USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 958 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 35 LYS NZ :NH3+ -179:sc= -2.57! (180deg=-2.7!) USER MOD Set 1.2: A 109 TYR OH : rot 30:sc= -2.37 USER MOD Set 2.1: A 81 ASN : amide:sc= -0.175 K(o=-2.3,f=-3.7) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -2.12 K(o=-2.3,f=-3.9) USER MOD Set 2.3: A 106 TYR OH : rot -15:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.0434 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -133:sc= -0.526 (180deg=-2.46!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -104:sc= 0.0877 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 143:sc= -2.37! (180deg=-2.8!) USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= -0.0202 (180deg=-0.238) USER MOD Single : A 18 SER OG : rot -78:sc= -0.467 USER MOD Single : A 27 ASN : amide:sc= -0.299 X(o=-0.3,f=0) USER MOD Single : A 33 CYS SG : rot 0:sc= -5.16! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -154:sc= -1.06! USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.0991 (180deg=-0.617) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.185 USER MOD Single : A 56 THR OG1 : rot 116:sc= 0.0177 USER MOD Single : A 59 GLN : amide:sc= -1.15 K(o=-1.1,f=-4.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= -0.145 (180deg=-0.801) USER MOD Single : A 69 MET CE :methyl 161:sc= -0.101 (180deg=-0.885) USER MOD Single : A 74 LYS NZ :NH3+ -159:sc= -0.0171 (180deg=-0.206) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -10:sc= -1.62! USER MOD Single : A 91 MET CE :methyl -146:sc= -0.344 (180deg=-1.61) USER MOD Single : A 92 SER OG : rot 170:sc= -0.346 USER MOD Single : A 95 TYR OH : rot 119:sc= 1.06 USER MOD Single : A 96 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.65) USER MOD Single : A 99 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 108 THR OG1 : rot -48:sc= -0.25 USER MOD Single : A 110 SER OG : rot 180:sc= -2.06! USER MOD Single : A 113 ASN : amide:sc= 0.482 X(o=0.48,f=0.051) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.214 -4.266 -2.527 1.00 2.25 N ATOM 2 CA MET A 1 2.337 -4.254 -3.449 1.00 53.51 C ATOM 3 C MET A 1 3.649 -3.975 -2.713 1.00 33.33 C ATOM 4 O MET A 1 3.650 -3.350 -1.653 1.00 75.42 O ATOM 5 CB MET A 1 2.111 -3.178 -4.514 1.00 32.41 C ATOM 6 CG MET A 1 2.889 -3.500 -5.791 1.00 42.24 C ATOM 7 SD MET A 1 2.641 -2.209 -6.999 1.00 14.02 S ATOM 8 CE MET A 1 1.407 -2.983 -8.030 1.00 74.05 C ATOM 0 H1 MET A 1 0.899 -5.246 -2.377 1.00 2.25 H new ATOM 0 H2 MET A 1 1.506 -3.853 -1.618 1.00 2.25 H new ATOM 0 H3 MET A 1 0.432 -3.708 -2.925 1.00 2.25 H new ATOM 0 HA MET A 1 2.407 -5.235 -3.919 1.00 53.51 H new ATOM 0 HB2 MET A 1 1.047 -3.103 -4.741 1.00 32.41 H new ATOM 0 HB3 MET A 1 2.424 -2.208 -4.128 1.00 32.41 H new ATOM 0 HG2 MET A 1 3.951 -3.599 -5.565 1.00 42.24 H new ATOM 0 HG3 MET A 1 2.559 -4.457 -6.196 1.00 42.24 H new ATOM 0 HE1 MET A 1 1.136 -2.308 -8.842 1.00 74.05 H new ATOM 0 HE2 MET A 1 1.808 -3.907 -8.446 1.00 74.05 H new ATOM 0 HE3 MET A 1 0.523 -3.207 -7.433 1.00 74.05 H new ATOM 18 N LYS A 2 4.734 -4.453 -3.303 1.00 43.00 N ATOM 19 CA LYS A 2 6.050 -4.264 -2.716 1.00 41.53 C ATOM 20 C LYS A 2 6.522 -2.833 -2.985 1.00 64.30 C ATOM 21 O LYS A 2 6.728 -2.058 -2.052 1.00 65.34 O ATOM 22 CB LYS A 2 7.020 -5.336 -3.217 1.00 53.24 C ATOM 23 CG LYS A 2 6.419 -6.734 -3.061 1.00 71.33 C ATOM 24 CD LYS A 2 7.402 -7.809 -3.529 1.00 45.23 C ATOM 25 CE LYS A 2 8.388 -8.172 -2.417 1.00 2.41 C ATOM 26 NZ LYS A 2 9.500 -7.196 -2.371 1.00 11.42 N ATOM 0 H LYS A 2 4.729 -4.971 -4.182 1.00 43.00 H new ATOM 0 HA LYS A 2 6.006 -4.388 -1.634 1.00 41.53 H new ATOM 0 HB2 LYS A 2 7.260 -5.154 -4.265 1.00 53.24 H new ATOM 0 HB3 LYS A 2 7.955 -5.274 -2.661 1.00 53.24 H new ATOM 0 HG2 LYS A 2 6.156 -6.906 -2.017 1.00 71.33 H new ATOM 0 HG3 LYS A 2 5.497 -6.804 -3.638 1.00 71.33 H new ATOM 0 HD2 LYS A 2 6.853 -8.699 -3.838 1.00 45.23 H new ATOM 0 HD3 LYS A 2 7.948 -7.452 -4.402 1.00 45.23 H new ATOM 0 HE2 LYS A 2 7.872 -8.190 -1.457 1.00 2.41 H new ATOM 0 HE3 LYS A 2 8.783 -9.174 -2.586 1.00 2.41 H new ATOM 0 HZ1 LYS A 2 10.406 -7.704 -2.311 1.00 11.42 H new ATOM 0 HZ2 LYS A 2 9.486 -6.613 -3.232 1.00 11.42 H new ATOM 0 HZ3 LYS A 2 9.390 -6.584 -1.537 1.00 11.42 H new ATOM 39 N SER A 3 6.680 -2.527 -4.264 1.00 42.23 N ATOM 40 CA SER A 3 7.124 -1.203 -4.668 1.00 24.45 C ATOM 41 C SER A 3 6.050 -0.529 -5.523 1.00 63.14 C ATOM 42 O SER A 3 5.791 -0.953 -6.648 1.00 71.54 O ATOM 43 CB SER A 3 8.446 -1.276 -5.435 1.00 21.13 C ATOM 44 OG SER A 3 9.003 0.016 -5.663 1.00 73.20 O ATOM 0 H SER A 3 6.509 -3.173 -5.035 1.00 42.23 H new ATOM 0 HA SER A 3 7.289 -0.608 -3.769 1.00 24.45 H new ATOM 0 HB2 SER A 3 9.157 -1.884 -4.875 1.00 21.13 H new ATOM 0 HB3 SER A 3 8.284 -1.775 -6.391 1.00 21.13 H new ATOM 0 HG SER A 3 9.847 -0.073 -6.154 1.00 73.20 H new ATOM 50 N THR A 4 5.454 0.510 -4.958 1.00 5.34 N ATOM 51 CA THR A 4 4.414 1.247 -5.655 1.00 3.53 C ATOM 52 C THR A 4 5.025 2.128 -6.747 1.00 22.23 C ATOM 53 O THR A 4 4.374 2.424 -7.747 1.00 54.20 O ATOM 54 CB THR A 4 3.616 2.036 -4.615 1.00 34.32 C ATOM 55 OG1 THR A 4 4.607 2.536 -3.722 1.00 50.41 O ATOM 56 CG2 THR A 4 2.746 1.133 -3.737 1.00 52.13 C ATOM 0 H THR A 4 5.672 0.859 -4.025 1.00 5.34 H new ATOM 0 HA THR A 4 3.729 0.573 -6.170 1.00 3.53 H new ATOM 0 HB THR A 4 2.986 2.768 -5.120 1.00 34.32 H new ATOM 0 HG1 THR A 4 4.596 2.012 -2.894 1.00 50.41 H new ATOM 0 HG21 THR A 4 2.201 1.742 -3.016 1.00 52.13 H new ATOM 0 HG22 THR A 4 2.038 0.590 -4.363 1.00 52.13 H new ATOM 0 HG23 THR A 4 3.379 0.422 -3.206 1.00 52.13 H new ATOM 64 N PHE A 5 6.269 2.521 -6.518 1.00 4.32 N ATOM 65 CA PHE A 5 6.976 3.362 -7.470 1.00 34.13 C ATOM 66 C PHE A 5 6.948 2.747 -8.870 1.00 64.43 C ATOM 67 O PHE A 5 7.092 3.454 -9.866 1.00 51.31 O ATOM 68 CB PHE A 5 8.427 3.454 -6.994 1.00 51.23 C ATOM 69 CG PHE A 5 9.131 4.753 -7.393 1.00 13.04 C ATOM 70 CD1 PHE A 5 9.419 4.997 -8.699 1.00 42.11 C ATOM 71 CD2 PHE A 5 9.468 5.663 -6.440 1.00 50.32 C ATOM 72 CE1 PHE A 5 10.072 6.202 -9.069 1.00 5.43 C ATOM 73 CE2 PHE A 5 10.121 6.869 -6.810 1.00 24.32 C ATOM 74 CZ PHE A 5 10.410 7.113 -8.116 1.00 72.23 C ATOM 0 H PHE A 5 6.806 2.273 -5.687 1.00 4.32 H new ATOM 0 HA PHE A 5 6.503 4.343 -7.524 1.00 34.13 H new ATOM 0 HB2 PHE A 5 8.449 3.359 -5.908 1.00 51.23 H new ATOM 0 HB3 PHE A 5 8.986 2.610 -7.399 1.00 51.23 H new ATOM 0 HD1 PHE A 5 9.151 4.274 -9.455 1.00 42.11 H new ATOM 0 HD2 PHE A 5 9.239 5.469 -5.403 1.00 50.32 H new ATOM 0 HE1 PHE A 5 10.301 6.396 -10.107 1.00 5.43 H new ATOM 0 HE2 PHE A 5 10.388 7.592 -6.054 1.00 24.32 H new ATOM 0 HZ PHE A 5 10.908 8.029 -8.397 1.00 72.23 H new ATOM 84 N LYS A 6 6.763 1.435 -8.902 1.00 43.02 N ATOM 85 CA LYS A 6 6.715 0.716 -10.164 1.00 44.42 C ATOM 86 C LYS A 6 5.580 1.277 -11.023 1.00 12.23 C ATOM 87 O LYS A 6 5.824 1.859 -12.079 1.00 21.24 O ATOM 88 CB LYS A 6 6.615 -0.790 -9.919 1.00 73.52 C ATOM 89 CG LYS A 6 7.100 -1.578 -11.138 1.00 51.22 C ATOM 90 CD LYS A 6 6.952 -3.084 -10.913 1.00 14.23 C ATOM 91 CE LYS A 6 7.496 -3.873 -12.105 1.00 40.11 C ATOM 92 NZ LYS A 6 7.676 -5.297 -11.745 1.00 64.12 N ATOM 0 H LYS A 6 6.645 0.851 -8.074 1.00 43.02 H new ATOM 0 HA LYS A 6 7.640 0.863 -10.722 1.00 44.42 H new ATOM 0 HB2 LYS A 6 7.210 -1.060 -9.047 1.00 73.52 H new ATOM 0 HB3 LYS A 6 5.582 -1.058 -9.696 1.00 73.52 H new ATOM 0 HG2 LYS A 6 6.530 -1.281 -12.018 1.00 51.22 H new ATOM 0 HG3 LYS A 6 8.144 -1.338 -11.339 1.00 51.22 H new ATOM 0 HD2 LYS A 6 7.484 -3.374 -10.007 1.00 14.23 H new ATOM 0 HD3 LYS A 6 5.902 -3.331 -10.758 1.00 14.23 H new ATOM 0 HE2 LYS A 6 6.810 -3.789 -12.948 1.00 40.11 H new ATOM 0 HE3 LYS A 6 8.448 -3.450 -12.425 1.00 40.11 H new ATOM 0 HZ1 LYS A 6 8.046 -5.818 -12.565 1.00 64.12 H new ATOM 0 HZ2 LYS A 6 8.348 -5.373 -10.955 1.00 64.12 H new ATOM 0 HZ3 LYS A 6 6.761 -5.702 -11.462 1.00 64.12 H new ATOM 105 N SER A 7 4.362 1.083 -10.537 1.00 65.33 N ATOM 106 CA SER A 7 3.188 1.562 -11.247 1.00 25.21 C ATOM 107 C SER A 7 2.832 2.973 -10.776 1.00 1.21 C ATOM 108 O SER A 7 2.699 3.887 -11.588 1.00 50.40 O ATOM 109 CB SER A 7 2.000 0.619 -11.045 1.00 44.24 C ATOM 110 OG SER A 7 0.755 1.307 -11.121 1.00 75.10 O ATOM 0 H SER A 7 4.163 0.601 -9.660 1.00 65.33 H new ATOM 0 HA SER A 7 3.419 1.589 -12.312 1.00 25.21 H new ATOM 0 HB2 SER A 7 2.027 -0.166 -11.801 1.00 44.24 H new ATOM 0 HB3 SER A 7 2.086 0.130 -10.074 1.00 44.24 H new ATOM 0 HG SER A 7 0.021 0.671 -10.989 1.00 75.10 H new ATOM 116 N GLU A 8 2.688 3.106 -9.466 1.00 13.43 N ATOM 117 CA GLU A 8 2.349 4.391 -8.877 1.00 23.02 C ATOM 118 C GLU A 8 3.132 5.512 -9.563 1.00 53.34 C ATOM 119 O GLU A 8 2.631 6.627 -9.704 1.00 42.04 O ATOM 120 CB GLU A 8 2.606 4.387 -7.369 1.00 0.45 C ATOM 121 CG GLU A 8 1.743 5.435 -6.663 1.00 12.21 C ATOM 122 CD GLU A 8 0.340 4.892 -6.383 1.00 62.21 C ATOM 123 OE1 GLU A 8 -0.205 4.134 -7.199 1.00 54.33 O ATOM 124 OE2 GLU A 8 -0.184 5.282 -5.271 1.00 1.21 O ATOM 0 H GLU A 8 2.800 2.346 -8.795 1.00 13.43 H new ATOM 0 HA GLU A 8 1.285 4.570 -9.031 1.00 23.02 H new ATOM 0 HB2 GLU A 8 2.390 3.399 -6.962 1.00 0.45 H new ATOM 0 HB3 GLU A 8 3.660 4.588 -7.175 1.00 0.45 H new ATOM 0 HG2 GLU A 8 2.216 5.730 -5.726 1.00 12.21 H new ATOM 0 HG3 GLU A 8 1.674 6.330 -7.281 1.00 12.21 H new ATOM 132 N TYR A 9 4.347 5.178 -9.972 1.00 52.14 N ATOM 133 CA TYR A 9 5.203 6.143 -10.641 1.00 3.02 C ATOM 134 C TYR A 9 5.895 5.515 -11.853 1.00 13.41 C ATOM 135 O TYR A 9 6.021 4.295 -11.937 1.00 72.20 O ATOM 136 CB TYR A 9 6.265 6.546 -9.615 1.00 53.34 C ATOM 137 CG TYR A 9 5.842 7.699 -8.703 1.00 11.22 C ATOM 138 CD1 TYR A 9 5.642 8.959 -9.230 1.00 21.11 C ATOM 139 CD2 TYR A 9 5.660 7.479 -7.352 1.00 43.53 C ATOM 140 CE1 TYR A 9 5.244 10.044 -8.371 1.00 22.00 C ATOM 141 CE2 TYR A 9 5.262 8.565 -6.493 1.00 64.44 C ATOM 142 CZ TYR A 9 5.074 9.793 -7.045 1.00 40.31 C ATOM 143 OH TYR A 9 4.698 10.818 -6.234 1.00 2.21 O ATOM 0 H TYR A 9 4.759 4.253 -9.853 1.00 52.14 H new ATOM 0 HA TYR A 9 4.620 6.993 -10.996 1.00 3.02 H new ATOM 0 HB2 TYR A 9 6.508 5.680 -9.000 1.00 53.34 H new ATOM 0 HB3 TYR A 9 7.176 6.829 -10.142 1.00 53.34 H new ATOM 0 HD1 TYR A 9 5.784 9.131 -10.287 1.00 21.11 H new ATOM 0 HD2 TYR A 9 5.816 6.493 -6.939 1.00 43.53 H new ATOM 0 HE1 TYR A 9 5.084 11.035 -8.771 1.00 22.00 H new ATOM 0 HE2 TYR A 9 5.116 8.407 -5.435 1.00 64.44 H new ATOM 0 HH TYR A 9 4.614 10.493 -5.313 1.00 2.21 H new ATOM 153 N PRO A 10 6.336 6.401 -12.786 1.00 11.45 N ATOM 154 CA PRO A 10 7.011 5.947 -13.989 1.00 42.01 C ATOM 155 C PRO A 10 8.443 5.505 -13.681 1.00 4.52 C ATOM 156 O PRO A 10 8.939 5.720 -12.575 1.00 75.04 O ATOM 157 CB PRO A 10 6.946 7.126 -14.946 1.00 1.32 C ATOM 158 CG PRO A 10 6.653 8.345 -14.086 1.00 33.10 C ATOM 159 CD PRO A 10 6.204 7.854 -12.719 1.00 70.13 C ATOM 0 HA PRO A 10 6.540 5.068 -14.429 1.00 42.01 H new ATOM 0 HB2 PRO A 10 7.886 7.245 -15.484 1.00 1.32 H new ATOM 0 HB3 PRO A 10 6.167 6.979 -15.694 1.00 1.32 H new ATOM 0 HG2 PRO A 10 7.541 8.970 -13.994 1.00 33.10 H new ATOM 0 HG3 PRO A 10 5.878 8.959 -14.545 1.00 33.10 H new ATOM 0 HD2 PRO A 10 6.823 8.272 -11.925 1.00 70.13 H new ATOM 0 HD3 PRO A 10 5.176 8.149 -12.510 1.00 70.13 H new ATOM 167 N PHE A 11 9.069 4.897 -14.678 1.00 35.12 N ATOM 168 CA PHE A 11 10.434 4.423 -14.527 1.00 40.51 C ATOM 169 C PHE A 11 11.435 5.469 -15.024 1.00 72.31 C ATOM 170 O PHE A 11 12.621 5.397 -14.708 1.00 2.03 O ATOM 171 CB PHE A 11 10.567 3.161 -15.381 1.00 54.24 C ATOM 172 CG PHE A 11 10.849 3.437 -16.860 1.00 1.04 C ATOM 173 CD1 PHE A 11 12.120 3.689 -17.274 1.00 31.05 C ATOM 174 CD2 PHE A 11 9.829 3.430 -17.760 1.00 5.34 C ATOM 175 CE1 PHE A 11 12.382 3.945 -18.645 1.00 61.15 C ATOM 176 CE2 PHE A 11 10.092 3.686 -19.131 1.00 52.25 C ATOM 177 CZ PHE A 11 11.362 3.938 -19.545 1.00 45.15 C ATOM 0 H PHE A 11 8.656 4.722 -15.594 1.00 35.12 H new ATOM 0 HA PHE A 11 10.646 4.226 -13.476 1.00 40.51 H new ATOM 0 HB2 PHE A 11 11.370 2.545 -14.977 1.00 54.24 H new ATOM 0 HB3 PHE A 11 9.648 2.581 -15.299 1.00 54.24 H new ATOM 0 HD1 PHE A 11 12.930 3.694 -16.559 1.00 31.05 H new ATOM 0 HD2 PHE A 11 8.820 3.230 -17.432 1.00 5.34 H new ATOM 0 HE1 PHE A 11 13.391 4.145 -18.974 1.00 61.15 H new ATOM 0 HE2 PHE A 11 9.282 3.681 -19.846 1.00 52.25 H new ATOM 0 HZ PHE A 11 11.561 4.133 -20.588 1.00 45.15 H new ATOM 187 N GLU A 12 10.919 6.416 -15.794 1.00 64.43 N ATOM 188 CA GLU A 12 11.753 7.474 -16.338 1.00 40.21 C ATOM 189 C GLU A 12 12.085 8.500 -15.252 1.00 75.30 C ATOM 190 O GLU A 12 13.121 9.159 -15.312 1.00 1.23 O ATOM 191 CB GLU A 12 11.077 8.144 -17.536 1.00 70.32 C ATOM 192 CG GLU A 12 10.885 7.150 -18.683 1.00 71.34 C ATOM 193 CD GLU A 12 10.348 7.851 -19.933 1.00 11.34 C ATOM 194 OE1 GLU A 12 9.626 7.233 -20.729 1.00 64.31 O ATOM 195 OE2 GLU A 12 10.704 9.084 -20.061 1.00 0.51 O ATOM 0 H GLU A 12 9.934 6.473 -16.054 1.00 64.43 H new ATOM 0 HA GLU A 12 12.685 7.031 -16.689 1.00 40.21 H new ATOM 0 HB2 GLU A 12 10.111 8.548 -17.234 1.00 70.32 H new ATOM 0 HB3 GLU A 12 11.681 8.985 -17.876 1.00 70.32 H new ATOM 0 HG2 GLU A 12 11.835 6.667 -18.913 1.00 71.34 H new ATOM 0 HG3 GLU A 12 10.194 6.365 -18.377 1.00 71.34 H new ATOM 203 N LYS A 13 11.185 8.602 -14.285 1.00 33.20 N ATOM 204 CA LYS A 13 11.369 9.536 -13.187 1.00 74.22 C ATOM 205 C LYS A 13 12.734 9.294 -12.540 1.00 71.55 C ATOM 206 O LYS A 13 13.629 10.132 -12.638 1.00 74.13 O ATOM 207 CB LYS A 13 10.198 9.446 -12.205 1.00 65.05 C ATOM 208 CG LYS A 13 9.070 10.397 -12.609 1.00 73.34 C ATOM 209 CD LYS A 13 9.254 11.772 -11.964 1.00 73.31 C ATOM 210 CE LYS A 13 10.366 12.559 -12.659 1.00 43.13 C ATOM 211 NZ LYS A 13 10.203 12.499 -14.129 1.00 64.31 N ATOM 0 H LYS A 13 10.326 8.053 -14.239 