USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 706 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 Single : A 1 GLY N :NH3+ -105:sc= 0.0506 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -45:sc= 0.92 USER MOD Single : A 15 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.8) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 144:sc= -4.41! (180deg=-8.32!) USER MOD Single : A 31 THR OG1 : rot 78:sc= 0.757 USER MOD Single : A 36 THR OG1 : rot 64:sc= 1.28 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -101:sc= 0.0501 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0348 USER MOD Single : B 3 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot -43:sc= 0.929 USER MOD Single : B 15 ASN : amide:sc= -0.71 K(o=-0.71,f=-1.7) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl 144:sc= -3.8! (180deg=-8.37!) USER MOD Single : B 31 THR OG1 : rot 78:sc= 0.886 USER MOD Single : B 36 THR OG1 : rot 92:sc= 1.22 USER MOD Single : B 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00505) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.644 -19.721 6.410 1.00 11.25 N ATOM 2 CA GLY A 1 -3.497 -18.901 6.755 1.00 14.02 C ATOM 3 C GLY A 1 -3.802 -17.919 7.870 1.00 75.34 C ATOM 4 O GLY A 1 -4.962 -17.597 8.123 1.00 54.04 O ATOM 0 H1 GLY A 1 -4.513 -20.680 6.791 1.00 11.25 H new ATOM 0 H2 GLY A 1 -5.505 -19.302 6.816 1.00 11.25 H new ATOM 0 H3 GLY A 1 -4.737 -19.770 5.375 1.00 11.25 H new ATOM 0 HA2 GLY A 1 -2.671 -19.545 7.058 1.00 14.02 H new ATOM 0 HA3 GLY A 1 -3.167 -18.353 5.872 1.00 14.02 H new ATOM 8 N SER A 2 -2.756 -17.443 8.538 1.00 41.23 N ATOM 9 CA SER A 2 -2.917 -16.496 9.636 1.00 62.12 C ATOM 10 C SER A 2 -2.616 -15.073 9.174 1.00 34.23 C ATOM 11 O SER A 2 -1.517 -14.562 9.383 1.00 74.10 O ATOM 12 CB SER A 2 -1.998 -16.872 10.800 1.00 34.41 C ATOM 13 OG SER A 2 -0.779 -17.423 10.330 1.00 64.14 O ATOM 0 H SER A 2 -1.789 -17.697 8.338 1.00 41.23 H new ATOM 0 HA SER A 2 -3.953 -16.539 9.972 1.00 62.12 H new ATOM 0 HB2 SER A 2 -1.792 -15.989 11.405 1.00 34.41 H new ATOM 0 HB3 SER A 2 -2.501 -17.591 11.447 1.00 34.41 H new ATOM 0 HG SER A 2 -0.209 -17.653 11.093 1.00 64.14 H new ATOM 19 N GLN A 3 -3.603 -14.441 8.547 1.00 64.11 N ATOM 20 CA GLN A 3 -3.445 -13.078 8.054 1.00 25.35 C ATOM 21 C GLN A 3 -3.225 -12.105 9.208 1.00 30.11 C ATOM 22 O GLN A 3 -2.575 -11.071 9.047 1.00 63.41 O ATOM 23 CB GLN A 3 -4.674 -12.660 7.245 1.00 12.24 C ATOM 24 CG GLN A 3 -4.334 -11.909 5.968 1.00 43.55 C ATOM 25 CD GLN A 3 -4.092 -12.836 4.793 1.00 25.24 C ATOM 26 OE1 GLN A 3 -3.684 -13.984 4.967 1.00 75.43 O ATOM 27 NE2 GLN A 3 -4.344 -12.341 3.587 1.00 11.53 N ATOM 0 H GLN A 3 -4.520 -14.851 8.369 1.00 64.11 H new ATOM 0 HA GLN A 3 -2.568 -13.051 7.408 1.00 25.35 H new ATOM 0 HB2 GLN A 3 -5.251 -13.549 6.991 1.00 12.24 H new ATOM 0 HB3 GLN A 3 -5.312 -12.032 7.867 1.00 12.24 H new ATOM 0 HG2 GLN A 3 -5.148 -11.226 5.725 1.00 43.55 H new ATOM 0 HG3 GLN A 3 -3.445 -11.300 6.135 1.00 43.55 H new ATOM 0 HE21 GLN A 3 -4.681 -11.383 3.489 1.00 11.53 H new ATOM 0 HE22 GLN A 3 -4.200 -12.918 2.759 1.00 11.53 H new ATOM 36 N LYS A 4 -3.770 -12.442 10.372 1.00 34.01 N ATOM 37 CA LYS A 4 -3.635 -11.600 11.554 1.00 71.41 C ATOM 38 C LYS A 4 -2.195 -11.597 12.057 1.00 4.12 C ATOM 39 O LYS A 4 -1.702 -10.585 12.556 1.00 62.12 O ATOM 40 CB LYS A 4 -4.572 -12.085 12.662 1.00 53.43 C ATOM 41 CG LYS A 4 -4.333 -13.527 13.074 1.00 71.34 C ATOM 42 CD LYS A 4 -5.599 -14.170 13.614 1.00 70.40 C ATOM 43 CE LYS A 4 -5.392 -15.648 13.908 1.00 3.43 C ATOM 44 NZ LYS A 4 -6.578 -16.252 14.575 1.00 50.43 N1+ ATOM 0 H LYS A 4 -4.310 -13.294 10.522 1.00 34.01 H new ATOM 0 HA LYS A 4 -3.908 -10.582 11.277 1.00 71.41 H new ATOM 0 HB2 LYS A 4 -4.452 -11.442 13.534 1.00 53.43 H new ATOM 0 HB3 LYS A 4 -5.604 -11.978 12.326 1.00 53.43 H new ATOM 0 HG2 LYS A 4 -3.972 -14.096 12.217 1.00 71.34 H new ATOM 0 HG3 LYS A 4 -3.552 -13.565 13.834 1.00 71.34 H new ATOM 0 HD2 LYS A 4 -5.909 -13.657 14.524 1.00 70.40 H new ATOM 0 HD3 LYS A 4 -6.406 -14.051 12.891 1.00 70.40 H new ATOM 0 HE2 LYS A 4 -5.189 -16.178 12.978 1.00 3.43 H new ATOM 0 HE3 LYS A 4 -4.515 -15.773 14.544 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 -6.397 -17.260 14.758 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 -6.757 -15.763 15.475 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 -7.410 -16.156 13.958 1.00 50.43 H new ATOM 58 N LEU A 5 -1.524 -12.736 11.921 1.00 55.13 N ATOM 59 CA LEU A 5 -0.138 -12.864 12.360 1.00 10.52 C ATOM 60 C LEU A 5 0.765 -11.895 11.605 1.00 65.40 C ATOM 61 O LEU A 5 1.473 -11.090 12.209 1.00 20.14 O ATOM 62 CB LEU A 5 0.351 -14.299 12.157 1.00 12.44 C ATOM 63 CG LEU A 5 1.782 -14.592 12.611 1.00 23.50 C ATOM 64 CD1 LEU A 5 1.855 -14.666 14.128 1.00 23.30 C ATOM 65 CD2 LEU A 5 2.285 -15.884 11.987 1.00 0.21 C ATOM 0 H LEU A 5 -1.917 -13.583 11.511 1.00 55.13 H new ATOM 0 HA LEU A 5 -0.095 -12.618 13.421 1.00 10.52 H new ATOM 0 HB2 LEU A 5 -0.322 -14.970 12.690 1.00 12.44 H new ATOM 0 HB3 LEU A 5 0.270 -14.542 11.098 1.00 12.44 H new ATOM 0 HG LEU A 5 2.424 -13.777 12.276 1.00 23.50 H new ATOM 0 HD11 LEU A 5 2.880 -14.875 14.433 1.00 23.30 H new ATOM 0 HD12 LEU A 5 1.536 -13.715 14.554 1.00 23.30 H new