CA MET A 48 71.193 4.087 10.409 1.00 0.00 C ATOM 689 C MET A 48 69.746 3.818 10.831 1.00 0.00 C ATOM 690 O MET A 48 69.204 4.485 11.689 1.00 0.00 O ATOM 691 CB MET A 48 71.259 5.269 9.440 1.00 0.00 C ATOM 692 CG MET A 48 71.716 6.521 10.192 1.00 0.00 C ATOM 693 SD MET A 48 70.539 6.890 11.518 1.00 0.00 S ATOM 694 CE MET A 48 71.676 6.649 12.904 1.00 0.00 C ATOM 0 H MET A 48 72.045 3.138 8.696 1.00 0.00 H new ATOM 0 HA MET A 48 71.761 4.277 11.320 1.00 0.00 H new ATOM 0 HB2 MET A 48 71.950 5.048 8.627 1.00 0.00 H new ATOM 0 HB3 MET A 48 70.281 5.439 8.990 1.00 0.00 H new ATOM 0 HG2 MET A 48 72.712 6.366 10.607 1.00 0.00 H new ATOM 0 HG3 MET A 48 71.785 7.366 9.506 1.00 0.00 H new ATOM 0 HE1 MET A 48 71.342 7.241 13.756 1.00 0.00 H new ATOM 0 HE2 MET A 48 71.695 5.595 13.180 1.00 0.00 H new ATOM 0 HE3 MET A 48 72.677 6.966 12.613 1.00 0.00 H new ATOM 704 N LEU A 49 69.119 2.841 10.234 1.00 0.00 N ATOM 705 CA LEU A 49 67.709 2.525 10.599 1.00 0.00 C ATOM 706 C LEU A 49 67.674 1.472 11.712 1.00 0.00 C ATOM 707 O LEU A 49 66.796 1.473 12.552 1.00 0.00 O ATOM 708 CB LEU A 49 67.081 1.975 9.318 1.00 0.00 C ATOM 709 CG LEU A 49 66.647 3.139 8.424 1.00 0.00 C ATOM 710 CD1 LEU A 49 66.742 2.720 6.956 1.00 0.00 C ATOM 711 CD2 LEU A 49 65.201 3.520 8.751 1.00 0.00 C ATOM 0 H LEU A 49 69.523 2.248 9.509 1.00 0.00 H new ATOM 0 HA LEU A 49 67.173 3.398 10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 49 67.797 1.344 8.791 1.00 0.00 H new ATOM 0 HB3 LEU A 49 66.223 1.349 9.561 1.00 0.00 H new ATOM 0 HG LEU A 49 67.299 3.994 8.600 1.00 0.00 H new ATOM 0 HD11 LEU A 49 66.433 3.550 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 49 67.771 2.447 6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 49 66.090 1.865 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 49 64.890 4.349 8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 49 64.550 2.664 8.574 1.00 0.00 H new ATOM 0 HD23 LEU A 49 65.131 3.819 9.797 1.00 0.00 H new ATOM 723 N GLY A 50 68.623 0.576 11.726 1.00 0.00 N ATOM 724 CA GLY A 50 68.642 -0.470 12.787 1.00 0.00 C ATOM 725 C GLY A 50 69.038 -1.818 12.180 1.00 0.00 C ATOM 726 O GLY A 50 69.249 -2.787 12.883 1.00 0.00 O ATOM 0 H GLY A 50 69.385 0.523 11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 50 69.347 -0.193 13.571 1.00 0.00 H new ATOM 0 HA3 GLY A 50 67.660 -0.545 13.254 1.00 0.00 H new ATOM 730 N GLN A 51 69.141 -1.892 10.881 1.00 0.00 N ATOM 731 CA GLN A 51 69.522 -3.183 10.238 1.00 0.00 C ATOM 732 C GLN A 51 71.045 -3.293 10.136 1.00 0.00 C ATOM 733 O GLN A 51 71.773 -2.485 10.677 1.00 0.00 O ATOM 734 CB GLN A 51 68.893 -3.140 8.843 1.00 0.00 C ATOM 735 CG GLN A 51 67.472 -2.580 8.932 1.00 0.00 C ATOM 736 CD GLN A 51 66.727 -3.249 10.089 1.00 0.00 C ATOM 737 OE1 GLN A 51 66.575 -4.454 10.111 1.00 0.00 O ATOM 738 NE2 GLN A 51 66.254 -2.515 11.057 1.00 0.00 N ATOM 0 H GLN A 51 68.978 -1.117 10.238 1.00 0.00 H new ATOM 0 HA GLN A 51 69.177 -4.044 10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 51 69.497 -2.520 8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.873 -4.141 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.505 -1.501 9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.942 -2.755 7.996 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.381 -1.503 11.039 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.756 -2.953 11.833 1.00 0.00 H new ATOM 747 N ASN A 52 71.531 -4.290 9.448 1.00 0.00 N ATOM 748 CA ASN A 52 73.008 -4.451 9.318 1.00 0.00 C ATOM 749 C ASN A 52 73.345 -5.341 8.118 1.00 0.00 C ATOM 750 O ASN A 52 73.571 -6.525 8.266 1.00 0.00 O ATOM 751 CB ASN A 52 73.449 -5.120 10.620 1.00 0.00 C ATOM 752 CG ASN A 52 74.885 -4.706 10.945 1.00 0.00 C ATOM 753 OD1 ASN A 52 75.513 -3.999 10.184 1.00 0.00 O ATOM 754 ND2 ASN A 52 75.435 -5.121 12.054 1.00 0.00 N ATOM 0 H ASN A 52 70.972 -4.998 8.972 1.00 0.00 H new ATOM 0 HA ASN A 52 73.512 -3.498 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 52 72.783 -4.831 11.433 1.00 0.00 H new ATOM 0 HB3 ASN A 52 73.384 -6.204 10.524 1.00 0.00 H new ATOM 0 HD21 ASN A 52 76.392 -4.851 12.281 1.00 0.00 H new ATOM 0 HD22 ASN A 52 74.908 -5.715 12.694 1.00 0.00 H new ATOM 761 N PRO A 53 73.370 -4.733 6.962 1.00 0.00 N ATOM 762 CA PRO A 53 73.686 -5.475 5.717 1.00 0.00 C ATOM 763 C PRO A 53 75.179 -5.810 5.663 1.00 0.00 C ATOM 764 O PRO A 53 76.024 -4.950 5.812 1.00 0.00 O ATOM 765 CB PRO A 53 73.311 -4.492 4.611 1.00 0.00 C ATOM 766 CG PRO A 53 73.411 -3.140 5.242 1.00 0.00 C