1.00 33.20 H new ATOM 0 HA LYS A 13 11.368 10.562 -13.555 1.00 74.22 H new ATOM 0 HB2 LYS A 13 9.823 8.423 -12.174 1.00 65.05 H new ATOM 0 HB3 LYS A 13 10.542 9.690 -11.200 1.00 65.05 H new ATOM 0 HG2 LYS A 13 9.048 10.500 -13.694 1.00 73.34 H new ATOM 0 HG3 LYS A 13 8.110 9.976 -12.309 1.00 73.34 H new ATOM 0 HD2 LYS A 13 8.320 12.331 -12.018 1.00 73.31 H new ATOM 0 HD3 LYS A 13 9.494 11.653 -10.907 1.00 73.31 H new ATOM 0 HE2 LYS A 13 10.347 13.597 -12.327 1.00 43.13 H new ATOM 0 HE3 LYS A 13 11.338 12.152 -12.378 1.00 43.13 H new ATOM 0 HZ1 LYS A 13 10.471 13.413 -14.546 1.00 64.31 H new ATOM 0 HZ2 LYS A 13 10.812 11.750 -14.516 1.00 64.31 H new ATOM 0 HZ3 LYS A 13 9.210 12.291 -14.360 1.00 64.31 H new ATOM 224 N ARG A 14 12.851 8.143 -11.894 1.00 31.00 N ATOM 225 CA ARG A 14 14.092 7.780 -11.231 1.00 60.23 C ATOM 226 C ARG A 14 15.271 7.925 -12.196 1.00 10.54 C ATOM 227 O ARG A 14 16.317 8.457 -11.827 1.00 21.13 O ATOM 228 CB ARG A 14 14.040 6.341 -10.714 1.00 73.24 C ATOM 229 CG ARG A 14 13.286 6.263 -9.385 1.00 61.20 C ATOM 230 CD ARG A 14 12.780 4.843 -9.124 1.00 61.41 C ATOM 231 NE ARG A 14 12.233 4.744 -7.752 1.00 41.35 N ATOM 232 CZ ARG A 14 11.985 3.579 -7.118 1.00 72.44 C ATOM 233 NH1 ARG A 14 12.233 2.400 -7.729 1.00 1.33 N ATOM 234 NH2 ARG A 14 11.495 3.608 -5.893 1.00 4.22 N ATOM 0 H ARG A 14 12.107 7.450 -11.816 1.00 31.00 H new ATOM 0 HA ARG A 14 14.225 8.454 -10.385 1.00 60.23 H new ATOM 0 HB2 ARG A 14 13.552 5.703 -11.451 1.00 73.24 H new ATOM 0 HB3 ARG A 14 15.053 5.961 -10.584 1.00 73.24 H new ATOM 0 HG2 ARG A 14 13.942 6.574 -8.572 1.00 61.20 H new ATOM 0 HG3 ARG A 14 12.445 6.956 -9.399 1.00 61.20 H new ATOM 0 HD2 ARG A 14 12.010 4.583 -9.851 1.00 61.41 H new ATOM 0 HD3 ARG A 14 13.594 4.129 -9.252 1.00 61.41 H new ATOM 0 HE ARG A 14 12.031 5.611 -7.255 1.00 41.35 H new ATOM 0 HH11 ARG A 14 12.611 2.386 -8.676 1.00 1.33 H new ATOM 0 HH12 ARG A 14 12.043 1.524 -7.243 1.00 1.33 H new ATOM 0 HH21 ARG A 14 11.309 4.502 -5.439 1.00 4.22 H new ATOM 0 HH22 ARG A 14 11.302 2.736 -5.400 1.00 4.22 H new ATOM 247 N LYS A 15 15.062 7.444 -13.412 1.00 62.01 N ATOM 248 CA LYS A 15 16.095 7.514 -14.432 1.00 73.11 C ATOM 249 C LYS A 15 16.730 8.906 -14.414 1.00 74.13 C ATOM 250 O LYS A 15 17.949 9.035 -14.315 1.00 33.25 O ATOM 251 CB LYS A 15 15.529 7.114 -15.796 1.00 34.51 C ATOM 252 CG LYS A 15 16.610 7.173 -16.877 1.00 73.51 C ATOM 253 CD LYS A 15 16.342 6.143 -17.977 1.00 12.30 C ATOM 254 CE LYS A 15 16.702 4.732 -17.507 1.00 40.51 C ATOM 255 NZ LYS A 15 18.171 4.574 -17.421 1.00 0.22 N ATOM 0 H LYS A 15 14.193 7.004 -13.714 1.00 62.01 H new ATOM 0 HA LYS A 15 16.889 6.798 -14.220 1.00 73.11 H new ATOM 0 HB2 LYS A 15 15.119 6.106 -15.742 1.00 34.51 H new ATOM 0 HB3 LYS A 15 14.707 7.779 -16.062 1.00 34.51 H new ATOM 0 HG2 LYS A 15 16.642 8.173 -17.310 1.00 73.51 H new ATOM 0 HG3 LYS A 15 17.587 6.987 -16.430 1.00 73.51 H new ATOM 0 HD2 LYS A 15 15.291 6.177 -18.264 1.00 12.30 H new ATOM 0 HD3 LYS A 15 16.923 6.394 -18.864 1.00 12.30 H new ATOM 0 HE2 LYS A 15 16.252 4.541 -16.533 1.00 40.51 H new ATOM 0 HE3 LYS A 15 16.291 3.996 -18.198 1.00 40.51 H new ATOM 0 HZ1 LYS A 15 18.411 3.562 -17.403 1.00 0.22 H new ATOM 0 HZ2 LYS A 15 18.617 5.021 -18.247 1.00 0.22 H new ATOM 0 HZ3 LYS A 15 18.519 5.027 -16.552 1.00 0.22 H new ATOM 268 N ALA A 16 15.874 9.913 -14.513 1.00 20.22 N ATOM 269 CA ALA A 16 16.336 11.290 -14.509 1.00 50.43 C ATOM 270 C ALA A 16 16.956 11.613 -13.148 1.00 33.40 C ATOM 271 O ALA A 16 18.120 12.002 -13.068 1.00 54.34 O ATOM 272 CB ALA A 16 15.171 12.220 -14.854 1.00 42.55 C ATOM 0 H ALA A 16 14.863 9.802 -14.596 1.00 20.22 H new ATOM 0 HA ALA A 16 17.107 11.438 -15.265 1.00 50.43 H new ATOM 0 HB1 ALA A 16 15.517 13.254 -14.851 1.00 42.55 H new ATOM 0 HB2 ALA A 16 14.786 11.969 -15.842 1.00 42.55 H new ATOM 0 HB3 ALA A 16 14.379 12.101 -14.115 1.00 42.55 H new ATOM 278 N GLU A 17 16.150 11.438 -12.111 1.00 22.33 N ATOM 279 CA GLU A 17 16.605 11.705 -10.757 1.00 31.03 C ATOM 280 C GLU A 17 18.022 11.165 -10.556 1.00 44.05 C ATOM 281 O GLU A 17 18.787 11.700 -9.755 1.00 51.43 O ATOM 282 CB GLU A 17 15.641 11.111 -9.727 1.00 64.35 C ATOM 283 CG GLU A 17 15.909 11.681 -8.333 1.00 33.30 C ATOM 284 CD GLU A 17 15.027 11.000 -7.284 1.00 65.50 C ATOM 285 OE1 GLU A 17 14.933 9.763 -7.262 1.00 4.33 O ATOM 286 OE2 GLU A 17 14.428 11.802 -6.471 1.00 41.11 O ATOM 0 H GLU A 17 15.185 11.115 -12.181 1.00 22.33 H new ATOM 0 HA GLU A 17 16.624 12.785 -10.608 1.00 31.03 H new ATOM 0 HB2 GLU A 17 14.613 11.325 -10.020 1.00 64.35 H new ATOM 0 HB3 GLU A 17 15.748 10.026 -9.707 1.00 64.35 H new ATOM 0 HG2 GLU A 17 16.959 11.543 -8.075 1.00 33.30 H new ATOM 0 HG3 GLU A 17 15.719 12.754 -8.332 1.00 33.30 H new ATOM 294 N SER A 18 18.330 10.111 -11.298 1.00 42.33 N ATOM 295 CA SER A 18 19.642 9.493 -11.212 1.00 43.03 C ATOM 296 C SER A 18 20.599 10.156 -12.205 1.00 42.01 C ATOM 297 O SER A 18 21.762 10.398 -11.885 1.00 11.31 O ATOM 298 CB SER A 18 19.561 7.989 -11.478 1.00 33.54 C ATOM 299 OG SER A 18 18.522 7.664 -12.397 1.00 54.35 O ATOM 0 H SER A 18 17.693 9.670 -11.961 1.00 42.33 H new ATOM 0 HA SER A 18 20.021 9.636 -10.200 1.00 43.03 H new ATOM 0 HB2 SER A 18 20.515 7.639 -11.871 1.00 33.54 H new ATOM 0 HB3 SER A 18 19.391 7.463 -10.538 1.00 33.54 H new ATOM 0 HG SER A 18 17.658 7.689 -11.936 1.00 54.35 H new ATOM 305 N GLU A 19 20.075 10.431 -13.390 1.00 75.53 N ATOM 306 CA GLU A 19 20.868 11.061 -14.432 1.00 74.31 C ATOM 307 C GLU A 19 21.413 12.405 -13.944 1.00 72.54 C ATOM 308 O GLU A 19 22.465 12.853 -14.397 1.00 61.42 O ATOM 309 CB GLU A 19 20.051 11.233 -15.714 1.00 52.22 C ATOM 310 CG GLU A 19 19.780 9.881 -16.378 1.00 2.41 C ATOM 311 CD GLU A 19 20.879 9.535 -17.385 1.00 10.22 C ATOM 312 OE1 GLU A 19 21.406 10.432 -18.060 1.00 73.23 O ATOM 313 OE2 GLU A 19 21.183 8.283 -17.451 1.00 54.25 O ATOM 0 H GLU A 19 19.110 10.229 -13.652 1.00 75.53 H new ATOM 0 HA GLU A 19 21.712 10.411 -14.663 1.00 74.31 H new ATOM 0 HB2 GLU A 19 19.106 11.725 -15.484 1.00 52.22 H new ATOM 0 HB3 GLU A 19 20.587 11.881 -16.407 1.00 52.22 H new ATOM 0 HG2 GLU A 19 19.721 9.103 -15.617 1.00 2.41 H new ATOM 0 HG3 GLU A 19 18.814 9.907 -16.883 1.00 2.41 H new ATOM 321 N ARG A 20 20.672 13.010 -13.028 1.00 23.14 N ATOM 322 CA ARG A 20 21.068 14.293 -12.474 1.00 4.53 C ATOM 323 C ARG A 20 22.124 14.098 -11.384 1.00 3.22 C ATOM 324 O ARG A 20 23.179 14.730 -11.416 1.00 10.31 O ATOM 325 CB ARG A 20 19.866 15.033 -11.883 1.00 23.00 C ATOM 326 CG ARG A 20 18.824 15.335 -12.962 1.00 2.13 C ATOM 327 CD ARG A 20 17.508 15.801 -12.337 1.00 14.10 C ATOM 328 NE ARG A 20 16.593 16.293 -13.392 1.00 20.34 N ATOM 329 CZ ARG A 20 15.611 17.195 -13.182 1.00 3.33 C ATOM 330 NH1 ARG A 20 15.408 17.713 -11.952 1.00 5.44 N ATOM 331 NH2 ARG A 20 14.853 17.564 -14.197 1.00 73.41 N ATOM 0 H ARG A 20 19.799 12.635 -12.656 1.00 23.14 H new ATOM 0 HA ARG A 20 21.484 14.890 -13.286 1.00 4.53 H new ATOM 0 HB2 ARG A 20 19.415 14.430 -11.095 1.00 23.00 H new ATOM 0 HB3 ARG A 20 20.198 15.963 -11.422 1.00 23.00 H new ATOM 0 HG2 ARG A 20 19.204 16.104 -13.635 1.00 2.13 H new ATOM 0 HG3 ARG A 20 18.649 14.443 -13.564 1.00 2.13 H new ATOM 0 HD2 ARG A 20 17.042 14.978 -11.795 1.00 14.10 H new ATOM 0 HD3 ARG A 20 17.700 16.592 -11.612 1.00 14.10 H new ATOM 0 HE ARG A 20 16.712 15.927 -14.337 1.00 20.34 H new ATOM 0 HH11 ARG A 20 15.999 17.423 -11.173 1.00 5.44 H new ATOM 0 HH12 ARG A 20 14.664 18.394 -11.802 1.00 5.44 H new ATOM 0 HH21 ARG A 20 15.013 17.169 -15.123 1.00 73.41 H new ATOM 0 HH22 ARG A 20 14.107 18.245 -14.055 1.00 73.41 H new ATOM 344 N ILE A 21 21.804 13.220 -10.445 1.00 11.34 N ATOM 345 CA ILE A 21 22.712 12.934 -9.347 1.00 32.21 C ATOM 346 C ILE A 21 23.991 12.302 -9.900 1.00 74.11 C ATOM 347 O ILE A 21 25.019 12.282 -9.226 1.00 23.11 O ATOM 348 CB ILE A 21 22.015 12.082 -8.284 1.00 1.23 C ATOM 349 CG1 ILE A 21 21.122 12.944 -7.389 1.00 51.33 C ATOM 350 CG2 ILE A 21 23.033 11.277 -7.473 1.00 14.55 C ATOM 351 CD1 ILE A 21 20.044 12.097 -6.711 1.00 31.31 C ATOM 0 H ILE A 21 20.929 12.697 -10.422 1.00 11.34 H new ATOM 0 HA ILE A 21 23.003 13.856 -8.843 1.00 32.21 H new ATOM 0 HB ILE A 21 21.368 11.366 -8.790 1.00 1.23 H new ATOM 0 HG12 ILE A 21 21.730 13.439 -6.632 1.00 51.33 H new ATOM 0 HG13 ILE A 21 20.653 13.728 -7.984 1.00 51.33 H new ATOM 0 HG21 ILE A 21 22.512 10.680 -6.725 1.00 14.55 H new ATOM 0 HG22 ILE A 21 23.590 10.618 -8.139 1.00 14.55 H new ATOM 0 HG23 ILE A 21 23.724 11.959 -6.977 1.00 14.55 H new ATOM 0 HD11 ILE A 21 19.423 12.734 -6.081 1.00 31.31 H new ATOM 0 HD12 ILE A 21 19.423 11.623 -7.471 1.00 31.31 H new ATOM 0 HD13 ILE A 21 20.516 11.330 -6.098 1.00 31.31 H new ATOM 363 N ALA A 22 23.884 11.801 -11.122 1.00 44.11 N ATOM 364 CA ALA A 22 25.020 11.170 -11.774 1.00 14.14 C ATOM 365 C ALA A 22 25.898 12.247 -12.413 1.00 44.01 C ATOM 366 O ALA A 22 27.124 12.150 -12.386 1.00 23.04 O ATOM 367 CB ALA A 22 24.519 10.145 -12.793 1.00 55.32 C ATOM 0 H ALA A 22 23.029 11.819 -11.678 1.00 44.11 H new ATOM 0 HA ALA A 22 25.631 10.635 -11.047 1.00 14.14 H new ATOM 0 HB1 ALA A 22 25.371 9.672 -13.282 1.00 55.32 H new ATOM 0 HB2 ALA A 22 23.925 9.386 -12.284 1.00 55.32 H new ATOM 0 HB3 ALA A 22 23.904 10.646 -13.540 1.00 55.32 H new ATOM 373 N ASP A 23 25.237 13.249 -12.974 1.00 24.01 N ATOM 374 CA ASP A 23 25.943 14.343 -13.619 1.00 41.02 C ATOM 375 C ASP A 23 26.552 15.253 -12.550 1.00 75.20 C ATOM 376 O ASP A 23 27.618 15.830 -12.755 1.00 22.02 O ATOM 377 CB ASP A 23 24.992 15.185 -14.471 1.00 52.52 C ATOM 378 CG ASP A 23 25.675 16.194 -15.397 1.00 74.15 C ATOM 379 OD1 ASP A 23 25.705 17.401 -15.116 1.00 55.10 O ATOM 380 OD2 ASP A 23 26.198 15.688 -16.462 1.00 43.25 O ATOM 0 H ASP A 23 24.220 13.326 -12.995 1.00 24.01 H new ATOM 0 HA ASP A 23 26.716 13.915 -14.257 1.00 41.02 H new ATOM 0 HB2 ASP A 23 24.381 14.515 -15.076 1.00 52.52 H new ATOM 0 HB3 ASP A 23 24.315 15.723 -13.808 1.00 52.52 H new ATOM 386 N ARG A 24 25.847 15.352 -11.432 1.00 51.45 N ATOM 387 CA ARG A 24 26.304 16.182 -10.331 1.00 2.12 C ATOM 388 C ARG A 24 27.353 15.436 -9.504 1.00 21.20 C ATOM 389 O ARG A 24 28.344 16.024 -9.075 1.00 1.55 O ATOM 390 CB ARG A 24 25.140 16.583 -9.423 1.00 32.11 C ATOM 391 CG ARG A 24 24.823 18.073 -9.563 1.00 4.34 C ATOM 392 CD ARG A 24 26.006 18.930 -9.106 1.00 0.01 C ATOM 393 NE ARG A 24 25.529 20.265 -8.680 1.00 24.21 N ATOM 394 CZ ARG A 24 26.344 21.295 -8.367 1.00 31.25 C ATOM 395 NH1 ARG A 24 27.685 21.152 -8.429 1.00 72.51 N ATOM 396 NH2 ARG A 24 25.809 22.444 -7.998 1.00 4.10 N ATOM 0 H ARG A 24 24.963 14.871 -11.266 1.00 51.45 H new ATOM 0 HA ARG A 24 26.745 17.083 -10.756 1.00 2.12 H new ATOM 0 HB2 ARG A 24 24.258 15.995 -9.676 1.00 32.11 H new ATOM 0 HB3 ARG A 24 25.388 16.356 -8.386 1.00 32.11 H new ATOM 0 HG2 ARG A 24 24.583 18.302 -10.601 1.00 4.34 H new ATOM 0 HG3 ARG A 24 23.941 18.318 -8.971 1.00 4.34 H new ATOM 0 HD2 ARG A 24 26.524 18.440 -8.282 1.00 0.01 H new ATOM 0 HD3 ARG A 24 26.726 19.034 -9.918 1.00 0.01 H new ATOM 0 HE ARG A 24 24.522 20.416 -8.619 1.00 24.21 H new ATOM 0 HH11 ARG A 24 28.090 20.260 -8.714 1.00 72.51 H new ATOM 0 HH12 ARG A 24 28.293 21.936 -8.191 1.00 72.51 H new ATOM 0 HH21 ARG A 24 24.795 22.543 -7.953 1.00 4.10 H new ATOM 0 HH22 ARG A 24 26.410 23.233 -7.758 1.00 4.10 H new ATOM 409 N PHE A 25 27.099 14.151 -9.306 1.00 22.43 N ATOM 410 CA PHE A 25 28.009 13.318 -8.538 1.00 62.30 C ATOM 411 C PHE A 25 28.040 11.890 -9.086 1.00 61.42 C ATOM 412 O PHE A 25 27.375 11.002 -8.554 1.00 41.12 O ATOM 413 CB PHE A 25 27.484 13.289 -7.101 1.00 65.52 C ATOM 414 CG PHE A 25 26.889 14.617 -6.629 1.00 71.42 C ATOM 415 CD1 PHE A 25 27.707 15.663 -6.336 1.00 30.43 C ATOM 416 CD2 PHE A 25 25.541 14.751 -6.503 1.00 64.12 C ATOM 417 CE1 PHE A 25 27.154 16.895 -5.898 1.00 3.13 C ATOM 418 CE2 PHE A 25 24.989 15.983 -6.065 1.00 53.42 C ATOM 419 CZ PHE A 25 25.807 17.029 -5.772 1.00 13.53 C ATOM 0 H PHE A 25 26.276 13.666 -9.664 1.00 22.43 H new ATOM 0 HA PHE A 25 29.020 13.722 -8.594 1.00 62.30 H new ATOM 0 HB2 PHE A 25 26.724 12.512 -7.018 1.00 65.52 H new ATOM 0 HB3 PHE A 25 28.299 13.010 -6.433 1.00 65.52 H new ATOM 0 HD1 PHE A 25 28.777 15.557 -6.436 1.00 30.43 H new ATOM 0 HD2 PHE A 25 24.891 13.920 -6.736 1.00 64.12 H new ATOM 0 HE1 PHE A 25 27.803 17.726 -5.665 1.00 3.13 H new ATOM 0 HE2 PHE A 25 23.919 16.090 -5.964 1.00 53.42 H new ATOM 0 HZ PHE A 25 25.387 17.966 -5.439 1.00 13.53 H new ATOM 429 N PRO A 26 28.840 11.707 -10.171 1.00 52.51 N ATOM 430 CA PRO A 26 28.966 10.402 -10.797 1.00 41.41 C ATOM 431 C PRO A 26 29.840 9.472 -9.954 1.00 32.24 C ATOM 432 O PRO A 26 30.061 8.319 -10.322 1.00 10.22 O ATOM 433 CB PRO A 26 29.550 10.681 -12.173 1.00 22.25 C ATOM 434 CG PRO A 26 30.160 12.071 -12.093 1.00 23.32 C ATOM 435 CD PRO A 26 29.642 12.735 -10.828 1.00 10.41 C ATOM 0 HA PRO A 26 28.012 9.882 -10.882 1.00 41.41 H new ATOM 0 HB2 PRO A 26 30.303 9.938 -12.435 1.00 22.25 H new ATOM 0 HB3 PRO A 26 28.778 10.637 -12.941 1.00 22.25 H new ATOM 0 HG2 PRO A 26 31.248 12.010 -12.074 1.00 23.32 H new ATOM 0 HG3 PRO A 26 29.889 12.658 -12.971 1.00 23.32 H new ATOM 0 HD2 PRO A 26 30.462 13.065 -10.190 1.00 10.41 H new ATOM 0 HD3 PRO A 26 29.044 13.616 -11.060 1.00 10.41 H new ATOM 443 N ASN A 27 30.313 10.007 -8.838 1.00 32.13 N ATOM 444 CA ASN A 27 31.157 9.239 -7.939 1.00 23.33 C ATOM 445 C ASN A 27 30.359 8.871 -6.686 1.00 65.11 C ATOM 446 O ASN A 27 30.937 8.508 -5.662 1.00 72.25 O ATOM 447 CB ASN A 27 32.377 10.051 -7.500 1.00 44.05 C ATOM 448 CG ASN A 27 33.420 10.120 -8.618 1.00 3.21 C ATOM 449 OD1 ASN A 27 34.489 9.536 -8.542 1.00 74.24 O ATOM 450 ND2 ASN A 27 33.052 10.865 -9.656 1.00 50.32 N ATOM 