ATOM 0 HD13 LEU A 5 1.201 -15.461 14.485 1.00 23.30 H new ATOM 0 HD21 LEU A 5 3.305 -16.077 12.321 1.00 0.21 H new ATOM 0 HD22 LEU A 5 1.641 -16.710 12.291 1.00 0.21 H new ATOM 0 HD23 LEU A 5 2.270 -15.793 10.901 1.00 0.21 H new ATOM 77 N VAL A 6 0.733 -11.977 10.278 1.00 34.42 N ATOM 78 CA VAL A 6 1.548 -11.105 9.439 1.00 12.01 C ATOM 79 C VAL A 6 1.072 -9.659 9.526 1.00 52.44 C ATOM 80 O VAL A 6 1.865 -8.726 9.403 1.00 23.24 O ATOM 81 CB VAL A 6 1.518 -11.556 7.967 1.00 34.54 C ATOM 82 CG1 VAL A 6 2.138 -12.937 7.818 1.00 2.52 C ATOM 83 CG2 VAL A 6 0.093 -11.542 7.434 1.00 33.41 C ATOM 0 H VAL A 6 0.152 -12.637 9.761 1.00 34.42 H new ATOM 0 HA VAL A 6 2.570 -11.171 9.811 1.00 12.01 H new ATOM 0 HB VAL A 6 2.109 -10.854 7.379 1.00 34.54 H new ATOM 0 HG11 VAL A 6 2.108 -13.238 6.771 1.00 2.52 H new ATOM 0 HG12 VAL A 6 3.173 -12.910 8.158 1.00 2.52 H new ATOM 0 HG13 VAL A 6 1.578 -13.654 8.418 1.00 2.52 H new ATOM 0 HG21 VAL A 6 0.091 -11.863 6.392 1.00 33.41 H new ATOM 0 HG22 VAL A 6 -0.523 -12.220 8.024 1.00 33.41 H new ATOM 0 HG23 VAL A 6 -0.311 -10.532 7.503 1.00 33.41 H new ATOM 93 N PHE A 7 -0.227 -9.481 9.740 1.00 61.44 N ATOM 94 CA PHE A 7 -0.808 -8.148 9.843 1.00 32.21 C ATOM 95 C PHE A 7 -0.343 -7.448 11.117 1.00 61.02 C ATOM 96 O PHE A 7 -0.217 -6.224 11.156 1.00 45.44 O ATOM 97 CB PHE A 7 -2.337 -8.232 9.824 1.00 73.41 C ATOM 98 CG PHE A 7 -3.012 -6.894 9.922 1.00 71.22 C ATOM 99 CD1 PHE A 7 -3.278 -6.152 8.782 1.00 62.31 C ATOM 100 CD2 PHE A 7 -3.381 -6.378 11.154 1.00 4.31 C ATOM 101 CE1 PHE A 7 -3.899 -4.920 8.870 1.00 73.50 C ATOM 102 CE2 PHE A 7 -4.004 -5.148 11.247 1.00 31.22 C ATOM 103 CZ PHE A 7 -4.262 -4.418 10.104 1.00 75.42 C ATOM 0 H PHE A 7 -0.897 -10.243 9.845 1.00 61.44 H new ATOM 0 HA PHE A 7 -0.471 -7.565 8.985 1.00 32.21 H new ATOM 0 HB2 PHE A 7 -2.654 -8.724 8.904 1.00 73.41 H new ATOM 0 HB3 PHE A 7 -2.669 -8.859 10.652 1.00 73.41 H new ATOM 0 HD1 PHE A 7 -2.997 -6.541 7.814 1.00 62.31 H new ATOM 0 HD2 PHE A 7 -3.179 -6.944 12.052 1.00 4.31 H new ATOM 0 HE1 PHE A 7 -4.100 -4.351 7.974 1.00 73.50 H new ATOM 0 HE2 PHE A 7 -4.289 -4.758 12.213 1.00 31.22 H new ATOM 0 HZ PHE A 7 -4.747 -3.456 10.175 1.00 75.42 H new ATOM 113 N PHE A 8 -0.090 -8.235 12.158 1.00 13.13 N ATOM 114 CA PHE A 8 0.361 -7.692 13.434 1.00 30.33 C ATOM 115 C PHE A 8 1.820 -7.254 13.355 1.00 54.30 C ATOM 116 O PHE A 8 2.233 -6.311 14.029 1.00 44.05 O ATOM 117 CB PHE A 8 0.189 -8.732 14.543 1.00 30.20 C ATOM 118 CG PHE A 8 0.531 -8.212 15.910 1.00 54.04 C ATOM 119 CD1 PHE A 8 -0.372 -7.436 16.618 1.00 52.31 C ATOM 120 CD2 PHE A 8 1.758 -8.500 16.488 1.00 24.35 C ATOM 121 CE1 PHE A 8 -0.060 -6.956 17.876 1.00 55.13 C ATOM 122 CE2 PHE A 8 2.076 -8.024 17.745 1.00 75.13 C ATOM 123 CZ PHE A 8 1.166 -7.250 18.440 1.00 21.42 C ATOM 0 H PHE A 8 -0.190 -9.250 12.143 1.00 13.13 H new ATOM 0 HA PHE A 8 -0.249 -6.819 13.665 1.00 30.33 H new ATOM 0 HB2 PHE A 8 -0.843 -9.083 14.544 1.00 30.20 H new ATOM 0 HB3 PHE A 8 0.819 -9.594 14.323 1.00 30.20 H new ATOM 0 HD1 PHE A 8 -1.332 -7.203 16.181 1.00 52.31 H new ATOM 0 HD2 PHE A 8 2.473 -9.104 15.949 1.00 24.35 H new ATOM 0 HE1 PHE A 8 -0.774 -6.352 18.417 1.00 55.13 H new ATOM 0 HE2 PHE A 8 3.035 -8.256 18.184 1.00 75.13 H new ATOM 0 HZ PHE A 8 1.413 -6.876 19.422 1.00 21.42 H new ATOM 133 N ALA A 9 2.595 -7.945 12.526 1.00 21.40 N ATOM 134 CA ALA A 9 4.007 -7.627 12.355 1.00 62.33 C ATOM 135 C ALA A 9 4.187 -6.263 11.698 1.00 0.01 C ATOM 136 O ALA A 9 5.032 -5.471 12.114 1.00 3.14 O ATOM 137 CB ALA A 9 4.696 -8.706 11.534 1.00 22.01 C ATOM 0 H ALA A 9 2.268 -8.729 11.962 1.00 21.40 H new ATOM 0 HA ALA A 9 4.467 -7.589 13.342 1.00 62.33 H new ATOM 0 HB1 ALA A 9 5.750 -8.455 11.415 1.00 22.01 H new ATOM 0 HB2 ALA A 9 4.607 -9.665 12.045 1.00 22.01 H new ATOM 0 HB3 ALA A 9 4.226 -8.773 10.553 1.00 22.01 H new ATOM 143 N GLU A 10 3.389 -5.998 10.669 1.00 15.33 N ATOM 144 CA GLU A 10 3.462 -4.729 9.953 1.00 73.03 C ATOM 145 C GLU A 10 3.162 -3.560 10.887 1.00 31.35 C ATOM 146 O GLU A 10 3.650 -2.447 10.682 1.00 53.40 O ATOM 147 CB GLU A 10 2.482 -4.723 8.779 1.00 4.11 C ATOM 148 CG GLU A 10 3.126 -5.066 7.447 1.00 14.13 C ATOM 149 CD GLU A 10 2.415 -4.422 6.271 1.00 72.25 C ATOM 150 OE1 GLU A 10 2.490 -3.182 6.142 1.00 34.34 O ATOM 151 OE2 GLU A 10 1.786 -5.157 5.482 1.00 53.30 O1- ATOM 0 H GLU A 10 2.685 -6.644 10.312 1.00 15.33 H new ATOM 0 HA GLU A 10 4.476 -4.615 9.570 1.00 73.03 H new ATOM 0 HB2 GLU A 10 1.682 -5.436 8.981 1.00 4.11 H new ATOM 0 HB3 GLU A 10 2.021 -3.738 8.707 1.00 4.11 H new ATOM 0 HG2 GLU A 10 4.167 -4.744 7.458 1.00 14.13 H new ATOM 0 HG3 GLU A 10 3.128 -6.148 7.317 1.00 14.13 H new ATOM 158 N ASP A 11 2.358 -3.819 11.911 1.00 31.13 N ATOM 159 CA ASP A 11 1.993 -2.789 12.877 1.00 4.32 C ATOM 160 C ASP A 11 3.236 -2.172 13.509 1.00 44.41 C ATOM 161 O ASP A 11 3.350 -0.951 13.616 1.00 63.24 O ATOM 162 CB ASP A 11 1.091 -3.376 13.963 1.00 22.41 C ATOM 163 CG ASP A 11 -0.077 -2.468 14.298 1.00 42.04 C ATOM 164 OD1 ASP A 11 0.163 -1.287 14.620 1.00 35.13 O ATOM 165 OD2 ASP A 11 -1.232 -2.941 14.238 1.00 31.23 O1- ATOM 0 H ASP A 11 1.946 -4.734 12.094 1.00 31.13 H new ATOM 0 HA ASP A 11 1.450 -2.006 12.349 1.00 4.32 H new ATOM 0 HB2 ASP A 11 