ATOM 767 CD PRO A 53 73.108 -3.312 6.709 1.00 0.00 C ATOM 0 HA PRO A 53 73.156 -6.424 5.635 1.00 0.00 H new ATOM 0 HB2 PRO A 53 73.986 -4.581 3.759 1.00 0.00 H new ATOM 0 HB3 PRO A 53 72.303 -4.681 4.241 1.00 0.00 H new ATOM 0 HG2 PRO A 53 74.408 -2.722 5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 53 72.707 -2.447 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 53 73.742 -2.674 7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 53 72.075 -3.050 6.936 1.00 0.00 H new ATOM 775 N THR A 54 75.511 -7.054 5.451 1.00 0.00 N ATOM 776 CA THR A 54 76.950 -7.437 5.387 1.00 0.00 C ATOM 777 C THR A 54 77.653 -6.658 4.272 1.00 0.00 C ATOM 778 O THR A 54 77.098 -6.433 3.214 1.00 0.00 O ATOM 779 CB THR A 54 76.948 -8.935 5.078 1.00 0.00 C ATOM 780 OG1 THR A 54 76.018 -9.201 4.039 1.00 0.00 O ATOM 781 CG2 THR A 54 76.553 -9.716 6.333 1.00 0.00 C ATOM 0 H THR A 54 74.850 -7.820 5.320 1.00 0.00 H new ATOM 0 HA THR A 54 77.480 -7.214 6.313 1.00 0.00 H new ATOM 0 HB THR A 54 77.944 -9.243 4.761 1.00 0.00 H new ATOM 0 HG1 THR A 54 76.017 -10.160 3.839 1.00 0.00 H new ATOM 0 HG21 THR A 54 76.552 -10.783 6.112 1.00 0.00 H new ATOM 0 HG22 THR A 54 77.269 -9.511 7.129 1.00 0.00 H new ATOM 0 HG23 THR A 54 75.557 -9.411 6.653 1.00 0.00 H new ATOM 789 N LYS A 55 78.868 -6.243 4.501 1.00 0.00 N ATOM 790 CA LYS A 55 79.603 -5.476 3.454 1.00 0.00 C ATOM 791 C LYS A 55 79.415 -6.134 2.085 1.00 0.00 C ATOM 792 O LYS A 55 79.108 -5.479 1.109 1.00 0.00 O ATOM 793 CB LYS A 55 81.070 -5.531 3.879 1.00 0.00 C ATOM 794 CG LYS A 55 81.828 -4.361 3.250 1.00 0.00 C ATOM 795 CD LYS A 55 83.312 -4.465 3.602 1.00 0.00 C ATOM 796 CE LYS A 55 84.156 -4.050 2.394 1.00 0.00 C ATOM 797 NZ LYS A 55 85.329 -3.337 2.971 1.00 0.00 N ATOM 0 H LYS A 55 79.384 -6.401 5.367 1.00 0.00 H new ATOM 0 HA LYS A 55 79.243 -4.451 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 55 81.147 -5.486 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 55 81.515 -6.476 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 55 81.699 -4.370 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 55 81.423 -3.416 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 55 83.540 -3.825 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 55 83.556 -5.486 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 55 84.468 -4.918 1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 55 83.592 -3.403 1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 85.955 -3.021 2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 85.002 -2.512 3.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 85.850 -3.980 3.601 1.00 0.00 H new ATOM 811 N GLU A 56 79.598 -7.423 2.005 1.00 0.00 N ATOM 812 CA GLU A 56 79.430 -8.118 0.696 1.00 0.00 C ATOM 813 C GLU A 56 78.033 -7.851 0.130 1.00 0.00 C ATOM 814 O GLU A 56 77.867 -7.607 -1.048 1.00 0.00 O ATOM 815 CB GLU A 56 79.605 -9.603 1.012 1.00 0.00 C ATOM 816 CG GLU A 56 81.013 -9.846 1.558 1.00 0.00 C ATOM 817 CD GLU A 56 80.951 -10.871 2.691 1.00 0.00 C ATOM 818 OE1 GLU A 56 80.276 -11.873 2.522 1.00 0.00 O ATOM 819 OE2 GLU A 56 81.580 -10.636 3.711 1.00 0.00 O ATOM 0 H GLU A 56 79.856 -8.025 2.787 1.00 0.00 H new ATOM 0 HA GLU A 56 80.146 -7.772 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 56 78.861 -9.921 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 56 79.444 -10.198 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 81.666 -10.206 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 56 81.440 -8.911 1.922 1.00 0.00 H new ATOM 826 N GLU A 57 77.028 -7.897 0.960 1.00 0.00 N ATOM 827 CA GLU A 57 75.644 -7.645 0.466 1.00 0.00 C ATOM 828 C GLU A 57 75.567 -6.271 -0.205 1.00 0.00 C ATOM 829 O GLU A 57 75.067 -6.132 -1.304 1.00 0.00 O ATOM 830 CB GLU A 57 74.762 -7.684 1.714 1.00 0.00 C ATOM 831 CG GLU A 57 74.102 -9.060 1.828 1.00 0.00 C ATOM 832 CD GLU A 57 72.679 -8.993 1.273 1.00 0.00 C ATOM 833 OE1 GLU A 57 72.536 -8.991 0.061 1.00 0.00 O ATOM 834 OE2 GLU A 57 71.756 -8.945 2.068 1.00 0.00 O ATOM 0 H GLU A 57 77.104 -8.098 1.957 1.00 0.00 H new ATOM 0 HA GLU A 57 75.329 -8.380 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 57 75.361 -7.481 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 57 74.000 -6.907 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 57 74.683 -9.800 1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 57 74.082 -9.380 2.870 1.00 0.00 H new ATOM 841 N LEU A 58 76.063 -5.254 0.447 1.00 0.00 N ATOM 842 CA LEU A 58 76.021 -3.889 -0.154 1.00 