0 H ASN A 27 30.128 10.963 -8.536 1.00 32.13 H new ATOM 0 HA ASN A 27 31.489 8.347 -8.469 1.00 23.33 H new ATOM 0 HB2 ASN A 27 32.067 11.059 -7.224 1.00 44.05 H new ATOM 0 HB3 ASN A 27 32.819 9.599 -6.612 1.00 44.05 H new ATOM 0 HD21 ASN A 27 33.679 10.975 -10.453 1.00 50.32 H new ATOM 0 HD22 ASN A 27 32.143 11.327 -9.655 1.00 50.32 H new ATOM 457 N ARG A 28 29.045 8.978 -6.808 1.00 74.34 N ATOM 458 CA ARG A 28 28.162 8.661 -5.699 1.00 35.12 C ATOM 459 C ARG A 28 27.312 7.432 -6.030 1.00 65.02 C ATOM 460 O ARG A 28 27.464 6.838 -7.097 1.00 32.25 O ATOM 461 CB ARG A 28 27.239 9.838 -5.376 1.00 32.21 C ATOM 462 CG ARG A 28 28.017 10.980 -4.719 1.00 55.35 C ATOM 463 CD ARG A 28 28.416 10.620 -3.287 1.00 71.22 C ATOM 464 NE ARG A 28 29.667 11.320 -2.919 1.00 73.01 N ATOM 465 CZ ARG A 28 29.752 12.648 -2.691 1.00 33.11 C ATOM 466 NH1 ARG A 28 28.657 13.432 -2.792 1.00 23.25 N ATOM 467 NH2 ARG A 28 30.921 13.168 -2.368 1.00 41.22 N ATOM 0 H ARG A 28 28.570 9.280 -7.659 1.00 74.34 H new ATOM 0 HA ARG A 28 28.785 8.452 -4.829 1.00 35.12 H new ATOM 0 HB2 ARG A 28 26.765 10.195 -6.290 1.00 32.21 H new ATOM 0 HB3 ARG A 28 26.441 9.507 -4.711 1.00 32.21 H new ATOM 0 HG2 ARG A 28 28.910 11.200 -5.304 1.00 55.35 H new ATOM 0 HG3 ARG A 28 27.408 11.884 -4.714 1.00 55.35 H new ATOM 0 HD2 ARG A 28 27.618 10.897 -2.598 1.00 71.22 H new ATOM 0 HD3 ARG A 28 28.553 9.542 -3.199 1.00 71.22 H new ATOM 0 HE ARG A 28 30.518 10.764 -2.832 1.00 73.01 H new ATOM 0 HH11 ARG A 28 27.757 13.022 -3.042 1.00 23.25 H new ATOM 0 HH12 ARG A 28 28.730 14.434 -2.618 1.00 23.25 H new ATOM 0 HH21 ARG A 28 31.743 12.568 -2.294 1.00 41.22 H new ATOM 0 HH22 ARG A 28 31.003 14.169 -2.192 1.00 41.22 H new ATOM 480 N ILE A 29 26.438 7.087 -5.097 1.00 12.34 N ATOM 481 CA ILE A 29 25.565 5.940 -5.276 1.00 74.13 C ATOM 482 C ILE A 29 24.228 6.208 -4.582 1.00 52.32 C ATOM 483 O ILE A 29 24.066 5.906 -3.401 1.00 73.31 O ATOM 484 CB ILE A 29 26.257 4.660 -4.803 1.00 42.32 C ATOM 485 CG1 ILE A 29 27.624 4.498 -5.471 1.00 61.31 C ATOM 486 CG2 ILE A 29 25.362 3.439 -5.024 1.00 24.11 C ATOM 487 CD1 ILE A 29 28.294 3.191 -5.039 1.00 15.50 C ATOM 0 H ILE A 29 26.315 7.582 -4.214 1.00 12.34 H new ATOM 0 HA ILE A 29 25.351 5.787 -6.334 1.00 74.13 H new ATOM 0 HB ILE A 29 26.430 4.741 -3.730 1.00 42.32 H new ATOM 0 HG12 ILE A 29 27.507 4.510 -6.555 1.00 61.31 H new ATOM 0 HG13 ILE A 29 28.263 5.342 -5.210 1.00 61.31 H new ATOM 0 HG21 ILE A 29 25.878 2.543 -4.679 1.00 24.11 H new ATOM 0 HG22 ILE A 29 24.435 3.562 -4.465 1.00 24.11 H new ATOM 0 HG23 ILE A 29 25.135 3.341 -6.086 1.00 24.11 H new ATOM 0 HD11 ILE A 29 29.264 3.100 -5.528 1.00 15.50 H new ATOM 0 HD12 ILE A 29 28.432 3.193 -3.958 1.00 15.50 H new ATOM 0 HD13 ILE A 29 27.664 2.348 -5.323 1.00 15.50 H new ATOM 499 N PRO A 30 23.280 6.788 -5.366 1.00 14.42 N ATOM 500 CA PRO A 30 21.962 7.101 -4.839 1.00 60.00 C ATOM 501 C PRO A 30 21.116 5.835 -4.692 1.00 74.13 C ATOM 502 O PRO A 30 20.508 5.375 -5.658 1.00 22.42 O ATOM 503 CB PRO A 30 21.372 8.099 -5.822 1.00 1.33 C ATOM 504 CG PRO A 30 22.184 7.956 -7.099 1.00 13.20 C ATOM 505 CD PRO A 30 23.436 7.161 -6.769 1.00 21.22 C ATOM 0 HA PRO A 30 22.000 7.525 -3.836 1.00 60.00 H new ATOM 0 HB2 PRO A 30 20.318 7.891 -6.004 1.00 1.33 H new ATOM 0 HB3 PRO A 30 21.434 9.115 -5.432 1.00 1.33 H new ATOM 0 HG2 PRO A 30 21.601 7.448 -7.867 1.00 13.20 H new ATOM 0 HG3 PRO A 30 22.448 8.937 -7.495 1.00 13.20 H new ATOM 0 HD2 PRO A 30 23.525 6.280 -7.405 1.00 21.22 H new ATOM 0 HD3 PRO A 30 24.335 7.757 -6.922 1.00 21.22 H new ATOM 513 N VAL A 31 21.103 5.308 -3.477 1.00 33.22 N ATOM 514 CA VAL A 31 20.341 4.104 -3.191 1.00 73.02 C ATOM 515 C VAL A 31 18.897 4.486 -2.858 1.00 3.44 C ATOM 516 O VAL A 31 18.659 5.436 -2.113 1.00 42.32 O ATOM 517 CB VAL A 31 21.021 3.306 -2.077 1.00 13.34 C ATOM 518 CG1 VAL A 31 20.016 2.405 -1.356 1.00 40.10 C ATOM 519 CG2 VAL A 31 22.195 2.492 -2.623 1.00 74.43 C ATOM 0 H VAL A 31 21.608 5.693 -2.679 1.00 33.22 H new ATOM 0 HA VAL A 31 20.312 3.454 -4.066 1.00 73.02 H new ATOM 0 HB VAL A 31 21.416 4.016 -1.350 1.00 13.34 H new ATOM 0 HG11 VAL A 31 20.525 1.849 -0.569 1.00 40.10 H new ATOM 0 HG12 VAL A 31 19.229 3.017 -0.916 1.00 40.10 H new ATOM 0 HG13 VAL A 31 19.577 1.706 -2.068 1.00 40.10 H new ATOM 0 HG21 VAL A 31 22.660 1.934 -1.810 1.00 74.43 H new ATOM 0 HG22 VAL A 31 21.834 1.796 -3.380 1.00 74.43 H new ATOM 0 HG23 VAL A 31 22.928 3.165 -3.068 1.00 74.43 H new ATOM 529 N ILE A 32 17.971 3.727 -3.425 1.00 25.04 N ATOM 530 CA ILE A 32 16.558 3.974 -3.197 1.00 11.43 C ATOM 531 C ILE A 32 15.957 2.799 -2.424 1.00 31.42 C ATOM 532 O ILE A 32 15.515 1.819 -3.022 1.00 54.11 O ATOM 533 CB ILE A 32 15.846 4.270 -4.518 1.00 72.02 C ATOM 534 CG1 ILE A 32 16.103 5.709 -4.970 1.00 3.01 C ATOM 535 CG2 ILE A 32 14.351 3.960 -4.417 1.00 30.21 C ATOM 536 CD1 ILE A 32 15.216 6.691 -4.203 1.00 52.52 C ATOM 0 H ILE A 32 18.172 2.940 -4.042 1.00 25.04 H new ATOM 0 HA ILE A 32 16.421 4.863 -2.582 1.00 11.43 H new ATOM 0 HB ILE A 32 16.260 3.613 -5.283 1.00 72.02 H new ATOM 0 HG12 ILE A 32 17.152 5.962 -4.813 1.00 3.01 H new ATOM 0 HG13 ILE A 32 15.910 5.798 -6.039 1.00 3.01 H new ATOM 0 HG21 ILE A 32 13.869 4.179 -5.370 1.00 30.21 H new ATOM 0 HG22 ILE A 32 14.213 2.906 -4.175 1.00 30.21 H new ATOM 0 HG23 ILE A 32 13.904 4.573 -3.635 1.00 30.21 H new ATOM 0 HD11 ILE A 32 15.419 7.706 -4.543 1.00 52.52 H new ATOM 0 HD12 ILE A 32 14.168 6.451 -4.382 1.00 52.52 H new ATOM 0 HD13 ILE A 32 15.429 6.617 -3.137 1.00 52.52 H new ATOM 548 N CYS A 33 15.960 2.935 -1.106 1.00 22.41 N ATOM 549 CA CYS A 33 15.421 1.896 -0.245 1.00 71.20 C ATOM 550 C CYS A 33 13.922 2.148 -0.068 1.00 43.43 C ATOM 551 O CYS A 33 13.454 3.272 -0.242 1.00 51.34 O ATOM 552 CB CYS A 33 16.152 1.838 1.098 1.00 61.33 C ATOM 553 SG CYS A 33 15.865 0.217 1.897 1.00 65.53 S ATOM 0 H CYS A 33 16.327 3.749 -0.613 1.00 22.41 H new ATOM 0 HA CYS A 33 15.573 0.921 -0.709 1.00 71.20 H new ATOM 0 HB2 CYS A 33 17.220 1.994 0.947 1.00 61.33 H new ATOM 0 HB3 CYS A 33 15.801 2.640 1.747 1.00 61.33 H new ATOM 0 HG CYS A 33 15.104 -0.513 1.137 1.00 65.53 H new ATOM 559 N GLU A 34 13.212 1.084 0.275 1.00 13.23 N ATOM 560 CA GLU A 34 11.776 1.177 0.477 1.00 32.55 C ATOM 561 C GLU A 34 11.358 0.356 1.699 1.00 31.13 C ATOM 562 O GLU A 34 11.545 -0.859 1.729 1.00 61.42 O ATOM 563 CB GLU A 34 11.016 0.726 -0.772 1.00 21.43 C ATOM 564 CG GLU A 34 11.611 1.356 -2.033 1.00 12.25 C ATOM 565 CD GLU A 34 12.696 0.461 -2.633 1.00 45.04 C ATOM 566 OE1 GLU A 34 13.081 -0.545 -2.019 1.00 3.35 O ATOM 567 OE2 GLU A 34 13.142 0.841 -3.783 1.00 5.45 O ATOM 0 H GLU A 34 13.604 0.153 0.418 1.00 13.23 H new ATOM 0 HA GLU A 34 11.521 2.221 0.660 1.00 32.55 H new ATOM 0 HB2 GLU A 34 11.053 -0.360 -0.852 1.00 21.43 H new ATOM 0 HB3 GLU A 34 9.966 1.004 -0.683 1.00 21.43 H new ATOM 0 HG2 GLU A 34 10.823 1.521 -2.768 1.00 12.25 H new ATOM 0 HG3 GLU A 34 12.032 2.332 -1.792 1.00 12.25 H new ATOM 575 N LYS A 35 10.800 1.053 2.678 1.00 52.21 N ATOM 576 CA LYS A 35 10.354 0.404 3.899 1.00 11.32 C ATOM 577 C LYS A 35 9.679 -0.923 3.549 1.00 72.31 C ATOM 578 O LYS A 35 9.001 -1.029 2.528 1.00 43.12 O ATOM 579 CB LYS A 35 9.468 1.348 4.715 1.00 41.32 C ATOM 580 CG LYS A 35 8.514 0.562 5.616 1.00 11.55 C ATOM 581 CD LYS A 35 9.280 -0.166 6.723 1.00 52.41 C ATOM 582 CE LYS A 35 9.185 0.595 8.047 1.00 21.01 C ATOM 583 NZ LYS A 35 10.450 1.311 8.325 1.00 41.20 N ATOM 0 H LYS A 35 10.647 2.061 2.650 1.00 52.21 H new ATOM 0 HA LYS A 35 11.205 0.170 4.539 1.00 11.32 H new ATOM 0 HB2 LYS A 35 10.092 2.003 5.323 1.00 41.32 H new ATOM 0 HB3 LYS A 35 8.895 1.987 4.043 1.00 41.32 H new ATOM 0 HG2 LYS A 35 7.785 1.240 6.059 1.00 11.55 H new ATOM 0 HG3 LYS A 35 7.956 -0.160 5.019 1.00 11.55 H new ATOM 0 HD2 LYS A 35 8.878 -1.171 6.848 1.00 52.41 H new ATOM 0 HD3 LYS A 35 10.326 -0.274 6.436 1.00 52.41 H new ATOM 0 HE2 LYS A 35 8.359 1.306 8.006 1.00 21.01 H new ATOM 0 HE3 LYS A 35 8.968 -0.100 8.858 1.00 21.01 H new ATOM 0 HZ1 LYS A 35 10.375 1.808 9.235 1.00 41.20 H new ATOM 0 HZ2 LYS A 35 11.233 0.628 8.367 1.00 41.20 H new ATOM 0 HZ3 LYS A 35 10.632 2.000 7.568 1.00 41.20 H new ATOM 596 N ALA A 36 9.887 -1.903 4.416 1.00 64.32 N ATOM 597 CA ALA A 36 9.307 -3.220 4.211 1.00 44.20 C ATOM 598 C ALA A 36 8.093 -3.386 5.127 1.00 4.32 C ATOM 599 O ALA A 36 8.240 -3.504 6.343 1.00 62.43 O ATOM 600 CB ALA A 36 10.373 -4.291 4.455 1.00 54.42 C ATOM 0 H ALA A 36 10.449 -1.812 5.262 1.00 64.32 H new ATOM 0 HA ALA A 36 8.962 -3.332 3.183 1.00 44.20 H new ATOM 0 HB1 ALA A 36 9.938 -5.279 4.301 1.00 54.42 H new ATOM 0 HB2 ALA A 36 11.200 -4.146 3.760 1.00 54.42 H new ATOM 0 HB3 ALA A 36 10.741 -4.212 5.478 1.00 54.42 H new ATOM 606 N GLU A 37 6.922 -3.389 4.509 1.00 54.30 N ATOM 607 CA GLU A 37 5.683 -3.538 5.254 1.00 71.13 C ATOM 608 C GLU A 37 5.828 -4.634 6.312 1.00 44.24 C ATOM 609 O GLU A 37 5.492 -4.426 7.476 1.00 3.44 O ATOM 610 CB GLU A 37 4.511 -3.834 4.315 1.00 23.14 C ATOM 611 CG GLU A 37 4.617 -5.245 3.734 1.00 23.42 C ATOM 612 CD GLU A 37 3.574 -5.466 2.637 1.00 64.23 C ATOM 613 OE1 GLU A 37 3.835 -6.202 1.673 1.00 34.01 O ATOM 614 OE2 GLU A 37 2.459 -4.842 2.811 1.00 30.00 O ATOM 0 H GLU A 37 6.804 -3.291 3.501 1.00 54.30 H new ATOM 0 HA GLU A 37 5.471 -2.597 5.761 1.00 71.13 H new ATOM 0 HB2 GLU A 37 3.571 -3.730 4.857 1.00 23.14 H new ATOM 0 HB3 GLU A 37 4.495 -3.104 3.506 1.00 23.14 H new ATOM 0 HG2 GLU A 37 5.616 -5.401 3.327 1.00 23.42 H new ATOM 0 HG3 GLU A 37 4.478 -5.980 4.527 1.00 23.42 H new ATOM 622 N LYS A 38 6.330 -5.777 5.868 1.00 32.22 N ATOM 623 CA LYS A 38 6.524 -6.906 6.762 1.00 31.04 C ATOM 624 C LYS A 38 7.193 -6.422 8.050 1.00 11.33 C ATOM 625 O LYS A 38 6.837 -6.862 9.142 1.00 13.54 O ATOM 626 CB LYS A 38 7.291 -8.025 6.054 1.00 13.22 C ATOM 627 CG LYS A 38 6.762 -8.239 4.635 1.00 54.44 C ATOM 628 CD LYS A 38 7.724 -7.656 3.597 1.00 31.33 C ATOM 629 CE LYS A 38 7.826 -8.567 2.372 1.00 1.02 C ATOM 630 NZ LYS A 38 6.801 -8.203 1.369 1.00 41.54 N ATOM 0 H LYS A 38 6.608 -5.946 4.901 1.00 32.22 H new ATOM 0 HA LYS A 38 5.564 -7.338 7.044 1.00 31.04 H new ATOM 0 HB2 LYS A 38 8.352 -7.777 6.017 1.00 13.22 H new ATOM 0 HB3 LYS A 38 7.200 -8.950 6.623 1.00 13.22 H new ATOM 0 HG2 LYS A 38 6.625 -9.305 4.451 1.00 54.44 H new ATOM 0 HG3 LYS A 38 5.784 -7.770 4.533 1.00 54.44 H new ATOM 0 HD2 LYS A 38 7.380 -6.668 3.292 1.00 31.33 H new ATOM 0 HD3 LYS A 38 8.711 -7.527 4.042 1.00 31.33 H new ATOM 0 HE2 LYS A 38 8.820 -8.484 1.932 1.00 1.02 H new ATOM 0 HE3 LYS A 38 7.696 -9.607 2.673 1.00 1.02 H new ATOM 0 HZ1 LYS A 38 6.884 -8.831 0.544 1.00 41.54 H new ATOM 0 HZ2 LYS A 38 5.854 -8.305 1.787 1.00 41.54 H new ATOM 0 HZ3 LYS A 38 6.943 -7.217 1.069 1.00 41.54 H new ATOM 643 N SER A 39 8.151 -5.522 7.880 1.00 74.22 N ATOM 644 CA SER A 39 8.873 -4.973 9.015 1.00 34.40 C ATOM 645 C SER A 39 7.886 -4.506 10.086 1.00 14.34 C ATOM 646 O SER A 39 6.706 -4.305 9.803 1.00 14.23 O ATOM 647 CB SER A 39 9.777 -3.817 8.585 1.00 1.44 C ATOM 648 OG SER A 39 10.749 -3.501 9.579 1.00 33.21 O ATOM 0 H SER A 39 8.444 -5.159 6.973 1.00 74.22 H new ATOM 0 HA SER A 39 9.506 -5.757 9.431 1.00 34.40 H new ATOM 0 HB2 SER A 39 10.281 -4.078 7.655 1.00 1.44 H new ATOM 0 HB3 SER A 39 9.168 -2.937 8.381 1.00 1.44 H new ATOM 0 HG SER A 39 11.017 -2.563 9.488 1.00 33.21 H new ATOM 654 N ASP A 40 8.405 -4.346 11.295 1.00 41.13 N ATOM 655 CA ASP A 40 7.584 -3.906 12.410 1.00 3.40 C ATOM 656 C ASP A 40 8.163 -2.610 12.983 1.00 31.43 C ATOM 657 O ASP A 40 7.785 -2.187 14.075 1.00 72.15 O ATOM 658 CB ASP A 40 7.567 -4.951 13.527 1.00 13.32 C ATOM 659 CG ASP A 40 6.485 -4.744 14.589 1.00 73.10 C ATOM 660 OD1 ASP A 40 5.293 -4.619 14.270 1.00 11.14 O ATOM 661 OD2 ASP A 40 6.913 -4.713 15.805 1.00 23.23 O ATOM 0 H ASP A 40 9.384 -4.513 11.526 1.00 41.13 H new ATOM 0 HA ASP A 40 6.569 -3.754 12.043 1.00 3.40 H new ATOM 0 HB2 ASP A 40 7.433 -5.936 13.080 1.00 13.32 H new ATOM 0 HB3 ASP A 40 8.541 -4.953 14.017 1.00 13.32 H new ATOM 667 N ILE A 41 9.070 -2.017 12.222 1.00 64.33 N ATOM 668 CA ILE A 41 9.705 -0.779 12.640 1.00 11.13 C ATOM 669 C ILE A 41 8.897 0.407 12.111 1.00 54.50 C ATOM 670 O ILE A 41 8.072 0.250 11.212 1.00 32.22 O ATOM 671 CB ILE A 41 11.175 -0.760 12.216 1.00 53.11 C ATOM 672 CG1 ILE A 41 11.343 -0.088 10.852 1.00 51.04 C ATOM 673 CG2 ILE A 41 11.770 -2.169 12.238 1.00 20.21 C ATOM 674 CD1 ILE A 41 12.761 -0.288 10.313 1.00 10.21 C ATOM 0 H ILE A 41 9.381 -2.371 11.317 1.00 64.33 H new ATOM 0 HA ILE A 41 9.711 -0.702 13.727 1.00 11.13 H new ATOM 0 HB ILE A 41 11.732 -0.164 12.939 1.00 53.11 H new ATOM 0 HG12 ILE A 41 10.621 -0.501 10.148 1.00 51.04 H new ATOM 0 HG13 ILE A 41 11.130 0.977 10.939 1.00 51.04 H new ATOM 0 HG21 ILE A 41 12.815 -2.127 11.933 1.00 20.21 H new ATOM 0 HG22 ILE A 41 11.703 -2.577 13.247 1.00 20.21 H new ATOM 0 HG23 ILE A 41 11.216 -2.808 11.550 1.00 20.21 H new ATOM 0 HD11 ILE A 41 12.853 0.199 9.342 1.00 10.21 H new ATOM 0 HD12 ILE A 41 13.479 0.148 11.008 1.00 10.21 H new ATOM 0 HD13 ILE A 41 12.962 -1.354 10.204 1.00 10.21 H new ATOM 686 N PRO A 42 9.169 1.600 12.706 1.00 34.43 N ATOM 687 CA PRO A 42 8.476 2.812 12.304 1.00 2.13 C ATOM 688 C PRO A 42 9.001 3.324 10.961 1.00 30.32 C ATOM 689 O PRO A 42 10.211 3.402 10.752 1.00 34.34 O ATOM 690 CB PRO A 42 8.705 3.792 13.444 1.00 70.14 C ATOM 691 CG PRO A 42 9.896 3.256 14.221 1.00 3.31 C ATOM 692 CD PRO A 42 10.139 1.824 13.774 1.00 51.12 C ATOM 0 HA PRO A 42 7.410 2.653 12.141 1.00 2.13 H new ATOM 0 HB2 PRO A 42 8.905 4.794 13.064 1.00 70.14 H new ATOM 0 HB3 PRO A 42 7.823 3.863 14.081 1.00 70.14 H new ATOM 0 HG2 PRO A 42 10.779 3.868 14.037 1.00 3.31 H new ATOM 0 HG3 PRO A 42 9.700 3.293 