0.713 -4.344 13.633 1.00 22.41 H new ATOM 0 HB3 ASP A 11 1.679 -3.554 14.863 1.00 22.41 H new ATOM 170 N VAL A 12 4.166 -3.024 13.929 1.00 72.41 N ATOM 171 CA VAL A 12 5.401 -2.564 14.552 1.00 13.34 C ATOM 172 C VAL A 12 6.479 -2.302 13.505 1.00 74.41 C ATOM 173 O VAL A 12 7.390 -1.505 13.724 1.00 11.12 O ATOM 174 CB VAL A 12 5.930 -3.587 15.573 1.00 54.10 C ATOM 175 CG1 VAL A 12 6.215 -4.920 14.896 1.00 70.11 C ATOM 176 CG2 VAL A 12 7.178 -3.055 16.263 1.00 40.34 C ATOM 0 H VAL A 12 4.087 -4.038 13.849 1.00 72.41 H new ATOM 0 HA VAL A 12 5.167 -1.634 15.070 1.00 13.34 H new ATOM 0 HB VAL A 12 5.163 -3.747 16.330 1.00 54.10 H new ATOM 0 HG11 VAL A 12 6.588 -5.630 15.634 1.00 70.11 H new ATOM 0 HG12 VAL A 12 5.297 -5.306 14.452 1.00 70.11 H new ATOM 0 HG13 VAL A 12 6.964 -4.779 14.117 1.00 70.11 H new ATOM 0 HG21 VAL A 12 7.538 -3.791 16.981 1.00 40.34 H new ATOM 0 HG22 VAL A 12 7.952 -2.865 15.519 1.00 40.34 H new ATOM 0 HG23 VAL A 12 6.939 -2.127 16.783 1.00 40.34 H new ATOM 186 N GLY A 13 6.367 -2.978 12.365 1.00 32.11 N ATOM 187 CA GLY A 13 7.339 -2.803 11.301 1.00 10.34 C ATOM 188 C GLY A 13 8.685 -3.414 11.640 1.00 31.51 C ATOM 189 O GLY A 13 9.710 -2.734 11.601 1.00 53.01 O ATOM 0 H GLY A 13 5.621 -3.643 12.160 1.00 32.11 H new ATOM 0 HA2 GLY A 13 6.957 -3.256 10.386 1.00 10.34 H new ATOM 0 HA3 GLY A 13 7.466 -1.739 11.100 1.00 10.34 H new ATOM 193 N SER A 14 8.682 -4.701 11.975 1.00 64.01 N ATOM 194 CA SER A 14 9.911 -5.402 12.327 1.00 72.24 C ATOM 195 C SER A 14 10.196 -6.529 11.339 1.00 14.33 C ATOM 196 O SER A 14 10.935 -7.464 11.644 1.00 12.44 O ATOM 197 CB SER A 14 9.814 -5.964 13.747 1.00 33.22 C ATOM 198 OG SER A 14 11.035 -6.563 14.143 1.00 4.23 O ATOM 0 H SER A 14 7.842 -5.279 12.010 1.00 64.01 H new ATOM 0 HA SER A 14 10.733 -4.688 12.283 1.00 72.24 H new ATOM 0 HB2 SER A 14 9.556 -5.164 14.441 1.00 33.22 H new ATOM 0 HB3 SER A 14 9.012 -6.700 13.796 1.00 33.22 H new ATOM 0 HG SER A 14 11.371 -7.130 13.418 1.00 4.23 H new ATOM 204 N ASN A 15 9.603 -6.433 10.154 1.00 13.04 N ATOM 205 CA ASN A 15 9.791 -7.444 9.121 1.00 44.44 C ATOM 206 C ASN A 15 10.648 -6.904 7.980 1.00 23.11 C ATOM 207 O ASN A 15 11.323 -7.661 7.283 1.00 15.45 O ATOM 208 CB ASN A 15 8.437 -7.909 8.580 1.00 40.44 C ATOM 209 CG ASN A 15 7.456 -6.764 8.414 1.00 52.54 C ATOM 210 OD1 ASN A 15 7.703 -5.827 7.654 1.00 71.43 O ATOM 211 ND2 ASN A 15 6.338 -6.835 9.124 1.00 61.13 N ATOM 0 H ASN A 15 8.988 -5.665 9.885 1.00 13.04 H new ATOM 0 HA ASN A 15 10.307 -8.293 9.569 1.00 44.44 H new ATOM 0 HB2 ASN A 15 8.583 -8.401 7.618 1.00 40.44 H new ATOM 0 HB3 ASN A 15 8.014 -8.651 9.257 1.00 40.44 H new ATOM 0 HD21 ASN A 15 5.641 -6.094 9.053 1.00 61.13 H new ATOM 0 HD22 ASN A 15 6.176 -7.631 9.741 1.00 61.13 H new ATOM 218 N LYS A 16 10.617 -5.588 7.796 1.00 61.12 N ATOM 219 CA LYS A 16 11.392 -4.944 6.742 1.00 50.41 C ATOM 220 C LYS A 16 12.865 -5.330 6.837 1.00 20.34 C ATOM 221 O LYS A 16 13.536 -5.508 5.821 1.00 44.32 O ATOM 222 CB LYS A 16 11.245 -3.423 6.830 1.00 21.41 C ATOM 223 CG LYS A 16 11.644 -2.850 8.179 1.00 24.12 C ATOM 224 CD LYS A 16 13.092 -2.389 8.183 1.00 0.21 C ATOM 225 CE LYS A 16 13.206 -0.916 8.541 1.00 50.40 C ATOM 226 NZ LYS A 16 12.800 -0.038 7.410 1.00 35.21 N1+ ATOM 0 H LYS A 16 10.063 -4.947 8.364 1.00 61.12 H new ATOM 0 HA LYS A 16 11.007 -5.285 5.781 1.00 50.41 H new ATOM 0 HB2 LYS A 16 11.856 -2.962 6.054 1.00 21.41 H new ATOM 0 HB3 LYS A 16 10.209 -3.154 6.622 1.00 21.41 H new ATOM 0 HG2 LYS A 16 10.993 -2.011 8.426 1.00 24.12 H new ATOM 0 HG3 LYS A 16 11.499 -3.604 8.953 1.00 24.12 H new ATOM 0 HD2 LYS A 16 13.662 -2.983 8.897 1.00 0.21 H new ATOM 0 HD3 LYS A 16 13.533 -2.561 7.201 1.00 0.21 H new ATOM 0 HE2 LYS A 16 12.581 -0.704 9.408 1.00 50.40 H new ATOM 0 HE3 LYS A 16 14.234 -0.690 8.826 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 12.892 0.958 7.694 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 13.413 -0.222 6.590 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 11.811 -0.236 7.155 1.00 35.21 H new ATOM 240 N GLY A 17 13.361 -5.458 8.063 1.00 3.15 N ATOM 241 CA GLY A 17 14.751 -5.824 8.267 1.00 12.24 C ATOM 242 C GLY A 17 15.134 -7.087 7.522 1.00 32.33 C ATOM 243 O GLY A 17 16.217 -7.171 6.946 1.00 73.32 O ATOM 0 H GLY A 17 12.826 -5.315 8.919 1.00 3.15 H new ATOM 0 HA2 GLY A 17 15.391 -5.005 7.939 1.00 12.24 H new ATOM 0 HA3 GLY A 17 14.934 -5.965 9.332 1.00 12.24 H new ATOM 247 N ALA A 18 14.243 -8.073 7.535 1.00 53.03 N ATOM 248 CA ALA A 18 14.492 -9.337 6.854 1.00 61.03 C ATOM 249 C ALA A 18 14.613 -9.136 5.347 1.00 74.44 C ATOM 250 O ALA A 18 15.594 -9.555 4.733 1.00 34.51 O ATOM 251 CB ALA A 18 13.386 -10.333 7.168 1.00 63.03 C ATOM 0 H ALA A 18 13.342 -8.020 8.010 1.00 53.03 H new ATOM 0 HA ALA A 18 15.439 -9.735 7.218 1.00 61.03 H new ATOM 0 HB1 ALA A 18 13.585 -11.272 6.653 1.00 63.03 H new ATOM 0 HB2 ALA A 18 13.350 -10.510 8.243 1.00 63.03 H new ATOM 0 HB3 ALA A 18 12.429 -9.932 6.834 1.00 63.03 H new ATOM 257 N ILE A 19 13.611 -8.493 4.759 1.00 42.43 N ATOM 258 CA ILE A 19 13.605 -8.235 3.325 1.00 61.23 C ATOM 259 C ILE A 19 14.868 -7.498 2.894 1.00 4.34 C ATOM 260 O ILE A 19 15.626 -7.981 2.051 1.00 31.10 O ATOM 261 CB ILE A 19 12.374 -7.411 2.904 