0.00 C ATOM 843 C LEU A 58 76.670 -3.905 -1.541 1.00 0.00 C ATOM 844 O LEU A 58 76.054 -3.556 -2.529 1.00 0.00 O ATOM 845 CB LEU A 58 76.823 -3.007 0.806 1.00 0.00 C ATOM 846 CG LEU A 58 76.222 -3.097 2.210 1.00 0.00 C ATOM 847 CD1 LEU A 58 76.817 -1.997 3.091 1.00 0.00 C ATOM 848 CD2 LEU A 58 74.705 -2.919 2.129 1.00 0.00 C ATOM 0 H LEU A 58 76.495 -5.309 1.369 1.00 0.00 H new ATOM 0 HA LEU A 58 75.002 -3.525 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.865 -3.326 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 58 76.812 -1.973 0.461 1.00 0.00 H new ATOM 0 HG LEU A 58 76.451 -4.072 2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 58 76.389 -2.061 4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.898 -2.123 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 58 76.588 -1.022 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 58 74.277 -2.983 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 58 74.476 -1.944 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 58 74.280 -3.702 1.502 1.00 0.00 H new ATOM 860 N ASP A 59 77.908 -4.310 -1.623 1.00 0.00 N ATOM 861 CA ASP A 59 78.594 -4.350 -2.948 1.00 0.00 C ATOM 862 C ASP A 59 77.730 -5.098 -3.966 1.00 0.00 C ATOM 863 O ASP A 59 77.609 -4.696 -5.106 1.00 0.00 O ATOM 864 CB ASP A 59 79.900 -5.104 -2.694 1.00 0.00 C ATOM 865 CG ASP A 59 80.802 -4.994 -3.925 1.00 0.00 C ATOM 866 OD1 ASP A 59 81.191 -3.885 -4.253 1.00 0.00 O ATOM 867 OD2 ASP A 59 81.088 -6.021 -4.519 1.00 0.00 O ATOM 0 H ASP A 59 78.474 -4.615 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 59 78.771 -3.354 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 59 80.406 -4.692 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 59 79.691 -6.151 -2.476 1.00 0.00 H new ATOM 872 N ALA A 60 77.130 -6.185 -3.563 1.00 0.00 N ATOM 873 CA ALA A 60 76.274 -6.956 -4.509 1.00 0.00 C ATOM 874 C ALA A 60 75.061 -6.119 -4.924 1.00 0.00 C ATOM 875 O ALA A 60 74.740 -6.009 -6.090 1.00 0.00 O ATOM 876 CB ALA A 60 75.832 -8.193 -3.728 1.00 0.00 C ATOM 0 H ALA A 60 77.195 -6.572 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 60 76.804 -7.222 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 60 75.196 -8.814 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 60 76.709 -8.764 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 60 75.275 -7.885 -2.843 1.00 0.00 H new ATOM 882 N ILE A 61 74.386 -5.525 -3.977 1.00 0.00 N ATOM 883 CA ILE A 61 73.197 -4.695 -4.322 1.00 0.00 C ATOM 884 C ILE A 61 73.638 -3.443 -5.086 1.00 0.00 C ATOM 885 O ILE A 61 73.086 -3.106 -6.114 1.00 0.00 O ATOM 886 CB ILE A 61 72.570 -4.315 -2.982 1.00 0.00 C ATOM 887 CG1 ILE A 61 71.819 -5.520 -2.409 1.00 0.00 C ATOM 888 CG2 ILE A 61 71.589 -3.159 -3.188 1.00 0.00 C ATOM 889 CD1 ILE A 61 72.500 -5.981 -1.118 1.00 0.00 C ATOM 0 H ILE A 61 74.606 -5.578 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 61 72.491 -5.227 -4.960 1.00 0.00 H new ATOM 0 HB ILE A 61 73.354 -4.010 -2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 61 70.781 -5.254 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 61 71.806 -6.332 -3.136 1.00 0.00 H new ATOM 0 HG21 ILE A 61 71.141 -2.887 -2.232 1.00 0.00 H new ATOM 0 HG22 ILE A 61 72.120 -2.300 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 61 70.806 -3.466 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 61 71.965 -6.839 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 61 73.531 -6.264 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 61 72.490 -5.169 -0.391 1.00 0.00 H new ATOM 901 N ILE A 62 74.631 -2.753 -4.593 1.00 0.00 N ATOM 902 CA ILE A 62 75.105 -1.527 -5.298 1.00 0.00 C ATOM 903 C ILE A 62 75.293 -1.824 -6.786 1.00 0.00 C ATOM 904 O ILE A 62 74.549 -1.352 -7.623 1.00 0.00 O ATOM 905 CB ILE A 62 76.442 -1.183 -4.645 1.00 0.00 C ATOM 906 CG1 ILE A 62 76.198 -0.627 -3.240 1.00 0.00 C ATOM 907 CG2 ILE A 62 77.167 -0.132 -5.489 1.00 0.00 C ATOM 908 CD1 ILE A 62 77.540 -0.387 -2.544 1.00 0.00 C ATOM 0 H ILE A 62 75.133 -2.984 -3.736 1.00 0.00 H new ATOM 0 HA ILE A 62 74.396 -0.703 -5.222 1.00 0.00 H new ATOM 0 HB ILE A 62 77.054 -2.082 -4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 62 75.635 0.305 -3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 62 75.596 -1.327 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 62 78.121 0.114 -5.023 1.00 0.00 H new ATOM 0 HG22 ILE A 62 77.343 -0.527 -6.490 1.00 0.00 H new ATOM 0 HG23 ILE A 62 76.554 0.767 -5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 