15.293 1.00 3.31 H new ATOM 0 HD2 PRO A 42 11.160 1.688 13.417 1.00 51.12 H new ATOM 0 HD3 PRO A 42 9.993 1.122 14.595 1.00 51.12 H new ATOM 700 N GLU A 43 8.065 3.659 10.085 1.00 1.15 N ATOM 701 CA GLU A 43 8.418 4.161 8.768 1.00 10.14 C ATOM 702 C GLU A 43 9.365 5.356 8.892 1.00 5.11 C ATOM 703 O GLU A 43 9.589 5.865 9.990 1.00 71.54 O ATOM 704 CB GLU A 43 7.167 4.534 7.970 1.00 20.33 C ATOM 705 CG GLU A 43 7.407 4.373 6.468 1.00 42.42 C ATOM 706 CD GLU A 43 6.090 4.142 5.724 1.00 64.42 C ATOM 707 OE1 GLU A 43 5.402 3.142 5.978 1.00 2.13 O ATOM 708 OE2 GLU A 43 5.789 5.046 4.854 1.00 21.41 O ATOM 0 H GLU A 43 7.063 3.593 10.262 1.00 1.15 H new ATOM 0 HA GLU A 43 8.933 3.369 8.225 1.00 10.14 H new ATOM 0 HB2 GLU A 43 6.333 3.903 8.278 1.00 20.33 H new ATOM 0 HB3 GLU A 43 6.885 5.564 8.189 1.00 20.33 H new ATOM 0 HG2 GLU A 43 7.898 5.264 6.077 1.00 42.42 H new ATOM 0 HG3 GLU A 43 8.080 3.534 6.292 1.00 42.42 H new ATOM 716 N ILE A 44 9.897 5.770 7.751 1.00 21.32 N ATOM 717 CA ILE A 44 10.815 6.895 7.718 1.00 3.41 C ATOM 718 C ILE A 44 10.126 8.091 7.058 1.00 61.05 C ATOM 719 O ILE A 44 8.929 8.046 6.778 1.00 30.45 O ATOM 720 CB ILE A 44 12.130 6.495 7.046 1.00 70.23 C ATOM 721 CG1 ILE A 44 11.877 5.567 5.856 1.00 32.40 C ATOM 722 CG2 ILE A 44 13.098 5.878 8.058 1.00 51.42 C ATOM 723 CD1 ILE A 44 13.183 5.234 5.132 1.00 1.03 C ATOM 0 H ILE A 44 9.709 5.346 6.842 1.00 21.32 H new ATOM 0 HA ILE A 44 11.081 7.199 8.730 1.00 3.41 H new ATOM 0 HB ILE A 44 12.603 7.397 6.657 1.00 70.23 H new ATOM 0 HG12 ILE A 44 11.404 4.648 6.201 1.00 32.40 H new ATOM 0 HG13 ILE A 44 11.183 6.041 5.162 1.00 32.40 H new ATOM 0 HG21 ILE A 44 14.024 5.603 7.554 1.00 51.42 H new ATOM 0 HG22 ILE A 44 13.314 6.602 8.844 1.00 51.42 H new ATOM 0 HG23 ILE A 44 12.646 4.989 8.498 1.00 51.42 H new ATOM 0 HD11 ILE A 44 12.974 4.573 4.291 1.00 1.03 H new ATOM 0 HD12 ILE A 44 13.641 6.153 4.767 1.00 1.03 H new ATOM 0 HD13 ILE A 44 13.865 4.738 5.822 1.00 1.03 H new ATOM 735 N ASP A 45 10.912 9.133 6.827 1.00 75.34 N ATOM 736 CA ASP A 45 10.392 10.338 6.204 1.00 12.40 C ATOM 737 C ASP A 45 10.285 10.122 4.693 1.00 33.52 C ATOM 738 O ASP A 45 9.210 10.277 4.115 1.00 63.21 O ATOM 739 CB ASP A 45 11.323 11.528 6.446 1.00 54.20 C ATOM 740 CG ASP A 45 11.187 12.186 7.821 1.00 62.03 C ATOM 741 OD1 ASP A 45 12.067 12.943 8.256 1.00 44.42 O ATOM 742 OD2 ASP A 45 10.109 11.889 8.463 1.00 13.22 O ATOM 0 H ASP A 45 11.904 9.167 7.060 1.00 75.34 H new ATOM 0 HA ASP A 45 9.415 10.548 6.640 1.00 12.40 H new ATOM 0 HB2 ASP A 45 12.353 11.196 6.319 1.00 54.20 H new ATOM 0 HB3 ASP A 45 11.134 12.280 5.680 1.00 54.20 H new ATOM 748 N LYS A 46 11.413 9.766 4.097 1.00 23.12 N ATOM 749 CA LYS A 46 11.460 9.526 2.665 1.00 51.22 C ATOM 750 C LYS A 46 12.593 8.546 2.353 1.00 53.33 C ATOM 751 O LYS A 46 13.321 8.127 3.251 1.00 0.31 O ATOM 752 CB LYS A 46 11.564 10.849 1.903 1.00 13.13 C ATOM 753 CG LYS A 46 12.958 11.460 2.053 1.00 4.25 C ATOM 754 CD LYS A 46 13.068 12.264 3.350 1.00 12.45 C ATOM 755 CE LYS A 46 14.183 13.307 3.257 1.00 45.14 C ATOM 756 NZ LYS A 46 13.839 14.347 2.261 1.00 34.13 N ATOM 0 H LYS A 46 12.302 9.638 4.580 1.00 23.12 H new ATOM 0 HA LYS A 46 10.534 9.061 2.326 1.00 51.22 H new ATOM 0 HB2 LYS A 46 11.348 10.683 0.848 1.00 13.13 H new ATOM 0 HB3 LYS A 46 10.815 11.547 2.276 1.00 13.13 H new ATOM 0 HG2 LYS A 46 13.708 10.669 2.047 1.00 4.25 H new ATOM 0 HG3 LYS A 46 13.169 12.107 1.201 1.00 4.25 H new ATOM 0 HD2 LYS A 46 12.119 12.759 3.557 1.00 12.45 H new ATOM 0 HD3 LYS A 46 13.264 11.590 4.184 1.00 12.45 H new ATOM 0 HE2 LYS A 46 14.341 13.767 4.232 1.00 45.14 H new ATOM 0 HE3 LYS A 46 15.119 12.823 2.978 1.00 45.14 H new ATOM 0 HZ1 LYS A 46 14.316 15.237 2.509 1.00 34.13 H new ATOM 0 HZ2 LYS A 46 14.149 14.040 1.317 1.00 34.13 H new ATOM 0 HZ3 LYS A 46 12.810 14.496 2.256 1.00 34.13 H new ATOM 769 N ARG A 47 12.706 8.209 1.076 1.00 12.44 N ATOM 770 CA ARG A 47 13.738 7.287 0.635 1.00 73.45 C ATOM 771 C ARG A 47 14.776 8.020 -0.217 1.00 24.24 C ATOM 772 O ARG A 47 14.537 8.298 -1.391 1.00 4.13 O ATOM 773 CB ARG A 47 13.138 6.139 -0.181 1.00 41.40 C ATOM 774 CG ARG A 47 12.037 5.425 0.605 1.00 21.32 C ATOM 775 CD ARG A 47 10.970 4.861 -0.335 1.00 71.30 C ATOM 776 NE ARG A 47 9.656 4.837 0.346 1.00 3.44 N ATOM 777 CZ ARG A 47 8.554 4.242 -0.156 1.00 15.40 C ATOM 778 NH1 ARG A 47 8.597 3.615 -1.351 1.00 3.52 N ATOM 779 NH2 ARG A 47 7.432 4.283 0.539 1.00 72.04 N ATOM 0 H ARG A 47 12.100 8.558 0.334 1.00 12.44 H new ATOM 0 HA ARG A 47 14.217 6.876 1.523 1.00 73.45 H new ATOM 0 HB2 ARG A 47 12.730 6.526 -1.115 1.00 41.40 H new ATOM 0 HB3 ARG A 47 13.921 5.428 -0.445 1.00 41.40 H new ATOM 0 HG2 ARG A 47 12.471 4.617 1.194 1.00 21.32 H new ATOM 0 HG3 ARG A 47 11.577 6.120 1.307 1.00 21.32 H new ATOM 0 HD2 ARG A 47 10.910 5.470 -1.237 1.00 71.30 H new ATOM 0 HD3 ARG A 47 11.245 3.854 -0.648 1.00 71.30 H new ATOM 0 HE ARG A 47 9.579 5.299 1.252 1.00 3.44 H new ATOM 0 HH11 ARG A 47 9.467 3.588 -1.882 1.00 3.52 H new ATOM 0 HH12 ARG A 47 7.759 3.168 -1.723 1.00 3.52 H new ATOM 0 HH21 ARG A 47 7.408 4.759 1.441 1.00 72.04 H new ATOM 0 HH22 ARG A 47 6.590 3.838 0.174 1.00 72.04 H new ATOM 792 N LYS A 48 15.907 8.312 0.409 1.00 64.24 N ATOM 793 CA LYS A 48 16.983 9.007 -0.277 1.00 4.32 C ATOM 794 C LYS A 48 18.301 8.750 0.458 1.00 73.23 C ATOM 795 O LYS A 48 18.490 9.213 1.581 1.00 0.41 O ATOM 796 CB LYS A 48 16.647 10.492 -0.434 1.00 62.44 C ATOM 797 CG LYS A 48 17.482 11.128 -1.548 1.00 32.41 C ATOM 798 CD LYS A 48 17.578 12.643 -1.363 1.00 42.42 C ATOM 799 CE LYS A 48 18.771 13.013 -0.479 1.00 52.20 C ATOM 800 NZ LYS A 48 18.642 14.404 0.010 1.00 12.11 N ATOM 0 H LYS A 48 16.101 8.080 1.383 1.00 64.24 H new ATOM 0 HA LYS A 48 17.101 8.621 -1.289 1.00 4.32 H new ATOM 0 HB2 LYS A 48 15.587 10.607 -0.659 1.00 62.44 H new ATOM 0 HB3 LYS A 48 16.832 11.012 0.506 1.00 62.44 H new ATOM 0 HG2 LYS A 48 18.482 10.694 -1.551 1.00 32.41 H new ATOM 0 HG3 LYS A 48 17.034 10.904 -2.516 1.00 32.41 H new ATOM 0 HD2 LYS A 48 17.677 13.126 -2.335 1.00 42.42 H new ATOM 0 HD3 LYS A 48 16.658 13.017 -0.914 1.00 42.42 H new ATOM 0 HE2 LYS A 48 18.831 12.328 0.367 1.00 52.20 H new ATOM 0 HE3 LYS A 48 19.697 12.904 -1.043 1.00 52.20 H new ATOM 0 HZ1 LYS A 48 19.460 14.639 0.608 1.00 12.11 H new ATOM 0 HZ2 LYS A 48 18.607 15.055 -0.800 1.00 12.11 H new ATOM 0 HZ3 LYS A 48 17.768 14.497 0.566 1.00 12.11 H new ATOM 813 N TYR A 49 19.177 8.011 -0.207 1.00 1.12 N ATOM 814 CA TYR A 49 20.471 7.686 0.369 1.00 41.32 C ATOM 815 C TYR A 49 21.589 7.865 -0.660 1.00 4.30 C ATOM 816 O TYR A 49 21.851 6.968 -1.460 1.00 3.32 O ATOM 817 CB TYR A 49 20.396 6.212 0.771 1.00 14.11 C ATOM 818 CG TYR A 49 19.183 5.865 1.637 1.00 22.32 C ATOM 819 CD1 TYR A 49 19.232 6.061 3.003 1.00 74.24 C ATOM 820 CD2 TYR A 49 18.041 5.355 1.053 1.00 2.33 C ATOM 821 CE1 TYR A 49 18.090 5.734 3.818 1.00 65.12 C ATOM 822 CE2 TYR A 49 16.900 5.028 1.869 1.00 41.45 C ATOM 823 CZ TYR A 49 16.981 5.234 3.211 1.00 60.15 C ATOM 824 OH TYR A 49 15.903 4.925 3.980 1.00 3.24 O ATOM 0 H TYR A 49 19.016 7.628 -1.139 1.00 1.12 H new ATOM 0 HA TYR A 49 20.690 8.339 1.214 1.00 41.32 H new ATOM 0 HB2 TYR A 49 20.373 5.601 -0.131 1.00 14.11 H new ATOM 0 HB3 TYR A 49 21.304 5.947 1.312 1.00 14.11 H new ATOM 0 HD1 TYR A 49 20.126 6.459 3.460 1.00 74.24 H new ATOM 0 HD2 TYR A 49 18.003 5.201 -0.015 1.00 2.33 H new ATOM 0 HE1 TYR A 49 18.114 5.883 4.887 1.00 65.12 H new ATOM 0 HE2 TYR A 49 16.000 4.628 1.425 1.00 41.45 H new ATOM 0 HH TYR A 49 15.184 4.579 3.411 1.00 3.24 H new ATOM 834 N LEU A 50 22.219 9.030 -0.606 1.00 31.22 N ATOM 835 CA LEU A 50 23.303 9.338 -1.523 1.00 20.10 C ATOM 836 C LEU A 50 24.642 9.088 -0.826 1.00 12.24 C ATOM 837 O LEU A 50 25.159 9.964 -0.134 1.00 55.41 O ATOM 838 CB LEU A 50 23.152 10.757 -2.074 1.00 12.33 C ATOM 839 CG LEU A 50 23.989 11.090 -3.311 1.00 31.44 C ATOM 840 CD1 LEU A 50 24.118 9.872 -4.228 1.00 43.22 C ATOM 841 CD2 LEU A 50 23.421 12.305 -4.047 1.00 31.51 C ATOM 0 H LEU A 50 21.999 9.772 0.059 1.00 31.22 H new ATOM 0 HA LEU A 50 23.267 8.679 -2.390 1.00 20.10 H new ATOM 0 HB2 LEU A 50 22.102 10.922 -2.315 1.00 12.33 H new ATOM 0 HB3 LEU A 50 23.412 11.462 -1.284 1.00 12.33 H new ATOM 0 HG LEU A 50 24.994 11.355 -2.983 1.00 31.44 H new ATOM 0 HD11 LEU A 50 24.717 10.135 -5.100 1.00 43.22 H new ATOM 0 HD12 LEU A 50 24.602 9.059 -3.687 1.00 43.22 H new ATOM 0 HD13 LEU A 50 23.127 9.554 -4.552 1.00 43.22 H new ATOM 0 HD21 LEU A 50 24.035 12.520 -4.922 1.00 31.51 H new ATOM 0 HD22 LEU A 50 22.399 12.094 -4.363 1.00 31.51 H new ATOM 0 HD23 LEU A 50 23.424 13.168 -3.381 1.00 31.51 H new ATOM 853 N VAL A 51 25.165 7.889 -1.031 1.00 61.45 N ATOM 854 CA VAL A 51 26.434 7.512 -0.431 1.00 52.52 C ATOM 855 C VAL A 51 27.490 7.368 -1.529 1.00 53.20 C ATOM 856 O VAL A 51 27.154 7.165 -2.695 1.00 24.42 O ATOM 857 CB VAL A 51 26.262 6.242 0.403 1.00 34.34 C ATOM 858 CG1 VAL A 51 26.051 6.580 1.880 1.00 11.35 C ATOM 859 CG2 VAL A 51 25.112 5.386 -0.132 1.00 64.54 C ATOM 0 H VAL A 51 24.733 7.165 -1.605 1.00 61.45 H new ATOM 0 HA VAL A 51 26.779 8.289 0.252 1.00 52.52 H new ATOM 0 HB VAL A 51 27.180 5.660 0.320 1.00 34.34 H new ATOM 0 HG11 VAL A 51 25.931 5.659 2.451 1.00 11.35 H new ATOM 0 HG12 VAL A 51 26.915 7.129 2.255 1.00 11.35 H new ATOM 0 HG13 VAL A 51 25.156 7.193 1.989 1.00 11.35 H new ATOM 0 HG21 VAL A 51 25.011 4.489 0.479 1.00 64.54 H new ATOM 0 HG22 VAL A 51 24.185 5.957 -0.093 1.00 64.54 H new ATOM 0 HG23 VAL A 51 25.320 5.101 -1.163 1.00 64.54 H new ATOM 869 N PRO A 52 28.777 7.482 -1.107 1.00 4.24 N ATOM 870 CA PRO A 52 29.884 7.367 -2.040 1.00 64.45 C ATOM 871 C PRO A 52 30.110 5.909 -2.446 1.00 20.43 C ATOM 872 O PRO A 52 29.482 5.004 -1.898 1.00 72.00 O ATOM 873 CB PRO A 52 31.075 7.973 -1.316 1.00 62.10 C ATOM 874 CG PRO A 52 30.706 7.981 0.158 1.00 11.35 C ATOM 875 CD PRO A 52 29.212 7.723 0.266 1.00 11.23 C ATOM 0 HA PRO A 52 29.698 7.889 -2.979 1.00 64.45 H new ATOM 0 HB2 PRO A 52 31.977 7.387 -1.490 1.00 62.10 H new ATOM 0 HB3 PRO A 52 31.277 8.983 -1.674 1.00 62.10 H new ATOM 0 HG2 PRO A 52 31.265 7.215 0.696 1.00 11.35 H new ATOM 0 HG3 PRO A 52 30.962 8.939 0.610 1.00 11.35 H new ATOM 0 HD2 PRO A 52 29.004 6.864 0.904 1.00 11.23 H new ATOM 0 HD3 PRO A 52 28.693 8.577 0.702 1.00 11.23 H new ATOM 883 N ALA A 53 31.009 5.726 -3.402 1.00 32.11 N ATOM 884 CA ALA A 53 31.325 4.393 -3.887 1.00 3.22 C ATOM 885 C ALA A 53 32.459 3.805 -3.044 1.00 73.53 C ATOM 886 O ALA A 53 33.107 2.843 -3.454 1.00 73.34 O ATOM 887 CB ALA A 53 31.679 4.461 -5.374 1.00 11.42 C ATOM 0 H ALA A 53 31.529 6.479 -3.854 1.00 32.11 H new ATOM 0 HA ALA A 53 30.463 3.733 -3.787 1.00 3.22 H new ATOM 0 HB1 ALA A 53 31.916 3.461 -5.738 1.00 11.42 H new ATOM 0 HB2 ALA A 53 30.831 4.859 -5.932 1.00 11.42 H new ATOM 0 HB3 ALA A 53 32.542 5.112 -5.513 1.00 11.42 H new ATOM 893 N ASP A 54 32.663 4.407 -1.882 1.00 63.40 N ATOM 894 CA ASP A 54 33.707 3.954 -0.978 1.00 43.03 C ATOM 895 C ASP A 54 33.069 3.440 0.314 1.00 65.42 C ATOM 896 O ASP A 54 33.751 2.862 1.159 1.00 32.42 O ATOM 897 CB ASP A 54 34.655 5.099 -0.615 1.00 21.54 C ATOM 898 CG ASP A 54 35.053 6.005 -1.782 1.00 32.54 C ATOM 899 OD1 ASP A 54 34.209 6.398 -2.601 1.00 1.44 O ATOM 900 OD2 ASP A 54 36.305 6.310 -1.832 1.00 41.04 O ATOM 0 H ASP A 54 32.123 5.204 -1.545 1.00 63.40 H new ATOM 0 HA ASP A 54 34.269 3.165 -1.479 1.00 43.03 H new ATOM 0 HB2 ASP A 54 34.184 5.710 0.155 1.00 21.54 H new ATOM 0 HB3 ASP A 54 35.560 4.677 -0.178 1.00 21.54 H new ATOM 906 N LEU A 55 31.769 3.668 0.426 1.00 3.42 N ATOM 907 CA LEU A 55 31.032 3.235 1.601 1.00 50.31 C ATOM 908 C LEU A 55 30.687 1.751 1.463 1.00 42.12 C ATOM 909 O LEU A 55 30.654 1.218 0.355 1.00 52.44 O ATOM 910 CB LEU A 55 29.813 4.131 1.829 1.00 51.32 C ATOM 911 CG LEU A 55 28.881 3.718 2.969 1.00 14.04 C ATOM 912 CD1 LEU A 55 28.229 4.942 3.616 1.00 43.10 C ATOM 913 CD2 LEU A 55 27.842 2.703 2.488 1.00 13.11 C ATOM 0 H LEU A 55 31.207 4.147 -0.278 1.00 3.42 H new ATOM 0 HA LEU A 55 31.646 3.338 2.495 1.00 50.31 H new ATOM 0 HB2 LEU A 55 30.163 5.145 2.022 1.00 51.32 H new ATOM 0 HB3 LEU A 55 29.234 4.164 0.906 1.00 51.32 H new ATOM 0 HG LEU A 55 29.479 3.228 3.737 1.00 14.04 H new ATOM 0 HD11 LEU A 55 27.571 4.620 4.423 1.00 43.10 H new ATOM 0 HD12 LEU A 55 29.002 5.597 4.017 1.00 43.10 H new ATOM 0 HD13 LEU A 55 27.648 5.482 2.869 1.00 43.10 H new ATOM 0 HD21 LEU A 55 27.192 2.426 3.318 1.00 13.11 H new ATOM 0 HD22 LEU A 55 27.244 3.144 1.691 1.00 13.11 H new ATOM 0 HD23 LEU A 55 28.349 1.814 2.112 1.00 13.11 H new ATOM 925 N THR A 56 30.439 1.125 2.604 1.00 43.30 N ATOM 926 CA THR A 56 30.098 -0.287 2.624 1.00 22.13 C ATOM 927 C THR A 56 28.697 -0.489 3.204 1.00 0.13 C ATOM 928 O THR A 56 28.235 0.313 4.015 1.00 25.41 O ATOM 929 CB THR A 56 31.190 -1.026 3.401 1.00 13.11 C ATOM 930 OG1 THR A 56 30.925 -0.703 4.764 1.00 61.24 O ATOM 931 CG2 THR A 56 32.583 -0.448 3.145 1.00 24.54 C ATOM 0 H THR A 56 30.467 1.570 3.521 1.00 43.30 H new ATOM 0 HA THR A 56 30.061 -0.699 1.616 1.00 22.13 H new ATOM 0 HB THR A 56 31.179 -2.081 3.128 1.00 13.11 H new ATOM 0 HG1 THR A 56 30.687 -1.518 5.253 1.00 61.24 H new ATOM 0 HG21 THR A 56 33.321 -1.008 3.720 1.00 24.54 H new ATOM 0 HG22 THR A 56 32.818 -0.522 2.083 1.00 24.54 H new ATOM 0 HG23 THR A 56 32.604 0.598 3.449 1.00 24.54 H new ATOM 939 N VAL A 57 28.059 -1.564 2.766 1.00 23.41 N ATOM 940 CA VAL A 57 26.720 -1.882 3.232 1.00 51.14 C ATOM 941 C VAL A 57 26.626 -1.599 4.732 1.00 11.22 C ATOM 942 O VAL A 57 25.680 -0.959 5.189 1.00 75.32 O ATOM 943 CB VAL A 57 26.370 -3.328 2.873 1.00 42.42 C ATOM 944 CG1 VAL A 57 25.007 -3.720 3.446 1.00 21.30 C ATOM 945 CG2 VAL A 57 