1.00 5.04 C ATOM 262 CG1 ILE A 19 11.088 -8.126 3.322 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.388 -7.168 1.402 1.00 12.50 C ATOM 264 CD1 ILE A 19 9.839 -7.301 3.105 1.00 34.32 C ATOM 0 H ILE A 19 12.792 -8.141 5.254 1.00 42.43 H new ATOM 0 HA ILE A 19 13.567 -9.206 2.831 1.00 61.23 H new ATOM 0 HB ILE A 19 12.411 -6.446 3.409 1.00 5.04 H new ATOM 0 HG12 ILE A 19 11.001 -9.057 2.761 1.00 33.14 H new ATOM 0 HG13 ILE A 19 11.158 -8.394 4.376 1.00 33.14 H new ATOM 0 HG21 ILE A 19 11.512 -6.584 1.120 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.291 -6.621 1.130 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.371 -8.124 0.879 1.00 12.50 H new ATOM 0 HD11 ILE A 19 8.966 -7.871 3.423 1.00 34.32 H new ATOM 0 HD12 ILE A 19 9.904 -6.382 3.687 1.00 34.32 H new ATOM 0 HD13 ILE A 19 9.745 -7.054 2.047 1.00 34.32 H new ATOM 276 N ILE A 20 15.090 -6.326 3.479 1.00 30.40 N ATOM 277 CA ILE A 20 16.263 -5.522 3.158 1.00 44.42 C ATOM 278 C ILE A 20 17.548 -6.321 3.355 1.00 63.42 C ATOM 279 O ILE A 20 18.482 -6.220 2.560 1.00 73.05 O ATOM 280 CB ILE A 20 16.327 -4.248 4.021 1.00 2.11 C ATOM 281 CG1 ILE A 20 15.082 -3.388 3.793 1.00 52.20 C ATOM 282 CG2 ILE A 20 17.589 -3.458 3.707 1.00 31.43 C ATOM 283 CD1 ILE A 20 14.915 -2.935 2.360 1.00 64.21 C ATOM 0 H ILE A 20 14.473 -5.912 4.178 1.00 30.40 H new ATOM 0 HA ILE A 20 16.172 -5.236 2.110 1.00 44.42 H new ATOM 0 HB ILE A 20 16.357 -4.539 5.071 1.00 2.11 H new ATOM 0 HG12 ILE A 20 14.200 -3.954 4.092 1.00 52.20 H new ATOM 0 HG13 ILE A 20 15.132 -2.512 4.439 1.00 52.20 H new ATOM 0 HG21 ILE A 20 17.620 -2.561 4.325 1.00 31.43 H new ATOM 0 HG22 ILE A 20 18.465 -4.073 3.916 1.00 31.43 H new ATOM 0 HG23 ILE A 20 17.588 -3.174 2.655 1.00 31.43 H new ATOM 0 HD11 ILE A 20 14.012 -2.330 2.272 1.00 64.21 H new ATOM 0 HD12 ILE A 20 15.780 -2.342 2.063 1.00 64.21 H new ATOM 0 HD13 ILE A 20 14.832 -3.806 1.710 1.00 64.21 H new ATOM 295 N GLY A 21 17.586 -7.116 4.419 1.00 22.54 N ATOM 296 CA GLY A 21 18.760 -7.923 4.701 1.00 44.04 C ATOM 297 C GLY A 21 18.953 -9.036 3.691 1.00 53.33 C ATOM 298 O GLY A 21 20.077 -9.481 3.455 1.00 64.43 O ATOM 0 H GLY A 21 16.825 -7.216 5.091 1.00 22.54 H new ATOM 0 HA2 GLY A 21 19.643 -7.284 4.707 1.00 44.04 H new ATOM 0 HA3 GLY A 21 18.671 -8.353 5.699 1.00 44.04 H new ATOM 302 N LEU A 22 17.857 -9.489 3.094 1.00 15.25 N ATOM 303 CA LEU A 22 17.911 -10.560 2.104 1.00 52.43 C ATOM 304 C LEU A 22 18.465 -10.048 0.778 1.00 55.44 C ATOM 305 O LEU A 22 19.282 -10.709 0.139 1.00 50.40 O ATOM 306 CB LEU A 22 16.519 -11.155 1.892 1.00 21.11 C ATOM 307 CG LEU A 22 16.066 -11.303 0.439 1.00 70.30 C ATOM 308 CD1 LEU A 22 16.880 -12.375 -0.268 1.00 35.13 C ATOM 309 CD2 LEU A 22 14.581 -11.629 0.373 1.00 11.34 C ATOM 0 H LEU A 22 16.919 -9.132 3.278 1.00 15.25 H new ATOM 0 HA LEU A 22 18.578 -11.336 2.480 1.00 52.43 H new ATOM 0 HB2 LEU A 22 16.491 -12.138 2.362 1.00 21.11 H new ATOM 0 HB3 LEU A 22 15.795 -10.530 2.415 1.00 21.11 H new ATOM 0 HG LEU A 22 16.232 -10.354 -0.071 1.00 70.30 H new ATOM 0 HD11 LEU A 22 16.543 -12.466 -1.301 1.00 35.13 H new ATOM 0 HD12 LEU A 22 17.935 -12.100 -0.253 1.00 35.13 H new ATOM 0 HD13 LEU A 22 16.747 -13.329 0.242 1.00 35.13 H new ATOM 0 HD21 LEU A 22 14.277 -11.731 -0.669 1.00 11.34 H new ATOM 0 HD22 LEU A 22 14.390 -12.564 0.900 1.00 11.34 H new ATOM 0 HD23 LEU A 22 14.011 -10.826 0.841 1.00 11.34 H new ATOM 321 N MET A 23 18.016 -8.864 0.372 1.00 71.42 N ATOM 322 CA MET A 23 18.471 -8.262 -0.876 1.00 34.30 C ATOM 323 C MET A 23 19.917 -7.794 -0.759 1.00 73.54 C ATOM 324 O MET A 23 20.708 -7.952 -1.688 1.00 1.21 O ATOM 325 CB MET A 23 17.570 -7.085 -1.256 1.00 74.21 C ATOM 326 CG MET A 23 17.481 -6.015 -0.180 1.00 4.22 C ATOM 327 SD MET A 23 16.368 -4.670 -0.628 1.00 2.32 S ATOM 328 CE MET A 23 14.817 -5.550 -0.787 1.00 22.53 C ATOM 0 H MET A 23 17.338 -8.303 0.889 1.00 71.42 H new ATOM 0 HA MET A 23 18.416 -9.020 -1.658 1.00 34.30 H new ATOM 0 HB2 MET A 23 17.944 -6.634 -2.175 1.00 74.21 H new ATOM 0 HB3 MET A 23 16.568 -7.459 -1.469 1.00 74.21 H new ATOM 0 HG2 MET A 23 17.140 -6.469 0.751 1.00 4.22 H new ATOM 0 HG3 MET A 23 18.476 -5.611 0.008 1.00 4.22 H new ATOM 0 HE1 MET A 23 14.003 -4.919 -0.431 1.00 22.53 H new ATOM 0 HE2 MET A 23 14.648 -5.804 -1.833 1.00 22.53 H new ATOM 0 HE3 MET A 23 14.854 -6.463 -0.193 1.00 22.53 H new ATOM 338 N VAL A 24 20.257 -7.217 0.390 1.00 51.45 N ATOM 339 CA VAL A 24 21.609 -6.725 0.628 1.00 14.03 C ATOM 340 C VAL A 24 22.589 -7.880 0.806 1.00 22.43 C ATOM 341 O VAL A 24 23.629 -7.931 0.151 1.00 71.34 O ATOM 342 CB VAL A 24 21.666 -5.822 1.874 1.00 53.33 C ATOM 343 CG1 VAL A 24 23.094 -5.369 2.140 1.00 61.54 C ATOM 344 CG2 VAL A 24 20.741 -4.626 1.706 1.00 2.15 C ATOM 0 H VAL A 24 19.615 -7.079 1.170 1.00 51.45 H new ATOM 0 HA VAL A 24 21.893 -6.141 -0.248 1.00 14.03 H new ATOM 0 HB VAL A 24 21.327 -6.397 2.735 1.00 53.33 H new ATOM 0 HG11 VAL A 24 23.115 -4.732 3.024 1.00 61.54 H new ATOM 0 HG12 VAL A 24 23.727 -6.241 2.306 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.464 -4.810 1.281 1.00 61.54 H new ATOM 0 HG21 VAL A 24 20.793 -3.998 2.595 1.00 2.15 H new ATOM 0 HG22 VAL A 24 21.049 -4.048 0.835 1.00 2.15 H new ATOM 0 HG23 VAL A 24 19.717 -4.974 1.567 1.00 2.15 H new ATOM 354 N GLY A 25 22.249 -8.807 1.697 1.00 44.21 N ATOM 355 CA GLY A 25 23.109 -9.949 1.945 1.00 65.53 C ATOM 356 C GLY A 25 23.315 -10.799 0.707 1.00 70.22 C ATOM 357 O GLY A 25 24.384 -11.377 0.513 1.00 53.54 O ATOM 0 H GLY A 25 21.393 -8.787 2.251 1.00 44.21 H new ATOM 0 HA2 GLY A 25 24.076 -9.600 2.307 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.675 -10.562 2.735 1.00 65.53 H new ATOM 361 N GLY A 26 22.287 -10.878 -0.133 1.00 54.21 N ATOM 362 CA GLY A 26 22.381 -11.668 -1.347 1.00 74.34 C ATOM 363 C GLY A 26 23.314 -11.051 -2.370 1.00 71.24 C ATOM 364 O GLY A 26 24.221 -11.715 -2.874 1.00 23.22 O ATOM 0 H GLY A 26 21.392 -10.409 0.005 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.731 -12.670 -1.098 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.388 -11.776 -1.784 1.00 74.34 H new ATOM 368 N VAL A 27 23.093 -9.778 -2.679 1.00 63.41 N ATOM 369 CA VAL A 27 23.921 -9.071 -3.650 1.00 52.04 C ATOM 370 C VAL A 27 25.393 -9.120 -3.253 1.00 11.22 C ATOM 371 O VAL A 27 26.270 -9.295 -4.100 1.00 74.34 O ATOM 372 CB VAL A 27 23.488 -7.600 -3.792 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.391 -6.870 -4.775 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.033 -7.514 -4.228 1.00 61.31 C ATOM 0 H VAL A 27 22.347 -9.214 -2.271 1.00 63.41 H new ATOM 0 HA VAL A 27 23.787 -9.575 -4.607 1.00 52.04 H new ATOM 0 HB VAL A 27 23.582 -7.116 -2.820 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.070 -5.832 -4.862 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.420 -6.902 -4.417 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.331 -7.352 -5.751 1.00 65.31 H new ATOM 0 HG21 VAL A 27 21.743 -6.468 -4.324 1.00 61.31 H new ATOM 0 HG22 VAL A 27 21.911 -8.014 -5.189 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.401 -7.999 -3.484 1.00 61.31 H new ATOM 384 N VAL A 28 25.657 -8.963 -1.960 1.00 74.11 N ATOM 385 CA VAL A 28 27.024 -8.990 -1.451 1.00 14.13 C ATOM 386 C VAL A 28 27.677 -10.345 -1.701 1.00 43.43 C ATOM 387 O VAL A 28 28.718 -10.432 -2.353 1.00 21.32 O ATOM 388 CB VAL A 28 27.067 -8.683 0.058 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.494 -8.757 0.578 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.457 -7.319 0.341 1.00 14.12 C ATOM 0 H VAL A 28 24.944 -8.816 -1.246 1.00 74.11 H new ATOM 0 HA VAL A 28 27.577 -8.219 -1.988 1.00 14.13 H new ATOM 0 HB VAL A 28 26.477 -9.435 0.581 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.504 -8.537 1.646 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.891 -9.758 0.410 1.00 52.33 H new ATOM 0 HG13 VAL A 28 29.111 -8.029 0.052 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.496 -7.118 1.412 1.00 14.12 H new ATOM 0 HG22 VAL A 28 27.018 -6.552 -0.193 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.420 -7.308 0.007 1.00 14.12 H new ATOM 400 N ILE A 29 27.058 -11.400 -1.180 1.00 31.43 N ATOM 401 CA ILE A 29 27.579 -12.750 -1.349 1.00 40.45 C ATOM 402 C ILE A 29 27.850 -13.055 -2.818 1.00 14.33 C ATOM 403 O ILE A 29 28.911 -13.570 -3.170 1.00 13.41 O ATOM 404 CB ILE A 29 26.604 -13.803 -0.789 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.356 -13.560 0.700 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.148 -15.205 -1.020 1.00 63.04 C ATOM 407 CD1 ILE A 29 25.038 -14.117 1.193 1.00 62.43 C ATOM 0 H ILE A 29 26.196 -11.345 -0.638 1.00 31.43 H new ATOM 0 HA ILE A 29 28.515 -12.800 -0.792 1.00 40.45 H new ATOM 0 HB ILE A 29 25.654 -13.712 -1.315 1.00 22.32 H new ATOM 0 HG12 ILE A 29 27.168 -14.008 1.273 1.00 13.41 H new ATOM 0 HG13 ILE A 29 26.383 -12.488 0.894 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.448 -15.938 -0.619 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.277 -15.374 -2.089 1.00 63.04 H new ATOM 0 HG23 ILE A 29 28.110 -15.309 -0.518 1.00 63.04 H new ATOM 0 HD11 ILE A 29 24.930 -13.908 2.257 1.00 62.43 H new ATOM 0 HD12 ILE A 29 24.219 -13.650 0.646 1.00 62.43 H new ATOM 0 HD13 ILE A 29 25.015 -15.195 1.031 1.00 62.43 H new ATOM 419 N ALA A 30 26.885 -12.732 -3.673 1.00 2.53 N ATOM 420 CA ALA A 30 27.022 -12.967 -5.104 1.00 20.44 C ATOM 421 C ALA A 30 28.322 -12.373 -5.636 1.00 61.53 C ATOM 422 O ALA A 30 29.115 -13.062 -6.278 1.00 22.11 O ATOM 423 CB ALA A 30 25.829 -12.387 -5.851 1.00 1.24 C ATOM 0 H ALA A 30 26.000 -12.307 -3.398 1.00 2.53 H new ATOM 0 HA ALA A 30 27.051 -14.044 -5.269 1.00 20.44 H new ATOM 0 HB1 ALA A 30 25.945 -12.570 -6.919 1.00 1.24 H new ATOM 0 HB2 ALA A 30 24.913 -12.862 -5.499 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.774 -11.313 -5.671 1.00 1.24 H new ATOM 429 N THR A 31 28.534 -11.089 -5.368 1.00 63.13 N ATOM 430 CA THR A 31 29.736 -10.401 -5.821 1.00 61.04 C ATOM 431 C THR A 31 30.989 -11.033 -5.226 1.00 61.13 C ATOM 432 O THR A 31 32.006 -11.178 -5.903 1.00 5.41 O ATOM 433 CB THR A 31 29.703 -8.906 -5.450 1.00 40.33 C ATOM 434 OG1 THR A 31 28.405 -8.364 -5.716 1.00 32.33 O ATOM 435 CG2 THR A 31 30.753 -8.131 -6.233 1.00 65.53 C ATOM 0 H THR A 31 27.888 -10.504 -4.839 1.00 63.13 H new ATOM 0 HA THR A 31 29.764 -10.497 -6.906 1.00 61.04 H new ATOM 0 HB THR A 31 29.924 -8.813 -4.387 1.00 40.33 H new ATOM 0 HG1 THR A 31 27.786 -8.633 -5.005 1.00 32.33 H new ATOM 0 HG21 THR