USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 850 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 29 LYS NZ :NH3+ 166:sc= 0.00821 (180deg=0) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= 0.012 USER MOD Set 2.1: A 23 MET CE :methyl -118:sc= -4.57! (180deg=-7.16!) USER MOD Set 2.2: A 26 GLN :FLIP amide:sc= -16.8! C(o=-23!,f=-21!) USER MOD Set 3.1: A 16 THR OG1 : rot -98:sc= 1.39 USER MOD Set 3.2: A 84 TYR OH : rot 158:sc= -4! USER MOD Set 4.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 59 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.31) USER MOD Set 5.1: A 5 HIS : no HD1:sc= -0.191 X(o=-0.3,f=-0.21) USER MOD Set 5.2: A 7 TYR OH : rot 180:sc= -0.107 USER MOD Single : A 1 MET CE :methyl 172:sc= -2.47! (180deg=-2.81!) USER MOD Single : A 1 MET N :NH3+ -101:sc= -0.117! (180deg=-3.23!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.362 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.25) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -134:sc= -0.214 (180deg=-0.344) USER MOD Single : A 68 GLN :FLIP amide:sc= -2.19! C(o=-3.5!,f=-2.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0545) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ -118:sc= -0.118 (180deg=-0.563) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.395 16.439 5.602 1.00 0.00 N ATOM 2 CA MET A 1 9.699 15.747 5.825 1.00 0.00 C ATOM 3 C MET A 1 9.849 15.288 7.295 1.00 0.00 C ATOM 4 O MET A 1 10.912 15.447 7.906 1.00 0.00 O ATOM 5 CB MET A 1 10.857 16.704 5.466 1.00 0.00 C ATOM 6 CG MET A 1 10.577 17.569 4.266 1.00 0.00 C ATOM 7 SD MET A 1 9.454 18.998 4.564 1.00 0.00 S ATOM 8 CE MET A 1 9.756 19.259 6.329 1.00 0.00 C ATOM 0 H1 MET A 1 7.727 15.783 5.149 1.00 0.00 H new ATOM 0 H2 MET A 1 8.008 16.752 6.515 1.00 0.00 H new ATOM 0 H3 MET A 1 8.541 17.264 4.986 1.00 0.00 H new ATOM 0 HA MET A 1 9.729 14.864 5.187 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.067 17.344 6.323 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.756 16.118 5.278 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.525 17.948 3.884 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.144 16.946 3.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.265 20.178 6.650 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.357 18.417 6.895 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.828 19.340 6.507 1.00 0.00 H new ATOM 18 N GLU A 2 8.764 14.725 7.863 1.00 0.00 N ATOM 19 CA GLU A 2 8.730 14.098 9.175 1.00 0.00 C ATOM 20 C GLU A 2 7.679 12.975 9.286 1.00 0.00 C ATOM 21 O GLU A 2 6.821 12.982 10.135 1.00 0.00 O ATOM 22 CB GLU A 2 8.556 15.126 10.306 1.00 0.00 C ATOM 23 CG GLU A 2 9.036 14.570 11.658 1.00 0.00 C ATOM 24 CD GLU A 2 8.085 14.871 12.838 1.00 0.00 C ATOM 25 OE1 GLU A 2 7.099 15.639 12.616 1.00 0.00 O ATOM 26 OE2 GLU A 2 8.367 14.363 13.952 1.00 0.00 O ATOM 0 H GLU A 2 7.859 14.700 7.393 1.00 0.00 H new ATOM 0 HA GLU A 2 9.706 13.628 9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.115 16.030 10.065 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.506 15.410 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.160 13.490 11.571 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.018 14.986 11.882 1.00 0.00 H new ATOM 33 N LYS A 3 7.727 12.038 8.320 1.00 0.00 N ATOM 34 CA LYS A 3 7.105 10.685 8.456 1.00 0.00 C ATOM 35 C LYS A 3 5.686 10.645 7.894 1.00 0.00 C ATOM 36 O LYS A 3 4.803 11.421 8.270 1.00 0.00 O ATOM 37 CB LYS A 3 7.157 10.181 9.887 1.00 0.00 C ATOM 38 CG LYS A 3 7.601 8.707 9.955 1.00 0.00 C ATOM 39 CD LYS A 3 8.895 8.408 10.704 1.00 0.00 C ATOM 40 CE LYS A 3 9.781 7.490 9.813 1.00 0.00 C ATOM 41 NZ LYS A 3 10.903 6.979 10.603 1.00 0.00 N ATOM 0 H LYS A 3 8.192 12.185 7.424 1.00 0.00 H new ATOM 0 HA LYS A 3 7.703 10.003 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.847 10.796 10.465 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.174 10.287 10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.800 8.133 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.707 8.338 8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.422 9.334 10.935 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.678 7.919 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.189 6.662 9.424 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.152 8.048 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.496 6.365 10.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.472 7.776 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.539 6.432 11.410 1.00 0.00 H new ATOM 55 N LYS A 4 5.467 9.723 6.913 1.00 0.00 N ATOM 56 CA LYS A 4 4.157 9.395 6.344 1.00 0.00 C ATOM 57 C LYS A 4 3.907 7.850 6.314 1.00 0.00 C ATOM 58 O LYS A 4 4.786 7.090 6.692 1.00 0.00 O ATOM 59 CB LYS A 4 3.988 9.964 4.921 1.00 0.00 C ATOM 60 CG LYS A 4 3.311 11.379 5.008 1.00 0.00 C ATOM 61 CD LYS A 4 3.517 12.172 3.655 1.00 0.00 C ATOM 62 CE LYS A 4 4.489 13.313 3.910 1.00 0.00 C ATOM 63 NZ LYS A 4 3.808 14.589 4.203 1.00 0.00 N ATOM 0 H LYS A 4 6.225 9.183 6.496 1.00 0.00 H new ATOM 0 HA LYS A 4 3.419 9.860 6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.958 10.041 4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.378 9.292 4.318 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.246 11.268 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.738 11.944 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.905 11.509 2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.564 12.559 3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.137 13.052 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.130 13.440 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.518 15.331 4.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.209 14.856 3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.217 14.480 5.052 1.00 0.00 H new ATOM 77 N HIS A 5 2.684 7.486 5.907 1.00 0.00 N ATOM 78 CA HIS A 5 2.133 6.126 6.023 1.00 0.00 C ATOM 79 C HIS A 5 1.733 5.537 4.647 1.00 0.00 C ATOM 80 O HIS A 5 0.740 5.929 4.041 1.00 0.00 O ATOM 81 CB HIS A 5 0.918 6.120 6.999 1.00 0.00 C ATOM 82 CG HIS A 5 1.297 6.539 8.419 1.00 0.00 C ATOM 83 ND1 HIS A 5 0.528 7.260 9.283 1.00 0.00 N ATOM 84 CD2 HIS A 5 2.491 6.313 9.026 1.00 0.00 C ATOM 85 CE1 HIS A 5 1.262 7.490 10.372 1.00 0.00 C ATOM 86 NE2 HIS A 5 2.406 6.833 10.261 1.00 0.00 N ATOM 0 H HIS A 5 2.033 8.144 5.477 1.00 0.00 H new ATOM 0 HA HIS A 5 2.918 5.487 6.426 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.149 6.793 6.619 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.483 5.121 7.024 1.00 0.00 H new ATOM 0 HD2 HIS A 5 3.346 5.811 8.597 1.00 0.00 H new ATOM 0 HE1 HIS A 5 0.971 8.110 11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 5 3.108 6.737 10.994 1.00 0.00 H new ATOM 94 N ILE A 6 2.525 4.523 4.234 1.00 0.00 N ATOM 95 CA ILE A 6 2.296 3.598 3.100 1.00 0.00 C ATOM 96 C ILE A 6 1.689 2.278 3.544 1.00 0.00 C ATOM 97 O ILE A 6 2.359 1.446 4.218 1.00 0.00 O ATOM 98 CB ILE A 6 3.602 3.442 2.246 1.00 0.00 C ATOM 99 CG1 ILE A 6 3.997 4.813 1.611 1.00 0.00 C ATOM 100 CG2 ILE A 6 3.605 2.297 1.266 1.00 0.00 C ATOM 101 CD1 ILE A 6 5.318 4.832 0.852 1.00 0.00 C ATOM 0 H ILE A 6 3.400 4.314 4.716 1.00 0.00 H new ATOM 0 HA ILE A 6 1.545 4.038 2.444 1.00 0.00 H new ATOM 0 HB ILE A 6 4.387 3.146 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.203 5.120 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.043 5.560 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.553 2.281 0.729 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.476 1.358 1.804 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.788 2.424 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.494 5.831 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.130 4.563 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.276 4.116 0.031 1.00 0.00 H new ATOM 113 N TYR A 7 0.417 2.061 3.184 1.00 0.00 N ATOM 114 CA TYR A 7 -0.503 1.130 3.804 1.00 0.00 C ATOM 115 C TYR A 7 -1.095 0.190 2.708 1.00 0.00 C ATOM 116 O TYR A 7 -1.443 0.610 1.621 1.00 0.00 O ATOM 117 CB TYR A 7 -1.634 1.837 4.588 1.00 0.00 C ATOM 118 CG TYR A 7 -1.253 2.308 5.995 1.00 0.00 C ATOM 119 CD1 TYR A 7 0.034 2.114 6.530 1.00 0.00 C ATOM 120 CD2 TYR A 7 -2.261 2.876 6.796 1.00 0.00 C ATOM 121 CE1 TYR A 7 0.409 2.802 7.682 1.00 0.00 C ATOM 122 CE2 TYR A 7 -1.930 3.485 8.005 1.00 0.00 C ATOM 123 CZ TYR A 7 -0.577 3.487 8.410 1.00 0.00 C ATOM 124 OH TYR A 7 -0.215 4.182 9.508 1.00 0.00 O ATOM 0 H TYR A 7 -0.011 2.565 2.407 1.00 0.00 H new ATOM 0 HA TYR A 7 0.055 0.546 4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -1.970 2.699 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.481 1.156 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.726 1.437 6.051 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.291 2.840 6.474 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.438 2.808 8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -2.691 3.945 8.618 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.006 4.603 9.904 1.00 0.00 H new ATOM 134 N LEU A 8 -1.051 -1.132 3.063 1.00 0.00 N ATOM 135 CA LEU A 8 -1.060 -2.260 2.054 1.00 0.00 C ATOM 136 C LEU A 8 -2.163 -3.248 2.498 1.00 0.00 C ATOM 137 O LEU A 8 -1.969 -4.071 3.390 1.00 0.00 O ATOM 138 CB LEU A 8 0.327 -2.974 2.320 1.00 0.00 C ATOM 139 CG LEU A 8 1.583 -2.399 1.639 1.00 0.00 C ATOM 140 CD1 LEU A 8 2.874 -3.000 2.224 1.00 0.00 C ATOM 141 CD2 LEU A 8 1.506 -2.488 0.113 1.00 0.00 C ATOM 0 H LEU A 8 -1.009 -1.449 4.032 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.215 -1.943 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.501 -2.973 3.396 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.230 -4.016 2.014 1.00 0.00 H new ATOM 0 HG LEU A 8 1.618 -1.333 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.738 -2.569 1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.929 -2.776 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.870 -4.080 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.414 -2.070 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.407 -3.531 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.642 -1.926 -0.241 1.00 0.00 H new ATOM 153 N PHE A 9 -3.359 -3.133 1.883 1.00 0.00 N ATOM 154 CA PHE A 9 -4.686 -3.487 2.402 1.00 0.00 C ATOM 155 C PHE A 9 -5.261 -4.688 1.643 1.00 0.00 C ATOM 156 O PHE A 9 -5.562 -4.590 0.456 1.00 0.00 O ATOM 157 CB PHE A 9 -5.568 -2.209 2.267 1.00 0.00 C ATOM 158 CG PHE A 9 -5.151 -1.006 3.125 1.00 0.00 C ATOM 159 CD1 PHE A 9 -4.752 -1.244 4.480 1.00 0.00 C ATOM 160 CD2 PHE A 9 -5.154 0.320 2.606 1.00 0.00 C ATOM 161 CE1 PHE A 9 -4.848 -0.167 5.380 1.00 0.00 C ATOM 162 CE2 PHE A 9 -4.987 1.403 3.506 1.00 0.00 C ATOM 163 CZ PHE A 9 -4.759 1.142 4.870 1.00 0.00 C ATOM 0 H PHE A 9 -3.420 -2.760 0.936 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.644 -3.797 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.568 -1.901 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.595 -2.472 2.521 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.392 -2.211 4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.281 0.497 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.987 -0.340 6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.034 2.421 3.147 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.512 1.957 5.534 1.00 0.00 H new ATOM 173 N SER A 10 -5.263 -5.907 2.273 1.00 0.00 N ATOM 174 CA SER A 10 -5.113 -7.203 1.594 1.00 0.00 C ATOM 175 C SER A 10 -6.251 -8.190 1.940 1.00 0.00 C ATOM 176 O SER A 10 -7.194 -7.927 2.656 1.00 0.00 O ATOM 177 CB SER A 10 -3.769 -7.796 2.017 1.00 0.00 C ATOM 178 OG SER A 10 -3.925 -8.998 2.824 1.00 0.00 O ATOM 0 H SER A 10 -5.372 -5.998 3.283 1.00 0.00 H new ATOM 0 HA SER A 10 -5.159 -7.040 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.182 -8.031 1.129 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.208 -7.052 2.582 1.00 0.00 H new ATOM 0 HG SER A 10 -3.042 -9.344 3.070 1.00 0.00 H new ATOM 184 N SER A 11 -6.074 -9.431 1.355 1.00 0.00 N ATOM 185 CA SER A 11 -6.875 -10.615 1.646 1.00 0.00 C ATOM 186 C SER A 11 -5.946 -11.836 2.030 1.00 0.00 C ATOM 187 O SER A 11 -6.456 -12.879 2.407 1.00 0.00 O ATOM 188 CB SER A 11 -7.701 -11.016 0.440 1.00 0.00 C ATOM 189 OG SER A 11 -9.096 -10.868 0.570 1.00 0.00 O ATOM 0 H SER A 11 -5.349 -9.606 0.659 1.00 0.00 H new ATOM 0 HA SER A 11 -7.531 -10.366 2.480 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.371 -10.425 -0.414 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.486 -12.059 0.208 1.00 0.00 H new ATOM 0 HG SER A 11 -9.534 -11.151 -0.260 1.00 0.00 H new ATOM 195 N ALA A 12 -4.638 -11.587 1.955 1.00 0.00 N ATOM 196 CA ALA A 12 -3.590 -12.611 1.922 1.00 0.00 C ATOM 197 C ALA A 12 -3.643 -13.536 3.146 1.00 0.00 C ATOM 198 O ALA A 12 -4.103 -14.697 3.103 1.00 0.00 O ATOM 199 CB ALA A 12 -2.202 -11.940 1.831 1.00 0.00 C ATOM 0 H ALA A 12 -4.266 -10.638 1.914 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.763 -13.227 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.428 -12.707 1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.147 -11.340 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.050 -11.299 2.699 1.00 0.00 H new ATOM 205 N GLY A 13 -3.071 -13.038 4.275 1.00 0.00 N ATOM 206 CA GLY A 13 -2.542 -13.855 5.352 1.00 0.00 C ATOM 207 C GLY A 13 -0.985 -13.927 5.387 1.00 0.00 C ATOM 208 O GLY A 13 -0.403 -14.114 6.444 1.00 0.00 O ATOM 0 H GLY A 13 -2.973 -12.037 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.899 -13.460 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.940 -14.865 5.257 1.00 0.00 H new ATOM 212 N MET A 14 -0.373 -13.837 4.180 1.00 0.00 N ATOM 213 CA MET A 14 1.071 -13.769 3.964 1.00 0.00 C ATOM 214 C MET A 14 1.425 -13.980 2.476 1.00 0.00 C ATOM 215 O MET A 14 1.778 -15.043 2.003 1.00 0.00 O ATOM 216 CB MET A 14 1.785 -14.840 4.822 1.00 0.00 C ATOM 217 CG MET A 14 2.531 -14.249 5.995 1.00 0.00 C ATOM 218 SD MET A 14 1.930 -14.729 7.657 1.00 0.00 S ATOM 219 CE MET A 14 2.623 -13.401 8.634 1.00 0.00 C ATOM 0 H MET A 14 -0.901 -13.810 3.308 1.00 0.00 H new ATOM 0 HA MET A 14 1.408 -12.776 4.260 1.00 0.00 H new ATOM 0 HB2 MET A 14 1.049 -15.555 5.189 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.483 -15.395 4.195 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.580 -14.535 5.914 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.490 -13.163 5.916 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.351 -13.539 9.681 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.709 -13.406 8.537 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.232 -12.447 8.280 1.00 0.00 H new ATOM 229 N SER A 15 1.243 -12.870 1.703 1.00 0.00 N ATOM 230 CA SER A 15 1.953 -12.603 0.431 1.00 0.00 C ATOM 231 C SER A 15 2.214 -11.064 0.319 1.00 0.00 C ATOM 232 O SER A 15 2.299 -10.496 -0.767 1.00 0.00 O ATOM 233 CB SER A 15 1.177 -13.107 -0.750 1.00 0.00 C ATOM 234 OG SER A 15 -0.017 -13.838 -0.358 1.00 0.00 O ATOM 0 H SER A 15 0.588 -12.130 1.956 1.00 0.00 H new ATOM 0 HA SER A 15 2.903 -13.138 0.431 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.893 -12.265 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.815 -13.755 -1.351 1.00 0.00 H new ATOM 0 HG SER A 15 -0.490 -14.145 -1.159 1.00 0.00 H new ATOM 240 N THR A 16 2.412 -10.455 1.517 1.00 0.00 N ATOM 241 CA THR A 16 2.296 -9.010 1.806 1.00 0.00 C ATOM 242 C THR A 16 3.413 -8.571 2.804 1.00 0.00 C ATOM 243 O THR A 16 4.303 -7.787 2.455 1.00 0.00 O ATOM 244 CB THR A 16 0.960 -8.605 2.419 1.00 0.00 C ATOM 245 OG1 THR A 16 -0.014 -9.674 2.298 1.00 0.00 O ATOM 246 CG2 THR A 16 0.457 -7.216 1.961 1.00 0.00 C ATOM 0 H THR A 16 2.670 -10.990 2.346 1.00 0.00 H new ATOM 0 HA THR A 16 2.390 -8.517 0.838 1.00 0.00 H new ATOM 0 HB THR A 16 1.124 -8.463 3.487 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.589 -9.507 1.522 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.498 -6.999 2.439 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.185 -6.455 2.242 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.329 -7.214 0.879 1.00 0.00 H new ATOM 254 N SER A 17 3.268 -9.057 4.029 1.00 0.00 N ATOM 255 CA SER A 17 4.022 -8.630 5.215 1.00 0.00 C ATOM 256 C SER A 17 5.451 -8.184 4.933 1.00 0.00 C ATOM 257 O SER A 17 5.969 -7.204 5.515 1.00 0.00 O ATOM 258 CB SER A 17 3.991 -9.757 6.237 1.00 0.00 C ATOM 259 OG SER A 17 4.932 -9.590 7.304 1.00 0.00 O ATOM 0 H SER A 17 2.593 -9.793 4.240 1.00 0.00 H new ATOM 0 HA SER A 17 3.533 -7.737 5.603 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.988 -9.828 6.657 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.192 -10.701 5.731 1.00 0.00 H new ATOM 0 HG SER A 17 4.860 -10.345 7.925 1.00 0.00 H new ATOM 265 N LEU A 18 6.133 -8.896 3.984 1.00 0.00 N ATOM 266 CA LEU A 18 7.573 -8.815 3.705 1.00 0.00 C ATOM 267 C LEU A 18 7.813 -7.739 2.612 1.00 0.00 C ATOM 268 O LEU A 18 8.925 -7.257 2.458 1.00 0.00 O ATOM 269 CB LEU A 18 7.934 -10.206 3.121 1.00 0.00 C ATOM 270 CG LEU A 18 8.122 -11.401 4.074 1.00 0.00 C ATOM 271 CD1 LEU A 18 7.069 -11.500 5.219 1.00 0.00 C ATOM 272 CD2 LEU A 18 8.203 -12.726 3.243 1.00 0.00 C ATOM 0 H LEU A 18 5.660 -9.565 3.376 1.00 0.00 H new ATOM 0 HA LEU A 18 8.160 -8.559 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.153 -10.475 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.857 -10.092 2.553 1.00 0.00 H new ATOM 0 HG LEU A 18 9.063 -11.232 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.284 -12.372 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.113 -10.600 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.072 -11.597 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.336 -13.571 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.282 -12.856 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.048 -12.674 2.556 1.00 0.00 H new ATOM 284 N LEU A 19 6.747 -7.387 1.850 1.00 0.00 N ATOM 285 CA LEU A 19 6.663 -6.228 0.952 1.00 0.00 C ATOM 286 C LEU A 19 6.816 -4.939 1.906 1.00 0.00 C ATOM 287 O LEU A 19 7.565 -4.081 1.570 1.00 0.00 O ATOM 288 CB LEU A 19 5.202 -6.157 0.444 1.00 0.00 C ATOM 289 CG LEU A 19 4.764 -7.063 -0.695 1.00 0.00 C ATOM 290 CD1 LEU A 19 3.228 -7.148 -0.908 1.00 0.00 C ATOM 291 CD2 LEU A 19 5.486 -6.811 -2.032 1.00 0.00 C ATOM 0 H LEU A 19 5.887 -7.935 1.852 1.00 0.00 H new ATOM 0 HA LEU A 19 7.393 -6.280 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.550 -6.361 1.293 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.012 -5.129 0.136 1.00 0.00 H new ATOM 0 HG LEU A 19 5.086 -8.042 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.013 -7.817 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.756 -7.532 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.836 -6.155 -1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.109 -7.503 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.303 -5.787 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.557 -6.965 -1.902 1.00 0.00 H new ATOM 303 N VAL A 20 5.993 -4.962 2.963 1.00 0.00 N ATOM 304 CA VAL A 20 6.131 -3.959 4.075 1.00 0.00 C ATOM 305 C VAL A 20 7.593 -4.017 4.550 1.00 0.00 C ATOM 306 O VAL A 20 8.413 -3.153 4.296 1.00 0.00 O ATOM 307 CB VAL A 20 5.050 -4.187 5.119 1.00 0.00 C ATOM 308 CG1 VAL A 20 3.731 -4.849 4.600 1.00 0.00 C ATOM 309 CG2 VAL A 20 5.493 -4.836 6.443 1.00 0.00 C ATOM 0 H VAL A 20 5.238 -5.637 3.089 1.00 0.00 H new ATOM 0 HA VAL A 20 5.953 -2.929 3.766 1.00 0.00 H new ATOM 0 HB VAL A 20 4.817 -3.149 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.031 -4.964 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.284 -4.217 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.957 -5.828 4.177 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.631 -4.944 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.921 -5.818 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.241 -4.206 6.925 1.00 0.00 H new ATOM 319 N SER A 21 7.901 -5.113 5.284 1.00 0.00 N ATOM 320 CA SER A 21 9.189 -5.298 5.977 1.00 0.00 C ATOM 321 C SER A 21 10.399 -5.154 5.027 1.00 0.00 C ATOM 322 O SER A 21 11.557 -4.988 5.464 1.00 0.00 O ATOM 323 CB SER A 21 9.187 -6.654 6.651 1.00 0.00 C ATOM 324 OG SER A 21 8.371 -6.599 7.871 1.00 0.00 O ATOM 0 H SER A 21 7.257 -5.894 5.410 1.00 0.00 H new ATOM 0 HA SER A 21 9.296 -4.510 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.791 -7.408 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.207 -6.950 6.897 1.00 0.00 H new ATOM 0 HG SER A 21 8.370 -7.478 8.304 1.00 0.00 H new ATOM 330 N LYS A 22 10.083 -5.152 3.730 1.00 0.00 N ATOM 331 CA LYS A 22 11.141 -4.816 2.698 1.00 0.00 C ATOM 332 C LYS A 22 11.014 -3.237 2.473 1.00 0.00 C ATOM 333 O LYS A 22 11.944 -2.531 2.597 1.00 0.00 O ATOM 334 CB LYS A 22 10.889 -5.517 1.419 1.00 0.00 C ATOM 335 CG LYS A 22 11.445 -4.746 0.172 1.00 0.00 C ATOM 336 CD LYS A 22 10.985 -5.412 -1.137 1.00 0.00 C ATOM 337 CE LYS A 22 11.254 -6.947 -1.018 1.00 0.00 C ATOM 338 NZ LYS A 22 12.698 -7.178 -0.883 1.00 0.00 N ATOM 0 H LYS A 22 9.159 -5.364 3.354 1.00 0.00 H new ATOM 0 HA LYS A 22 12.131 -5.121 3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.344 -6.507 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.816 -5.664 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.103 -3.711 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.534 -4.723 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.925 -5.223 -1.309 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.525 -4.995 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.727 -7.354 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.872 -7.464 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.905 -8.185 -1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.208 -6.605 -1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.005 -6.907 0.073 1.00 0.00 H new ATOM 352 N MET A 23 9.763 -2.944 2.030 1.00 0.00 N ATOM 353 CA MET A 23 9.334 -1.510 1.837 1.00 0.00 C ATOM 354 C MET A 23 9.980 -0.646 2.939 1.00 0.00 C ATOM 355 O MET A 23 10.799 0.225 2.711 1.00 0.00 O ATOM 356 CB MET A 23 7.812 -1.455 1.953 1.00 0.00 C ATOM 357 CG MET A 23 7.090 -1.516 0.604 1.00 0.00 C ATOM 358 SD MET A 23 5.708 -0.288 0.476 1.00 0.00 S ATOM 359 CE MET A 23 6.640 1.203 0.149 1.00 0.00 C ATOM 0 H MET A 23 9.052 -3.640 1.805 1.00 0.00 H new ATOM 0 HA MET A 23 9.645 -1.134 0.862 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.473 -2.284 2.574 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.528 -0.536 2.466 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.808 -1.334 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.693 -2.520 0.454 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.478 1.918 0.956 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.701 0.962 0.085 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.310 1.639 -0.794 1.00 0.00 H new ATOM 369 N ARG A 24 9.516 -0.902 4.198 1.00 0.00 N ATOM 370 CA ARG A 24 10.209 -0.582 5.445 1.00 0.00 C ATOM 371 C ARG A 24 11.733 -0.463 5.231 1.00 0.00 C ATOM 372 O ARG A 24 12.305 0.619 5.337 1.00 0.00 O ATOM 373 CB ARG A 24 9.894 -1.628 6.515 1.00 0.00 C ATOM 374 CG ARG A 24 8.463 -1.595 7.067 1.00 0.00 C ATOM 375 CD ARG A 24 8.453 -1.730 8.630 1.00 0.00 C ATOM 376 NE ARG A 24 7.134 -1.358 9.135 1.00 0.00 N ATOM 377 CZ ARG A 24 6.810 -0.945 10.393 1.00 0.00 C ATOM 378 NH1 ARG A 24 7.753 -0.894 11.355 1.00 0.00 N ATOM 379 NH2 ARG A 24 5.555 -0.572 10.708 1.00 0.00 N ATOM 0 H ARG A 24 8.615 -1.353 4.358 1.00 0.00 H new ATOM 0 HA ARG A 24 9.848 0.388 5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.082 -2.617 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.588 -1.495 7.345 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.980 -0.662 6.777 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.882 -2.405 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.692 -2.753 8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.218 -1.088 9.067 1.00 0.00 H new ATOM 0 HE ARG A 24 6.365 -1.414 8.468 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.713 -1.165 11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.506 -0.584 12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.823 -0.595 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.337 -0.267 11.656 1.00 0.00 H new ATOM 393 N ALA A 25 12.398 -1.621 5.021 1.00 0.00 N ATOM 394 CA ALA A 25 13.840 -1.749 4.775 1.00 0.00 C ATOM 395 C ALA A 25 14.381 -0.812 3.703 1.00 0.00 C ATOM 396 O ALA A 25 15.352 -0.074 3.913 1.00 0.00 O ATOM 397 CB ALA A 25 14.211 -3.211 4.471 1.00 0.00 C ATOM 0 H ALA A 25 11.921 -2.523 5.019 1.00 0.00 H new ATOM 0 HA ALA A 25 14.326 -1.437 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 25 15.284 -3.284 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.941 -3.839 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.671 -3.547 3.586 1.00 0.00 H new ATOM 403 N GLN A 26 13.791 -0.870 2.490 1.00 0.00 N ATOM 404 CA GLN A 26 14.140 -0.160 1.263 1.00 0.00 C ATOM 405 C GLN A 26 13.817 1.326 1.349 1.00 0.00 C ATOM 406 O GLN A 26 