26.411 -3.542 1.358 1.00 14.34 C ATOM 0 H VAL A 57 28.445 -2.226 2.093 1.00 23.41 H new ATOM 0 HA VAL A 57 25.983 -1.251 2.735 1.00 51.14 H new ATOM 0 HB VAL A 57 27.121 -3.977 3.323 1.00 42.42 H new ATOM 0 HG11 VAL A 57 24.782 -4.752 3.177 1.00 21.30 H new ATOM 0 HG12 VAL A 57 25.028 -3.625 4.532 1.00 21.30 H new ATOM 0 HG13 VAL A 57 24.238 -3.063 3.039 1.00 21.30 H new ATOM 0 HG21 VAL A 57 26.159 -4.578 1.130 1.00 14.34 H new ATOM 0 HG22 VAL A 57 25.692 -2.879 0.877 1.00 14.34 H new ATOM 0 HG23 VAL A 57 27.412 -3.322 0.986 1.00 14.34 H new ATOM 955 N GLY A 58 27.620 -2.089 5.458 1.00 61.01 N ATOM 956 CA GLY A 58 27.661 -1.897 6.898 1.00 44.24 C ATOM 957 C GLY A 58 27.189 -0.492 7.277 1.00 13.10 C ATOM 958 O GLY A 58 26.279 -0.338 8.090 1.00 13.21 O ATOM 0 H GLY A 58 28.403 -2.619 5.076 1.00 61.01 H new ATOM 0 HA2 GLY A 58 27.030 -2.640 7.386 1.00 44.24 H new ATOM 0 HA3 GLY A 58 28.677 -2.053 7.261 1.00 44.24 H new ATOM 962 N GLN A 59 27.828 0.497 6.670 1.00 22.00 N ATOM 963 CA GLN A 59 27.485 1.884 6.934 1.00 34.10 C ATOM 964 C GLN A 59 26.010 2.136 6.614 1.00 72.42 C ATOM 965 O GLN A 59 25.266 2.639 7.454 1.00 53.11 O ATOM 966 CB GLN A 59 28.387 2.833 6.143 1.00 61.43 C ATOM 967 CG GLN A 59 29.838 2.347 6.155 1.00 71.33 C ATOM 968 CD GLN A 59 30.806 3.504 5.903 1.00 51.54 C ATOM 969 OE1 GLN A 59 30.415 4.644 5.710 1.00 13.14 O ATOM 970 NE2 GLN A 59 32.088 3.150 5.914 1.00 12.22 N ATOM 0 H GLN A 59 28.582 0.365 5.996 1.00 22.00 H new ATOM 0 HA GLN A 59 27.646 2.082 7.994 1.00 34.10 H new ATOM 0 HB2 GLN A 59 28.032 2.905 5.115 1.00 61.43 H new ATOM 0 HB3 GLN A 59 28.331 3.834 6.570 1.00 61.43 H new ATOM 0 HG2 GLN A 59 30.062 1.884 7.116 1.00 71.33 H new ATOM 0 HG3 GLN A 59 29.975 1.581 5.392 1.00 71.33 H new ATOM 0 HE21 GLN A 59 32.347 2.178 6.082 1.00 12.22 H new ATOM 0 HE22 GLN A 59 32.812 3.851 5.755 1.00 12.22 H new ATOM 979 N PHE A 60 25.631 1.774 5.397 1.00 64.42 N ATOM 980 CA PHE A 60 24.259 1.954 4.955 1.00 32.22 C ATOM 981 C PHE A 60 23.272 1.461 6.016 1.00 43.11 C ATOM 982 O PHE A 60 22.393 2.207 6.445 1.00 24.34 O ATOM 983 CB PHE A 60 24.084 1.118 3.686 1.00 50.03 C ATOM 984 CG PHE A 60 22.745 1.334 2.978 1.00 34.33 C ATOM 985 CD1 PHE A 60 22.603 2.350 2.086 1.00 70.14 C ATOM 986 CD2 PHE A 60 21.696 0.509 3.242 1.00 13.21 C ATOM 987 CE1 PHE A 60 21.360 2.550 1.429 1.00 51.01 C ATOM 988 CE2 PHE A 60 20.453 0.709 2.585 1.00 13.35 C ATOM 989 CZ PHE A 60 20.311 1.725 1.693 1.00 50.53 C ATOM 0 H PHE A 60 26.251 1.357 4.703 1.00 64.42 H new ATOM 0 HA PHE A 60 24.062 3.011 4.776 1.00 32.22 H new ATOM 0 HB2 PHE A 60 24.892 1.354 2.993 1.00 50.03 H new ATOM 0 HB3 PHE A 60 24.182 0.063 3.942 1.00 50.03 H new ATOM 0 HD1 PHE A 60 23.436 3.005 1.877 1.00 70.14 H new ATOM 0 HD2 PHE A 60 21.809 -0.298 3.951 1.00 13.21 H new ATOM 0 HE1 PHE A 60 21.247 3.357 0.720 1.00 51.01 H new ATOM 0 HE2 PHE A 60 19.620 0.054 2.794 1.00 13.35 H new ATOM 0 HZ PHE A 60 19.365 1.877 1.194 1.00 50.53 H new ATOM 999 N VAL A 61 23.451 0.208 6.408 1.00 42.22 N ATOM 1000 CA VAL A 61 22.588 -0.393 7.410 1.00 12.01 C ATOM 1001 C VAL A 61 22.505 0.532 8.626 1.00 33.32 C ATOM 1002 O VAL A 61 21.503 0.536 9.340 1.00 21.33 O ATOM 1003 CB VAL A 61 23.089 -1.796 7.759 1.00 52.10 C ATOM 1004 CG1 VAL A 61 22.079 -2.535 8.639 1.00 25.44 C ATOM 1005 CG2 VAL A 61 23.403 -2.596 6.493 1.00 33.44 C ATOM 0 H VAL A 61 24.181 -0.407 6.050 1.00 42.22 H new ATOM 0 HA VAL A 61 21.576 -0.511 7.022 1.00 12.01 H new ATOM 0 HB VAL A 61 24.014 -1.691 8.327 1.00 52.10 H new ATOM 0 HG11 VAL A 61 22.459 -3.529 8.873 1.00 25.44 H new ATOM 0 HG12 VAL A 61 21.926 -1.978 9.564 1.00 25.44 H new ATOM 0 HG13 VAL A 61 21.131 -2.624 8.108 1.00 25.44 H new ATOM 0 HG21 VAL A 61 23.757 -3.589 6.769 1.00 33.44 H new ATOM 0 HG22 VAL A 61 22.501 -2.687 5.887 1.00 33.44 H new ATOM 0 HG23 VAL A 61 24.175 -2.082 5.920 1.00 33.44 H new ATOM 1015 N TYR A 62 23.571 1.293 8.825 1.00 53.15 N ATOM 1016 CA TYR A 62 23.631 2.220 9.942 1.00 50.00 C ATOM 1017 C TYR A 62 22.874 3.511 9.625 1.00 51.33 C ATOM 1018 O TYR A 62 21.916 3.859 10.314 1.00 4.01 O ATOM 1019 CB TYR A 62 25.113 2.547 10.139 1.00 35.13 C ATOM 1020 CG TYR A 62 25.494 2.854 11.589 1.00 63.14 C ATOM 1021 CD1 TYR A 62 25.058 2.030 12.607 1.00 42.15 C ATOM 1022 CD2 TYR A 62 26.275 3.955 11.878 1.00 33.43 C ATOM 1023 CE1 TYR A 62 25.418 2.319 13.971 1.00 54.03 C ATOM 1024 CE2 TYR A 62 26.634 4.244 13.242 1.00 21.45 C ATOM 1025 CZ TYR A 62 26.188 3.412 14.221 1.00 32.53 C ATOM 1026 OH TYR A 62 26.527 3.684 15.510 1.00 42.43 O ATOM 0 H TYR A 62 24.400 1.287 8.231 1.00 53.15 H new ATOM 0 HA TYR A 62 23.178 1.780 10.830 1.00 50.00 H new ATOM 0 HB2 TYR A 62 25.710 1.706 9.787 1.00 35.13 H new ATOM 0 HB3 TYR A 62 25.372 3.404 9.517 1.00 35.13 H new ATOM 0 HD1 TYR A 62 24.447 1.169 12.381 1.00 42.15 H new ATOM 0 HD2 TYR A 62 26.617 4.599 11.081 1.00 33.43 H new ATOM 0 HE1 TYR A 62 25.084 1.682 14.777 1.00 54.03 H new ATOM 0 HE2 TYR A 62 27.244 5.102 13.482 1.00 21.45 H new ATOM 0 HH TYR A 62 27.080 4.493 15.539 1.00 42.43 H new ATOM 1036 N VAL A 63 23.332 4.187 8.581 1.00 72.31 N ATOM 1037 CA VAL A 63 22.710 5.432 8.164 1.00 72.00 C ATOM 1038 C VAL A 63 21.189 5.297 8.266 1.00 22.31 C ATOM 1039 O VAL A 63 20.526 6.143 8.863 1.00 51.42 O ATOM 1040 CB VAL A 63 23.183 5.809 6.759 1.00 65.43 C ATOM 1041 CG1 VAL A 63 22.159 6.701 6.056 1.00 52.23 C ATOM 1042 CG2 VAL A 63 24.557 6.481 6.805 1.00 52.50 C ATOM 0 H VAL A 63 24.127 3.896 8.012 1.00 72.31 H new ATOM 0 HA VAL A 63 23.009 6.247 8.823 1.00 72.00 H new ATOM 0 HB VAL A 63 23.279 4.890 6.180 1.00 65.43 H new ATOM 0 HG11 VAL A 63 22.520 6.954 5.059 1.00 52.23 H new ATOM 0 HG12 VAL A 63 21.210 6.171 5.974 1.00 52.23 H new ATOM 0 HG13 VAL A 63 22.016 7.615 6.633 1.00 52.23 H new ATOM 0 HG21 VAL A 63 24.870 6.739 5.793 1.00 52.50 H new ATOM 0 HG22 VAL A 63 24.499 7.387 7.409 1.00 52.50 H new ATOM 0 HG23 VAL A 63 25.282 5.797 7.246 1.00 52.50 H new ATOM 1052 N ILE A 64 20.681 4.225 7.675 1.00 44.43 N ATOM 1053 CA ILE A 64 19.251 3.968 7.692 1.00 44.44 C ATOM 1054 C ILE A 64 18.752 3.984 9.138 1.00 52.24 C ATOM 1055 O ILE A 64 17.801 4.694 9.462 1.00 71.11 O ATOM 1056 CB ILE A 64 18.931 2.672 6.944 1.00 1.24 C ATOM 1057 CG1 ILE A 64 18.919 2.900 5.432 1.00 55.15 C ATOM 1058 CG2 ILE A 64 17.620 2.062 7.443 1.00 32.41 C ATOM 1059 CD1 ILE A 64 20.320 2.736 4.841 1.00 43.14 C ATOM 0 H ILE A 64 21.234 3.525 7.181 1.00 44.43 H new ATOM 0 HA ILE A 64 18.715 4.755 7.161 1.00 44.44 H new ATOM 0 HB ILE A 64 19.722 1.952 7.154 1.00 1.24 H new ATOM 0 HG12 ILE A 64 18.236 2.194 4.960 1.00 55.15 H new ATOM 0 HG13 ILE A 64 18.544 3.900 5.215 1.00 55.15 H new ATOM 0 HG21 ILE A 64 17.415 1.142 6.896 1.00 32.41 H new ATOM 0 HG22 ILE A 64 17.704 1.840 8.507 1.00 32.41 H new ATOM 0 HG23 ILE A 64 16.806 2.769 7.283 1.00 32.41 H new ATOM 0 HD11 ILE A 64 20.283 2.903 3.765 1.00 43.14 H new ATOM 0 HD12 ILE A 64 20.995 3.460 5.298 1.00 43.14 H new ATOM 0 HD13 ILE A 64 20.683 1.727 5.039 1.00 43.14 H new ATOM 1071 N ARG A 65 19.415 3.193 9.968 1.00 45.30 N ATOM 1072 CA ARG A 65 19.051 3.107 11.372 1.00 53.51 C ATOM 1073 C ARG A 65 18.900 4.509 11.968 1.00 73.43 C ATOM 1074 O ARG A 65 18.207 4.690 12.968 1.00 42.31 O ATOM 1075 CB ARG A 65 20.103 2.333 12.168 1.00 70.11 C ATOM 1076 CG ARG A 65 19.500 1.743 13.444 1.00 21.33 C ATOM 1077 CD ARG A 65 20.505 0.835 14.156 1.00 20.14 C ATOM 1078 NE ARG A 65 21.150 -0.070 13.179 1.00 23.33 N ATOM 1079 CZ ARG A 65 22.348 -0.662 13.372 1.00 3.11 C ATOM 1080 NH1 ARG A 65 23.043 -0.448 14.510 1.00 72.31 N ATOM 1081 NH2 ARG A 65 22.830 -1.452 12.431 1.00 25.54 N ATOM 0 H ARG A 65 20.203 2.605 9.695 1.00 45.30 H new ATOM 0 HA ARG A 65 18.101 2.576 11.436 1.00 53.51 H new ATOM 0 HB2 ARG A 65 20.514 1.533 11.552 1.00 70.11 H new ATOM 0 HB3 ARG A 65 20.930 2.995 12.425 1.00 70.11 H new ATOM 0 HG2 ARG A 65 19.195 2.548 14.112 1.00 21.33 H new ATOM 0 HG3 ARG A 65 18.603 1.176 13.198 1.00 21.33 H new ATOM 0 HD2 ARG A 65 21.261 1.439 14.659 1.00 20.14 H new ATOM 0 HD3 ARG A 65 19.999 0.252 14.926 1.00 20.14 H new ATOM 0 HE ARG A 65 20.659 -0.258 12.305 1.00 23.33 H new ATOM 0 HH11 ARG A 65 22.664 0.165 15.232 1.00 72.31 H new ATOM 0 HH12 ARG A 65 23.947 -0.899 14.648 1.00 72.31 H new ATOM 0 HH21 ARG A 65 22.299 -1.607 11.574 1.00 25.54 H new ATOM 0 HH22 ARG A 65 23.734 -1.907 12.561 1.00 25.54 H new ATOM 1094 N LYS A 66 19.559 5.463 11.328 1.00 2.20 N ATOM 1095 CA LYS A 66 19.507 6.842 11.782 1.00 11.43 C ATOM 1096 C LYS A 66 18.143 7.440 11.430 1.00 61.42 C ATOM 1097 O LYS A 66 17.533 8.127 12.247 1.00 54.01 O ATOM 1098 CB LYS A 66 20.689 7.636 11.222 1.00 1.04 C ATOM 1099 CG LYS A 66 21.984 6.826 11.311 1.00 4.42 C ATOM 1100 CD LYS A 66 22.143 6.195 12.696 1.00 54.21 C ATOM 1101 CE LYS A 66 23.616 5.935 13.015 1.00 42.03 C ATOM 1102 NZ LYS A 66 24.360 7.211 13.105 1.00 10.33 N ATOM 0 H LYS A 66 20.132 5.308 10.498 1.00 2.20 H new ATOM 0 HA LYS A 66 19.606 6.889 12.866 1.00 11.43 H new ATOM 0 HB2 LYS A 66 20.493 7.903 10.183 1.00 1.04 H new ATOM 0 HB3 LYS A 66 20.800 8.569 11.775 1.00 1.04 H new ATOM 0 HG2 LYS A 66 21.982 6.046 10.550 1.00 4.42 H new ATOM 0 HG3 LYS A 66 22.836 7.472 11.102 1.00 4.42 H new ATOM 0 HD2 LYS A 66 21.715 6.854 13.451 1.00 54.21 H new ATOM 0 HD3 LYS A 66 21.587 5.258 12.739 1.00 54.21 H new ATOM 0 HE2 LYS A 66 23.700 5.391 13.956 1.00 42.03 H new ATOM 0 HE3 LYS A 66 24.056 5.305 12.242 1.00 42.03 H new ATOM 0 HZ1 LYS A 66 25.158 7.102 13.762 1.00 10.33 H new ATOM 0 HZ2 LYS A 66 24.719 7.471 12.164 1.00 10.33 H new ATOM 0 HZ3 LYS A 66 23.726 7.959 13.452 1.00 10.33 H new ATOM 1115 N ARG A 67 17.705 7.155 10.212 1.00 3.40 N ATOM 1116 CA ARG A 67 16.425 7.656 9.741 1.00 31.23 C ATOM 1117 C ARG A 67 15.292 7.132 10.627 1.00 43.04 C ATOM 1118 O ARG A 67 14.194 7.686 10.628 1.00 20.20 O ATOM 1119 CB ARG A 67 16.168 7.234 8.293 1.00 14.42 C ATOM 1120 CG ARG A 67 16.860 8.185 7.314 1.00 22.33 C ATOM 1121 CD ARG A 67 15.947 9.357 6.949 1.00 70.30 C ATOM 1122 NE ARG A 67 16.666 10.303 6.067 1.00 60.33 N ATOM 1123 CZ ARG A 67 16.266 11.570 5.831 1.00 44.35 C ATOM 1124 NH1 ARG A 67 15.148 12.055 6.410 1.00 12.43 N ATOM 1125 NH2 ARG A 67 16.986 12.328 5.024 1.00 14.51 N ATOM 0 H ARG A 67 18.214 6.584 9.537 1.00 3.40 H new ATOM 0 HA ARG A 67 16.456 8.744 9.790 1.00 31.23 H new ATOM 0 HB2 ARG A 67 16.531 6.218 8.137 1.00 14.42 H new ATOM 0 HB3 ARG A 67 15.096 7.223 8.098 1.00 14.42 H new ATOM 0 HG2 ARG A 67 17.781 8.562 7.758 1.00 22.33 H new ATOM 0 HG3 ARG A 67 17.140 7.642 6.411 1.00 22.33 H new ATOM 0 HD2 ARG A 67 15.052 8.989 6.448 1.00 70.30 H new ATOM 0 HD3 ARG A 67 15.619 9.868 7.854 1.00 70.30 H new ATOM 0 HE ARG A 67 17.517 9.977 5.609 1.00 60.33 H new ATOM 0 HH11 ARG A 67 14.598 11.463 7.032 1.00 12.43 H new ATOM 0 HH12 ARG A 67 14.853 13.014 6.226 1.00 12.43 H new ATOM 0 HH21 ARG A 67 17.830 11.953 4.590 1.00 14.51 H new ATOM 0 HH22 ARG A 67 16.698 13.288 4.834 1.00 14.51 H new ATOM 1138 N ILE A 68 15.599 6.071 11.358 1.00 34.23 N ATOM 1139 CA ILE A 68 14.620 5.466 12.246 1.00 0.10 C ATOM 1140 C ILE A 68 15.072 5.649 13.696 1.00 14.44 C ATOM 1141 O ILE A 68 14.301 5.412 14.625 1.00 72.50 O ATOM 1142 CB ILE A 68 14.374 4.007 11.858 1.00 24.42 C ATOM 1143 CG1 ILE A 68 15.677 3.325 11.436 1.00 64.15 C ATOM 1144 CG2 ILE A 68 13.296 3.900 10.779 1.00 55.35 C ATOM 1145 CD1 ILE A 68 15.435 1.860 11.066 1.00 50.35 C ATOM 0 H ILE A 68 16.511 5.615 11.354 1.00 34.23 H new ATOM 0 HA ILE A 68 13.656 5.965 12.147 1.00 0.10 H new ATOM 0 HB ILE A 68 14.003 3.478 12.736 1.00 24.42 H new ATOM 0 HG12 ILE A 68 16.108 3.852 10.585 1.00 64.15 H new ATOM 0 HG13 ILE A 68 16.402 3.384 12.248 1.00 64.15 H new ATOM 0 HG21 ILE A 68 13.141 2.852 10.522 1.00 55.35 H new ATOM 0 HG22 ILE A 68 12.364 4.323 11.153 1.00 55.35 H new ATOM 0 HG23 ILE A 68 13.613 4.448 9.892 1.00 55.35 H new ATOM 0 HD11 ILE A 68 16.377 1.399 10.770 1.00 50.35 H new ATOM 0 HD12 ILE A 68 15.026 1.330 11.926 1.00 50.35 H new ATOM 0 HD13 ILE A 68 14.729 1.806 10.238 1.00 50.35 H new ATOM 1157 N MET A 69 16.319 6.071 13.845 1.00 32.25 N ATOM 1158 CA MET A 69 16.882 6.289 15.167 1.00 62.30 C ATOM 1159 C MET A 69 16.459 5.180 16.133 1.00 1.21 C ATOM 1160 O MET A 69 16.012 5.458 17.245 1.00 51.03 O ATOM 1161 CB MET A 69 16.413 7.642 15.705 1.00 20.23 C ATOM 1162 CG MET A 69 14.888 7.688 15.819 1.00 71.25 C ATOM 1163 SD MET A 69 14.387 9.142 16.724 1.00 55.10 S ATOM 1164 CE MET A 69 15.055 10.413 15.664 1.00 43.10 C ATOM 0 H MET A 69 16.955 6.268 13.072 1.00 32.25 H new ATOM 0 HA MET A 69 17.969 6.278 15.085 1.00 62.30 H new ATOM 0 HB2 MET A 69 16.860 7.823 16.682 1.00 20.23 H new ATOM 0 HB3 MET A 69 16.756 8.439 15.045 1.00 20.23 H new ATOM 0 HG2 MET A 69 14.441 7.696 14.825 1.00 71.25 H new ATOM 0 HG3 MET A 69 14.526 6.793 16.324 1.00 71.25 H new ATOM 0 HE1 MET A 69 14.563 11.362 15.879 1.00 43.10 H new ATOM 0 HE2 MET A 69 16.126 10.511 15.843 1.00 43.10 H new ATOM 0 HE3 MET A 69 14.885 10.144 14.622 1.00 43.10 H new ATOM 1174 N LEU A 70 16.615 3.947 15.674 1.00 44.43 N ATOM 1175 CA LEU A 70 16.255 2.796 16.483 1.00 22.23 C ATOM 1176 C LEU A 70 17.250 2.658 17.637 1.00 22.23 C ATOM 1177 O LEU A 70 18.383 3.127 17.544 1.00 24.02 O ATOM 1178 CB LEU A 70 16.145 1.542 15.613 1.00 42.31 C ATOM 1179 CG LEU A 70 14.726 1.094 15.259 1.00 52.13 C ATOM 1180 CD1 LEU A 70 13.784 2.294 15.148 1.00 15.21 C ATOM 1181 CD2 LEU A 70 14.721 0.242 13.988 1.00 51.33 C ATOM 0 H LEU A 70 16.986 3.720 14.751 1.00 44.43 H new ATOM 0 HA LEU A 70 15.269 2.936 16.926 1.00 22.23 H new ATOM 0 HB2 LEU A 70 16.691 1.718 14.686 1.00 42.31 H new ATOM 0 HB3 LEU A 70 16.646 0.722 16.127 1.00 42.31 H new ATOM 0 HG LEU A 70 14.354 0.466 16.069 1.00 52.13 H new