A 31 30.711 -7.078 -5.954 1.00 65.53 H new ATOM 0 HG22 THR A 31 31.743 -8.527 -6.005 1.00 65.53 H new ATOM 0 HG23 THR A 31 30.559 -8.232 -7.301 1.00 65.53 H new ATOM 443 N VAL A 32 30.908 -11.410 -3.953 1.00 63.42 N ATOM 444 CA VAL A 32 32.035 -12.029 -3.266 1.00 5.54 C ATOM 445 C VAL A 32 32.553 -13.237 -4.039 1.00 54.05 C ATOM 446 O VAL A 32 33.750 -13.347 -4.311 1.00 5.41 O ATOM 447 CB VAL A 32 31.651 -12.470 -1.842 1.00 73.24 C ATOM 448 CG1 VAL A 32 32.829 -13.141 -1.153 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.156 -11.282 -1.032 1.00 21.44 C ATOM 0 H VAL A 32 30.074 -11.297 -3.377 1.00 63.42 H new ATOM 0 HA VAL A 32 32.821 -11.276 -3.205 1.00 5.54 H new ATOM 0 HB VAL A 32 30.841 -13.196 -1.912 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.537 -13.445 -0.148 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.133 -14.018 -1.724 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.662 -12.441 -1.093 1.00 21.44 H new ATOM 0 HG21 VAL A 32 30.889 -11.612 -0.028 1.00 21.44 H new ATOM 0 HG22 VAL A 32 31.943 -10.531 -0.970 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.280 -10.850 -1.517 1.00 21.44 H new ATOM 459 N ILE A 33 31.645 -14.141 -4.391 1.00 72.13 N ATOM 460 CA ILE A 33 32.010 -15.341 -5.133 1.00 54.42 C ATOM 461 C ILE A 33 32.587 -14.988 -6.499 1.00 4.00 C ATOM 462 O ILE A 33 33.603 -15.542 -6.919 1.00 21.31 O ATOM 463 CB ILE A 33 30.801 -16.274 -5.325 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.147 -16.583 -3.976 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.227 -17.559 -6.019 1.00 62.10 C ATOM 466 CD1 ILE A 33 31.069 -17.291 -3.007 1.00 11.23 C ATOM 0 H ILE A 33 30.651 -14.065 -4.174 1.00 72.13 H new ATOM 0 HA ILE A 33 32.767 -15.858 -4.544 1.00 54.42 H new ATOM 0 HB ILE A 33 30.069 -15.769 -5.955 1.00 52.12 H new ATOM 0 HG12 ILE A 33 29.805 -15.652 -3.525 1.00 21.12 H new ATOM 0 HG13 ILE A 33 29.264 -17.200 -4.142 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.361 -18.208 -6.147 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.651 -17.322 -6.995 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.976 -18.069 -5.413 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.540 -17.479 -2.073 1.00 11.23 H new ATOM 0 HD12 ILE A 33 31.391 -18.239 -3.438 1.00 11.23 H new ATOM 0 HD13 ILE A 33 31.941 -16.666 -2.812 1.00 11.23 H new ATOM 478 N VAL A 34 31.932 -14.059 -7.190 1.00 14.21 N ATOM 479 CA VAL A 34 32.381 -13.629 -8.508 1.00 63.22 C ATOM 480 C VAL A 34 33.838 -13.180 -8.474 1.00 1.31 C ATOM 481 O VAL A 34 34.669 -13.676 -9.234 1.00 61.34 O ATOM 482 CB VAL A 34 31.513 -12.476 -9.048 1.00 45.31 C ATOM 483 CG1 VAL A 34 31.945 -12.097 -10.456 1.00 71.33 C ATOM 484 CG2 VAL A 34 30.041 -12.859 -9.019 1.00 44.42 C ATOM 0 H VAL A 34 31.089 -13.591 -6.858 1.00 14.21 H new ATOM 0 HA VAL A 34 32.284 -14.489 -9.171 1.00 63.22 H new ATOM 0 HB VAL A 34 31.652 -11.607 -8.404 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.321 -11.281 -10.821 1.00 71.33 H new ATOM 0 HG12 VAL A 34 32.987 -11.779 -10.443 1.00 71.33 H new ATOM 0 HG13 VAL A 34 31.837 -12.959 -11.114 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.443 -12.033 -9.404 1.00 44.42 H new ATOM 0 HG22 VAL A 34 29.882 -13.742 -9.639 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.742 -13.077 -7.994 1.00 44.42 H new ATOM 494 N ILE A 35 34.140 -12.238 -7.586 1.00 52.04 N ATOM 495 CA ILE A 35 35.497 -11.723 -7.451 1.00 3.11 C ATOM 496 C ILE A 35 36.471 -12.835 -7.073 1.00 22.43 C ATOM 497 O ILE A 35 37.608 -12.867 -7.547 1.00 24.13 O ATOM 498 CB ILE A 35 35.573 -10.608 -6.392 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.632 -9.459 -6.761 1.00 54.20 C ATOM 500 CG2 ILE A 35 37.002 -10.104 -6.254 1.00 4.32 C ATOM 501 CD1 ILE A 35 34.381 -8.493 -5.625 1.00 4.51 C ATOM 0 H ILE A 35 33.463 -11.816 -6.950 1.00 52.04 H new ATOM 0 HA ILE A 35 35.777 -11.311 -8.421 1.00 3.11 H new ATOM 0 HB ILE A 35 35.258 -11.018 -5.432 1.00 71.33 H new ATOM 0 HG12 ILE A 35 35.053 -8.913 -7.605 1.00 54.20 H new ATOM 0 HG13 ILE A 35 33.679 -9.873 -7.092 1.00 54.20 H new ATOM 0 HG21 ILE A 35 37.039 -9.316 -5.502 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.650 -10.926 -5.951 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.342 -9.708 -7.211 1.00 4.32 H new ATOM 0 HD11 ILE A 35 33.706 -7.706 -5.960 1.00 4.51 H new ATOM 0 HD12 ILE A 35 33.931 -9.026 -4.787 1.00 4.51 H new ATOM 0 HD13 ILE A 35 35.325 -8.051 -5.308 1.00 4.51 H new ATOM 513 N THR A 36 36.018 -13.746 -6.217 1.00 23.30 N ATOM 514 CA THR A 36 36.848 -14.859 -5.776 1.00 12.33 C ATOM 515 C THR A 36 37.204 -15.775 -6.941 1.00 64.40 C ATOM 516 O THR A 36 38.325 -16.278 -7.029 1.00 3.32 O ATOM 517 CB THR A 36 36.145 -15.685 -4.682 1.00 2.02 C ATOM 518 OG1 THR A 36 35.855 -14.857 -3.551 1.00 42.24 O ATOM 519 CG2 THR A 36 37.012 -16.858 -4.249 1.00 24.42 C ATOM 0 H THR A 36 35.080 -13.734 -5.816 1.00 23.30 H new ATOM 0 HA THR A 36 37.761 -14.429 -5.365 1.00 12.33 H new ATOM 0 HB THR A 36 35.214 -16.074 -5.094 1.00 2.02 H new ATOM 0 HG1 THR A 36 35.218 -14.159 -3.811 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.495 -17.427 -3.476 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.206 -17.503 -5.106 1.00 24.42 H