14.674 2.193 1.013 1.00 0.00 O ATOM 407 CB GLN A 26 13.403 -0.880 0.082 1.00 0.00 C ATOM 408 CG GLN A 26 11.897 -0.899 0.213 1.00 0.00 C ATOM 409 CD GLN A 26 11.312 0.432 -0.445 1.00 0.00 C ATOM 410 OE1 GLN A 26 10.280 0.981 0.254 1.00 0.00 O flip ATOM 411 NE2 GLN A 26 11.728 0.934 -1.459 1.00 0.00 N flip ATOM 0 H GLN A 26 12.983 -1.475 2.342 1.00 0.00 H new ATOM 0 HA GLN A 26 15.216 -0.195 1.095 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.669 -0.387 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.764 -1.906 0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.485 -1.778 -0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.609 -0.960 1.263 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.502 0.501 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.306 1.792 -1.814 1.00 0.00 H new ATOM 420 N ALA A 27 12.596 1.680 1.792 1.00 0.00 N ATOM 421 CA ALA A 27 12.134 3.060 1.948 1.00 0.00 C ATOM 422 C ALA A 27 12.864 3.801 3.087 1.00 0.00 C ATOM 423 O ALA A 27 13.056 5.010 3.056 1.00 0.00 O ATOM 424 CB ALA A 27 10.627 3.126 2.136 1.00 0.00 C ATOM 0 H ALA A 27 11.891 0.992 2.056 1.00 0.00 H new ATOM 0 HA ALA A 27 12.383 3.575 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 27 10.320 4.166 2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.133 2.694 1.266 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.347 2.566 3.028 1.00 0.00 H new ATOM 430 N GLU A 28 13.207 3.020 4.147 1.00 0.00 N ATOM 431 CA GLU A 28 14.091 3.474 5.245 1.00 0.00 C ATOM 432 C GLU A 28 15.557 3.519 4.799 1.00 0.00 C ATOM 433 O GLU A 28 16.286 4.499 4.928 1.00 0.00 O ATOM 434 CB GLU A 28 13.906 2.576 6.473 1.00 0.00 C ATOM 435 CG GLU A 28 12.620 2.944 7.251 1.00 0.00 C ATOM 436 CD GLU A 28 12.710 2.717 8.758 1.00 0.00 C ATOM 437 OE1 GLU A 28 13.796 2.863 9.357 1.00 0.00 O ATOM 438 OE2 GLU A 28 11.639 2.291 9.325 1.00 0.00 O ATOM 0 H GLU A 28 12.877 2.061 4.260 1.00 0.00 H new ATOM 0 HA GLU A 28 13.810 4.491 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.858 1.533 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.771 2.672 7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.386 3.992 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.790 2.358 6.856 1.00 0.00 H new ATOM 445 N LYS A 29 16.029 2.360 4.247 1.00 0.00 N ATOM 446 CA LYS A 29 17.241 2.315 3.366 1.00 0.00 C ATOM 447 C LYS A 29 17.479 3.628 2.635 1.00 0.00 C ATOM 448 O LYS A 29 18.524 4.287 2.854 1.00 0.00 O ATOM 449 CB LYS A 29 17.076 1.129 2.403 1.00 0.00 C ATOM 450 CG LYS A 29 17.791 1.342 1.063 1.00 0.00 C ATOM 451 CD LYS A 29 18.659 0.095 0.661 1.00 0.00 C ATOM 452 CE LYS A 29 17.667 -1.087 0.518 1.00 0.00 C ATOM 453 NZ LYS A 29 18.279 -2.198 -0.188 1.00 0.00 N ATOM 0 H LYS A 29 15.592 1.450 4.395 1.00 0.00 H new ATOM 0 HA LYS A 29 18.133 2.173 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.464 0.227 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.015 0.962 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.054 1.538 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.429 2.224 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.190 0.274 -0.274 1.00 0.00 H new ATOM 0 HD3 LYS A 29 19.412 -0.117 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.341 -1.414 1.505 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.777 -0.757 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.695 -3.050 -0.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.351 -1.969 -1.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.230 -2.372 0.196 1.00 0.00 H new ATOM 467 N TYR A 30 16.541 3.982 1.735 1.00 0.00 N ATOM 468 CA TYR A 30 16.650 5.046 0.720 1.00 0.00 C ATOM 469 C TYR A 30 16.129 6.368 1.273 1.00 0.00 C ATOM 470 O TYR A 30 15.876 7.348 0.581 1.00 0.00 O ATOM 471 CB TYR A 30 15.857 4.581 -0.553 1.00 0.00 C ATOM 472 CG TYR A 30 16.373 3.238 -1.114 1.00 0.00 C ATOM 473 CD1 TYR A 30 17.762 3.058 -1.164 1.00 0.00 C ATOM 474 CD2 TYR A 30 15.486 2.218 -1.453 1.00 0.00 C ATOM 475 CE1 TYR A 30 18.266 1.847 -1.642 1.00 0.00 C ATOM 476 CE2 TYR A 30 15.984 0.957 -1.839 1.00 0.00 C ATOM 477 CZ TYR A 30 17.376 0.853 -2.066 1.00 0.00 C ATOM 478 OH TYR A 30 17.854 -0.242 -2.707 1.00 0.00 O ATOM 0 H TYR A 30 15.639 3.507 1.695 1.00 0.00 H new ATOM 0 HA TYR A 30 17.692 5.217 0.448 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.800 4.485 -0.304 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.934 5.347 -1.325 1.00 0.00 H new ATOM 0 HD1 TYR A 30 18.430 3.842 -0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.421 2.393 -1.420 1.00 0.00 H new ATOM 0 HE1 TYR A 30 19.332 1.679 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 30 15.330 0.106 -1.956 1.00 0.00 H new ATOM 0 HH TYR A 30 17.110 -0.838 -2.935 1.00 0.00 H new ATOM 488 N GLU A 31 15.962 6.363 2.634 1.00 0.00 N ATOM 489 CA GLU A 31 15.741 7.566 3.435 1.00 0.00 C ATOM 490 C GLU A 31 14.392 8.209 3.077 1.00 0.00 C ATOM 491 O GLU A 31 14.189 9.408 3.314 1.00 0.00 O ATOM 492 CB GLU A 31 16.898 8.591 3.230 1.00 0.00 C ATOM 493 CG GLU A 31 16.643 9.880 4.039 1.00 0.00 C ATOM 494 CD GLU A 31 17.792 10.241 5.012 1.00 0.00 C ATOM 495 OE1 GLU A 31 17.736 9.709 6.150 1.00 0.00 O ATOM 496 OE2 GLU A 31 18.678 11.040 4.634 1.00 0.00 O ATOM 0 H GLU A 31 15.981 5.507 3.189 1.00 0.00 H new ATOM 0 HA GLU A 31 15.723 7.275 4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.843 8.145 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 31 16.991 8.834 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.491 10.708 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.720 9.765 4.607 1.00 0.00 H new ATOM 503 N VAL A 32 13.533 7.422 2.385 1.00 0.00 N ATOM 504 CA VAL A 32 12.082 7.634 2.360 1.00 0.00 C ATOM 505 C VAL A 32 11.514 7.434 3.778 1.00 0.00 C ATOM 506 O VAL A 32 11.380 6.284 4.264 1.00 0.00 O ATOM 507 CB VAL A 32 11.454 6.713 1.298 1.00 0.00 C ATOM 508 CG1 VAL A 32 10.070 7.139 0.819 1.00 0.00 C ATOM 509 CG2 VAL A 32 12.419 6.519 0.077 1.00 0.00 C ATOM 0 H VAL A 32 13.837 6.622 1.830 1.00 0.00 H new ATOM 0 HA VAL A 32 11.833 8.655 2.070 1.00 0.00 H new ATOM 0 HB VAL A 32 11.308 5.760 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.709 6.431 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 32 9.382 7.158 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.128 8.134 0.377 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.950 5.864 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.627 7.487 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.352 6.071 0.418 1.00 0.00 H new ATOM 519 N PRO A 33 11.288 8.528 4.504 1.00 0.00 N ATOM 520 CA PRO A 33 10.950 8.590 5.960 1.00 0.00 C ATOM 521 C PRO A 33 9.446 8.585 6.339 1.00 0.00 C ATOM 522 O PRO A 33 8.773 9.587 6.497 1.00 0.00 O ATOM 523 CB PRO A 33 11.679 9.843 6.455 1.00 0.00 C ATOM 524 CG PRO A 33 11.419 10.815 5.306 1.00 0.00 C ATOM 525 CD PRO A 33 11.550 9.906 4.038 1.00 0.00 C ATOM 0 HA PRO A 33 11.270 7.667 6.444 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.276 10.207 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.743 9.665 6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.430 11.268 5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.143 11.630 5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.836 10.202 3.269 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.544 9.988 3.598 1.00 0.00 H new ATOM 533 N VAL A 34 9.018 7.330 6.649 1.00 0.00 N ATOM 534 CA VAL A 34 7.617 6.908 6.722 1.00 0.00 C ATOM 535 C VAL A 34 7.556 5.566 7.500 1.00 0.00 C ATOM 536 O VAL A 34 8.539 5.049 8.000 1.00 0.00 O ATOM 537 CB VAL A 34 7.016 6.859 5.310 1.00 0.00 C ATOM 538 CG1 VAL A 34 7.576 7.884 4.303 1.00 0.00 C ATOM 539 CG2 VAL A 34 7.070 5.440 4.684 1.00 0.00 C ATOM 0 H VAL A 34 9.668 6.573 6.859 1.00 0.00 H new ATOM 0 HA VAL A 34 7.001 7.621 7.271 1.00 0.00 H new ATOM 0 HB VAL A 34 5.980 7.145 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.080 7.757 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.397 8.893 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.648 7.727 4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.632 5.465 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.107 5.111 4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.509 4.745 5.309 1.00 0.00 H new ATOM 549 N ILE A 35 6.292 5.085 7.643 1.00 0.00 N ATOM 550 CA ILE A 35 5.964 3.674 7.976 1.00 0.00 C ATOM 551 C ILE A 35 5.087 3.056 6.870 1.00 0.00 C ATOM 552 O ILE A 35 4.189 3.642 6.330 1.00 0.00 O ATOM 553 CB ILE A 35 5.306 3.587 9.393 1.00 0.00 C ATOM 554 CG1 ILE A 35 6.241 4.094 10.469 1.00 0.00 C ATOM 555 CG2 ILE A 35 4.691 2.193 9.660 1.00 0.00 C ATOM 556 CD1 ILE A 35 6.213 3.330 11.822 1.00 0.00 C ATOM 0 H ILE A 35 5.466 5.672 7.529 1.00 0.00 H new ATOM 0 HA ILE A 35 6.881 3.087 8.019 1.00 0.00 H new ATOM 0 HB ILE A 35 4.454 4.266 9.422 1.00 0.00 H new ATOM 0 HG12 ILE A 35 7.259 4.063 10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.005 5.140 10.662 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.245 2.176 10.654 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.923 1.985 8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.471 1.434 9.599 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.924 3.785 12.512 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.211 3.381 12.248 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.484 2.287 11.657 1.00 0.00 H new ATOM 568 N ILE A 36 5.428 1.748 6.562 1.00 0.00 N ATOM 569 CA ILE A 36 4.754 0.887 5.609 1.00 0.00 C ATOM 570 C ILE A 36 4.117 -0.332 6.340 1.00 0.00 C ATOM 571 O ILE A 36 4.822 -1.162 6.881 1.00 0.00 O ATOM 572 CB ILE A 36 5.673 0.471 4.419 1.00 0.00 C ATOM 573 CG1 ILE A 36 6.197 1.671 3.643 1.00 0.00 C ATOM 574 CG2 ILE A 36 4.978 -0.603 3.530 1.00 0.00 C ATOM 575 CD1 ILE A 36 7.730 1.684 3.334 1.00 0.00 C ATOM 0 H ILE A 36 6.217 1.283 7.010 1.00 0.00 H new ATOM 0 HA ILE A 36 3.945 1.458 5.153 1.00 0.00 H new ATOM 0 HB ILE A 36 6.566 -0.001 4.829 1.00 0.00 H new ATOM 0 HG12 ILE A 36 5.657 1.729 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.954 2.573 4.204 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.638 -0.877 2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.760 -1.487 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.048 -0.198 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.981 2.587 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 36 8.290 1.666 4.269 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.989 0.808 2.739 1.00 0.00 H new ATOM 587 N GLU A 37 2.783 -0.374 6.281 1.00 0.00 N ATOM 588 CA GLU A 37 1.935 -1.355 7.025 1.00 0.00 C ATOM 589 C GLU A 37 0.841 -1.930 6.114 1.00 0.00 C ATOM 590 O GLU A 37 0.416 -1.253 5.155 1.00 0.00 O ATOM 591 CB GLU A 37 1.346 -0.657 8.258 1.00 0.00 C ATOM 592 CG GLU A 37 2.477 -0.119 9.160 1.00 0.00 C ATOM 593 CD GLU A 37 2.294 -0.459 10.645 1.00 0.00 C ATOM 594 OE1 GLU A 37 1.260 -1.137 10.930 1.00 0.00 O ATOM 595 OE2 GLU A 37 3.171 -0.115 11.462 1.00 0.00 O ATOM 0 H GLU A 37 2.239 0.274 5.712 1.00 0.00 H new ATOM 0 HA GLU A 37 2.541 -2.199 7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.699 0.163 7.946 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.726 -1.356 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.428 -0.526 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.535 0.964 9.048 1.00 0.00 H new ATOM 602 N ALA A 38 0.493 -3.214 6.319 1.00 0.00 N ATOM 603 CA ALA A 38 -0.312 -4.039 5.427 1.00 0.00 C ATOM 604 C ALA A 38 -1.470 -4.755 6.152 1.00 0.00 C ATOM 605 O ALA A 38 -1.287 -5.679 6.920 1.00 0.00 O ATOM 606 CB ALA A 38 0.513 -5.096 4.669 1.00 0.00 C ATOM 0 H ALA A 38 0.785 -3.720 7.155 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.722 -3.328 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.145 -5.676 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.271 -4.600 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.998 -5.761 5.384 1.00 0.00 H new ATOM 612 N PHE A 39 -2.707 -4.280 5.855 1.00 0.00 N ATOM 613 CA PHE A 39 -3.973 -4.489 6.565 1.00 0.00 C ATOM 614 C PHE A 39 -4.840 -5.532 5.850 1.00 0.00 C ATOM 615 O PHE A 39 -4.329 -6.192 4.931 1.00 0.00 O ATOM 616 CB PHE A 39 -4.672 -3.213 6.878 1.00 0.00 C ATOM 617 CG PHE A 39 -3.831 -2.050 7.479 1.00 0.00 C ATOM 618 CD1 PHE A 39 -2.534 -1.841 7.032 1.00 0.00 C ATOM 619 CD2 PHE A 39 -4.415 -1.217 8.477 1.00 0.00 C ATOM 620 CE1 PHE A 39 -1.795 -0.757 7.520 1.00 0.00 C ATOM 621 CE2 PHE A 39 -3.802 0.048 8.689 1.00 0.00 C ATOM 622 CZ PHE A 39 -2.433 0.183 8.377 1.00 