62 77.365 0.009 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 62 78.086 -1.328 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 62 78.126 0.329 -3.120 1.00 0.00 H new ATOM 920 N GLU A 63 76.279 -2.611 -7.124 1.00 0.00 N ATOM 921 CA GLU A 63 76.508 -2.942 -8.559 1.00 0.00 C ATOM 922 C GLU A 63 75.174 -3.277 -9.233 1.00 0.00 C ATOM 923 O GLU A 63 74.929 -2.910 -10.365 1.00 0.00 O ATOM 924 CB GLU A 63 77.425 -4.166 -8.540 1.00 0.00 C ATOM 925 CG GLU A 63 77.698 -4.623 -9.975 1.00 0.00 C ATOM 926 CD GLU A 63 78.809 -5.674 -9.975 1.00 0.00 C ATOM 927 OE1 GLU A 63 79.044 -6.258 -8.930 1.00 0.00 O ATOM 928 OE2 GLU A 63 79.406 -5.877 -11.019 1.00 0.00 O ATOM 0 H GLU A 63 76.934 -3.038 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 63 76.949 -2.115 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 63 78.363 -3.923 -8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 76.961 -4.973 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 63 76.791 -5.038 -10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 63 77.989 -3.771 -10.590 1.00 0.00 H new ATOM 935 N GLU A 64 74.309 -3.965 -8.539 1.00 0.00 N ATOM 936 CA GLU A 64 72.987 -4.320 -9.129 1.00 0.00 C ATOM 937 C GLU A 64 72.151 -3.052 -9.331 1.00 0.00 C ATOM 938 O GLU A 64 71.764 -2.718 -10.434 1.00 0.00 O ATOM 939 CB GLU A 64 72.335 -5.244 -8.095 1.00 0.00 C ATOM 940 CG GLU A 64 70.813 -5.241 -8.274 1.00 0.00 C ATOM 941 CD GLU A 64 70.219 -6.489 -7.619 1.00 0.00 C ATOM 942 OE1 GLU A 64 70.946 -7.458 -7.467 1.00 0.00 O ATOM 943 OE2 GLU A 64 69.048 -6.455 -7.279 1.00 0.00 O ATOM 0 H GLU A 64 74.461 -4.297 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 64 73.074 -4.800 -10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 64 72.720 -6.257 -8.207 1.00 0.00 H new ATOM 0 HB3 GLU A 64 72.592 -4.915 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 64 70.385 -4.344 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 64 70.561 -5.219 -9.334 1.00 0.00 H new ATOM 950 N VAL A 65 71.873 -2.345 -8.271 1.00 0.00 N ATOM 951 CA VAL A 65 71.065 -1.100 -8.394 1.00 0.00 C ATOM 952 C VAL A 65 71.869 -0.021 -9.124 1.00 0.00 C ATOM 953 O VAL A 65 71.336 0.984 -9.552 1.00 0.00 O ATOM 954 CB VAL A 65 70.779 -0.674 -6.953 1.00 0.00 C ATOM 955 CG1 VAL A 65 70.133 -1.835 -6.194 1.00 0.00 C ATOM 956 CG2 VAL A 65 72.091 -0.286 -6.268 1.00 0.00 C ATOM 0 H VAL A 65 72.171 -2.576 -7.323 1.00 0.00 H new ATOM 0 HA VAL A 65 70.149 -1.253 -8.964 1.00 0.00 H new ATOM 0 HB VAL A 65 70.101 0.180 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 65 69.930 -1.530 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 65 69.199 -2.113 -6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 65 70.810 -2.689 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 65 71.889 0.018 -5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 65 72.768 -1.141 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 65 72.552 0.541 -6.807 1.00 0.00 H new ATOM 966 N ASP A 66 73.151 -0.223 -9.268 1.00 0.00 N ATOM 967 CA ASP A 66 73.992 0.788 -9.970 1.00 0.00 C ATOM 968 C ASP A 66 73.724 0.745 -11.477 1.00 0.00 C ATOM 969 O ASP A 66 74.523 0.247 -12.246 1.00 0.00 O ATOM 970 CB ASP A 66 75.434 0.376 -9.670 1.00 0.00 C ATOM 971 CG ASP A 66 76.388 1.478 -10.128 1.00 0.00 C ATOM 972 OD1 ASP A 66 75.914 2.566 -10.409 1.00 0.00 O ATOM 973 OD2 ASP A 66 77.578 1.217 -10.190 1.00 0.00 O ATOM 0 H ASP A 66 73.652 -1.045 -8.930 1.00 0.00 H new ATOM 0 HA ASP A 66 73.780 1.805 -9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 66 75.557 0.196 -8.602 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.670 -0.558 -10.180 1.00 0.00 H new ATOM 1030 N THR A 72 72.772 7.701 -7.979 1.00 0.00 N ATOM 1031 CA THR A 72 72.209 7.473 -6.618 1.00 0.00 C ATOM 1032 C THR A 72 71.199 6.322 -6.649 1.00 0.00 C ATOM 1033 O THR A 72 71.061 5.632 -7.638 1.00 0.00 O ATOM 1034 CB THR A 72 71.514 8.786 -6.251 1.00 0.00 C ATOM 1035 OG1 THR A 72 70.746 9.238 -7.357 1.00 0.00 O ATOM 1036 CG2 THR A 72 72.564 9.838 -5.892 1.00 0.00 C ATOM 0 HA THR A 72 72.977 7.202 -5.894 1.00 0.00 H new ATOM 0 HB THR A 72 70.859 8.624 -5.395 1.00 0.00 H new ATOM 0 HG1 THR A 72 71.097 8.843 -8.182 1.00 0.00 H new ATOM 0 HG21 THR A 72 72.068 10.773 -5.631 1.00 0.00 H new ATOM 0 HG22 THR A 72 73.152 9.490 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 72 73.221 10.002 -6.746 1.00 0.00 H new ATOM 1044 N ILE A 73 70.494 6.113 -5.571 1.00 0.00 N ATOM 1045 CA ILE A 73 69.494 5.007 -5.539 1.00 0.00 C ATOM 1046 C ILE A 73 68.080 5.578 -5.400 1.00 0.00 C ATOM 1047 O ILE A 73 67.861 6.559 -4.718 1.00 0.00 O ATOM 1048 CB ILE A 73 69.863 4.181 -4.308 1.00 0.00 C ATOM 1049 CG1 ILE A 73 68.862 3.036 -4.145 1.00 0.00 C ATOM 1050 CG2 ILE A 73 69.824 5.071 -3.065 1.00 0.00 C ATOM 1051 CD1 ILE A 73 69.322 1.832 -4.970 1.00 0.00 C ATOM 0 H ILE A 73 70.566 6.659 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 73 69.506 4.409 -6.450 1.00 0.00 H new ATOM 0 HB ILE A 73 70.866 3.774 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 73 68.778 2.759 -3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 73 67.872 3.356 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 73 70.087 4.481 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 73 70.536 5.888 -3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 73 68.821 5.479 -2.941 1.00 0.00 H new ATOM 0 HD11 ILE A 73 68.608 1.017 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 73 69.383 2.113 -6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 73 70.303 1.507 -4.624 1.00 0.00 H new ATOM 1063 N ASP A 74 67.118 4.972 -6.043 1.00 0.00 N ATOM 1064 CA ASP A 74 65.721 5.483 -5.945 1.00 0.00 C ATOM 1065 C ASP A 74 65.022 4.877 -4.727 1.00 0.00 C ATOM 1066 O ASP A 74 65.028 3.678 -4.529 1.00 0.00 O ATOM 1067 CB ASP A 74 65.040 5.025 -7.236 1.00 0.00 C ATOM 1068 CG ASP A 74 65.950 5.328 -8.428 1.00 0.00 C ATOM 1069 OD1 ASP A 74 66.668 6.312 -8.366 1.00 0.00 O ATOM 1070 OD2 ASP A 74 65.913 4.570 -9.383 1.00 0.00 O ATOM 0 H ASP A 74 67.239 4.147 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 74 65.685 6.566 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 74 64.828 3.957 -7.189 1.00 0.00 H new ATOM 0 HB3 ASP A 74 64.084 5.535 -7.356 1.00 0.00 H new ATOM 1075 N PHE A 75 64.420 5.693 -3.906 1.00 0.00 N ATOM 1076 CA PHE A 75 63.723 5.157 -2.703 1.00 0.00 C ATOM 1077 C PHE A 75 62.866 3.948 -3.087 1.00 0.00 C ATOM 1078 O PHE A 75 62.887 2.927 -2.429 1.00 0.00 O ATOM 1079 CB PHE A 75 62.845 6.303 -2.204 1.00 0.00 C ATOM 1080 CG PHE A 75 62.482 6.060 -0.758 1.00 0.00 C ATOM 1081 CD1 PHE A 75 61.549 5.069 -0.429 1.00 0.00 C ATOM 1082 CD2 PHE A 75 63.080 6.823 0.251 1.00 0.00 C ATOM 1083 CE1 PHE A 75 61.215 4.841 0.912 1.00 0.00 C ATOM 1084 CE2 PHE A 75 62.745 6.595 1.592 1.00 0.00 C ATOM 1085 CZ PHE A 75 61.813 5.604 1.921 1.00 0.00 C ATOM 0 H PHE A 75 64.381 6.706 -4.016 1.00 0.00 H new ATOM 0 HA PHE A 75 64.422 4.821 -1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 75 63.373 7.251 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 75 61.942 6.375 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 75 61.087 4.481 -1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 75 63.799 7.587 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 75 60.496 4.076 1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 75 63.206 7.184 2.372 1.00 0.00 H new ATOM 0 HZ PHE A 75 61.555 5.428 2.955 1.00 0.00 H new ATOM 1095 N GLU A 76 62.115 4.054 -4.150 1.00 0.00 N ATOM 1096 CA GLU A 76 61.262 2.907 -4.574 1.00 0.00 C ATOM 1097 C GLU A 76 62.116 1.645 -4.715 1.00 0.00 C ATOM 1098 O GLU A 76 61.699 0.559 -4.367 1.00 0.00 O ATOM 1099 CB GLU A 76 60.685 3.321 -5.929 1.00 0.00 C ATOM 1100 CG GLU A 76 61.825 3.596 -6.909 1.00 0.00 C ATOM 1101 CD GLU A 76 61.256 4.174 -8.207 1.00 0.00 C ATOM 1102 OE1 GLU A 76 60.814 5.311 -8.183 1.00 0.00 O ATOM 1103 OE2 GLU A 76 61.272 3.469 -9.203 1.00 0.00 O ATOM 0 H GLU A 76 62.055 4.883 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 76 60.477 2.683 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 76 60.040 2.533 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 76 60.067 4.211 -5.816 1.00 0.00 H new ATOM 0 HG2 GLU A 76 62.536 4.295 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 76 62.370 2.675 -7.117 1.00 0.00 H new ATOM 1110 N GLU A 77 63.312 1.783 -5.219 1.00 0.00 N ATOM 1111 CA GLU A 77 64.198 0.593 -5.380 1.00 0.00 C ATOM 1112 C GLU A 77 64.844 0.237 -4.040 1.00 0.00 C ATOM 1113 O GLU A 77 64.918 -0.913 -3.664 1.00 0.00 O ATOM 1114 CB GLU A 77 65.260 1.024 -6.392 1.00 0.00 C ATOM 1115 CG GLU A 77 66.063 -0.199 -6.843 1.00 0.00 C ATOM 1116 CD GLU A 77 65.918 -0.376 -8.355 1.00 0.00 C ATOM 1117 OE1 GLU A 77 64.904 0.045 -8.887 1.00 0.00 O ATOM 1118 OE2 GLU A 77 66.823 -0.930 -8.957 1.00 0.00 O ATOM 0 H GLU A 77 63.715 2.668 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 77 63.653 -0.289 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 77 