new ATOM 0 HG23 THR A 36 37.957 -16.486 -3.854 1.00 24.42 H new ATOM 527 N LEU A 37 36.243 -15.991 -7.832 1.00 64.30 N ATOM 528 CA LEU A 37 36.454 -16.847 -8.994 1.00 12.02 C ATOM 529 C LEU A 37 37.393 -16.184 -9.996 1.00 42.22 C ATOM 530 O LEU A 37 38.204 -16.850 -10.639 1.00 14.21 O ATOM 531 CB LEU A 37 35.118 -17.169 -9.665 1.00 4.41 C ATOM 532 CG LEU A 37 35.199 -17.752 -11.076 1.00 24.51 C ATOM 533 CD1 LEU A 37 34.416 -19.053 -11.163 1.00 52.32 C ATOM 534 CD2 LEU A 37 34.684 -16.747 -12.098 1.00 32.01 C ATOM 0 H LEU A 37 35.309 -15.585 -7.772 1.00 64.30 H new ATOM 0 HA LEU A 37 36.914 -17.774 -8.652 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.577 -17.873 -9.033 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.525 -16.256 -9.704 1.00 4.41 H new ATOM 0 HG LEU A 37 36.244 -17.966 -11.301 1.00 24.51 H new ATOM 0 HD11 LEU A 37 34.486 -19.453 -12.175 1.00 52.32 H new ATOM 0 HD12 LEU A 37 34.830 -19.775 -10.459 1.00 52.32 H new ATOM 0 HD13 LEU A 37 33.371 -18.866 -10.918 1.00 52.32 H new ATOM 0 HD21 LEU A 37 34.749 -17.178 -13.097 1.00 32.01 H new ATOM 0 HD22 LEU A 37 33.646 -16.501 -11.875 1.00 32.01 H new ATOM 0 HD23 LEU A 37 35.289 -15.841 -12.054 1.00 32.01 H new ATOM 546 N VAL A 38 37.278 -14.865 -10.124 1.00 12.50 N ATOM 547 CA VAL A 38 38.117 -14.110 -11.046 1.00 14.13 C ATOM 548 C VAL A 38 39.586 -14.194 -10.645 1.00 43.02 C ATOM 549 O VAL A 38 40.455 -14.439 -11.482 1.00 4.42 O ATOM 550 CB VAL A 38 37.696 -12.629 -11.104 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.610 -11.851 -12.038 1.00 52.42 C ATOM 552 CG2 VAL A 38 36.244 -12.506 -11.541 1.00 72.31 C ATOM 0 H VAL A 38 36.611 -14.298 -9.600 1.00 12.50 H new ATOM 0 HA VAL A 38 37.986 -14.556 -12.032 1.00 14.13 H new ATOM 0 HB VAL A 38 37.789 -12.203 -10.105 1.00 63.23 H new ATOM 0 HG11 VAL A 38 38.298 -10.807 -12.067 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.637 -11.913 -11.677 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.552 -12.275 -13.041 1.00 52.42 H new ATOM 0 HG21 VAL A 38 35.963 -11.454 -11.577 1.00 72.31 H new ATOM 0 HG22 VAL A 38 36.123 -12.948 -12.530 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.604 -13.029 -10.830 1.00 72.31 H new ATOM 562 N MET A 39 39.856 -13.989 -9.360 1.00 61.25 N ATOM 563 CA MET A 39 41.220 -14.043 -8.848 1.00 21.03 C ATOM 564 C MET A 39 41.770 -15.464 -8.914 1.00 45.04 C ATOM 565 O MET A 39 42.958 -15.670 -9.165 1.00 22.32 O ATOM 566 CB MET A 39 41.267 -13.532 -7.406 1.00 2.21 C ATOM 567 CG MET A 39 40.392 -14.328 -6.451 1.00 10.01 C ATOM 568 SD MET A 39 40.520 -13.750 -4.748 1.00 64.42 S ATOM 569 CE MET A 39 41.151 -15.218 -3.939 1.00 13.41 C ATOM 0 H MET A 39 39.148 -13.784 -8.655 1.00 61.25 H new ATOM 0 HA MET A 39 41.842 -13.402 -9.474 1.00 21.03 H new ATOM 0 HB2 MET A 39 42.297 -13.562 -7.052 1.00 2.21 H new ATOM 0 HB3 MET A 39 40.954 -12.488 -7.389 1.00 2.21 H new ATOM 0 HG2 MET A 39 39.354 -14.263 -6.776 1.00 10.01 H new ATOM 0 HG3 MET A 39 40.675 -15.380 -6.496 1.00 10.01 H new ATOM 0 HE1 MET A 39 41.284 -15.019 -2.876 1.00 13.41 H new ATOM 0 HE2 MET A 39 40.444 -16.037 -4.069 1.00 13.41 H new ATOM 0 HE3 MET A 39 42.110 -15.492 -4.379 1.00 13.41 H new ATOM 579 N LEU A 40 40.899 -16.442 -8.689 1.00 32.34 N ATOM 580 CA LEU A 40 41.298 -17.844 -8.723 1.00 63.45 C ATOM 581 C LEU A 40 41.755 -18.246 -10.121 1.00 3.35 C ATOM 582 O LEU A 40 42.762 -18.936 -10.283 1.00 22.51 O ATOM 583 CB LEU A 40 40.138 -18.736 -8.277 1.00 12.50 C ATOM 584 CG LEU A 40 40.401 -19.621 -7.059 1.00 51.42 C ATOM 585 CD1 LEU A 40 41.671 -20.434 -7.254 1.00 44.13 C ATOM 586 CD2 LEU A 40 40.495 -18.777 -5.796 1.00 71.23 C ATOM 0 H LEU A 40 39.912 -16.289 -8.481 1.00 32.34 H new ATOM 0 HA LEU A 40 42.134 -17.975 -8.036 1.00 63.45 H new ATOM 0 HB2 LEU A 40 39.280 -18.100 -8.060 1.00 12.50 H new ATOM 0 HB3 LEU A 40 39.857 -19.377 -9.113 1.00 12.50 H new ATOM 0 HG LEU A 40 39.565 -20.312 -6.949 1.00 51.42 H new ATOM 0 HD11 LEU A 40 41.842 -21.058 -6.377 1.00 44.13 H new ATOM 0 HD12 LEU A 40 41.566 -21.067 -8.135 1.00 44.13 H new ATOM 0 HD13 LEU A 40 42.517 -19.760 -7.390 1.00 44.13 H new ATOM 0 HD21 LEU A 40 40.682 -19.424 -4.939 1.00 71.23 H new ATOM 0 HD22 LEU A 40 41.311 -18.062 -5.896 1.00 71.23 H new ATOM 0 HD23 LEU A 40 39.558 -18.240 -5.647 1.00 71.23 H new ATOM 598 N LYS A 41 41.010 -17.809 -11.131 1.00 21.33 N ATOM 599 CA LYS A 41 41.340 -18.119 -12.516 1.00 43.51 C ATOM 600 C LYS A 41 42.440 -17.198 -13.033 1.00 52.01 C ATOM 601 O LYS A 41 43.216 -17.572 -13.913 1.00 71.12 O ATOM 602 CB LYS A 41 40.096 -17.991 -13.399 1.00 53.23 C ATOM 603 CG LYS A 41 39.685 -16.553 -13.665 1.00 12.31 C ATOM 604 CD LYS A 41 38.486 -16.479 -14.595 1.00 0.25 C ATOM 605 CE LYS A 41 37.258 -17.130 -13.976 1.00 15.01 C ATOM 606 NZ LYS A 41 36.854 -18.361 -14.709 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.173 -17.238 -11.015 1.00 21.33 H new ATOM 0 HA LYS A 41 41.703 -19.146 -12.556 1.00 43.51 H new ATOM 0 HB2 LYS A 41 40.283 -18.489 -14.351 1.00 53.23 H new ATOM 0 HB3 LYS A 41 39.267 -18.515 -12.923 1.00 53.23 H new ATOM 0 HG2 LYS A 41 39.446 -16.062 -12.722 1.00 12.31 H new ATOM 0 HG3 LYS A 41 40.522 -16.010 -14.104 1.00 12.31 H new ATOM 0 HD2 LYS A 41 38.268 -15.436 -14.827 