0.00 C ATOM 0 H PHE A 39 -2.844 -3.688 5.036 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.746 -4.912 7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.135 -2.851 5.960 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -5.480 -3.436 7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.096 -2.513 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.279 -1.531 9.043 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.756 -0.636 7.250 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.368 0.882 9.078 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.866 1.004 8.791 1.00 0.00 H new ATOM 632 N PRO A 40 -6.042 -5.849 6.321 1.00 0.00 N ATOM 633 CA PRO A 40 -7.090 -6.649 5.692 1.00 0.00 C ATOM 634 C PRO A 40 -8.304 -5.884 5.065 1.00 0.00 C ATOM 635 O PRO A 40 -9.397 -6.321 4.936 1.00 0.00 O ATOM 636 CB PRO A 40 -7.529 -7.640 6.771 1.00 0.00 C ATOM 637 CG PRO A 40 -7.065 -7.069 8.076 1.00 0.00 C ATOM 638 CD PRO A 40 -6.432 -5.681 7.770 1.00 0.00 C ATOM 0 HA PRO A 40 -6.673 -7.119 4.801 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -8.611 -7.768 6.765 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -7.091 -8.623 6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.899 -6.967 8.770 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.337 -7.729 8.548 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.140 -4.865 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.572 -5.472 8.406 1.00 0.00 H new ATOM 646 N GLU A 41 -7.901 -4.686 4.571 1.00 0.00 N ATOM 647 CA GLU A 41 -8.728 -3.598 4.170 1.00 0.00 C ATOM 648 C GLU A 41 -9.710 -3.050 5.195 1.00 0.00 C ATOM 649 O GLU A 41 -10.059 -1.831 5.149 1.00 0.00 O ATOM 650 CB GLU A 41 -9.441 -3.832 2.789 1.00 0.00 C ATOM 651 CG GLU A 41 -10.754 -4.530 2.933 1.00 0.00 C ATOM 652 CD GLU A 41 -11.740 -4.313 1.744 1.00 0.00 C ATOM 653 OE1 GLU A 41 -11.691 -3.259 1.143 1.00 0.00 O ATOM 654 OE2 GLU A 41 -12.507 -5.303 1.527 1.00 0.00 O ATOM 0 H GLU A 41 -6.911 -4.474 4.447 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.986 -2.807 4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.596 -2.872 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.790 -4.420 2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.572 -5.599 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.233 -4.189 3.851 1.00 0.00 H new ATOM 661 N THR A 42 -10.304 -3.892 6.074 1.00 0.00 N ATOM 662 CA THR A 42 -10.955 -3.595 7.355 1.00 0.00 C ATOM 663 C THR A 42 -10.625 -2.206 7.882 1.00 0.00 C ATOM 664 O THR A 42 -11.499 -1.384 8.234 1.00 0.00 O ATOM 665 CB THR A 42 -10.671 -4.617 8.469 1.00 0.00 C ATOM 666 OG1 THR A 42 -10.773 -4.014 9.768 1.00 0.00 O ATOM 667 CG2 THR A 42 -9.391 -5.420 8.231 1.00 0.00 C ATOM 0 H THR A 42 -10.338 -4.892 5.876 1.00 0.00 H new ATOM 0 HA THR A 42 -12.015 -3.653 7.107 1.00 0.00 H new ATOM 0 HB THR A 42 -11.456 -5.373 8.435 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.589 -4.687 10.456 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.245 -6.124 9.051 1.00 0.00 H new ATOM 0 HG22 THR A 42 -9.475 -5.968 7.293 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.540 -4.741 8.180 1.00 0.00 H new ATOM 675 N LEU A 43 -9.306 -1.942 8.073 1.00 0.00 N ATOM 676 CA LEU A 43 -8.715 -0.756 8.710 1.00 0.00 C ATOM 677 C LEU A 43 -8.035 0.080 7.538 1.00 0.00 C ATOM 678 O LEU A 43 -7.160 0.872 7.776 1.00 0.00 O ATOM 679 CB LEU A 43 -7.545 -1.237 9.585 1.00 0.00 C ATOM 680 CG LEU A 43 -7.560 -1.523 11.026 1.00 0.00 C ATOM 681 CD1 LEU A 43 -8.914 -1.588 11.765 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.555 -2.612 11.465 1.00 0.00 C ATOM 0 H LEU A 43 -8.590 -2.599 7.763 1.00 0.00 H new ATOM 0 HA LEU A 43 -9.457 -0.195 9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.195 -2.156 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.761 -0.492 9.450 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.186 -0.571 11.402 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.743 -1.808 12.819 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.425 -0.630 11.673 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.531 -2.372 11.326 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.629 -2.763 12.542 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.783 -3.546 10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.543 -2.296 11.212 1.00 0.00 H new ATOM 694 N ALA A 44 -8.440 -0.271 6.311 1.00 0.00 N ATOM 695 CA ALA A 44 -8.053 0.538 5.097 1.00 0.00 C ATOM 696 C ALA A 44 -8.826 1.872 5.106 1.00 0.00 C ATOM 697 O ALA A 44 -8.258 2.948 4.977 1.00 0.00 O ATOM 698 CB ALA A 44 -8.276 -0.241 3.834 1.00 0.00 C ATOM 0 H ALA A 44 -9.021 -1.085 6.111 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.987 0.761 5.134 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.989 0.367 2.976 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.672 -1.148 3.855 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.330 -0.508 3.753 1.00 0.00 H new ATOM 704 N GLY A 45 -10.177 1.763 5.211 1.00 0.00 N ATOM 705 CA GLY A 45 -11.088 2.941 5.190 1.00 0.00 C ATOM 706 C GLY A 45 -10.522 4.078 6.090 1.00 0.00 C ATOM 707 O GLY A 45 -10.411 5.213 5.670 1.00 0.00 O ATOM 0 H GLY A 45 -10.661 0.870 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.204 3.301 4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.078 2.650 5.540 1.00 0.00 H new ATOM 711 N GLU A 46 -10.196 3.657 7.339 1.00 0.00 N ATOM 712 CA GLU A 46 -9.901 4.584 8.474 1.00 0.00 C ATOM 713 C GLU A 46 -8.395 5.004 8.431 1.00 0.00 C ATOM 714 O GLU A 46 -8.079 6.161 8.749 1.00 0.00 O ATOM 715 CB GLU A 46 -10.215 3.900 9.817 1.00 0.00 C ATOM 716 CG GLU A 46 -11.657 4.246 10.270 1.00 0.00 C ATOM 717 CD GLU A 46 -11.932 3.888 11.776 1.00 0.00 C ATOM 718 OE1 GLU A 46 -10.992 4.192 12.529 1.00 0.00 O ATOM 719 OE2 GLU A 46 -13.050 3.431 12.087 1.00 0.00 O ATOM 0 H GLU A 46 -10.129 2.671 7.592 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.527 5.471 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.107 2.820 9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.501 4.224 10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.834 5.311 10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.368 3.711 9.640 1.00 0.00 H new ATOM 726 N LYS A 47 -7.539 4.025 8.141 1.00 0.00 N ATOM 727 CA LYS A 47 -6.052 4.181 8.303 1.00 0.00 C ATOM 728 C LYS A 47 -5.393 4.576 6.929 1.00 0.00 C ATOM 729 O LYS A 47 -4.535 5.400 6.819 1.00 0.00 O ATOM 730 CB LYS A 47 -5.415 2.933 8.826 1.00 0.00 C ATOM 731 CG LYS A 47 -6.226 2.144 9.802 1.00 0.00 C ATOM 732 CD LYS A 47 -7.048 2.866 10.876 1.00 0.00 C ATOM 733 CE LYS A 47 -6.010 3.518 11.880 1.00 0.00 C ATOM 734 NZ LYS A 47 -6.390 3.141 13.258 1.00 0.00 N ATOM 0 H LYS A 47 -7.826 3.110 7.793 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.885 4.975 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.174 2.290 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.471 3.202 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.916 1.527 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.545 1.466 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.685 3.629 10.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.704 2.168 11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.000 3.173 11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.008 4.603 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.718 3.562 13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.348 3.490 13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.372 2.105 13.352 1.00 0.00 H new ATOM 748 N GLY A 48 -5.885 3.818 5.903 1.00 0.00 N ATOM 749 CA GLY A 48 -5.780 4.277 4.479 1.00 0.00 C ATOM 750 C GLY A 48 -6.119 5.757 4.307 1.00 0.00 C ATOM 751 O GLY A 48 -5.444 6.488 3.604 1.00 0.00 O ATOM 0 H GLY A 48 -6.344 2.915 6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.768 4.097 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.450 3.681 3.860 1.00 0.00 H new ATOM 755 N GLN A 49 -7.200 6.217 5.027 1.00 0.00 N ATOM 756 CA GLN A 49 -7.365 7.613 5.475 1.00 0.00 C ATOM 757 C GLN A 49 -6.093 8.225 6.034 1.00 0.00 C ATOM 758 O GLN A 49 -5.455 9.088 5.409 1.00 0.00 O ATOM 759 CB GLN A 49 -8.491 7.648 6.534 1.00 0.00 C ATOM 760 CG GLN A 49 -8.871 9.101 6.901 1.00 0.00 C ATOM 761 CD GLN A 49 -9.536 9.212 8.278 1.00 0.00 C ATOM 762 OE1 GLN A 49 -10.362 8.167 8.634 1.00 0.00 O flip ATOM 763 NE2 GLN A 49 -9.410 10.147 9.083 1.00 0.00 N flip ATOM 0 H GLN A 49 -7.973 5.612 5.304 1.00 0.00 H new ATOM 0 HA GLN A 49 -7.622 8.217 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.368 7.126 6.153 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.168 7.117 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.975 9.721 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.547 9.497 6.143 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.808 10.938 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.909 10.125 9.972 1.00 0.00 H new ATOM 772 N ASN A 50 -5.726 7.862 7.301 1.00 0.00 N ATOM 773 CA ASN A 50 -4.458 8.264 7.964 1.00 0.00 C ATOM 774 C ASN A 50 -3.296 8.340 6.944 1.00 0.00 C ATOM 775 O ASN A 50 -2.337 9.091 7.152 1.00 0.00 O ATOM 776 CB ASN A 50 -4.123 7.329 9.115 1.00 0.00 C ATOM 777 CG ASN A 50 -4.385 7.906 10.525 1.00 0.00 C ATOM 778 OD1 ASN A 50 -3.570 7.810 11.468 1.00 0.00 O ATOM 779 ND2 ASN A 50 -5.567 8.487 10.753 1.00 0.00 N ATOM 0 H ASN A 50 -6.314 7.275 7.892 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.599 9.262 8.379 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.704 6.414 9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.072 7.051 9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.790 8.842 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.246 8.575 9.997 1.00 0.00 H new ATOM 786 N ALA A 51 -3.377 7.444 5.943 1.00 0.00 N ATOM 787 CA ALA A 51 -2.266 7.249 4.931 1.00 0.00 C ATOM 788 C ALA A 51 -1.758 8.632 4.493 1.00 0.00 C ATOM 789 O ALA A 51 -2.342 9.666 4.774 1.00 0.00 O ATOM 790 CB ALA A 51 -2.768 6.431 3.764 1.00 0.00 C ATOM 0 H ALA A 51 -4.184 6.838 5.795 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.435 6.698 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.963 6.296 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.104 5.457 4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.600 6.949 3.287 1.00 0.00 H new ATOM 796 N ASP A 52 -0.629 8.604 3.743 1.00 0.00 N ATOM 797 CA ASP A 52 -0.243 9.566 2.688 1.00 0.00 C ATOM 798 C ASP A 52 -0.534 8.979 1.292 1.00 0.00 C ATOM 799 O ASP A 52 -0.453 9.666 0.277 1.00 0.00 O ATOM 800 CB ASP A 52 1.260 9.847 2.808 1.00 0.00 C ATOM 801 CG ASP A 52 1.780 10.932 1.826 1.00 0.00 C ATOM 802 OD1 ASP A 52 1.298 12.109 1.994 1.00 0.00 O ATOM 803 OD2 ASP A 52 2.648 10.641 1.004 1.00 0.00 O ATOM 0 H ASP A 52 0.070 7.872 3.866 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.817 10.484 2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.480 10.160 3.829 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.807 8.921 2.633 1.00 0.00 H new ATOM 808 N VAL A 53 -0.639 7.616 1.291 1.00 0.00 N ATOM 809 CA VAL A 53 -1.000 6.835 0.088 1.00 0.00 C ATOM 810 C VAL A 53 -1.372 5.392 0.467 1.00 0.00 C ATOM 811 O VAL A 53 -0.762 4.756 1.312 1.00 0.00 O ATOM 812 CB VAL A 53 0.139 6.955 -0.949 1.00 0.00 C ATOM 813 CG1 VAL A 53 1.568 6.877 -0.363 1.00 0.00 C ATOM 814 CG2 VAL A 53 -0.014 6.115 -2.193 1.00 0.00 C ATOM 0 H VAL A 53 -0.476 7.043 2.119 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.896 7.238 -0.383 1.00 0.00 H new ATOM 0 HB VAL A 53 0.011 7.983 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.297 6.971 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.712 7.686 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.703 5.919 0.139 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.841 6.278 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.064 5.062 -1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.929 6.398 -2.713 1.00 0.00 H new ATOM 824 N VAL A 54 -2.477 4.897 -0.141 1.00 0.00 N ATOM 825 CA VAL A 54 -3.107 3.595 0.143 1.00 0.00 C ATOM 826 C VAL A 54 -2.753 2.622 -1.015 1.00 0.00 C ATOM 827 O VAL A 54 -2.722 2.990 -2.175 1.00 0.00 O ATOM 828 CB VAL A 54 -4.651 3.783 0.303 1.00 0.00 C ATOM 829 CG1 VAL A 54 -5.450 2.472 0.038 1.00 0.00 C ATOM 830 CG2 VAL A 54 -5.004 4.318 1.722 1.00 0.00 C ATOM 0 H VAL A 54 -2.968 5.416 -0.869 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.736 3.173 1.077 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.944 4.513 