64.787 1.499 -7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 77 65.924 1.764 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 77 67.113 -0.075 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 77 65.708 -1.091 -6.326 1.00 0.00 H new ATOM 1125 N PHE A 78 65.309 1.218 -3.313 1.00 0.00 N ATOM 1126 CA PHE A 78 65.943 0.928 -1.997 1.00 0.00 C ATOM 1127 C PHE A 78 64.907 0.342 -1.037 1.00 0.00 C ATOM 1128 O PHE A 78 65.235 -0.389 -0.124 1.00 0.00 O ATOM 1129 CB PHE A 78 66.439 2.282 -1.488 1.00 0.00 C ATOM 1130 CG PHE A 78 67.006 2.119 -0.099 1.00 0.00 C ATOM 1131 CD1 PHE A 78 66.164 2.207 1.015 1.00 0.00 C ATOM 1132 CD2 PHE A 78 68.375 1.878 0.075 1.00 0.00 C ATOM 1133 CE1 PHE A 78 66.690 2.055 2.304 1.00 0.00 C ATOM 1134 CE2 PHE A 78 68.900 1.725 1.364 1.00 0.00 C ATOM 1135 CZ PHE A 78 68.058 1.814 2.478 1.00 0.00 C ATOM 0 H PHE A 78 65.277 2.204 -3.573 1.00 0.00 H new ATOM 0 HA PHE A 78 66.753 0.203 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 78 67.201 2.678 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 78 65.620 3.001 -1.476 1.00 0.00 H new ATOM 0 HD1 PHE A 78 65.108 2.392 0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.025 1.810 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.040 2.124 3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.955 1.538 1.498 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.463 1.697 3.472 1.00 0.00 H new ATOM 1145 N LEU A 79 63.657 0.657 -1.239 1.00 0.00 N ATOM 1146 CA LEU A 79 62.599 0.118 -0.340 1.00 0.00 C ATOM 1147 C LEU A 79 62.825 -1.377 -0.101 1.00 0.00 C ATOM 1148 O LEU A 79 62.690 -1.867 1.003 1.00 0.00 O ATOM 1149 CB LEU A 79 61.286 0.353 -1.088 1.00 0.00 C ATOM 1150 CG LEU A 79 60.552 1.543 -0.468 1.00 0.00 C ATOM 1151 CD1 LEU A 79 59.654 2.195 -1.519 1.00 0.00 C ATOM 1152 CD2 LEU A 79 59.696 1.057 0.703 1.00 0.00 C ATOM 0 H LEU A 79 63.323 1.264 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 79 62.600 0.599 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 79 61.485 0.544 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 79 60.662 -0.539 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 79 61.279 2.272 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 79 59.132 3.043 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 79 60.263 2.540 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 79 58.926 1.467 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 79 59.172 1.904 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 79 58.969 0.328 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 79 60.336 0.593 1.453 1.00 0.00 H new ATOM 1164 N VAL A 80 63.172 -2.106 -1.127 1.00 0.00 N ATOM 1165 CA VAL A 80 63.411 -3.565 -0.954 1.00 0.00 C ATOM 1166 C VAL A 80 64.636 -3.789 -0.064 1.00 0.00 C ATOM 1167 O VAL A 80 64.673 -4.698 0.741 1.00 0.00 O ATOM 1168 CB VAL A 80 63.657 -4.102 -2.366 1.00 0.00 C ATOM 1169 CG1 VAL A 80 65.058 -3.708 -2.838 1.00 0.00 C ATOM 1170 CG2 VAL A 80 63.536 -5.628 -2.355 1.00 0.00 C ATOM 0 H VAL A 80 63.300 -1.754 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 80 62.573 -4.071 -0.475 1.00 0.00 H new ATOM 0 HB VAL A 80 62.918 -3.677 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.225 -4.094 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 80 65.147 -2.622 -2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 80 65.802 -4.127 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 80 63.711 -6.014 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 80 64.275 -6.047 -1.672 1.00 0.00 H new ATOM 0 HG23 VAL A 80 62.536 -5.911 -2.026 1.00 0.00 H new ATOM 1180 N MET A 81 65.637 -2.961 -0.193 1.00 0.00 N ATOM 1181 CA MET A 81 66.851 -3.128 0.654 1.00 0.00 C ATOM 1182 C MET A 81 66.467 -3.019 2.130 1.00 0.00 C ATOM 1183 O MET A 81 67.157 -3.514 3.000 1.00 0.00 O ATOM 1184 CB MET A 81 67.779 -1.981 0.248 1.00 0.00 C ATOM 1185 CG MET A 81 68.130 -2.110 -1.235 1.00 0.00 C ATOM 1186 SD MET A 81 68.772 -3.772 -1.562 1.00 0.00 S ATOM 1187 CE MET A 81 69.996 -3.806 -0.229 1.00 0.00 C ATOM 0 H MET A 81 65.666 -2.178 -0.847 1.00 0.00 H new ATOM 0 HA MET A 81 67.329 -4.098 0.517 1.00 0.00 H new ATOM 0 HB2 MET A 81 67.294 -1.023 0.436 1.00 0.00 H new ATOM 0 HB3 MET A 81 68.687 -2.003 0.851 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.247 -1.923 -1.846 1.00 0.00 H new ATOM 0 HG3 MET A 81 68.873 -1.361 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 81 70.902 -4.300 -0.580 1.00 0.00 H new ATOM 0 HE2 MET A 81 70.232 -2.786 