ATOM 0 HD11 LEU A 70 12.782 1.948 14.895 1.00 15.21 H new ATOM 0 HD12 LEU A 70 13.756 2.824 16.100 1.00 15.21 H new ATOM 0 HD13 LEU A 70 14.142 2.967 14.369 1.00 15.21 H new ATOM 0 HD21 LEU A 70 13.700 -0.063 13.759 1.00 51.33 H new ATOM 0 HD22 LEU A 70 15.121 0.825 13.158 1.00 51.33 H new ATOM 0 HD23 LEU A 70 15.339 -0.643 14.141 1.00 51.33 H new ATOM 1193 N PRO A 71 16.778 1.995 18.727 1.00 63.31 N ATOM 1194 CA PRO A 71 17.614 1.789 19.898 1.00 52.02 C ATOM 1195 C PRO A 71 18.656 0.699 19.643 1.00 64.33 C ATOM 1196 O PRO A 71 18.586 -0.010 18.640 1.00 62.01 O ATOM 1197 CB PRO A 71 16.646 1.435 21.015 1.00 55.52 C ATOM 1198 CG PRO A 71 15.360 1.002 20.330 1.00 34.30 C ATOM 1199 CD PRO A 71 15.442 1.425 18.873 1.00 52.34 C ATOM 0 HA PRO A 71 18.197 2.672 20.159 1.00 52.02 H new ATOM 0 HB2 PRO A 71 17.045 0.635 21.639 1.00 55.52 H new ATOM 0 HB3 PRO A 71 16.472 2.291 21.667 1.00 55.52 H new ATOM 0 HG2 PRO A 71 15.231 -0.078 20.407 1.00 34.30 H new ATOM 0 HG3 PRO A 71 14.497 1.461 20.813 1.00 34.30 H new ATOM 0 HD2 PRO A 71 15.299 0.575 18.205 1.00 52.34 H new ATOM 0 HD3 PRO A 71 14.671 2.156 18.629 1.00 52.34 H new ATOM 1207 N PRO A 72 19.624 0.596 20.592 1.00 25.24 N ATOM 1208 CA PRO A 72 20.680 -0.396 20.481 1.00 61.34 C ATOM 1209 C PRO A 72 20.156 -1.795 20.814 1.00 41.32 C ATOM 1210 O PRO A 72 20.904 -2.770 20.764 1.00 1.14 O ATOM 1211 CB PRO A 72 21.765 0.075 21.435 1.00 22.51 C ATOM 1212 CG PRO A 72 21.090 1.050 22.386 1.00 72.25 C ATOM 1213 CD PRO A 72 19.739 1.418 21.793 1.00 3.03 C ATOM 0 HA PRO A 72 21.071 -0.482 19.467 1.00 61.34 H new ATOM 0 HB2 PRO A 72 22.198 -0.764 21.979 1.00 22.51 H new ATOM 0 HB3 PRO A 72 22.579 0.558 20.893 1.00 22.51 H new ATOM 0 HG2 PRO A 72 20.965 0.599 23.370 1.00 72.25 H new ATOM 0 HG3 PRO A 72 21.704 1.941 22.519 1.00 72.25 H new ATOM 0 HD2 PRO A 72 18.930 1.211 22.493 1.00 3.03 H new ATOM 0 HD3 PRO A 72 19.688 2.480 21.552 1.00 3.03 H new ATOM 1221 N GLU A 73 18.875 -1.848 21.146 1.00 55.14 N ATOM 1222 CA GLU A 73 18.242 -3.111 21.487 1.00 54.42 C ATOM 1223 C GLU A 73 17.550 -3.707 20.259 1.00 42.41 C ATOM 1224 O GLU A 73 17.430 -4.925 20.140 1.00 14.13 O ATOM 1225 CB GLU A 73 17.253 -2.934 22.641 1.00 21.20 C ATOM 1226 CG GLU A 73 15.992 -2.203 22.176 1.00 3.52 C ATOM 1227 CD GLU A 73 14.957 -2.125 23.301 1.00 64.05 C ATOM 1228 OE1 GLU A 73 13.754 -2.279 23.047 1.00 74.43 O ATOM 1229 OE2 GLU A 73 15.443 -1.896 24.474 1.00 71.24 O ATOM 0 H GLU A 73 18.258 -1.037 21.186 1.00 55.14 H new ATOM 0 HA GLU A 73 19.015 -3.805 21.817 1.00 54.42 H new ATOM 0 HB2 GLU A 73 16.984 -3.909 23.046 1.00 21.20 H new ATOM 0 HB3 GLU A 73 17.726 -2.373 23.447 1.00 21.20 H new ATOM 0 HG2 GLU A 73 16.251 -1.197 21.845 1.00 3.52 H new ATOM 0 HG3 GLU A 73 15.563 -2.720 21.318 1.00 3.52 H new ATOM 1237 N LYS A 74 17.114 -2.820 19.376 1.00 0.14 N ATOM 1238 CA LYS A 74 16.438 -3.243 18.162 1.00 72.01 C ATOM 1239 C LYS A 74 17.420 -4.016 17.279 1.00 10.32 C ATOM 1240 O LYS A 74 18.608 -4.094 17.587 1.00 2.54 O ATOM 1241 CB LYS A 74 15.794 -2.045 17.462 1.00 14.30 C ATOM 1242 CG LYS A 74 14.294 -1.978 17.759 1.00 40.44 C ATOM 1243 CD LYS A 74 13.473 -2.351 16.522 1.00 4.14 C ATOM 1244 CE LYS A 74 12.114 -2.929 16.921 1.00 51.52 C ATOM 1245 NZ LYS A 74 12.271 -4.295 17.466 1.00 22.34 N ATOM 0 H LYS A 74 17.216 -1.810 19.478 1.00 0.14 H new ATOM 0 HA LYS A 74 15.619 -3.922 18.399 1.00 72.01 H new ATOM 0 HB2 LYS A 74 16.275 -1.124 17.792 1.00 14.30 H new ATOM 0 HB3 LYS A 74 15.952 -2.119 16.386 1.00 14.30 H new ATOM 0 HG2 LYS A 74 14.051 -2.654 18.579 1.00 40.44 H new ATOM 0 HG3 LYS A 74 14.029 -0.973 18.086 1.00 40.44 H new ATOM 0 HD2 LYS A 74 13.328 -1.469 15.898 1.00 4.14 H new ATOM 0 HD3 LYS A 74 14.021 -3.079 15.923 1.00 4.14 H new ATOM 0 HE2 LYS A 74 11.643 -2.286 17.665 1.00 51.52 H new ATOM 0 HE3 LYS A 74 11.453 -2.951 16.055 1.00 51.52 H new ATOM 0 HZ1 LYS A 74 11.365 -4.802 17.400 1.00 22.34 H new ATOM 0 HZ2 LYS A 74 12.994 -4.806 16.920 1.00 22.34 H new ATOM 0 HZ3 LYS A 74 12.564 -4.240 18.462 1.00 22.34 H new ATOM 1258 N ALA A 75 16.887 -4.568 16.199 1.00 42.51 N ATOM 1259 CA ALA A 75 17.702 -5.331 15.269 1.00 20.44 C ATOM 1260 C ALA A 75 17.128 -5.188 13.858 1.00 23.12 C ATOM 1261 O ALA A 75 16.092 -5.772 13.543 1.00 5.22 O ATOM 1262 CB ALA A 75 17.767 -6.790 15.727 1.00 44.11 C ATOM 0 H ALA A 75 15.901 -4.502 15.947 1.00 42.51 H new ATOM 0 HA ALA A 75 18.723 -4.949 15.250 1.00 20.44 H new ATOM 0 HB1 ALA A 75 18.378 -7.363 15.030 1.00 44.11 H new ATOM 0 HB2 ALA A 75 18.209 -6.840 16.722 1.00 44.11 H new ATOM 0 HB3 ALA A 75 16.761 -7.208 15.755 1.00 44.11 H new ATOM 1268 N ILE A 76 17.827 -4.408 13.046 1.00 32.14 N ATOM 1269 CA ILE A 76 17.400 -4.181 11.676 1.00 11.22 C ATOM 1270 C ILE A 76 18.335 -4.929 10.724 1.00 4.23 C ATOM 1271 O ILE A 76 19.447 -5.297 11.102 1.00 13.21 O ATOM 1272 CB ILE A 76 17.300 -2.681 11.388 1.00 33.50 C ATOM 1273 CG1 ILE A 76 16.181 -2.389 10.386 1.00 35.25 C ATOM 1274 CG2 ILE A 76 18.646 -2.121 10.923 1.00 34.42 C ATOM 1275 CD1 ILE A 76 15.851 -0.896 10.353 1.00 13.43 C ATOM 0 H ILE A 76 18.686 -3.926 13.311 1.00 32.14 H new ATOM 0 HA ILE A 76 16.398 -4.580 11.518 1.00 11.22 H new ATOM 0 HB ILE A 76 17.043 -2.171 12.316 1.00 33.50 H new ATOM 0 HG12 ILE A 76 16.482 -2.721 9.392 1.00 35.25 H new ATOM 0 HG13 ILE A 76 15.290 -2.956 10.655 1.00 35.25 H new ATOM 0 HG21 ILE A 76 18.547 -1.054 10.725 1.00 34.42 H new ATOM 0 HG22 ILE A 76 19.394 -2.278 11.700 1.00 34.42 H new ATOM 0 HG23 ILE A 76 18.957 -2.632 10.012 1.00 34.42 H new ATOM 0 HD11 ILE A 76 15.053 -0.716 9.633 1.00 13.43 H new ATOM 0 HD12 ILE A 76 15.527 -0.573 11.342 1.00 13.43 H new ATOM 0 HD13 ILE A 76 16.738 -0.334 10.060 1.00 13.43 H new ATOM 1287 N PHE A 77 17.851 -5.132 9.508 1.00 43.52 N ATOM 1288 CA PHE A 77 18.630 -5.829 8.499 1.00 63.11 C ATOM 1289 C PHE A 77 18.254 -5.357 7.093 1.00 63.52 C ATOM 1290 O PHE A 77 17.106 -4.996 6.842 1.00 74.11 O ATOM 1291 CB PHE A 77 18.301 -7.317 8.630 1.00 63.52 C ATOM 1292 CG PHE A 77 18.535 -7.885 10.031 1.00 31.42 C ATOM 1293 CD1 PHE A 77 17.593 -7.718 10.998 1.00 23.43 C ATOM 1294 CD2 PHE A 77 19.684 -8.557 10.310 1.00 60.32 C ATOM 1295 CE1 PHE A 77 17.810 -8.245 12.299 1.00 61.42 C ATOM 1296 CE2 PHE A 77 19.901 -9.084 11.610 1.00 32.44 C ATOM 1297 CZ PHE A 77 18.959 -8.917 12.578 1.00 63.35 C ATOM 0 H PHE A 77 16.929 -4.826 9.198 1.00 43.52 H new ATOM 0 HA PHE A 77 19.692 -5.632 8.647 1.00 63.11 H new ATOM 0 HB2 PHE A 77 17.258 -7.474 8.355 1.00 63.52 H new ATOM 0 HB3 PHE A 77 18.906 -7.877 7.917 1.00 63.52 H new ATOM 0 HD1 PHE A 77 16.680 -7.185 10.777 1.00 23.43 H new ATOM 0 HD2 PHE A 77 20.432 -8.690 9.542 1.00 60.32 H new ATOM 0 HE1 PHE A 77 17.062 -8.112 13.067 1.00 61.42 H new ATOM 0 HE2 PHE A 77 20.814 -9.618 11.831 1.00 32.44 H new ATOM 0 HZ PHE A 77 19.124 -9.318 13.567 1.00 63.35 H new ATOM 1307 N ILE A 78 19.244 -5.376 6.212 1.00 22.44 N ATOM 1308 CA ILE A 78 19.032 -4.955 4.838 1.00 33.21 C ATOM 1309 C ILE A 78 19.060 -6.181 3.923 1.00 30.33 C ATOM 1310 O ILE A 78 19.903 -7.062 4.086 1.00 33.42 O ATOM 1311 CB ILE A 78 20.040 -3.873 4.447 1.00 2.03 C ATOM 1312 CG1 ILE A 78 20.400 -2.999 5.650 1.00 11.33 C ATOM 1313 CG2 ILE A 78 19.525 -3.043 3.269 1.00 23.43 C ATOM 1314 CD1 ILE A 78 19.179 -2.224 6.150 1.00 34.30 C ATOM 0 H ILE A 78 20.195 -5.677 6.424 1.00 22.44 H new ATOM 0 HA ILE A 78 18.049 -4.497 4.728 1.00 33.21 H new ATOM 0 HB ILE A 78 20.957 -4.363 4.119 1.00 2.03 H new ATOM 0 HG12 ILE A 78 20.793 -3.623 6.453 1.00 11.33 H new ATOM 0 HG13 ILE A 78 21.190 -2.301 5.373 1.00 11.33 H new ATOM 0 HG21 ILE A 78 20.261 -2.281 3.011 1.00 23.43 H new ATOM 0 HG22 ILE A 78 19.360 -3.693 2.410 1.00 23.43 H new ATOM 0 HG23 ILE A 78 18.587 -2.562 3.545 1.00 23.43 H new ATOM 0 HD11 ILE A 78 19.463 -1.611 7.005 1.00 34.30 H new ATOM 0 HD12 ILE A 78 18.803 -1.583 5.353 1.00 34.30 H new ATOM 0 HD13 ILE A 78 18.400 -2.926 6.449 1.00 34.30 H new ATOM 1326 N PHE A 79 18.129 -6.199 2.981 1.00 13.42 N ATOM 1327 CA PHE A 79 18.036 -7.302 2.040 1.00 22.03 C ATOM 1328 C PHE A 79 18.030 -6.793 0.597 1.00 34.24 C ATOM 1329 O PHE A 79 17.174 -5.994 0.221 1.00 35.30 O ATOM 1330 CB PHE A 79 16.715 -8.020 2.321 1.00 12.04 C ATOM 1331 CG PHE A 79 16.720 -8.853 3.605 1.00 60.12 C ATOM 1332 CD1 PHE A 79 16.493 -8.255 4.805 1.00 42.21 C ATOM 1333 CD2 PHE A 79 16.951 -10.192 3.545 1.00 5.14 C ATOM 1334 CE1 PHE A 79 16.498 -9.028 5.996 1.00 41.12 C ATOM 1335 CE2 PHE A 79 16.956 -10.965 4.736 1.00 25.14 C ATOM 1336 CZ PHE A 79 16.730 -10.367 5.937 1.00 53.25 C ATOM 0 H PHE A 79 17.432 -5.466 2.849 1.00 13.42 H new ATOM 0 HA PHE A 79 18.893 -7.965 2.159 1.00 22.03 H new ATOM 0 HB2 PHE A 79 15.917 -7.280 2.383 1.00 12.04 H new ATOM 0 HB3 PHE A 79 16.481 -8.671 1.479 1.00 12.04 H new ATOM 0 HD1 PHE A 79 16.309 -7.192 4.852 1.00 42.21 H new ATOM 0 HD2 PHE A 79 17.131 -10.667 2.592 1.00 5.14 H new ATOM 0 HE1 PHE A 79 16.318 -8.553 6.949 1.00 41.12 H new ATOM 0 HE2 PHE A 79 17.139 -12.028 4.689 1.00 25.14 H new ATOM 0 HZ PHE A 79 16.735 -10.955 6.843 1.00 53.25 H new ATOM 1346 N VAL A 80 18.994 -7.277 -0.171 1.00 62.14 N ATOM 1347 CA VAL A 80 19.110 -6.881 -1.565 1.00 23.34 C ATOM 1348 C VAL A 80 18.771 -8.075 -2.459 1.00 74.04 C ATOM 1349 O VAL A 80 19.253 -9.183 -2.232 1.00 24.22 O ATOM 1350 CB VAL A 80 20.505 -6.311 -1.832 1.00 73.33 C ATOM 1351 CG1 VAL A 80 21.507 -7.429 -2.127 1.00 73.21 C ATOM 1352 CG2 VAL A 80 20.470 -5.291 -2.972 1.00 4.12 C ATOM 0 H VAL A 80 19.702 -7.940 0.145 1.00 62.14 H new ATOM 0 HA VAL A 80 18.399 -6.088 -1.798 1.00 23.34 H new ATOM 0 HB VAL A 80 20.835 -5.795 -0.930 1.00 73.33 H new ATOM 0 HG11 VAL A 80 22.490 -6.997 -2.313 1.00 73.21 H new ATOM 0 HG12 VAL A 80 21.563 -8.103 -1.272 1.00 73.21 H new ATOM 0 HG13 VAL A 80 21.183 -7.985 -3.007 1.00 73.21 H new ATOM 0 HG21 VAL A 80 21.473 -4.901 -3.142 1.00 4.12 H new ATOM 0 HG22 VAL A 80 20.109 -5.773 -3.881 1.00 4.12 H new ATOM 0 HG23 VAL A 80 19.802 -4.471 -2.707 1.00 4.12 H new ATOM 1362 N ASN A 81 17.942 -7.808 -3.458 1.00 62.14 N ATOM 1363 CA ASN A 81 17.532 -8.847 -4.388 1.00 43.54 C ATOM 1364 C ASN A 81 17.178 -10.114 -3.608 1.00 14.55 C ATOM 1365 O ASN A 81 17.802 -11.157 -3.793 1.00 44.30 O ATOM 1366 CB ASN A 81 18.661 -9.191 -5.361 1.00 64.54 C ATOM 1367 CG ASN A 81 18.577 -8.334 -6.626 1.00 0.24 C ATOM 1368 OD1 ASN A 81 17.544 -8.226 -7.266 1.00 1.32 O ATOM 1369 ND2 ASN A 81 19.718 -7.732 -6.948 1.00 43.11 N ATOM 0 H ASN A 81 17.543 -6.888 -3.644 1.00 62.14 H new ATOM 0 HA ASN A 81 16.673 -8.478 -4.948 1.00 43.54 H new ATOM 0 HB2 ASN A 81 19.624 -9.035 -4.875 1.00 64.54 H new ATOM 0 HB3 ASN A 81 18.606 -10.246 -5.628 1.00 64.54 H new ATOM 0 HD21 ASN A 81 19.765 -7.137 -7.775 1.00 43.11 H new ATOM 0 HD22 ASN A 81 20.546 -7.865 -6.368 1.00 43.11 H new ATOM 1376 N ASP A 82 16.176 -9.981 -2.751 1.00 31.14 N ATOM 1377 CA ASP A 82 15.731 -11.102 -1.941 1.00 35.33 C ATOM 1378 C ASP A 82 16.950 -11.847 -1.394 1.00 61.32 C ATOM 1379 O ASP A 82 16.969 -13.077 -1.364 1.00 15.25 O ATOM 1380 CB ASP A 82 14.907 -12.089 -2.771 1.00 40.31 C ATOM 1381 CG ASP A 82 13.658 -11.497 -3.427 1.00 13.24 C ATOM 1382 OD1 ASP A 82 13.254 -11.912 -4.523 1.00 32.52 O ATOM 1383 OD2 ASP A 82 13.083 -10.557 -2.755 1.00 42.24 O ATOM 0 H ASP A 82 15.660 -9.114 -2.600 1.00 31.14 H new ATOM 0 HA ASP A 82 15.115 -10.709 -1.132 1.00 35.33 H new ATOM 0 HB2 ASP A 82 15.545 -12.507 -3.550 1.00 40.31 H new ATOM 0 HB3 ASP A 82 14.604 -12.916 -2.129 1.00 40.31 H new ATOM 1389 N THR A 83 17.939 -11.071 -0.976 1.00 63.23 N ATOM 1390 CA THR A 83 19.160 -11.642 -0.433 1.00 32.25 C ATOM 1391 C THR A 83 19.664 -10.802 0.743 1.00 73.51 C ATOM 1392 O THR A 83 18.991 -9.868 1.176 1.00 24.13 O ATOM 1393 CB THR A 83 20.174 -11.763 -1.572 1.00 12.11 C ATOM 1394 OG1 THR A 83 20.784 -13.033 -1.361 1.00 33.34 O ATOM 1395 CG2 THR A 83 21.328 -10.768 -1.436 1.00 63.12 C ATOM 0 H THR A 83 17.920 -10.052 -1.002 1.00 63.23 H new ATOM 0 HA THR A 83 18.984 -12.639 -0.029 1.00 32.25 H new ATOM 0 HB THR A 83 19.669 -11.606 -2.525 1.00 12.11 H new ATOM 0 HG1 THR A 83 21.455 -13.193 -2.057 1.00 33.34 H new ATOM 0 HG21 THR A 83 22.019 -10.896 -2.269 1.00 63.12 H new ATOM 0 HG22 THR A 83 20.935 -9.751 -1.443 1.00 63.12 H new ATOM 0 HG23 THR A 83 21.854 -10.947 -0.498 1.00 63.12 H new ATOM 1403 N LEU A 84 20.843 -11.166 1.226 1.00 50.35 N ATOM 1404 CA LEU A 84 21.445 -10.457 2.342 1.00 31.54 C ATOM 1405 C LEU A 84 22.940 -10.273 2.077 1.00 4.03 C ATOM 1406 O LEU A 84 23.728 -11.197 2.275 1.00 2.41 O ATOM 1407 CB LEU A 84 21.137 -11.173 3.659 1.00 24.51 C ATOM 1408 CG LEU A 84 21.098 -10.292 4.909 1.00 44.41 C ATOM 1409 CD1 LEU A 84 19.756 -9.568 5.028 1.00 74.14 C ATOM 1410 CD2 LEU A 84 21.425 -11.104 6.164 1.00 73.14 C ATOM 0 H LEU A 84 21.397 -11.942 0.865 1.00 50.35 H new ATOM 0 HA LEU A 84 21.014 -9.461 2.438 1.00 31.54 H new ATOM 0 HB2 LEU A 84 20.173 -11.673 3.561 1.00 24.51 H new ATOM 0 HB3 LEU A 84 21.886 -11.951 3.810 1.00 24.51 H new ATOM 0 HG LEU A 84 21.869 -9.527 4.811 1.00 44.41 H new ATOM 0 HD11 LEU A 84 19.755 -8.949 5.925 1.00 74.14 H new ATOM 0 HD12 LEU A 84 19.604 -8.938 4.152 1.00 74.14 H new ATOM 0 HD13 LEU A 84 18.952 -10.301 5.092 1.00 74.14 H new ATOM 0 HD21 LEU A 84 21.390 -10.453 7.038 1.00 73.14 H new ATOM 0 HD22 LEU A 84 20.695 -11.905 6.279 1.00 73.14 H new ATOM 0 HD23 LEU A 84 22.423 -11.533 6.070 1.00 73.14 H new ATOM 1422 N PRO A 85 23.296 -9.042 1.622 1.00 53.22 N ATOM 1423 CA PRO A 85 24.683 -8.724 1.328 1.00 73.24 C ATOM 1424 C PRO A 85 25.483 -8.517 2.615 1.00 11.01 C ATOM 1425 O PRO A 85 24.915 -8.198 3.659 1.00 61.43 O ATOM 1426 CB PRO A 85 24.625 -7.480 0.457 1.00 42.40 C ATOM 1427 CG PRO A 85 23.247 -6.879 0.679 1.00 