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.516 2.664 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.260 2.130 -0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.134 1.704 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.084 4.440 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.659 3.609 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.517 5.280 1.880 1.00 0.00 H new ATOM 840 N LEU A 55 -2.376 1.366 -0.610 1.00 0.00 N ATOM 841 CA LEU A 55 -2.219 0.188 -1.478 1.00 0.00 C ATOM 842 C LEU A 55 -3.129 -0.951 -0.945 1.00 0.00 C ATOM 843 O LEU A 55 -3.109 -1.240 0.272 1.00 0.00 O ATOM 844 CB LEU A 55 -0.732 -0.262 -1.284 1.00 0.00 C ATOM 845 CG LEU A 55 0.404 0.635 -1.759 1.00 0.00 C ATOM 846 CD1 LEU A 55 1.683 -0.070 -2.223 1.00 0.00 C ATOM 847 CD2 LEU A 55 -0.035 1.798 -2.678 1.00 0.00 C ATOM 0 H LEU A 55 -2.170 1.157 0.367 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.471 0.405 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.583 -0.437 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.617 -1.224 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 55 0.714 1.107 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.415 0.674 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.092 -0.659 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.452 -0.727 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.838 2.383 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.514 1.396 -3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.740 2.437 -2.145 1.00 0.00 H new ATOM 859 N LEU A 56 -3.908 -1.580 -1.846 1.00 0.00 N ATOM 860 CA LEU A 56 -4.895 -2.647 -1.560 1.00 0.00 C ATOM 861 C LEU A 56 -4.523 -3.884 -2.414 1.00 0.00 C ATOM 862 O LEU A 56 -4.058 -3.735 -3.527 1.00 0.00 O ATOM 863 CB LEU A 56 -6.238 -2.068 -2.077 1.00 0.00 C ATOM 864 CG LEU A 56 -7.521 -2.911 -1.718 1.00 0.00 C ATOM 865 CD1 LEU A 56 -7.506 -4.313 -2.375 1.00 0.00 C ATOM 866 CD2 LEU A 56 -7.751 -2.959 -0.195 1.00 0.00 C ATOM 0 H LEU A 56 -3.867 -1.350 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.935 -2.934 -0.509 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.360 -1.063 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.179 -1.971 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.382 -2.398 -2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.410 -4.855 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.465 -4.206 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.632 -4.866 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.643 -3.547 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.889 -3.417 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.884 -1.946 0.185 1.00 0.00 H new ATOM 878 N GLY A 57 -4.656 -5.083 -1.808 1.00 0.00 N ATOM 879 CA GLY A 57 -4.142 -6.356 -2.397 1.00 0.00 C ATOM 880 C GLY A 57 -4.687 -6.578 -3.836 1.00 0.00 C ATOM 881 O GLY A 57 -5.680 -6.025 -4.235 1.00 0.00 O ATOM 0 H GLY A 57 -5.116 -5.205 -0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.052 -6.334 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.432 -7.194 -1.764 1.00 0.00 H new ATOM 885 N PRO A 58 -3.932 -7.419 -4.586 1.00 0.00 N ATOM 886 CA PRO A 58 -4.284 -7.985 -5.881 1.00 0.00 C ATOM 887 C PRO A 58 -5.039 -9.325 -6.000 1.00 0.00 C ATOM 888 O PRO A 58 -5.376 -9.836 -7.060 1.00 0.00 O ATOM 889 CB PRO A 58 -2.932 -8.032 -6.665 1.00 0.00 C ATOM 890 CG PRO A 58 -1.987 -8.487 -5.522 1.00 0.00 C ATOM 891 CD PRO A 58 -2.484 -7.655 -4.310 1.00 0.00 C ATOM 0 HA PRO A 58 -5.067 -7.337 -6.275 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.954 -8.737 -7.496 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.653 -7.062 -7.078 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.065 -9.558 -5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -0.943 -8.279 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.341 -8.194 -3.373 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.938 -6.715 -4.223 1.00 0.00 H new ATOM 899 N GLN A 59 -5.422 -9.793 -4.788 1.00 0.00 N ATOM 900 CA GLN A 59 -6.543 -10.768 -4.553 1.00 0.00 C ATOM 901 C GLN A 59 -7.813 -9.960 -4.165 1.00 0.00 C ATOM 902 O GLN A 59 -8.943 -10.406 -4.423 1.00 0.00 O ATOM 903 CB GLN A 59 -6.095 -11.600 -3.311 1.00 0.00 C ATOM 904 CG GLN A 59 -4.573 -11.904 -3.334 1.00 0.00 C ATOM 905 CD GLN A 59 -4.182 -12.871 -2.193 1.00 0.00 C ATOM 906 OE1 GLN A 59 -4.895 -13.840 -1.849 1.00 0.00 O ATOM 907 NE2 GLN A 59 -3.030 -12.639 -1.570 1.00 0.00 N ATOM 0 H GLN A 59 -4.961 -9.506 -3.925 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.754 -11.389 -5.423 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.342 -11.054 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.652 -12.537 -3.282 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.301 -12.341 -4.295 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.012 -10.975 -3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.449 -11.849 -1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.728 -13.251 -0.812 1.00 0.00 H new ATOM 916 N ILE A 60 -7.624 -8.791 -3.525 1.00 0.00 N ATOM 917 CA ILE A 60 -8.652 -7.955 -2.892 1.00 0.00 C ATOM 918 C ILE A 60 -8.953 -6.706 -3.735 1.00 0.00 C ATOM 919 O ILE A 60 -9.506 -5.729 -3.285 1.00 0.00 O ATOM 920 CB ILE A 60 -8.357 -7.660 -1.401 1.00 0.00 C ATOM 921 CG1 ILE A 60 -9.313 -6.609 -0.846 1.00 0.00 C ATOM 922 CG2 ILE A 60 -6.872 -7.390 -1.126 1.00 0.00 C ATOM 923 CD1 ILE A 60 -10.183 -7.034 0.378 1.00 0.00 C ATOM 0 H ILE A 60 -6.693 -8.384 -3.432 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.576 -8.532 -2.870 1.00 0.00 H new ATOM 0 HB ILE A 60 -8.560 -8.569 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.729 -5.733 -0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -9.982 -6.299 -1.649 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.729 -7.190 -0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.284 -8.262 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -6.546 -6.526 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -10.819 -6.202 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.805 -7.886 0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.533 -7.312 1.208 1.00 0.00 H new ATOM 935 N ALA A 61 -8.520 -6.776 -5.005 1.00 0.00 N ATOM 936 CA ALA A 61 -8.322 -5.655 -5.927 1.00 0.00 C ATOM 937 C ALA A 61 -9.634 -4.881 -6.188 1.00 0.00 C ATOM 938 O ALA A 61 -9.626 -3.769 -6.676 1.00 0.00 O ATOM 939 CB ALA A 61 -7.769 -6.172 -7.282 1.00 0.00 C ATOM 0 H ALA A 61 -8.286 -7.670 -5.436 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.609 -4.976 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.625 -5.331 -7.961 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.815 -6.674 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.478 -6.875 -7.720 1.00 0.00 H new ATOM 945 N TYR A 62 -10.762 -5.562 -5.912 1.00 0.00 N ATOM 946 CA TYR A 62 -12.144 -5.198 -6.343 1.00 0.00 C ATOM 947 C TYR A 62 -12.646 -4.011 -5.489 1.00 0.00 C ATOM 948 O TYR A 62 -13.478 -3.213 -5.881 1.00 0.00 O ATOM 949 CB TYR A 62 -13.089 -6.420 -6.169 1.00 0.00 C ATOM 950 CG TYR A 62 -13.375 -6.758 -4.693 1.00 0.00 C ATOM 951 CD1 TYR A 62 -12.462 -7.489 -3.925 1.00 0.00 C ATOM 952 CD2 TYR A 62 -14.598 -6.315 -4.167 1.00 0.00 C ATOM 953 CE1 TYR A 62 -12.786 -7.778 -2.594 1.00 0.00 C ATOM 954 CE2 TYR A 62 -15.040 -6.858 -2.939 1.00 0.00 C ATOM 955 CZ TYR A 62 -14.097 -7.544 -2.154 1.00 0.00 C ATOM 956 OH TYR A 62 -14.455 -7.936 -0.896 1.00 0.00 O ATOM 0 H TYR A 62 -10.745 -6.419 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.137 -4.909 -7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -14.031 -6.218 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.643 -7.288 -6.655 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.527 -7.823 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -15.188 -5.576 -4.688 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.041 -8.173 -1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -16.065 -6.750 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.394 -7.705 -0.736 1.00 0.00 H new ATOM 966 N MET A 63 -12.083 -3.959 -4.240 1.00 0.00 N ATOM 967 CA MET A 63 -12.513 -3.127 -3.121 1.00 0.00 C ATOM 968 C MET A 63 -11.968 -1.700 -3.174 1.00 0.00 C ATOM 969 O MET A 63 -12.360 -0.854 -2.383 1.00 0.00 O ATOM 970 CB MET A 63 -12.007 -3.815 -1.780 1.00 0.00 C ATOM 971 CG MET A 63 -13.099 -4.760 -1.265 1.00 0.00 C ATOM 972 SD MET A 63 -14.236 -3.937 -0.024 1.00 0.00 S ATOM 973 CE MET A 63 -15.686 -3.786 -1.064 1.00 0.00 C ATOM 0 H MET A 63 -11.277 -4.535 -3.998 1.00 0.00 H new ATOM 0 HA MET A 63 -13.599 -3.049 -3.168 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.086 -4.368 -1.964 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.779 -3.057 -1.030 1.00 0.00 H new ATOM 0 HG2 MET A 63 -13.688 -5.122 -2.108 1.00 0.00 H new ATOM 0 HG3 MET A 63 -12.633 -5.631 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 63 -16.102 -2.783 -0.965 1.00 0.00 H new ATOM 0 HE2 MET A 63 -15.408 -3.963 -2.103 1.00 0.00 H new ATOM 0 HE3 MET A 63 -16.431 -4.520 -0.758 1.00 0.00 H new ATOM 983 N LEU A 64 -11.057 -1.468 -4.174 1.00 0.00 N ATOM 984 CA LEU A 64 -10.555 -0.124 -4.563 1.00 0.00 C ATOM 985 C LEU A 64 -11.713 0.897 -4.304 1.00 0.00 C ATOM 986 O LEU A 64 -11.488 1.916 -3.659 1.00 0.00 O ATOM 987 CB LEU A 64 -10.208 -0.211 -6.025 1.00 0.00 C ATOM 988 CG LEU A 64 -8.713 -0.281 -6.456 1.00 0.00 C ATOM 989 CD1 LEU A 64 -8.538 -0.546 -7.986 1.00 0.00 C ATOM 990 CD2 LEU A 64 -7.913 0.942 -5.989 1.00 0.00 C ATOM 0 H LEU A 64 -10.653 -2.221 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 64 -9.679 0.197 -4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.705 -1.094 -6.427 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -10.650 0.655 -6.518 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.293 -1.147 -5.944 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.476 -0.585 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.005 -1.496 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.011 0.258 -8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.877 0.845 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.345 1.845 -6.419 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.947 1.006 -4.901 1.00 0.00 H new ATOM 1002 N PRO A 65 -12.899 0.620 -4.901 1.00 0.00 N ATOM 1003 CA PRO A 65 -13.938 1.646 -5.190 1.00 0.00 C ATOM 1004 C PRO A 65 -14.592 2.324 -3.920 1.00 0.00 C ATOM 1005 O PRO A 65 -14.854 3.489 -3.897 1.00 0.00 O ATOM 1006 CB PRO A 65 -14.961 0.947 -6.063 1.00 0.00 C ATOM 1007 CG PRO A 65 -14.164 -0.163 -6.742 1.00 0.00 C ATOM 1008 CD PRO A 65 -13.257 -0.642 -5.550 1.00 0.00 C ATOM 0 HA PRO A 65 -13.477 2.499 -5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -15.783 0.544 -5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.397 1.629 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.804 -0.960 -7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.579 0.204 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.793 -1.309 -4.874 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.378 -1.183 -5.900 1.00 0.00 H new ATOM 1016 N GLU A 66 -14.655 1.445 -2.886 1.00 0.00 N ATOM 1017 CA GLU A 66 -15.157 1.812 -1.547 1.00 0.00 C ATOM 1018 C GLU A 66 -13.995 2.172 -0.576 1.00 0.00 C ATOM 1019 O GLU A 66 -14.231 2.510 0.578 1.00 0.00 O ATOM 1020 CB GLU A 66 -15.945 0.629 -0.916 1.00 0.00 C ATOM 1021 CG GLU A 66 -17.199 0.298 -1.781 1.00 0.00 C ATOM 1022 CD GLU A 66 -18.357 -0.301 -0.927 1.00 0.00 C ATOM 1023 OE1 GLU A 66 -18.830 0.394 0.002 1.00 0.00 O ATOM 1024 OE2 GLU A 66 -18.714 -1.462 -1.251 1.00 0.00 O ATOM 0 H GLU A 66 -14.361 0.471 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.803 2.679 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.302 -0.248 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.251 0.886 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.546 1.204 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.923 -0.409 -2.564 1.00 0.00 H new ATOM 1031 N ILE A 67 -12.777 1.973 -1.053 1.00 0.00 N ATOM 1032 CA ILE A 67 -11.529 2.684 -0.533 1.00 0.00 C ATOM 1033 C ILE A 67 -11.621 4.167 -0.923 1.00 0.00 C ATOM 1034 O ILE A 67 -11.088 5.065 -0.263 1.00 0.00 O ATOM 1035 CB ILE A 67 -10.288 1.942 -1.076 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -10.515 0.397 -0.992 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -8.986 2.344 -0.369 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -9.863 -0.287 0.215 1.00 0.00 