0.074 1.00 0.00 H new ATOM 0 HE3 MET A 81 69.591 -4.353 0.623 1.00 0.00 H new ATOM 1197 N MET A 82 65.365 -2.382 2.417 1.00 0.00 N ATOM 1198 CA MET A 82 64.929 -2.249 3.835 1.00 0.00 C ATOM 1199 C MET A 82 64.355 -3.578 4.328 1.00 0.00 C ATOM 1200 O MET A 82 64.901 -4.214 5.208 1.00 0.00 O ATOM 1201 CB MET A 82 63.845 -1.171 3.821 1.00 0.00 C ATOM 1202 CG MET A 82 64.427 0.138 3.286 1.00 0.00 C ATOM 1203 SD MET A 82 63.083 1.311 2.974 1.00 0.00 S ATOM 1204 CE MET A 82 63.863 2.758 3.731 1.00 0.00 C ATOM 0 H MET A 82 64.748 -1.948 1.731 1.00 0.00 H new ATOM 0 HA MET A 82 65.752 -1.986 4.499 1.00 0.00 H new ATOM 0 HB2 MET A 82 63.009 -1.490 3.198 1.00 0.00 H new ATOM 0 HB3 MET A 82 63.454 -1.022 4.827 1.00 0.00 H new ATOM 0 HG2 MET A 82 65.130 0.557 4.006 1.00 0.00 H new ATOM 0 HG3 MET A 82 64.983 -0.047 2.367 1.00 0.00 H new ATOM 0 HE1 MET A 82 63.095 3.475 4.022 1.00 0.00 H new ATOM 0 HE2 MET A 82 64.424 2.449 4.613 1.00 0.00 H new ATOM 0 HE3 MET A 82 64.540 3.223 3.015 1.00 0.00 H new ATOM 1214 N VAL A 83 63.256 -4.005 3.766 1.00 0.00 N ATOM 1215 CA VAL A 83 62.651 -5.295 4.206 1.00 0.00 C ATOM 1216 C VAL A 83 63.600 -6.458 3.904 1.00 0.00 C ATOM 1217 O VAL A 83 63.733 -7.377 4.688 1.00 0.00 O ATOM 1218 CB VAL A 83 61.352 -5.436 3.404 1.00 0.00 C ATOM 1219 CG1 VAL A 83 61.623 -5.199 1.916 1.00 0.00 C ATOM 1220 CG2 VAL A 83 60.794 -6.847 3.600 1.00 0.00 C ATOM 0 H VAL A 83 62.753 -3.518 3.024 1.00 0.00 H new ATOM 0 HA VAL A 83 62.463 -5.309 5.279 1.00 0.00 H new ATOM 0 HB VAL A 83 60.631 -4.698 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 83 60.693 -5.302 1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 83 62.023 -4.195 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 83 62.346 -5.931 1.557 1.00 0.00 H new ATOM 0 HG21 VAL A 83 59.870 -6.955 3.032 1.00 0.00 H new ATOM 0 HG22 VAL A 83 61.522 -7.578 3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 83 60.592 -7.015 4.658 1.00 0.00 H new ATOM 1230 N ARG A 84 64.266 -6.427 2.781 1.00 0.00 N ATOM 1231 CA ARG A 84 65.205 -7.536 2.450 1.00 0.00 C ATOM 1232 C ARG A 84 66.245 -7.681 3.561 1.00 0.00 C ATOM 1233 O ARG A 84 66.636 -8.773 3.923 1.00 0.00 O ATOM 1234 CB ARG A 84 65.863 -7.121 1.134 1.00 0.00 C ATOM 1235 CG ARG A 84 64.819 -7.148 0.017 1.00 0.00 C ATOM 1236 CD ARG A 84 64.707 -8.566 -0.546 1.00 0.00 C ATOM 1237 NE ARG A 84 65.151 -8.454 -1.962 1.00 0.00 N ATOM 1238 CZ ARG A 84 66.242 -9.053 -2.354 1.00 0.00 C ATOM 1239 NH1 ARG A 84 66.349 -10.350 -2.248 1.00 0.00 N ATOM 1240 NH2 ARG A 84 67.227 -8.358 -2.852 1.00 0.00 N ATOM 0 H ARG A 84 64.201 -5.686 2.083 1.00 0.00 H new ATOM 0 HA ARG A 84 64.702 -8.499 2.358 1.00 0.00 H new ATOM 0 HB2 ARG A 84 66.288 -6.122 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 84 66.685 -7.796 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 84 63.853 -6.821 0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 84 65.100 -6.453 -0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 84 65.334 -9.262 0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 84 63.684 -8.937 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 84 64.602 -7.909 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 84 65.580 -10.895 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 84 67.202 -10.818 -2.554 1.00 0.00 H new ATOM 0 HH21 ARG A 84 67.145 -7.345 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 84 68.079 -8.828 -3.158 1.00 0.00 H new ATOM 1254 N GLN A 85 66.687 -6.586 4.116 1.00 0.00 N ATOM 1255 CA GLN A 85 67.690 -6.659 5.215 1.00 0.00 C ATOM 1256 C GLN A 85 66.971 -6.801 6.557 1.00 0.00 C ATOM 1257 O GLN A 85 67.485 -7.383 7.491 1.00 0.00 O ATOM 1258 CB GLN A 85 68.453 -5.336 5.148 1.00 0.00 C ATOM 1259 CG GLN A 85 69.624 -5.372 6.130 1.00 0.00 C ATOM 1260 CD GLN A 85 70.623 -6.445 5.695 1.00 0.00 C ATOM 1261 OE1 GLN A 85 70.988 -6.509 4.444 1.00 0.00 O flip ATOM 1262 NE2 GLN A 85 71.075 -7.235 6.500 1.00 0.00 N flip ATOM 0 H GLN A 85 66.397 -5.644 3.856 1.00 0.00 H new ATOM 0 HA GLN A 85 68.360 -7.513 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 85 68.819 -5.166 4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 85 67.787 -4.507 5.390 1.00 0.00 H new ATOM 0 HG2 GLN A 85 70.113 -4.398 6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 85 69.262 -5.584 7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 85 70.790 -7.186 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 85 71.739 -7.948 6.198 1.00 0.00 H new ATOM 1271 N MET A 86 65.778 -6.278 6.655 1.00 0.00 N ATOM 1272 CA MET A 86 65.019 -6.389 7.931 1.00 0.00 C ATOM 1273 C MET A 86 64.401 -7.783 8.046 1.00 0.00 C ATOM 1274 O MET A 86 64.075 -8.240 9.124 1.00 0.00 O ATOM 1275 CB MET A 86 63.926 -5.324 7.841 1.00 0.00 C ATOM 1276 CG MET A 86 64.314 -4.122 8.703 1.00 0.00 C ATOM 1277 SD MET A 86 63.014 -2.865 8.607 1.00 0.00 S ATOM 1278 CE MET A 86 62.169 -3.295 10.149 1.00 0.00 C ATOM 0 H MET A 86 65.298 -5.779 5.906 1.00 0.00 H new ATOM 0 HA MET A 86 65.653 -6.243 8.806 1.00 0.00 H new ATOM 0 HB2 MET A 86 63.790 -5.014 6.805 1.00 0.00 H new ATOM 0 HB3 MET A 86 62.974 -5.735 8.178 1.00 0.00 H new ATOM 0 HG2 MET A 86 64.457 -4.434 9.738 1.00 0.00 H new ATOM 0 HG3 MET A 86 65.262 -3.707 8.361 1.00 0.00 H new ATOM 0 HE1 MET A 86 61.316 -2.632 10.294 1.00 0.00 H new ATOM 0 HE2 MET A 86 61.822 -4.327 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 86 62.860 -3.186 10.985 1.00 0.00 H new ATOM 1288 N LYS A 87 64.244 -8.465 6.945 1.00 0.00 N ATOM 1289 CA LYS A 87 63.653 -9.832 6.999 1.00 0.00 C ATOM 1290 C LYS A 87 64.366 -10.651 8.075 1.00 0.00 C ATOM 1291 O LYS A 87 63.806 -11.561 8.653 1.00 0.00 O ATOM 1292 CB LYS A 87 63.900 -10.429 5.612 1.00 0.00 C ATOM 1293 CG LYS A 87 62.926 -9.813 4.605 1.00 0.00 C ATOM 1294 CD LYS A 87 62.078 -10.917 3.971 1.00 0.00 C ATOM 1295 CE LYS A 87 62.206 -10.848 2.448 1.00 0.00 C ATOM 1296 NZ LYS A 87 61.887 -12.223 1.973 1.00 0.00 N ATOM 0 H LYS A 87 64.498 -8.136 6.013 1.00 0.00 H new ATOM 0 HA LYS A 87 62.592 -9.823 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 87 64.928 -10.239 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 87 63.771 -11.511 5.643 1.00 0.00 H new ATOM 0 HG2 LYS A 87 62.283 -9.087 5.103 1.00 0.00 H new ATOM 0 HG3 LYS A 87 63.477 -9.275 3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 87 62.405 -11.893 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 87 61.034 -10.802 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 87 61.518 -10.115 2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 87 63.211 -10.550 2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 61.954 -12.256 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 62.562 -12.898 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 60.922 -12.476 2.266 1.00 0.00 H new ATOM 1310 N GLU A 88 65.599 -10.325 8.351 1.00 0.00 N ATOM 1311 CA GLU A 88 66.354 -11.073 9.395 1.00 0.00 C ATOM 1312 C GLU A 88 66.315 -10.302 10.717 1.00 0.00 C ATOM 1313 O GLU A 88 66.358 -10.878 11.786 1.00 0.00 O ATOM 1314 CB GLU A 88 67.785 -11.157 8.863 1.00 0.00 C ATOM 1315 CG GLU A 88 68.267 -12.609 8.915 1.00 0.00 C ATOM 1316 CD GLU A 88 68.969 -12.866 10.250 1.00 0.00 C ATOM 1317 OE1 GLU A 88 69.681 -11.985 10.701 1.00 0.00 O ATOM 1318 OE2 GLU A 88 68.781 -13.940 10.797 1.00 0.00 O ATOM 0 H GLU A 88 66.117 -9.572 7.898 1.00 0.00 H new ATOM 0 HA GLU A 88 65.935 -12.061 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 88 67.825 -10.786 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 88 68.443 -10.523 9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 88 67.422 -13.288 8.799 1.00 0.00 H new ATOM 0 HG3 GLU A 88 68.950 -12.806 8.089 1.00 0.00 H new ATOM 1325 N ASP A 89 66.231 -9.001 10.650 1.00 0.00 N ATOM 1326 CA ASP A 89 66.185 -8.188 11.900 1.00 0.00 C ATOM 1327 C ASP A 89 64.744 -8.069 12.401 1.00 0.00 C ATOM 1328 O ASP A 89 64.500 -7.770 13.553 1.00 0.00 O ATOM 1329 CB ASP A 89 66.726 -6.816 11.498 1.00 0.00 C ATOM 1330 CG ASP A 89 66.781 -5.909 12.729 1.00 0.00 C ATOM 1331 OD1 ASP A 89 67.423 -6.292 13.694 1.00 0.00 O ATOM 1332 OD2 ASP A 89 66.180 -4.849 12.686 1.00 0.00 O ATOM 0 H ASP A 89 66.192 -8.465 9.783 1.00 0.00 H new ATOM 0 HA ASP A 89 66.765 -8.637 12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 89 67.720 -6.918 11.064 1.00 0.00 H new ATOM 0 HB3 ASP A 89 66.089 -6.372 10.734 1.00 0.00 H new ATOM 1337 N ALA A 90 63.787 -8.299 11.544 1.00 0.00 N ATOM 1338 CA ALA A 90 62.362 -8.197 11.973 1.00 0.00 C ATOM 1339 C ALA A 90 61.854 -9.559 12.456 1.00 0.00 C ATOM 1340 O ALA A 90 62.469 -10.115 13.350 1.00 0.00 O ATOM 1341 CB ALA A 90 61.603 -7.752 10.723 1.00 0.00 C ATOM 1342 OXT ALA A 90 60.858 -10.021 11.923 1.00 0.00 O ATOM 0 H ALA A 90 63.929 -8.553 10.566 1.00 0.00 H new ATOM 0 HA ALA A 90 62.229 -7.499 12.800 1.00 0.00 H new ATOM 0 HB1 ALA A 90 60.543 -7.654 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 90 61.991 -6.791 10.385 1.00 0.00 H new ATOM 0 HB3 ALA A 90 61.733 -8.494 9.935 1.00 0.00 H new