75.12 C ATOM 1428 CD PRO A 85 22.390 -7.923 1.376 1.00 71.52 C ATOM 0 HA PRO A 85 25.199 -9.532 0.810 1.00 73.24 H new ATOM 0 HB2 PRO A 85 25.408 -6.774 0.733 1.00 42.40 H new ATOM 0 HB3 PRO A 85 24.777 -7.731 -0.593 1.00 42.40 H new ATOM 0 HG2 PRO A 85 23.318 -5.976 1.286 1.00 75.12 H new ATOM 0 HG3 PRO A 85 22.799 -6.590 -0.272 1.00 75.12 H new ATOM 0 HD2 PRO A 85 21.975 -7.537 2.307 1.00 71.52 H new ATOM 0 HD3 PRO A 85 21.548 -8.225 0.753 1.00 71.52 H new ATOM 1436 N PRO A 86 26.824 -8.711 2.496 1.00 33.01 N ATOM 1437 CA PRO A 86 27.708 -8.549 3.638 1.00 53.43 C ATOM 1438 C PRO A 86 27.916 -7.068 3.964 1.00 71.32 C ATOM 1439 O PRO A 86 27.685 -6.204 3.119 1.00 35.43 O ATOM 1440 CB PRO A 86 28.994 -9.257 3.243 1.00 14.44 C ATOM 1441 CG PRO A 86 28.951 -9.385 1.729 1.00 22.34 C ATOM 1442 CD PRO A 86 27.531 -9.089 1.276 1.00 1.20 C ATOM 0 HA PRO A 86 27.298 -8.978 4.552 1.00 53.43 H new ATOM 0 HB2 PRO A 86 29.867 -8.688 3.562 1.00 14.44 H new ATOM 0 HB3 PRO A 86 29.062 -10.237 3.716 1.00 14.44 H new ATOM 0 HG2 PRO A 86 29.652 -8.689 1.267 1.00 22.34 H new ATOM 0 HG3 PRO A 86 29.248 -10.388 1.422 1.00 22.34 H new ATOM 0 HD2 PRO A 86 27.510 -8.285 0.541 1.00 1.20 H new ATOM 0 HD3 PRO A 86 27.075 -9.961 0.808 1.00 1.20 H new ATOM 1450 N THR A 87 28.351 -6.821 5.191 1.00 73.03 N ATOM 1451 CA THR A 87 28.593 -5.460 5.639 1.00 71.22 C ATOM 1452 C THR A 87 29.945 -4.962 5.125 1.00 60.24 C ATOM 1453 O THR A 87 30.317 -3.813 5.357 1.00 13.04 O ATOM 1454 CB THR A 87 28.477 -5.437 7.164 1.00 12.01 C ATOM 1455 OG1 THR A 87 29.080 -4.202 7.540 1.00 64.05 O ATOM 1456 CG2 THR A 87 29.352 -6.498 7.834 1.00 32.32 C ATOM 0 H THR A 87 28.542 -7.540 5.889 1.00 73.03 H new ATOM 0 HA THR A 87 27.852 -4.772 5.232 1.00 71.22 H new ATOM 0 HB THR A 87 27.437 -5.591 7.451 1.00 12.01 H new ATOM 0 HG1 THR A 87 29.536 -3.812 6.766 1.00 64.05 H new ATOM 0 HG21 THR A 87 29.232 -6.438 8.916 1.00 32.32 H new ATOM 0 HG22 THR A 87 29.052 -7.488 7.490 1.00 32.32 H new ATOM 0 HG23 THR A 87 30.396 -6.325 7.575 1.00 32.32 H new ATOM 1464 N ALA A 88 30.644 -5.852 4.435 1.00 51.30 N ATOM 1465 CA ALA A 88 31.947 -5.517 3.886 1.00 71.01 C ATOM 1466 C ALA A 88 31.795 -5.157 2.407 1.00 71.14 C ATOM 1467 O ALA A 88 32.596 -4.399 1.863 1.00 5.21 O ATOM 1468 CB ALA A 88 32.909 -6.686 4.106 1.00 42.13 C ATOM 0 H ALA A 88 30.332 -6.804 4.244 1.00 51.30 H new ATOM 0 HA ALA A 88 32.367 -4.649 4.395 1.00 71.01 H new ATOM 0 HB1 ALA A 88 33.887 -6.435 3.694 1.00 42.13 H new ATOM 0 HB2 ALA A 88 33.005 -6.883 5.174 1.00 42.13 H new ATOM 0 HB3 ALA A 88 32.522 -7.574 3.607 1.00 42.13 H new ATOM 1474 N ALA A 89 30.761 -5.718 1.797 1.00 31.22 N ATOM 1475 CA ALA A 89 30.494 -5.466 0.391 1.00 14.14 C ATOM 1476 C ALA A 89 30.495 -3.957 0.139 1.00 11.23 C ATOM 1477 O ALA A 89 29.943 -3.192 0.929 1.00 45.53 O ATOM 1478 CB ALA A 89 29.168 -6.122 -0.002 1.00 44.41 C ATOM 0 H ALA A 89 30.098 -6.346 2.251 1.00 31.22 H new ATOM 0 HA ALA A 89 31.273 -5.905 -0.233 1.00 14.14 H new ATOM 0 HB1 ALA A 89 28.967 -5.933 -1.057 1.00 44.41 H new ATOM 0 HB2 ALA A 89 29.229 -7.197 0.169 1.00 44.41 H new ATOM 0 HB3 ALA A 89 28.362 -5.704 0.601 1.00 44.41 H new ATOM 1484 N LEU A 90 31.121 -3.574 -0.964 1.00 32.01 N ATOM 1485 CA LEU A 90 31.201 -2.170 -1.330 1.00 22.10 C ATOM 1486 C LEU A 90 29.977 -1.795 -2.168 1.00 63.20 C ATOM 1487 O LEU A 90 29.648 -2.482 -3.134 1.00 41.31 O ATOM 1488 CB LEU A 90 32.534 -1.872 -2.020 1.00 11.21 C ATOM 1489 CG LEU A 90 33.183 -0.530 -1.673 1.00 62.51 C ATOM 1490 CD1 LEU A 90 33.418 -0.408 -0.166 1.00 70.33 C ATOM 1491 CD2 LEU A 90 34.471 -0.322 -2.473 1.00 11.34 C ATOM 0 H LEU A 90 31.578 -4.212 -1.616 1.00 32.01 H new ATOM 0 HA LEU A 90 31.182 -1.542 -0.439 1.00 22.10 H new ATOM 0 HB2 LEU A 90 33.236 -2.668 -1.770 1.00 11.21 H new ATOM 0 HB3 LEU A 90 32.379 -1.910 -3.098 1.00 11.21 H new ATOM 0 HG LEU A 90 32.495 0.266 -1.957 1.00 62.51 H new ATOM 0 HD11 LEU A 90 33.880 0.555 0.053 1.00 70.33 H new ATOM 0 HD12 LEU A 90 32.465 -0.481 0.358 1.00 70.33 H new ATOM 0 HD13 LEU A 90 34.077 -1.211 0.166 1.00 70.33 H new ATOM 0 HD21 LEU A 90 34.913 0.639 -2.208 1.00 11.34 H new ATOM 0 HD22 LEU A 90 35.176 -1.121 -2.243 1.00 11.34 H new ATOM 0 HD23 LEU A 90 34.243 -0.335 -3.539 1.00 11.34 H new ATOM 1503 N MET A 91 29.337 -0.707 -1.768 1.00 13.24 N ATOM 1504 CA MET A 91 28.156 -0.232 -2.470 1.00 23.33 C ATOM 1505 C MET A 91 28.463 0.025 -3.946 1.00 41.14 C ATOM 1506 O MET A 91 27.550 0.137 -4.763 1.00 44.04 O ATOM 1507 CB MET A 91 27.660 1.060 -1.818 1.00 51.15 C ATOM 1508 CG MET A 91 27.304 0.831 -0.348 1.00 53.41 C ATOM 1509 SD MET A 91 26.077 -0.457 -0.211 1.00 35.55 S ATOM 1510 CE MET A 91 24.799 0.218 -1.259 1.00 21.34 C ATOM 0 H MET A 91 29.613 -0.140 -0.966 1.00 13.24 H new ATOM 0 HA MET A 91 27.385 -1.000 -2.407 1.00 23.33 H new ATOM 0 HB2 MET A 91 28.429 1.828 -1.894 1.00 51.15 H new ATOM 0 HB3 MET A 91 26.786 1.430 -2.354 1.00 51.15 H new ATOM 0 HG2 MET A 91 28.197 0.555 0.212 1.00 53.41 H new ATOM 0 HG3 MET A 91 26.925 1.754 0.091 1.00 53.41 H new ATOM 0 HE1 MET A 91 23.821 -0.058 -0.864 1.00 21.34 H new ATOM 0 HE2 MET A 91 24.886 1.304 -1.285 1.00 21.34 H new ATOM 0 HE3 MET A 91 24.908 -0.179 -2.268 1.00 21.34 H new ATOM 1520 N SER A 92 29.751 0.111 -4.244 1.00 3.51 N ATOM 1521 CA SER A 92 30.190 0.354 -5.608 1.00 32.41 C ATOM 1522 C SER A 92 30.027 -0.918 -6.443 1.00 53.34 C ATOM 1523 O SER A 92 29.453 -0.881 -7.531 1.00 12.13 O ATOM 1524 CB SER A 92 31.644 0.829 -5.643 1.00 33.23 C ATOM 1525 OG SER A 92 32.556 -0.221 -5.334 1.00 21.40 O ATOM 0 H SER A 92 30.505 0.017 -3.564 1.00 3.51 H new ATOM 0 HA SER A 92 29.569 1.143 -6.032 1.00 32.41 H new ATOM 0 HB2 SER A 92 31.871 1.228 -6.632 1.00 33.23 H new ATOM 0 HB3 SER A 92 31.776 1.645 -4.932 1.00 33.23 H new ATOM 0 HG SER A 92 33.471 0.075 -5.522 1.00 21.40 H new ATOM 1531 N ALA A 93 30.542 -2.012 -5.903 1.00 71.55 N ATOM 1532 CA ALA A 93 30.461 -3.293 -6.586 1.00 13.14 C ATOM 1533 C ALA A 93 29.030 -3.826 -6.492 1.00 14.12 C ATOM 1534 O ALA A 93 28.584 -4.575 -7.360 1.00 23.24 O ATOM 1535 CB ALA A 93 31.483 -4.258 -5.983 1.00 21.42 C ATOM 0 H ALA A 93 31.017 -2.039 -5.001 1.00 71.55 H new ATOM 0 HA ALA A 93 30.702 -3.181 -7.643 1.00 13.14 H new ATOM 0 HB1 ALA A 93 31.423 -5.218 -6.495 1.00 21.42 H new ATOM 0 HB2 ALA A 93 32.485 -3.847 -6.101 1.00 21.42 H new ATOM 0 HB3 ALA A 93 31.270 -4.398 -4.923 1.00 21.42 H new ATOM 1541 N ILE A 94 28.349 -3.418 -5.431 1.00 33.32 N ATOM 1542 CA ILE A 94 26.977 -3.846 -5.212 1.00 42.52 C ATOM 1543 C ILE A 94 26.064 -3.153 -6.226 1.00 2.21 C ATOM 1544 O ILE A 94 25.367 -3.815 -6.993 1.00 65.03 O ATOM 1545 CB ILE A 94 26.569 -3.612 -3.756 1.00 53.24 C ATOM 1546 CG1 ILE A 94 27.421 -4.455 -2.806 1.00 20.03 C ATOM 1547 CG2 ILE A 94 25.072 -3.863 -3.560 1.00 3.32 C ATOM 1548 CD1 ILE A 94 27.025 -5.931 -2.878 1.00 65.20 C ATOM 0 H ILE A 94 28.721 -2.796 -4.714 1.00 33.32 H new ATOM 0 HA ILE A 94 26.881 -4.919 -5.377 1.00 42.52 H new ATOM 0 HB ILE A 94 26.755 -2.566 -3.512 1.00 53.24 H new ATOM 0 HG12 ILE A 94 28.475 -4.345 -3.062 1.00 20.03 H new ATOM 0 HG13 ILE A 94 27.301 -4.092 -1.785 1.00 20.03 H new ATOM 0 HG21 ILE A 94 24.808 -3.690 -2.517 1.00 3.32 H new ATOM 0 HG22 ILE A 94 24.503 -3.185 -4.196 1.00 3.32 H new ATOM 0 HG23 ILE A 94 24.838 -4.893 -3.827 1.00 3.32 H new ATOM 0 HD11 ILE A 94 27.646 -6.508 -2.193 1.00 65.20 H new ATOM 0 HD12 ILE A 94 25.977 -6.041 -2.598 1.00 65.20 H new ATOM 0 HD13 ILE A 94 27.169 -6.297 -3.894 1.00 65.20 H new ATOM 1560 N TYR A 95 26.097 -1.829 -6.196 1.00 5.40 N ATOM 1561 CA TYR A 95 25.282 -1.039 -7.103 1.00 14.23 C ATOM 1562 C TYR A 95 25.636 -1.337 -8.561 1.00 24.52 C ATOM 1563 O TYR A 95 24.860 -1.036 -9.466 1.00 64.33 O ATOM 1564 CB TYR A 95 25.610 0.424 -6.800 1.00 3.33 C ATOM 1565 CG TYR A 95 25.056 1.412 -7.828 1.00 10.42 C ATOM 1566 CD1 TYR A 95 25.590 1.458 -9.100 1.00 25.44 C ATOM 1567 CD2 TYR A 95 24.021 2.259 -7.484 1.00 25.42 C ATOM 1568 CE1 TYR A 95 25.069 2.388 -10.067 1.00 73.53 C ATOM 1569 CE2 TYR A 95 23.500 3.189 -8.451 1.00 73.55 C ATOM 1570 CZ TYR A 95 24.049 3.207 -9.695 1.00 40.15 C ATOM 1571 OH TYR A 95 23.556 4.085 -10.609 1.00 43.45 O ATOM 0 H TYR A 95 26.676 -1.283 -5.558 1.00 5.40 H new ATOM 0 HA TYR A 95 24.225 -1.268 -6.966 1.00 14.23 H new ATOM 0 HB2 TYR A 95 25.214 0.678 -5.817 1.00 3.33 H new ATOM 0 HB3 TYR A 95 26.693 0.539 -6.747 1.00 3.33 H new ATOM 0 HD1 TYR A 95 26.399 0.796 -9.370 1.00 25.44 H new ATOM 0 HD2 TYR A 95 23.602 2.224 -6.489 1.00 25.42 H new ATOM 0 HE1 TYR A 95 25.479 2.434 -11.065 1.00 73.53 H new ATOM 0 HE2 TYR A 95 22.691 3.857 -8.194 1.00 73.55 H new ATOM 0 HH TYR A 95 22.608 3.895 -10.767 1.00 43.45 H new ATOM 1581 N GLN A 96 26.809 -1.926 -8.742 1.00 64.04 N ATOM 1582 CA GLN A 96 27.276 -2.269 -10.075 1.00 4.30 C ATOM 1583 C GLN A 96 26.564 -3.525 -10.580 1.00 63.13 C ATOM 1584 O GLN A 96 26.308 -3.659 -11.776 1.00 21.32 O ATOM 1585 CB GLN A 96 28.795 -2.455 -10.093 1.00 11.32 C ATOM 1586 CG GLN A 96 29.492 -1.215 -10.657 1.00 65.54 C ATOM 1587 CD GLN A 96 30.896 -1.061 -10.069 1.00 44.22 C ATOM 1588 OE1 GLN A 96 31.237 -0.058 -9.464 1.00 40.53 O ATOM 1589 NE2 GLN A 96 31.689 -2.108 -10.280 1.00 5.44 N ATOM 0 H GLN A 96 27.450 -2.174 -7.988 1.00 64.04 H new ATOM 0 HA GLN A 96 27.036 -1.444 -10.746 1.00 4.30 H new ATOM 0 HB2 GLN A 96 29.153 -2.650 -9.082 1.00 11.32 H new ATOM 0 HB3 GLN A 96 29.051 -3.326 -10.696 1.00 11.32 H new ATOM 0 HG2 GLN A 96 29.555 -1.291 -11.743 1.00 65.54 H new ATOM 0 HG3 GLN A 96 28.900 -0.327 -10.433 1.00 65.54 H new ATOM 0 HE21 GLN A 96 31.340 -2.917 -10.795 1.00 5.44 H new ATOM 0 HE22 GLN A 96 32.646 -2.102 -9.927 1.00 5.44 H new ATOM 1598 N GLU A 97 26.265 -4.414 -9.644 1.00 54.43 N ATOM 1599 CA GLU A 97 25.587 -5.654 -9.980 1.00 20.52 C ATOM 1600 C GLU A 97 24.148 -5.631 -9.461 1.00 10.44 C ATOM 1601 O GLU A 97 23.398 -6.585 -9.657 1.00 74.30 O ATOM 1602 CB GLU A 97 26.349 -6.861 -9.429 1.00 33.53 C ATOM 1603 CG GLU A 97 27.567 -7.184 -10.296 1.00 50.14 C ATOM 1604 CD GLU A 97 27.916 -8.672 -10.220 1.00 51.33 C ATOM 1605 OE1 GLU A 97 28.828 -9.057 -9.473 1.00 74.24 O ATOM 1606 OE2 GLU A 97 27.201 -9.439 -10.972 1.00 0.41 O ATOM 0 H GLU A 97 26.480 -4.300 -8.653 1.00 54.43 H new ATOM 0 HA GLU A 97 25.559 -5.747 -11.066 1.00 20.52 H new ATOM 0 HB2 GLU A 97 26.669 -6.658 -8.407 1.00 33.53 H new ATOM 0 HB3 GLU A 97 25.687 -7.726 -9.389 1.00 33.53 H new ATOM 0 HG2 GLU A 97 27.365 -6.907 -11.331 1.00 50.14 H new ATOM 0 HG3 GLU A 97 28.420 -6.590 -9.967 1.00 50.14 H new ATOM 1614 N HIS A 98 23.806 -4.529 -8.808 1.00 63.32 N ATOM 1615 CA HIS A 98 22.470 -4.369 -8.259 1.00 45.44 C ATOM 1616 C HIS A 98 21.830 -3.102 -8.831 1.00 74.42 C ATOM 1617 O HIS A 98 20.966 -2.498 -8.197 1.00 23.33 O ATOM 1618 CB HIS A 98 22.507 -4.376 -6.730 1.00 1.21 C ATOM 1619 CG HIS A 98 22.895 -5.707 -6.131 1.00 41.22 C ATOM 1620 ND1 HIS A 98 21.990 -6.531 -5.486 1.00 73.33 N ATOM 1621 CD2 HIS A 98 24.098 -6.347 -6.087 1.00 65.53 C ATOM 1622 CE1 HIS A 98 22.630 -7.616 -5.076 1.00 4.11 C ATOM 1623 NE2 HIS A 98 23.937 -7.500 -5.449 1.00 2.11 N ATOM 0 H HIS A 98 24.431 -3.739 -8.647 1.00 63.32 H new ATOM 0 HA HIS A 98 21.848 -5.214 -8.553 1.00 45.44 H new ATOM 0 HB2 HIS A 98 23.212 -3.617 -6.390 1.00 1.21 H new ATOM 0 HB3 HIS A 98 21.525 -4.091 -6.352 1.00 1.21 H new ATOM 0 HD2 HIS A 98 25.025 -5.978 -6.501 1.00 65.53 H new ATOM 0 HE1 HIS A 98 22.194 -8.446 -4.541 1.00 4.11 H new ATOM 0 HE2 HIS A 98 24.670 -8.186 -5.268 1.00 2.11 H new ATOM 1631 N LYS A 99 22.277 -2.738 -10.024 1.00 22.22 N ATOM 1632 CA LYS A 99 21.758 -1.555 -10.688 1.00 43.25 C ATOM 1633 C LYS A 99 20.470 -1.916 -11.431 1.00 43.22 C ATOM 1634 O LYS A 99 20.404 -2.945 -12.102 1.00 12.13 O ATOM 1635 CB LYS A 99 22.830 -0.930 -11.584 1.00 1.11 C ATOM 1636 CG LYS A 99 22.195 -0.134 -12.725 1.00 52.55 C ATOM 1637 CD LYS A 99 22.195 -0.942 -14.024 1.00 40.15 C ATOM 1638 CE LYS A 99 23.622 -1.174 -14.525 1.00 71.23 C ATOM 1639 NZ LYS A 99 23.968 -0.192 -15.577 1.00 24.02 N ATOM 0 H LYS A 99 22.993 -3.242 -10.548 1.00 22.22 H new ATOM 0 HA LYS A 99 21.500 -0.789 -9.956 1.00 43.25 H new ATOM 0 HB2 LYS A 99 23.469 -0.276 -10.991 1.00 1.11 H new ATOM 0 HB3 LYS A 99 23.469 -1.713 -11.993 1.00 1.11 H new ATOM 0 HG2 LYS A 99 21.173 0.135 -12.460 1.00 52.55 H new ATOM 0 HG3 LYS A 99 22.742 0.797 -12.872 1.00 52.55 H new ATOM 0 HD2 LYS A 99 21.703 -1.901 -13.860 1.00 40.15 H new ATOM 0 HD3 LYS A 99 21.620 -0.414 -14.785 1.00 40.15 H new ATOM 0 HE2 LYS A 99 24.323 -1.089 -13.695 1.00 71.23 H new ATOM 0 HE3 LYS A 99 23.715 -2.186 -14.919 1.00 71.23 H new ATOM 0 HZ1 LYS A 99 24.940 -0.364 -15.906 1.00 24.02 H new ATOM 0 HZ2 LYS A 99 23.309 -0.292 -16.376 1.00 24.02 H new ATOM 0 HZ3 LYS A 99 23.899 0.771 -15.190 1.00 24.02 H new ATOM 1652 N ASP A 100 19.479 -1.049 -11.287 1.00 11.22 N ATOM 1653 CA ASP A 100 18.197 -1.263 -11.936 1.00 34.33 C ATOM 1654 C ASP A 100 18.192 -0.557 -13.293 1.00 23.30 C ATOM 1655 O ASP A 100 19.176 0.078 -13.669 1.00 51.32 O ATOM 1656 CB ASP A 100 17.053 -0.687 -11.099 1.00 52.32 C ATOM 1657 CG ASP A 100 15.675 -1.288 -11.385 1.00 64.41 C ATOM 1658 OD1 ASP A 100 15.544 -2.497 -11.627 1.00 64.41 O ATOM 1659 OD2 ASP A 100 14.696 -0.449 -11.352 1.00 63.00 O ATOM 0 H ASP A 100 19.538 -0.196 -10.730 1.00 11.22 H new ATOM 0 HA ASP A 100 18.054 -2.337 -12.052 1.00 34.33 H new ATOM 0 HB2 ASP A 100 17.285 -0.834 -10.044 1.00 52.32 H new ATOM 0 HB3 ASP A 100 17.005 0.389 -11.268 1.00 52.32 H new ATOM 1665 N LYS A 101 17.074 -0.693 -13.991 1.00 3.40 N ATOM 1666 CA LYS A 101 16.929 -0.076 -15.298 1.00 40.44 C ATOM 1667 C LYS A 101 16.630 1.415 -15.124 1.00 34.42 C ATOM 1668 O LYS A 101 16.477 2.140 -16.105 1.00 72.15 