C ATOM 0 H ILE A 67 -12.582 1.321 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.445 2.662 0.554 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.167 2.238 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.587 0.203 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.130 -0.062 -1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.153 1.787 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.815 3.412 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.065 2.119 0.695 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.076 -1.356 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.785 -0.131 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.264 0.138 1.135 1.00 0.00 H new ATOM 1050 N GLN A 68 -12.314 4.408 -2.062 1.00 0.00 N ATOM 1051 CA GLN A 68 -12.359 5.648 -2.831 1.00 0.00 C ATOM 1052 C GLN A 68 -13.812 6.181 -2.915 1.00 0.00 C ATOM 1053 O GLN A 68 -14.127 7.096 -3.643 1.00 0.00 O ATOM 1054 CB GLN A 68 -11.851 5.296 -4.268 1.00 0.00 C ATOM 1055 CG GLN A 68 -10.541 4.438 -4.205 1.00 0.00 C ATOM 1056 CD GLN A 68 -9.390 5.108 -4.953 1.00 0.00 C ATOM 1057 OE1 GLN A 68 -8.727 6.142 -4.322 1.00 0.00 O flip ATOM 1058 NE2 GLN A 68 -9.001 4.762 -6.077 1.00 0.00 N flip ATOM 0 H GLN A 68 -12.892 3.683 -2.486 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.746 6.417 -2.361 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.624 4.748 -4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.663 6.213 -4.826 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.257 4.283 -3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -10.730 3.454 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.471 4.001 -6.568 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.211 5.238 -6.512 1.00 0.00 H new ATOM 1067 N ARG A 69 -14.714 5.463 -2.172 1.00 0.00 N ATOM 1068 CA ARG A 69 -15.957 6.110 -1.646 1.00 0.00 C ATOM 1069 C ARG A 69 -15.621 6.682 -0.210 1.00 0.00 C ATOM 1070 O ARG A 69 -16.018 7.774 0.128 1.00 0.00 O ATOM 1071 CB ARG A 69 -17.055 5.070 -1.510 1.00 0.00 C ATOM 1072 CG ARG A 69 -17.635 4.554 -2.817 1.00 0.00 C ATOM 1073 CD ARG A 69 -17.596 5.550 -3.962 1.00 0.00 C ATOM 1074 NE ARG A 69 -16.590 5.146 -4.965 1.00 0.00 N ATOM 1075 CZ ARG A 69 -16.413 5.616 -6.196 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -17.118 6.717 -6.631 1.00 0.00 N ATOM 1077 NH2 ARG A 69 -15.523 5.101 -7.064 1.00 0.00 N ATOM 0 H ARG A 69 -14.609 4.477 -1.933 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.291 6.899 -2.320 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.661 4.223 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -17.864 5.497 -0.917 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.089 3.658 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -18.669 4.255 -2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -18.579 5.614 -4.429 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -17.359 6.543 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.946 4.410 -4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.781 7.177 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.977 7.072 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.942 4.309 -6.789 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.430 5.502 -7.997 1.00 0.00 H new ATOM 1091 N LEU A 70 -14.904 5.814 0.561 1.00 0.00 N ATOM 1092 CA LEU A 70 -14.235 6.169 1.831 1.00 0.00 C ATOM 1093 C LEU A 70 -13.305 7.360 1.607 1.00 0.00 C ATOM 1094 O LEU A 70 -13.719 8.524 1.902 1.00 0.00 O ATOM 1095 CB LEU A 70 -13.538 4.927 2.335 1.00 0.00 C ATOM 1096 CG LEU A 70 -13.901 4.402 3.769 1.00 0.00 C ATOM 1097 CD1 LEU A 70 -14.943 5.216 4.481 1.00 0.00 C ATOM 1098 CD2 LEU A 70 -14.080 2.896 3.800 1.00 0.00 C ATOM 0 H LEU A 70 -14.778 4.834 0.306 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.940 6.491 2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.737 4.123 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.465 5.115 2.311 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.029 4.577 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -15.134 4.784 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -14.588 6.240 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -15.865 5.216 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.330 2.580 4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -14.885 2.611 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.154 2.413 3.488 1.00 0.00 H new ATOM 1110 N LEU A 71 -12.064 7.128 1.207 1.00 0.00 N ATOM 1111 CA LEU A 71 -11.034 8.166 0.848 1.00 0.00 C ATOM 1112 C LEU A 71 -11.077 8.413 -0.658 1.00 0.00 C ATOM 1113 O LEU A 71 -10.466 7.676 -1.433 1.00 0.00 O ATOM 1114 CB LEU A 71 -9.705 7.532 1.277 1.00 0.00 C ATOM 1115 CG LEU A 71 -9.560 6.963 2.717 1.00 0.00 C ATOM 1116 CD1 LEU A 71 -10.809 7.043 3.594 1.00 0.00 C ATOM 1117 CD2 LEU A 71 -8.943 5.531 2.666 1.00 0.00 C ATOM 0 H LEU A 71 -11.704 6.179 1.110 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.192 9.131 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.490 6.721 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.926 8.282 1.142 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.871 7.632 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.593 6.618 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.108 8.085 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.619 6.483 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.845 5.141 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.592 4.876 2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.960 5.575 2.198 1.00 0.00 H new ATOM 1129 N PRO A 72 -11.856 9.427 -1.099 1.00 0.00 N ATOM 1130 CA PRO A 72 -11.804 10.046 -2.425 1.00 0.00 C ATOM 1131 C PRO A 72 -10.867 11.238 -2.703 1.00 0.00 C ATOM 1132 O PRO A 72 -10.682 11.648 -3.874 1.00 0.00 O ATOM 1133 CB PRO A 72 -13.283 10.348 -2.754 1.00 0.00 C ATOM 1134 CG PRO A 72 -13.747 10.902 -1.362 1.00 0.00 C ATOM 1135 CD PRO A 72 -13.076 9.901 -0.379 1.00 0.00 C ATOM 0 HA PRO A 72 -11.306 9.339 -3.088 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.394 11.080 -3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.835 9.458 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.410 11.925 -1.197 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -14.833 10.905 -1.265 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.818 10.384 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.743 9.072 -0.140 1.00 0.00 H new ATOM 1143 N ASN A 73 -10.164 11.665 -1.627 1.00 0.00 N ATOM 1144 CA ASN A 73 -9.333 12.863 -1.545 1.00 0.00 C ATOM 1145 C ASN A 73 -7.854 12.514 -1.366 1.00 0.00 C ATOM 1146 O ASN A 73 -6.979 13.391 -1.517 1.00 0.00 O ATOM 1147 CB ASN A 73 -9.839 13.815 -0.424 1.00 0.00 C ATOM 1148 CG ASN A 73 -9.565 15.283 -0.715 1.00 0.00 C ATOM 1149 OD1 ASN A 73 -10.130 15.931 -1.648 1.00 0.00 O ATOM 1150 ND2 ASN A 73 -8.656 15.940 0.039 1.00 0.00 N ATOM 0 H ASN A 73 -10.170 11.145 -0.750 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.421 13.393 -2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.911 13.672 -0.291 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.362 13.543 0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.447 16.920 -0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.179 15.456 0.799 1.00 0.00 H new ATOM 1157 N LYS A 74 -7.576 11.272 -0.933 1.00 0.00 N ATOM 1158 CA LYS A 74 -6.191 10.745 -0.807 1.00 0.00 C ATOM 1159 C LYS A 74 -5.869 9.802 -1.977 1.00 0.00 C ATOM 1160 O LYS A 74 -6.691 9.615 -2.891 1.00 0.00 O ATOM 1161 CB LYS A 74 -6.000 10.027 0.550 1.00 0.00 C ATOM 1162 CG LYS A 74 -6.544 10.947 1.686 1.00 0.00 C ATOM 1163 CD LYS A 74 -5.558 11.196 2.819 1.00 0.00 C ATOM 1164 CE LYS A 74 -6.350 11.189 4.167 1.00 0.00 C ATOM 1165 NZ LYS A 74 -7.218 12.409 4.195 1.00 0.00 N ATOM 0 H LYS A 74 -8.295 10.602 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.497 11.584 -0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.529 9.074 0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.945 9.807 0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.832 11.905 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.448 10.499 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.787 10.426 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.053 12.152 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.956 10.287 4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.663 11.189 5.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.627 12.522 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.647 13.247 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.983 12.307 3.498 1.00 0.00 H new ATOM 1179 N PRO A 75 -4.661 9.228 -1.948 1.00 0.00 N ATOM 1180 CA PRO A 75 -4.148 8.190 -2.846 1.00 0.00 C ATOM 1181 C PRO A 75 -4.386 6.698 -2.453 1.00 0.00 C ATOM 1182 O PRO A 75 -4.272 6.294 -1.290 1.00 0.00 O ATOM 1183 CB PRO A 75 -2.711 8.524 -3.125 1.00 0.00 C ATOM 1184 CG PRO A 75 -2.259 9.402 -2.002 1.00 0.00 C ATOM 1185 CD PRO A 75 -3.513 9.716 -1.121 1.00 0.00 C ATOM 0 HA PRO A 75 -4.754 8.223 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.105 7.620 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.609 9.034 -4.083 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.490 8.905 -1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.820 10.322 -2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.466 9.203 -0.160 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.597 10.782 -0.910 1.00 0.00 H new ATOM 1193 N VAL A 76 -4.534 5.919 -3.565 1.00 0.00 N ATOM 1194 CA VAL A 76 -5.014 4.505 -3.482 1.00 0.00 C ATOM 1195 C VAL A 76 -4.514 3.747 -4.730 1.00 0.00 C ATOM 1196 O VAL A 76 -4.692 4.220 -5.848 1.00 0.00 O ATOM 1197 CB VAL A 76 -6.497 4.482 -3.221 1.00 0.00 C ATOM 1198 CG1 VAL A 76 -7.201 3.140 -3.546 1.00 0.00 C ATOM 1199 CG2 VAL A 76 -6.884 4.925 -1.785 1.00 0.00 C ATOM 0 H VAL A 76 -4.332 6.238 -4.512 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.596 3.965 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.865 5.222 -3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.265 3.224 -3.325 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.067 2.905 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.766 2.345 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.967 4.883 -1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.417 4.258 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.540 5.945 -1.614 1.00 0.00 H new ATOM 1209 N GLU A 77 -3.812 2.622 -4.479 1.00 0.00 N ATOM 1210 CA GLU A 77 -3.129 1.810 -5.531 1.00 0.00 C ATOM 1211 C GLU A 77 -2.997 0.336 -5.057 1.00 0.00 C ATOM 1212 O GLU A 77 -2.284 0.076 -4.117 1.00 0.00 O ATOM 1213 CB GLU A 77 -1.787 2.400 -5.901 1.00 0.00 C ATOM 1214 CG GLU A 77 -1.401 2.129 -7.382 1.00 0.00 C ATOM 1215 CD GLU A 77 -1.299 3.408 -8.215 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -2.131 4.344 -8.007 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -0.390 3.452 -9.084 1.00 0.00 O ATOM 0 H GLU A 77 -3.697 2.242 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.738 1.828 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.807 3.476 -5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.019 1.985 -5.248 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.446 1.604 -7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.143 1.468 -7.830 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.794 -0.555 -5.684 1.00 0.00 N ATOM 1225 CA VAL A 78 -3.617 -2.032 -5.601 1.00 0.00 C ATOM 1226 C VAL A 78 -2.123 -2.338 -5.907 1.00 0.00 C ATOM 1227 O VAL A 78 -1.374 -1.443 -6.322 1.00 0.00 O ATOM 1228 CB VAL A 78 -4.605 -2.686 -6.591 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.553 -4.224 -6.679 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -6.058 -2.188 -6.359 1.00 0.00 C ATOM 0 H VAL A 78 -4.584 -0.275 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.840 -2.441 -4.616 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.257 -2.348 -7.567 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.289 -4.572 -7.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.557 -4.537 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.776 -4.652 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.726 -2.669 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.371 -2.438 -5.345 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.098 -1.107 -6.496 1.00 0.00 H new ATOM 1240 N ILE A 79 -1.683 -3.567 -5.592 1.00 0.00 N ATOM 1241 CA ILE A 79 -0.394 -4.177 -6.031 1.00 0.00 C ATOM 1242 C ILE A 79 -0.604 -5.027 -7.269 1.00 0.00 C ATOM 1243 O ILE A 79 -1.704 -5.363 -7.699 1.00 0.00 O ATOM 1244 CB ILE A 79 0.254 -4.952 -4.817 1.00 0.00 C ATOM 1245 CG1 ILE A 79 0.140 -4.182 -3.519 1.00 0.00 C ATOM 1246 CG2 ILE A 79 1.648 -5.486 -5.137 1.00 0.00 C ATOM 1247 CD1 ILE A 79 1.226 -4.313 -2.460 1.00 0.00 C ATOM 0 H ILE A 79 -2.228 -4.196 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 79 0.317 -3.406 -6.327 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.338 -5.852 -4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.062 -3.125 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.803 -4.468 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.045 -6.010 -4.268 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.589 -6.175 -5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.306 -4.655 -5.392 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.974 -3.690 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.302 -5.353 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.180 -3.989 -2.876 1.00 0.00 H new ATOM 1259 N ASP A 80 0.578 -5.390 -7.897 1.00 0.00 N ATOM 1260 CA ASP A 80 0.779 -6.538 -8.783 1.00 0.00 C ATOM 1261 C ASP A 80 0.950 -7.842 -7.934 1.00 0.00 C ATOM 1262 O ASP A 80 1.410 -7.791 -6.789 1.00 0.00 O ATOM 1263 CB ASP A 80 2.038 -6.333 -9.632 1.00 0.00 C ATOM 1264 CG ASP A 80 1.834 -6.073 -11.121 1.00 0.00 C ATOM 1265 OD1 ASP A 80 1.758 -7.064 -11.916 1.00 0.00 O ATOM 1266 OD2 ASP A 80 1.878 -4.845 -11.526 1.00 0.00 O ATOM 0 H ASP A 80 1.433 -4.848 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.091 -6.631 -9.433 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.595 -5.494 -9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.666 -7.217 -9.525 1.00 0.00 H new ATOM 1271 N SER A 81 0.359 -8.927 -8.456 1.00 0.00 N ATOM 1272 CA SER A 81 -0.101 -10.129 -7.711 1.00 0.00 C ATOM 1273 C SER A 81 1.038 -11.113 -7.441 1.00 0.00 C ATOM 1274 O SER A 81 0.945 -11.979 -6.535 1.00 0.00 O ATOM 1275 CB SER A 81 -1.182 -10.772 -8.646 1.00 0.00 C ATOM 1276 OG SER A 81 -1.322 -12.156 -8.395 1.00 0.00 O ATOM 0 H SER A 81 0.176 -9.003 -9.457 1.00 0.00 H new ATOM 0 HA SER A 81 -0.490 -9.867 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.140 -10.274 -8.494 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.904 -10.616 -9.688 1.00 0.00 H new ATOM 0 HG SER A 81 -2.004 -12.529 -8.992 1.00 0.00 H new ATOM 1282 N LEU A 82 2.134 -10.996 -8.183 1.00 0.00 N ATOM 1283 CA LEU A 82 3.392 -11.726 -8.144 1.00 0.00 C ATOM 1284 C LEU A 82 4.477 -10.816 -7.537 1.00 0.00 C ATOM 1285 O LEU A 82 5.371 -11.332 -6.853 1.00 0.00 O ATOM 1286 CB LEU A 82 3.785 -11.925 -9.657 1.00 0.00 C ATOM 1287 CG LEU A 82 5.262 -12.216 -9.987 1.00 0.00 C ATOM 1288 CD1 LEU A 82 6.142 -12.750 -8.841 1.00 0.00 C ATOM 1289 CD2 LEU A 82 5.285 -13.272 -11.187 1.00 0.00 C ATOM 0 H LEU A 82 2.161 -10.294 -8.922 1.00 0.00 H new ATOM 0 HA LEU A 82 3.307 -12.652 -7.576 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.186 -12.745 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.492 -11.026 -10.199 1.00 0.00 H new ATOM 0 HG LEU A 82 5.702 -11.249 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.156 -12.913 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.161 -12.024 -8.028 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.732 -13.692 -8.476 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.318 -13.503 -11.449 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.776 -14.185 -10.878 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.777 -12.849 -12.054 1.00 0.00 H new ATOM 1301 N LEU A 83 4.485 -9.516 -7.885 1.00 0.00 N ATOM 1302 CA LEU A 83 5.416 -8.512 -7.200 1.00 0.00 C ATOM 1303 C LEU A 83 4.976 -8.485 -5.741 1.00 0.00 C ATOM 1304 O LEU A 83 5.841 -8.519 -4.851 1.00 0.00 O ATOM 1305 CB LEU A 83 5.125 -7.224 -7.950 1.00 0.00 C ATOM 1306 CG LEU A 83 5.886 -6.975 -9.286 1.00 0.00 C ATOM 1307 CD1 LEU A 83 6.981 -5.883 -9.135 1.00 0.00 C ATOM 1308 CD2 LEU A 83 6.396 -8.276 -9.926 1.00 0.00 C ATOM 0 H LEU A 83 3.889 -9.115 -8.609 1.00 0.00 H new ATOM 0 HA LEU A 83 6.486 -8.719 -7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.056 -7.194 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.341 -6.391 -7.281 1.00 0.00 H new ATOM 0 HG LEU A 83 5.163 -6.574 -9.997 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.487 -5.741 -10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.519 -4.945 -8.826 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.706 -6.196 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.919 -8.044 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.080 -8.776 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.552 -8.932 -10.139 1.00 0.00 H new ATOM 1320 N TYR A 84 3.649 -8.448 -5.483 1.00 0.00 N ATOM 1321 CA TYR A 84 3.003 -8.837 -4.204 1.00 0.00 C ATOM 1322 C TYR A 84 3.700 -10.067 -3.608 1.00 0.00 C ATOM 1323 O TYR A 84 4.416 -9.999 -2.588 1.00 0.00 O ATOM 1324 CB TYR A 84 1.491 -9.019 -4.347 1.00 0.00 C ATOM 1325 CG TYR A 84 0.631 -8.826 -3.087 1.00 0.00 C ATOM 1326 CD1 TYR A 84 0.487 -7.555 -2.519 1.00 0.00 C ATOM 1327 CD2 TYR A 84 0.047 -9.973 -2.532 1.00 0.00 C ATOM 1328 CE1 TYR A 84 -0.078 -7.458 -1.231 1.00 0.00 C ATOM 1329 CE2 TYR A 84 -0.648 -9.855 -1.324 1.00 0.00 C ATOM 1330 CZ TYR A 84 -0.731 -8.592 -0.704 1.00 0.00 C ATOM 1331 OH TYR A 84 -1.470 -8.460 0.424 1.00 0.00 O ATOM 0 H TYR A 84 2.974 -8.136 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 84 3.127 -8.016 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.138 -8.320 -5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.308 -10.023 -4.729 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.801 -6.671 -3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.132 -10.929 -3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.013 -6.541 -0.664 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.114 -10.719 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 84 -2.122 -9.190 0.475 1.00 0.00 H new ATOM 1341 N GLY A 85 3.453 -11.247 -4.231 1.00 0.00 N ATOM 1342 CA GLY A 85 3.756 -12.578 -3.671 1.00 0.00 C ATOM 1343 C GLY A 85 5.250 -12.934 -3.746 1.00 0.00 C ATOM 1344 O GLY A 85 5.728 -13.787 -2.961 1.00 0.00 O ATOM 0 H GLY A 85 3.028 -11.295 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.432 -12.611 -2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.181 -13.332 -4.208 1.00 0.00 H new ATOM 1348 N LYS A 86 5.986 -12.301 -4.646 1.00 0.00 N ATOM 1349 CA LYS A 86 7.480 -12.384 -4.769 1.00 0.00 C ATOM 1350 C LYS A 86 8.078 -11.056 -4.246 1.00 0.00 C ATOM 1351 O LYS A 86 9.145 -10.631 -4.625 1.00 0.00 O ATOM 1352 CB LYS A 86 7.979 -12.841 -6.070 1.00 0.00 C ATOM 1353 CG LYS A 86 8.841 -11.956 -6.892 1.00 0.00 C ATOM 1354 CD LYS A 86 10.054 -12.548 -7.615 1.00 0.00 C ATOM 1355 CE LYS A 86 9.789 -13.969 -8.083 1.00 0.00 C ATOM 1356 NZ LYS A 86 10.504 -14.231 -9.372 1.00 0.00 N ATOM 0 H LYS A 86 5.570 -11.688 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 86 7.842 -13.196 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.534 -13.763 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.111 -13.100 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.206 -11.490 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.204 -11.159 -6.243 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.308 -11.924 -8.472 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.916 -12.539 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.121 -14.677 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.718 -14.122 -8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.315 -15.206 -9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.167 -13.566 -10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.527 -14.104 -9.234 1.00 0.00 H new ATOM 1370 N VAL A 87 7.284 -10.389 -3.370 1.00 0.00 N ATOM 1371 CA VAL A 87 7.785 -9.477 -2.321 1.00 0.00 C ATOM 1372 C VAL A 87 8.693 -8.432 -2.933 1.00 0.00 C ATOM 1373 O VAL A 87 9.942 -8.598 -2.938 1.00 0.00 O ATOM 1374 CB VAL A 87 8.364 -10.326 -1.167 1.00 0.00 C ATOM 1375 CG1 VAL A 87 9.773 -9.916 -0.695 1.00 0.00 C ATOM 1376 CG2 VAL A 87 7.400 -10.588 -0.042 1.00 0.00 C ATOM 0 H VAL A 87 6.268 -10.473 -3.376 1.00 0.00 H new ATOM 0 HA VAL A 87 6.993 -8.884 -1.863 1.00 0.00 H new ATOM 0 HB VAL A 87 8.518 -11.299 -1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.090 -10.571 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.474 -10.001 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.753 -8.885 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.889 -11.190 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.080 -9.640 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.531 -11.124 -0.425 1.00 0.00 H new ATOM 1386 N ASP A 88 8.125 -7.408 -3.586 1.00 0.00 N ATOM 1387 CA ASP A 88 8.708 -6.114 -3.956 1.00 0.00 C ATOM 1388 C ASP A 88 8.130 -4.927 -3.170 1.00 0.00 C ATOM 1389 O ASP A 88 6.932 -4.848 -2.924 1.00 0.00 O ATOM 1390 CB ASP A 88 8.549 -5.860 -5.476 1.00 0.00 C ATOM 1391 CG ASP A 88 9.821 -5.657 -6.272 1.00 0.00 C ATOM 1392 OD1 ASP A 88 10.454 -6.675 -6.688 1.00 0.00 O ATOM 1393 OD2 ASP A 88 10.222 -4.441 -6.389 1.00 0.00 O ATOM 0 H ASP A 88 7.156 -7.473 -3.897 1.00 0.00 H new ATOM 0 HA ASP A 88 9.764 -6.179 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.010 -6.704 -5.907 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.921 -4.979 -5.609 1.00 0.00 H new ATOM 1398 N GLY A 89 9.050 -4.101 -2.627 1.00 0.00 N ATOM 1399 CA GLY A 89 8.777 -3.056 -1.582 1.00 0.00 C ATOM 1400 C GLY A 89 9.237 -1.664 -2.054 1.00 0.00 C ATOM 1401 O GLY A 89 8.505 -0.686 -1.934 1.00 0.00 O ATOM 0 H GLY A 89 10.032 -4.133 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.711 -3.033 -1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.292 -3.318 -0.658 1.00 0.00 H new ATOM 1405 N LEU A 90 10.498 -1.632 -2.584 1.00 0.00 N ATOM 1406 CA LEU A 90 11.017 -0.540 -3.444 1.00 0.00 C ATOM 1407 C LEU A 90 10.177 -0.447 -4.727 1.00 0.00 C ATOM 1408 O LEU A 90 9.505 0.556 -4.935 1.00 0.00 O ATOM 1409 CB LEU A 90 12.466 -0.938 -3.796 1.00 0.00 C ATOM 1410 CG LEU A 90 13.279 -0.105 -4.798 1.00 0.00 C ATOM 1411 CD1 LEU A 90 13.456 1.369 -4.480 1.00 0.00 C ATOM 1412 CD2 LEU A 90 14.570 -0.798 -5.240 1.00 0.00 C ATOM 0 H LEU A 90 11.181 -2.372 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 90 10.973 0.427 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 90 13.030 -0.960 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.437 -1.960 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 90 12.624 -0.068 -5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 90 14.047 1.842 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.479 1.849 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 90 13.969 1.476 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 90 15.101 -0.161 -5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 90 15.202 -0.980 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 90 14.328 -1.748 -5.717 1.00 0.00 H new ATOM 1424 N GLY A 91 10.234 -1.493 -5.582 1.00 0.00 N ATOM 1425 CA GLY A 91 9.346 -1.601 -6.765 1.00 0.00 C ATOM 1426 C GLY A 91 7.877 -1.332 -6.408 1.00 0.00 C ATOM 1427 O GLY A 91 7.102 -0.848 -7.259 1.00 0.00 O ATOM 0 H GLY A 91 10.883 -2.273 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 91 9.670 -0.892 -7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.437 -2.597 -7.197 1.00 0.00 H new ATOM 1431 N VAL A 92 7.514 -1.675 -5.146 1.00 0.00 N ATOM 1432 CA VAL A 92 6.179 -1.435 -4.552 1.00 0.00 C ATOM 1433 C VAL A 92 6.031 0.043 -4.209 1.00 0.00 C ATOM 1434 O VAL A 92 5.015 0.676 -4.462 1.00 0.00 O ATOM 1435 CB VAL A 92 5.939 -2.409 -3.362 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.627 -1.728 -2.031 1.00 0.00 C ATOM 1437 CG2 VAL A 92 4.885 -3.501 -3.732 1.00 0.00 C ATOM 0 H VAL A 92 8.157 -2.136 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 92 5.388 -1.656 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 92 6.896 -2.901 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.475 -2.485 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.460 -1.085 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.723 -1.127 -2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.738 -4.167 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.939 -3.022 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.242 -4.076 -4.586 1.00 0.00 H new ATOM 1447 N LEU