O ATOM 1669 CB LYS A 101 15.882 -0.820 -16.129 1.00 34.12 C ATOM 1670 CG LYS A 101 16.251 -2.297 -16.281 1.00 22.10 C ATOM 1671 CD LYS A 101 16.762 -2.592 -17.693 1.00 14.11 C ATOM 1672 CE LYS A 101 16.939 -4.096 -17.909 1.00 32.22 C ATOM 1673 NZ LYS A 101 18.175 -4.368 -18.676 1.00 1.43 N ATOM 0 H LYS A 101 16.260 -1.221 -13.676 1.00 3.40 H new ATOM 0 HA LYS A 101 17.860 -0.151 -15.859 1.00 40.44 H new ATOM 0 HB2 LYS A 101 14.905 -0.733 -15.653 1.00 34.12 H new ATOM 0 HB3 LYS A 101 15.799 -0.359 -17.113 1.00 34.12 H new ATOM 0 HG2 LYS A 101 17.016 -2.561 -15.551 1.00 22.10 H new ATOM 0 HG3 LYS A 101 15.380 -2.917 -16.069 1.00 22.10 H new ATOM 0 HD2 LYS A 101 16.061 -2.196 -18.427 1.00 14.11 H new ATOM 0 HD3 LYS A 101 17.713 -2.084 -17.853 1.00 14.11 H new ATOM 0 HE2 LYS A 101 16.982 -4.605 -16.946 1.00 32.22 H new ATOM 0 HE3 LYS A 101 16.077 -4.497 -18.443 1.00 32.22 H new ATOM 0 HZ1 LYS A 101 18.280 -5.394 -18.814 1.00 1.43 H new ATOM 0 HZ2 LYS A 101 18.119 -3.898 -19.602 1.00 1.43 H new ATOM 0 HZ3 LYS A 101 18.996 -4.004 -18.152 1.00 1.43 H new ATOM 1686 N ASP A 102 16.555 1.827 -13.867 1.00 52.20 N ATOM 1687 CA ASP A 102 16.276 3.218 -13.551 1.00 64.12 C ATOM 1688 C ASP A 102 17.580 3.920 -13.165 1.00 61.45 C ATOM 1689 O ASP A 102 17.592 5.126 -12.924 1.00 22.30 O ATOM 1690 CB ASP A 102 15.311 3.332 -12.370 1.00 32.21 C ATOM 1691 CG ASP A 102 13.974 2.611 -12.555 1.00 62.25 C ATOM 1692 OD1 ASP A 102 12.906 3.155 -12.240 1.00 53.45 O ATOM 1693 OD2 ASP A 102 14.060 1.424 -13.053 1.00 74.23 O ATOM 0 H ASP A 102 16.683 1.222 -13.055 1.00 52.20 H new ATOM 0 HA ASP A 102 15.826 3.680 -14.430 1.00 64.12 H new ATOM 0 HB2 ASP A 102 15.801 2.935 -11.481 1.00 32.21 H new ATOM 0 HB3 ASP A 102 15.114 4.387 -12.181 1.00 32.21 H new ATOM 1699 N GLY A 103 18.646 3.134 -13.120 1.00 3.44 N ATOM 1700 CA GLY A 103 19.952 3.665 -12.767 1.00 42.33 C ATOM 1701 C GLY A 103 20.100 3.795 -11.250 1.00 41.40 C ATOM 1702 O GLY A 103 21.150 4.205 -10.758 1.00 43.30 O ATOM 0 H GLY A 103 18.632 2.134 -13.322 1.00 3.44 H new ATOM 0 HA2 GLY A 103 20.732 3.011 -13.157 1.00 42.33 H new ATOM 0 HA3 GLY A 103 20.090 4.640 -13.234 1.00 42.33 H new ATOM 1706 N PHE A 104 19.033 3.439 -10.551 1.00 32.33 N ATOM 1707 CA PHE A 104 19.031 3.510 -9.099 1.00 53.45 C ATOM 1708 C PHE A 104 19.187 2.119 -8.482 1.00 3.55 C ATOM 1709 O PHE A 104 19.309 1.128 -9.199 1.00 22.21 O ATOM 1710 CB PHE A 104 17.678 4.091 -8.682 1.00 42.44 C ATOM 1711 CG PHE A 104 17.737 5.559 -8.252 1.00 62.53 C ATOM 1712 CD1 PHE A 104 18.074 5.880 -6.974 1.00 64.54 C ATOM 1713 CD2 PHE A 104 17.452 6.542 -9.148 1.00 24.42 C ATOM 1714 CE1 PHE A 104 18.129 7.241 -6.575 1.00 40.12 C ATOM 1715 CE2 PHE A 104 17.507 7.903 -8.749 1.00 10.34 C ATOM 1716 CZ PHE A 104 17.844 8.224 -7.471 1.00 2.33 C ATOM 0 H PHE A 104 18.163 3.100 -10.963 1.00 32.33 H new ATOM 0 HA PHE A 104 19.862 4.126 -8.755 1.00 53.45 H new ATOM 0 HB2 PHE A 104 16.981 3.995 -9.514 1.00 42.44 H new ATOM 0 HB3 PHE A 104 17.277 3.498 -7.860 1.00 42.44 H new ATOM 0 HD1 PHE A 104 18.300 5.099 -6.263 1.00 64.54 H new ATOM 0 HD2 PHE A 104 17.184 6.287 -10.163 1.00 24.42 H new ATOM 0 HE1 PHE A 104 18.397 7.496 -5.560 1.00 40.12 H new ATOM 0 HE2 PHE A 104 17.281 8.684 -9.460 1.00 10.34 H new ATOM 0 HZ PHE A 104 17.885 9.260 -7.167 1.00 2.33 H new ATOM 1726 N LEU A 105 19.179 2.091 -7.157 1.00 11.11 N ATOM 1727 CA LEU A 105 19.319 0.838 -6.434 1.00 54.23 C ATOM 1728 C LEU A 105 17.993 0.498 -5.751 1.00 54.00 C ATOM 1729 O LEU A 105 17.183 1.384 -5.483 1.00 51.42 O ATOM 1730 CB LEU A 105 20.507 0.904 -5.473 1.00 32.13 C ATOM 1731 CG LEU A 105 21.779 0.185 -5.928 1.00 53.51 C ATOM 1732 CD1 LEU A 105 21.745 -1.292 -5.533 1.00 23.03 C ATOM 1733 CD2 LEU A 105 22.006 0.372 -7.430 1.00 20.04 C ATOM 0 H LEU A 105 19.078 2.916 -6.565 1.00 11.11 H new ATOM 0 HA LEU A 105 19.541 0.023 -7.123 1.00 54.23 H new ATOM 0 HB2 LEU A 105 20.749 1.952 -5.297 1.00 32.13 H new ATOM 0 HB3 LEU A 105 20.198 0.484 -4.516 1.00 32.13 H new ATOM 0 HG LEU A 105 22.629 0.635 -5.415 1.00 53.51 H new ATOM 0 HD11 LEU A 105 22.661 -1.779 -5.868 1.00 23.03 H new ATOM 0 HD12 LEU A 105 21.664 -1.377 -4.449 1.00 23.03 H new ATOM 0 HD13 LEU A 105 20.886 -1.774 -6.000 1.00 23.03 H new ATOM 0 HD21 LEU A 105 22.916 -0.149 -7.728 1.00 20.04 H new ATOM 0 HD22 LEU A 105 21.158 -0.036 -7.980 1.00 20.04 H new ATOM 0 HD23 LEU A 105 22.106 1.434 -7.653 1.00 20.04 H new ATOM 1745 N TYR A 106 17.812 -0.788 -5.489 1.00 13.14 N ATOM 1746 CA TYR A 106 16.598 -1.256 -4.842 1.00 32.24 C ATOM 1747 C TYR A 106 16.925 -2.127 -3.626 1.00 53.55 C ATOM 1748 O TYR A 106 17.342 -3.274 -3.775 1.00 20.14 O ATOM 1749 CB TYR A 106 15.867 -2.107 -5.882 1.00 20.41 C ATOM 1750 CG TYR A 106 16.798 -2.877 -6.821 1.00 72.10 C ATOM 1751 CD1 TYR A 106 17.570 -2.195 -7.739 1.00 51.22 C ATOM 1752 CD2 TYR A 106 16.865 -4.254 -6.750 1.00 43.21 C ATOM 1753 CE1 TYR A 106 18.446 -2.919 -8.623 1.00 71.21 C ATOM 1754 CE2 TYR A 106 17.741 -4.978 -7.634 1.00 64.30 C ATOM 1755 CZ TYR A 106 18.488 -4.275 -8.527 1.00 24.20 C ATOM 1756 OH TYR A 106 19.316 -4.959 -9.362 1.00 33.42 O ATOM 0 H TYR A 106 18.486 -1.520 -5.713 1.00 13.14 H new ATOM 0 HA TYR A 106 15.999 -0.414 -4.495 1.00 32.24 H new ATOM 0 HB2 TYR A 106 15.220 -2.816 -5.366 1.00 20.41 H new ATOM 0 HB3 TYR A 106 15.221 -1.461 -6.477 1.00 20.41 H new ATOM 0 HD1 TYR A 106 17.517 -1.118 -7.794 1.00 51.22 H new ATOM 0 HD2 TYR A 106 16.261 -4.788 -6.032 1.00 43.21 H new ATOM 0 HE1 TYR A 106 19.056 -2.397 -9.346 1.00 71.21 H new ATOM 0 HE2 TYR A 106 17.804 -6.055 -7.589 1.00 64.30 H new ATOM 0 HH TYR A 106 19.601 -4.372 -10.093 1.00 33.42 H new ATOM 1766 N VAL A 107 16.723 -1.547 -2.452 1.00 72.22 N ATOM 1767 CA VAL A 107 16.991 -2.256 -1.212 1.00 51.42 C ATOM 1768 C VAL A 107 15.807 -2.074 -0.260 1.00 4.32 C ATOM 1769 O VAL A 107 15.009 -1.153 -0.425 1.00 75.24 O ATOM 1770 CB VAL A 107 18.317 -1.781 -0.615 1.00 23.41 C ATOM 1771 CG1 VAL A 107 18.517 -0.282 -0.844 1.00 61.15 C ATOM 1772 CG2 VAL A 107 18.402 -2.124 0.874 1.00 71.42 C ATOM 0 H VAL A 107 16.377 -0.595 -2.333 1.00 72.22 H new ATOM 0 HA VAL A 107 17.098 -3.325 -1.397 1.00 51.42 H new ATOM 0 HB VAL A 107 19.122 -2.308 -1.127 1.00 23.41 H new ATOM 0 HG11 VAL A 107 19.467 0.029 -0.410 1.00 61.15 H new ATOM 0 HG12 VAL A 107 18.522 -0.075 -1.914 1.00 61.15 H new ATOM 0 HG13 VAL A 107 17.704 0.270 -0.372 1.00 61.15 H new ATOM 0 HG21 VAL A 107 19.354 -1.775 1.274 1.00 71.42 H new ATOM 0 HG22 VAL A 107 17.585 -1.637 1.407 1.00 71.42 H new ATOM 0 HG23 VAL A 107 18.328 -3.204 1.003 1.00 71.42 H new ATOM 1782 N THR A 108 15.732 -2.966 0.717 1.00 43.03 N ATOM 1783 CA THR A 108 14.660 -2.915 1.696 1.00 73.53 C ATOM 1784 C THR A 108 15.169 -3.360 3.068 1.00 2.43 C ATOM 1785 O THR A 108 15.728 -4.447 3.205 1.00 44.40 O ATOM 1786 CB THR A 108 13.502 -3.768 1.173 1.00 54.54 C ATOM 1787 OG1 THR A 108 13.317 -3.317 -0.167 1.00 34.24 O ATOM 1788 CG2 THR A 108 12.176 -3.440 1.862 1.00 34.23 C ATOM 0 H THR A 108 16.396 -3.728 0.851 1.00 43.03 H new ATOM 0 HA THR A 108 14.298 -1.896 1.833 1.00 73.53 H new ATOM 0 HB THR A 108 13.735 -4.823 1.316 1.00 54.54 H new ATOM 0 HG1 THR A 108 13.290 -2.337 -0.182 1.00 34.24 H new ATOM 0 HG21 THR A 108 11.388 -4.073 1.454 1.00 34.23 H new ATOM 0 HG22 THR A 108 12.268 -3.620 2.933 1.00 34.23 H new ATOM 0 HG23 THR A 108 11.926 -2.393 1.690 1.00 34.23 H new ATOM 1796 N TYR A 109 14.958 -2.496 4.050 1.00 14.23 N ATOM 1797 CA TYR A 109 15.389 -2.785 5.408 1.00 75.35 C ATOM 1798 C TYR A 109 14.189 -3.063 6.316 1.00 62.40 C ATOM 1799 O TYR A 109 13.151 -2.415 6.196 1.00 41.25 O ATOM 1800 CB TYR A 109 16.105 -1.526 5.900 1.00 21.50 C ATOM 1801 CG TYR A 109 15.180 -0.327 6.113 1.00 51.33 C ATOM 1802 CD1 TYR A 109 14.278 -0.328 7.157 1.00 53.40 C ATOM 1803 CD2 TYR A 109 15.247 0.757 5.260 1.00 25.40 C ATOM 1804 CE1 TYR A 109 13.407 0.802 7.357 1.00 32.31 C ATOM 1805 CE2 TYR A 109 14.377 1.886 5.460 1.00 34.22 C ATOM 1806 CZ TYR A 109 13.499 1.853 6.499 1.00 63.42 C ATOM 1807 OH TYR A 109 12.677 2.919 6.688 1.00 52.12 O ATOM 0 H TYR A 109 14.494 -1.595 3.933 1.00 14.23 H new ATOM 0 HA TYR A 109 16.031 -3.666 5.428 1.00 75.35 H new ATOM 0 HB2 TYR A 109 16.612 -1.752 6.838 1.00 21.50 H new ATOM 0 HB3 TYR A 109 16.876 -1.254 5.179 1.00 21.50 H new ATOM 0 HD1 TYR A 109 14.225 -1.176 7.824 1.00 53.40 H new ATOM 0 HD2 TYR A 109 15.953 0.758 4.442 1.00 25.40 H new ATOM 0 HE1 TYR A 109 12.697 0.814 8.170 1.00 32.31 H new ATOM 0 HE2 TYR A 109 14.420 2.740 4.800 1.00 34.22 H new ATOM 0 HH TYR A 109 12.470 3.008 7.642 1.00 52.12 H new ATOM 1817 N SER A 110 14.372 -4.029 7.205 1.00 41.31 N ATOM 1818 CA SER A 110 13.318 -4.401 8.133 1.00 0.44 C ATOM 1819 C SER A 110 13.914 -4.696 9.511 1.00 4.31 C ATOM 1820 O SER A 110 15.099 -5.009 9.625 1.00 55.51 O ATOM 1821 CB SER A 110 12.537 -5.613 7.623 1.00 54.34 C ATOM 1822 OG SER A 110 12.223 -5.501 6.237 1.00 44.31 O ATOM 0 H SER A 110 15.234 -4.565 7.302 1.00 41.31 H new ATOM 0 HA SER A 110 12.624 -3.564 8.215 1.00 0.44 H new ATOM 0 HB2 SER A 110 13.122 -6.518 7.790 1.00 54.34 H new ATOM 0 HB3 SER A 110 11.616 -5.718 8.196 1.00 54.34 H new ATOM 0 HG SER A 110 11.726 -6.295 5.949 1.00 44.31 H new ATOM 1828 N GLY A 111 13.067 -4.586 10.523 1.00 13.33 N ATOM 1829 CA GLY A 111 13.495 -4.837 11.889 1.00 50.21 C ATOM 1830 C GLY A 111 13.603 -6.338 12.162 1.00 22.33 C ATOM 1831 O GLY A 111 13.916 -6.749 13.279 1.00 45.42 O ATOM 0 H GLY A 111 12.086 -4.326 10.425 1.00 13.33 H new ATOM 0 HA2 GLY A 111 14.460 -4.361 12.065 1.00 50.21 H new ATOM 0 HA3 GLY A 111 12.786 -4.387 12.584 1.00 50.21 H new ATOM 1835 N GLU A 112 13.338 -7.117 11.124 1.00 71.12 N ATOM 1836 CA GLU A 112 13.401 -8.564 11.238 1.00 25.20 C ATOM 1837 C GLU A 112 14.334 -9.140 10.170 1.00 33.53 C ATOM 1838 O GLU A 112 14.571 -8.509 9.142 1.00 1.40 O ATOM 1839 CB GLU A 112 12.006 -9.184 11.140 1.00 41.22 C ATOM 1840 CG GLU A 112 11.999 -10.611 11.693 1.00 44.55 C ATOM 1841 CD GLU A 112 10.609 -10.994 12.204 1.00 42.03 C ATOM 1842 OE1 GLU A 112 10.488 -11.578 13.291 1.00 13.50 O ATOM 1843 OE2 GLU A 112 9.633 -10.663 11.428 1.00 32.41 O ATOM 0 H GLU A 112 13.079 -6.773 10.199 1.00 71.12 H new ATOM 0 HA GLU A 112 13.805 -8.814 12.219 1.00 25.20 H new ATOM 0 HB2 GLU A 112 11.293 -8.573 11.693 1.00 41.22 H new ATOM 0 HB3 GLU A 112 11.680 -9.192 10.100 1.00 41.22 H new ATOM 0 HG2 GLU A 112 12.309 -11.308 10.914 1.00 44.55 H new ATOM 0 HG3 GLU A 112 12.724 -10.695 12.503 1.00 44.55 H new ATOM 1851 N ASN A 113 14.837 -10.334 10.451 1.00 13.40 N ATOM 1852 CA ASN A 113 15.738 -11.002 9.528 1.00 73.05 C ATOM 1853 C ASN A 113 14.935 -11.950 8.635 1.00 74.40 C ATOM 1854 O ASN A 113 15.069 -13.169 8.739 1.00 52.34 O ATOM 1855 CB ASN A 113 16.782 -11.830 10.279 1.00 75.50 C ATOM 1856 CG ASN A 113 17.854 -12.357 9.324 1.00 64.50 C ATOM 1857 OD1 ASN A 113 17.722 -13.409 8.719 1.00 12.23 O ATOM 1858 ND2 ASN A 113 18.922 -11.571 9.222 1.00 11.25 N ATOM 0 H ASN A 113 14.637 -10.855 11.305 1.00 13.40 H new ATOM 0 HA ASN A 113 16.242 -10.238 8.936 1.00 73.05 H new ATOM 0 HB2 ASN A 113 17.248 -11.220 11.053 1.00 75.50 H new ATOM 0 HB3 ASN A 113 16.295 -12.666 10.782 1.00 75.50 H new ATOM 0 HD21 ASN A 113 19.694 -11.836 8.610 1.00 11.25 H new ATOM 0 HD22 ASN A 113 18.969 -10.703 9.756 1.00 11.25 H new ATOM 1865 N THR A 114 14.118 -11.356 7.778 1.00 14.43 N ATOM 1866 CA THR A 114 13.293 -12.132 6.868 1.00 31.12 C ATOM 1867 C THR A 114 13.457 -11.624 5.435 1.00 51.25 C ATOM 1868 O THR A 114 13.687 -10.436 5.216 1.00 44.51 O ATOM 1869 CB THR A 114 11.849 -12.074 7.372 1.00 65.30 C ATOM 1870 OG1 THR A 114 11.692 -10.731 7.821 1.00 71.04 O ATOM 1871 CG2 THR A 114 11.635 -12.916 8.632 1.00 52.51 C ATOM 0 H THR A 114 14.010 -10.345 7.695 1.00 14.43 H new ATOM 0 HA THR A 114 13.603 -13.177 6.847 1.00 31.12 H new ATOM 0 HB THR A 114 11.176 -12.418 6.587 1.00 65.30 H new ATOM 0 HG1 THR A 114 10.782 -10.605 8.163 1.00 71.04 H new ATOM 0 HG21 THR A 114 10.595 -12.840 8.948 1.00 52.51 H new ATOM 0 HG22 THR A 114 11.874 -13.958 8.418 1.00 52.51 H new ATOM 0 HG23 THR A 114 12.283 -12.551 9.428 1.00 52.51 H new ATOM 1879 N PHE A 115 13.332 -12.549 4.495 1.00 73.33 N ATOM 1880 CA PHE A 115 13.463 -12.210 3.088 1.00 42.11 C ATOM 1881 C PHE A 115 12.110 -11.819 2.489 1.00 23.33 C ATOM 1882 O PHE A 115 12.032 -11.426 1.326 1.00 23.54 O ATOM 1883 CB PHE A 115 13.982 -13.459 2.373 1.00 23.01 C ATOM 1884 CG PHE A 115 15.156 -14.139 3.082 1.00 53.14 C ATOM 1885 CD1 PHE A 115 14.921 -15.066 4.048 1.00 24.42 C ATOM 1886 CD2 PHE A 115 16.433 -13.816 2.745 1.00 40.43 C ATOM 1887 CE1 PHE A 115 16.010 -15.697 4.706 1.00 64.33 C ATOM 1888 CE2 PHE A 115 17.522 -14.446 3.402 1.00 21.52 C ATOM 1889 CZ PHE A 115 17.288 -15.374 4.369 1.00 72.01 C ATOM 0 H PHE A 115 13.141 -13.534 4.680 1.00 73.33 H new ATOM 0 HA PHE A 115 14.140 -11.364 2.971 1.00 42.11 H new ATOM 0 HB2 PHE A 115 13.166 -14.175 2.275 1.00 23.01 H new ATOM 0 HB3 PHE A 115 14.289 -13.186 1.363 1.00 23.01 H new ATOM 0 HD1 PHE A 115 13.906 -15.323 4.315 1.00 24.42 H new ATOM 0 HD2 PHE A 115 16.619 -13.080 1.977 1.00 40.43 H new ATOM 0 HE1 PHE A 115 15.824 -16.433 5.474 1.00 64.33 H new ATOM 0 HE2 PHE A 115 18.536 -14.189 3.134 1.00 21.52 H new ATOM 0 HZ PHE A 115 18.116 -15.854 4.869 1.00 72.01 H new ATOM 1899 N GLY A 116 11.078 -11.941 3.311 1.00 23.02 N ATOM 1900 CA GLY A 116 9.733 -11.606 2.878 1.00 54.45 C ATOM 1901 C GLY A 116 8.871 -12.863 2.741 1.00 43.22 C ATOM 1902 O GLY A 116 8.904 -13.739 3.604 1.00 52.33 O ATOM 0 H GLY A 116 11.147 -12.267 4.275 1.00 23.02 H new ATOM 0 HA2 GLY A 116 9.276 -10.924 3.595 1.00 54.45 H new ATOM 0 HA3 GLY A 116 9.775 -11.083 1.922 1.00 54.45 H new TER 1906 GLY A 116