A 93 7.097 0.595 -3.531 1.00 0.00 N ATOM 1448 CA LEU A 93 7.325 2.040 -3.350 1.00 0.00 C ATOM 1449 C LEU A 93 7.040 2.750 -4.704 1.00 0.00 C ATOM 1450 O LEU A 93 6.198 3.625 -4.749 1.00 0.00 O ATOM 1451 CB LEU A 93 8.827 2.198 -3.000 1.00 0.00 C ATOM 1452 CG LEU A 93 9.376 3.608 -2.724 1.00 0.00 C ATOM 1453 CD1 LEU A 93 9.122 4.659 -3.826 1.00 0.00 C ATOM 1454 CD2 LEU A 93 8.959 4.121 -1.317 1.00 0.00 C ATOM 0 H LEU A 93 7.821 0.023 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 93 6.688 2.466 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.027 1.587 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 93 9.404 1.773 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 93 10.458 3.479 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.552 5.614 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.585 4.330 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.049 4.776 -3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.366 5.120 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.872 4.157 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.347 3.446 -0.554 1.00 0.00 H new ATOM 1466 N LYS A 94 7.801 2.354 -5.755 1.00 0.00 N ATOM 1467 CA LYS A 94 7.778 3.073 -7.058 1.00 0.00 C ATOM 1468 C LYS A 94 6.373 3.323 -7.584 1.00 0.00 C ATOM 1469 O LYS A 94 6.034 4.466 -7.970 1.00 0.00 O ATOM 1470 CB LYS A 94 8.606 2.265 -8.087 1.00 0.00 C ATOM 1471 CG LYS A 94 9.109 3.219 -9.199 1.00 0.00 C ATOM 1472 CD LYS A 94 9.668 4.563 -8.715 1.00 0.00 C ATOM 1473 CE LYS A 94 8.491 5.577 -8.670 1.00 0.00 C ATOM 1474 NZ LYS A 94 8.622 6.494 -9.832 1.00 0.00 N ATOM 0 H LYS A 94 8.431 1.552 -5.729 1.00 0.00 H new ATOM 0 HA LYS A 94 8.216 4.059 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.451 1.784 -7.594 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.996 1.472 -8.520 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.884 2.707 -9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.285 3.414 -9.886 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.119 4.456 -7.728 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.451 4.916 -9.387 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.536 5.053 -8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.510 6.141 -7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.842 7.182 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.530 6.998 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.586 5.944 -10.714 1.00 0.00 H new ATOM 1488 N ALA A 95 5.557 2.258 -7.670 1.00 0.00 N ATOM 1489 CA ALA A 95 4.168 2.259 -8.113 1.00 0.00 C ATOM 1490 C ALA A 95 3.286 3.232 -7.289 1.00 0.00 C ATOM 1491 O ALA A 95 2.371 3.863 -7.819 1.00 0.00 O ATOM 1492 CB ALA A 95 3.553 0.843 -8.051 1.00 0.00 C ATOM 0 H ALA A 95 5.876 1.323 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 95 4.185 2.601 -9.148 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.517 0.881 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.120 0.172 -8.696 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.587 0.476 -7.025 1.00 0.00 H new ATOM 1498 N ALA A 96 3.582 3.312 -5.977 1.00 0.00 N ATOM 1499 CA ALA A 96 2.966 4.262 -5.036 1.00 0.00 C ATOM 1500 C ALA A 96 3.147 5.714 -5.527 1.00 0.00 C ATOM 1501 O ALA A 96 2.161 6.430 -5.744 1.00 0.00 O ATOM 1502 CB ALA A 96 3.550 4.103 -3.634 1.00 0.00 C ATOM 0 H ALA A 96 4.271 2.704 -5.534 1.00 0.00 H new ATOM 0 HA ALA A 96 1.900 4.040 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.077 4.817 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.367 3.090 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 96 4.624 4.289 -3.664 1.00 0.00 H new ATOM 1508 N VAL A 97 4.421 6.131 -5.676 1.00 0.00 N ATOM 1509 CA VAL A 97 4.829 7.499 -6.083 1.00 0.00 C ATOM 1510 C VAL A 97 4.031 7.919 -7.334 1.00 0.00 C ATOM 1511 O VAL A 97 3.706 9.119 -7.508 1.00 0.00 O ATOM 1512 CB VAL A 97 6.353 7.553 -6.227 1.00 0.00 C ATOM 1513 CG1 VAL A 97 6.895 8.582 -7.217 1.00 0.00 C ATOM 1514 CG2 VAL A 97 7.074 7.669 -4.854 1.00 0.00 C ATOM 0 H VAL A 97 5.217 5.514 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 97 4.585 8.240 -5.322 1.00 0.00 H new ATOM 0 HB VAL A 97 6.592 6.587 -6.672 1.00 0.00 H new ATOM 0 HG11 VAL A 97 7.984 8.530 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.504 8.370 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.584 9.581 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.152 7.704 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.751 8.580 -4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 97 6.825 6.805 -4.238 1.00 0.00 H new ATOM 1524 N ALA A 98 3.778 6.976 -8.236 1.00 0.00 N ATOM 1525 CA ALA A 98 3.051 7.171 -9.512 1.00 0.00 C ATOM 1526 C ALA A 98 1.576 7.512 -9.231 1.00 0.00 C ATOM 1527 O ALA A 98 0.948 8.310 -9.951 1.00 0.00 O ATOM 1528 CB ALA A 98 3.168 5.945 -10.408 1.00 0.00 C ATOM 0 H ALA A 98 4.081 6.011 -8.104 1.00 0.00 H new ATOM 0 HA ALA A 98 3.507 8.006 -10.044 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.624 6.120 -11.336 1.00 0.00 H new ATOM 0 HB2 ALA A 98 4.218 5.757 -10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.746 5.080 -9.897 1.00 0.00 H new ATOM 1534 N ALA A 99 1.006 6.880 -8.181 1.00 0.00 N ATOM 1535 CA ALA A 99 -0.295 7.212 -7.589 1.00 0.00 C ATOM 1536 C ALA A 99 -0.400 8.714 -7.249 1.00 0.00 C ATOM 1537 O ALA A 99 -1.413 9.356 -7.487 1.00 0.00 O ATOM 1538 CB ALA A 99 -0.575 6.382 -6.346 1.00 0.00 C ATOM 0 H ALA A 99 1.461 6.098 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.047 6.974 -8.341 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.547 6.657 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.577 5.324 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.199 6.570 -5.601 1.00 0.00 H new ATOM 1544 N ILE A 100 0.693 9.232 -6.653 1.00 0.00 N ATOM 1545 CA ILE A 100 0.928 10.668 -6.311 1.00 0.00 C ATOM 1546 C ILE A 100 0.808 11.517 -7.595 1.00 0.00 C ATOM 1547 O ILE A 100 -0.051 12.363 -7.751 1.00 0.00 O ATOM 1548 CB ILE A 100 2.293 10.833 -5.584 1.00 0.00 C ATOM 1549 CG1 ILE A 100 2.152 10.789 -4.058 1.00 0.00 C ATOM 1550 CG2 ILE A 100 3.105 12.038 -6.087 1.00 0.00 C ATOM 1551 CD1 ILE A 100 1.560 12.030 -3.373 1.00 0.00 C ATOM 0 H ILE A 100 1.478 8.641 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 100 0.172 11.027 -5.613 1.00 0.00 H new ATOM 0 HB ILE A 100 2.887 9.960 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.530 9.932 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.139 10.606 -3.632 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.046 12.097 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.311 11.919 -7.151 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.535 12.953 -5.928 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.517 11.865 -2.296 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.188 12.896 -3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.555 12.211 -3.753 1.00 0.00 H new ATOM 1563 N LYS A 101 1.756 11.220 -8.530 1.00 0.00 N ATOM 1564 CA LYS A 101 1.750 11.793 -9.894 1.00 0.00 C ATOM 1565 C LYS A 101 0.384 12.249 -10.364 1.00 0.00 C ATOM 1566 O LYS A 101 0.006 13.440 -10.260 1.00 0.00 O ATOM 1567 CB LYS A 101 2.418 10.845 -10.902 1.00 0.00 C ATOM 1568 CG LYS A 101 2.788 11.597 -12.185 1.00 0.00 C ATOM 1569 CD LYS A 101 3.360 10.697 -13.310 1.00 0.00 C ATOM 1570 CE LYS A 101 2.188 10.047 -14.062 1.00 0.00 C ATOM 1571 NZ LYS A 101 2.117 8.592 -13.733 1.00 0.00 N ATOM 0 H LYS A 101 2.534 10.584 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 101 2.349 12.702 -9.837 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.313 10.407 -10.460 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.743 10.022 -11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.902 12.109 -12.561 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.522 12.366 -11.943 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.968 11.288 -13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 101 4.010 9.931 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.253 10.536 -13.789 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.315 10.180 -15.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.322 8.159 -14.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.004 8.129 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.975 8.474 -12.710 1.00 0.00 H new ATOM 1585 N LYS A 102 -0.410 11.314 -10.960 1.00 0.00 N ATOM 1586 CA LYS A 102 -1.682 11.636 -11.613 1.00 0.00 C ATOM 1587 C LYS A 102 -2.746 12.215 -10.664 1.00 0.00 C ATOM 1588 O LYS A 102 -3.716 12.837 -11.082 1.00 0.00 O ATOM 1589 CB LYS A 102 -2.220 10.528 -12.483 1.00 0.00 C ATOM 1590 CG LYS A 102 -1.830 9.126 -12.013 1.00 0.00 C ATOM 1591 CD LYS A 102 -2.622 7.970 -12.655 1.00 0.00 C ATOM 1592 CE LYS A 102 -2.952 8.370 -14.117 1.00 0.00 C ATOM 1593 NZ LYS A 102 -1.706 8.470 -14.896 1.00 0.00 N ATOM 0 H LYS A 102 -0.173 10.322 -10.993 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.429 12.448 -12.295 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.307 10.600 -12.516 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.860 10.672 -13.502 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.770 8.975 -12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.958 9.075 -10.932 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.038 7.050 -12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.538 7.779 -12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -3.615 7.630 -14.566 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -3.480 9.323 -14.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.589 9.445 -15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.898 8.216 -14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -1.750 7.820 -15.707 1.00 0.00 H new ATOM 1607 N ALA A 103 -2.565 11.932 -9.345 1.00 0.00 N ATOM 1608 CA ALA A 103 -3.206 12.666 -8.245 1.00 0.00 C ATOM 1609 C ALA A 103 -3.025 14.186 -8.406 1.00 0.00 C ATOM 1610 O ALA A 103 -3.870 14.981 -8.002 1.00 0.00 O ATOM 1611 CB ALA A 103 -2.625 12.226 -6.887 1.00 0.00 C ATOM 0 H ALA A 103 -1.960 11.176 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.271 12.434 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.113 12.781 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.797 11.159 -6.746 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.554 12.426 -6.867 1.00 0.00 H new ATOM 1617 N ALA A 104 -1.855 14.579 -8.957 1.00 0.00 N ATOM 1618 CA ALA A 104 -1.507 15.940 -9.373 1.00 0.00 C ATOM 1619 C ALA A 104 -2.447 16.482 -10.463 1.00 0.00 C ATOM 1620 O ALA A 104 -2.144 16.410 -11.661 1.00 0.00 O ATOM 1621 CB ALA A 104 -0.045 16.016 -9.840 1.00 0.00 C ATOM 0 H ALA A 104 -1.097 13.918 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.631 16.575 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.187 17.037 -10.143 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.614 15.721 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.102 15.344 -10.685 1.00 0.00 H new ATOM 1627 N ALA A 105 -3.623 16.984 -10.030 1.00 0.00 N ATOM 1628 CA ALA A 105 -4.519 17.842 -10.820 1.00 0.00 C ATOM 1629 C ALA A 105 -5.104 17.098 -12.033 1.00 0.00 C ATOM 1630 O ALA A 105 -4.911 15.873 -12.180 1.00 0.00 O ATOM 1631 CB ALA A 105 -3.777 19.105 -11.287 1.00 0.00 C ATOM 0 H ALA A 105 -3.982 16.796 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.348 18.128 -10.173 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.453 19.730 -11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.426 19.663 -10.419 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -2.925 18.819 -11.903 1.00 0.00 H new ATOM 1637 N ASN A 106 -5.851 17.818 -12.886 1.00 0.00 N ATOM 1638 CA ASN A 106 -6.436 17.361 -14.155 1.00 0.00 C ATOM 1639 C ASN A 106 -7.736 16.559 -13.896 1.00 0.00 C ATOM 1640 O ASN A 106 -7.977 16.149 -12.733 1.00 0.00 O ATOM 1641 CB ASN A 106 -5.422 16.546 -14.965 1.00 0.00 C ATOM 1642 CG ASN A 106 -5.650 16.592 -16.479 1.00 0.00 C ATOM 1643 OD1 ASN A 106 -6.141 15.651 -17.137 1.00 0.00 O ATOM 1644 ND2 ASN A 106 -5.260 17.698 -17.138 1.00 0.00 N ATOM 0 H ASN A 106 -6.076 18.794 -12.695 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.697 18.236 -14.750 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.419 16.914 -14.748 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.459 15.508 -14.634 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.369 17.753 -18.151 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -4.856 18.481 -16.625 1.00 0.00 H new TER 1651 ASN A 106