1.00 0.25 H new ATOM 0 HD3 LYS A 41 38.724 -16.972 -15.537 1.00 0.25 H new ATOM 0 HE2 LYS A 41 37.465 -17.379 -12.935 1.00 15.01 H new ATOM 0 HE3 LYS A 41 36.431 -16.420 -13.976 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 36.014 -18.775 -14.256 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 36.632 -18.120 -15.696 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 37.633 -19.049 -14.687 1.00 0.01 H new ATOM 620 N LYS A 42 42.503 -15.991 -12.481 1.00 51.20 N ATOM 621 CA LYS A 42 43.511 -15.017 -12.883 1.00 63.05 C ATOM 622 C LYS A 42 44.837 -15.282 -12.178 1.00 75.13 C ATOM 623 O LYS A 42 45.093 -14.754 -11.096 1.00 11.34 O ATOM 624 CB LYS A 42 43.029 -13.598 -12.571 1.00 73.31 C ATOM 625 CG LYS A 42 44.045 -12.522 -12.917 1.00 3.55 C ATOM 626 CD LYS A 42 43.422 -11.414 -13.749 1.00 52.11 C ATOM 627 CE LYS A 42 44.416 -10.841 -14.748 1.00 52.23 C ATOM 628 NZ LYS A 42 45.434 -9.978 -14.086 1.00 52.20 N1+ ATOM 0 H LYS A 42 41.867 -15.664 -11.753 1.00 51.20 H new ATOM 0 HA LYS A 42 43.667 -15.114 -13.957 1.00 63.05 H new ATOM 0 HB2 LYS A 42 42.108 -13.407 -13.121 1.00 73.31 H new ATOM 0 HB3 LYS A 42 42.787 -13.530 -11.510 1.00 73.31 H new ATOM 0 HG2 LYS A 42 44.458 -12.101 -12.000 1.00 3.55 H new ATOM 0 HG3 LYS A 42 44.875 -12.967 -13.465 1.00 3.55 H new ATOM 0 HD2 LYS A 42 42.553 -11.801 -14.280 1.00 52.11 H new ATOM 0 HD3 LYS A 42 43.066 -10.620 -13.092 1.00 52.11 H new ATOM 0 HE2 LYS A 42 44.916 -11.656 -15.271 1.00 52.23 H new ATOM 0 HE3 LYS A 42 43.881 -10.260 -15.500 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 46.092 -9.607 -14.801 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 44.959 -9.186 -13.608 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 45.962 -10.538 -13.386 1.00 52.20 H new ATOM 642 N LYS A 43 45.678 -16.101 -12.800 1.00 65.22 N ATOM 643 CA LYS A 43 46.980 -16.434 -12.233 1.00 71.00 C ATOM 644 C LYS A 43 48.073 -15.548 -12.822 1.00 0.54 C ATOM 645 O LYS A 43 48.595 -14.688 -12.115 1.00 31.10 O ATOM 646 CB LYS A 43 47.310 -17.907 -12.492 1.00 34.12 C ATOM 647 CG LYS A 43 48.041 -18.577 -11.342 1.00 32.44 C ATOM 648 CD LYS A 43 47.576 -20.011 -11.145 1.00 72.23 C ATOM 649 CE LYS A 43 48.584 -20.819 -10.344 1.00 55.42 C ATOM 650 NZ LYS A 43 48.721 -20.311 -8.950 1.00 35.41 N1+ ATOM 0 H LYS A 43 45.482 -16.546 -13.696 1.00 65.22 H new ATOM 0 HA LYS A 43 46.935 -16.260 -11.158 1.00 71.00 H new ATOM 0 HB2 LYS A 43 46.385 -18.449 -12.689 1.00 34.12 H new ATOM 0 HB3 LYS A 43 47.920 -17.981 -13.392 1.00 34.12 H new ATOM 0 HG2 LYS A 43 49.114 -18.565 -11.535 1.00 32.44 H new ATOM 0 HG3 LYS A 43 47.876 -18.011 -10.425 1.00 32.44 H new ATOM 0 HD2 LYS A 43 46.614 -20.015 -10.632 1.00 72.23 H new ATOM 0 HD3 LYS A 43 47.421 -20.481 -12.116 1.00 72.23 H new ATOM 0 HE2 LYS A 43 48.275 -21.864 -10.321 1.00 55.42 H new ATOM 0 HE3 LYS A 43 49.554 -20.784 -10.840 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 49.417 -20.888 -8.437 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 49.040 -19.321 -8.971 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 47.801 -20.368 -8.468 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 13.570 15.869 -0.032 1.00 53.22 N ATOM 666 CA GLY B 1 13.148 14.669 -0.733 1.00 45.42 C ATOM 667 C GLY B 1 11.725 14.767 -1.244 1.00 11.40 C ATOM 668 O GLY B 1 10.937 15.575 -0.754 1.00 20.32 O ATOM 0 H1 GLY B 1 14.161 16.449 -0.661 1.00 53.22 H new ATOM 0 H2 GLY B 1 12.733 16.415 0.257 1.00 53.22 H new ATOM 0 H3 GLY B 1 14.118 15.604 0.811 1.00 53.22 H new ATOM 0 HA2 GLY B 1 13.820 14.486 -1.571 1.00 45.42 H new ATOM 0 HA3 GLY B 1 13.233 13.812 -0.064 1.00 45.42 H new ATOM 672 N SER B 2 11.396 13.944 -2.235 1.00 72.12 N ATOM 673 CA SER B 2 10.059 13.944 -2.818 1.00 41.31 C ATOM 674 C SER B 2 9.227 12.790 -2.269 1.00 35.14 C ATOM 675 O SER B 2 9.103 11.744 -2.906 1.00 22.20 O ATOM 676 CB SER B 2 10.145 13.849 -4.342 1.00 64.41 C ATOM 677 OG SER B 2 11.240 13.044 -4.741 1.00 51.02 O ATOM 0 H SER B 2 12.037 13.269 -2.651 1.00 72.12 H new ATOM 0 HA SER B 2 9.571 14.880 -2.547 1.00 41.31 H new ATOM 0 HB2 SER B 2 9.219 13.430 -4.736 1.00 64.41 H new ATOM 0 HB3 SER B 2 10.250 14.847 -4.767 1.00 64.41 H new ATOM 0 HG SER B 2 11.272 12.997 -5.719 1.00 51.02 H new ATOM 683 N GLN B 3 8.660 12.988 -1.084 1.00 42.32 N ATOM 684 CA GLN B 3 7.840 11.963 -0.449 1.00 54.12 C ATOM 685 C GLN B 3 6.589 11.677 -1.275 1.00 55.21 C ATOM 686 O GLN B 3 6.055 10.568 -1.249 1.00 15.34 O ATOM 687 CB GLN B 3 7.445 12.398 0.963 1.00 34.12 C ATOM 688 CG GLN B 3 7.552 11.287 1.995 1.00 43.54 C ATOM 689 CD GLN B 3 8.938 11.186 2.601 1.00 71.33 C ATOM 690 OE1 GLN B 3 9.931 11.550 1.972 1.00 74.31 O ATOM 691 NE2 GLN B 3 9.011 10.691 3.831 1.00 35.24 N ATOM 0 H GLN B 3 8.753 13.848 -0.544 1.00 42.32 H new ATOM 0 HA GLN B 3 8.430 11.048 -0.388 1.00 54.12 H new ATOM 0 HB2 GLN B 3 8.080 13.229 1.269 1.00 34.12 H new ATOM 0 HB3 GLN B 3 6.420 12.769 0.946 1.00 34.12 H new ATOM 0 HG2 GLN B 3 6.825 11.461 2.788 1.00 43.54 H new ATOM 0 HG3 GLN B 3 7.293 10.336 1.528 1.00 43.54 H new ATOM 0 HE21 GLN B 3 8.161 10.402 4.316 1.00 35.24 H new ATOM 0 HE22 GLN B 3 9.917 10.600 4.291 1.00 35.24 H new ATOM 700 N LYS B 4 6.128 12.685 -2.007 1.00 43.11 N ATOM 701 CA LYS B 4 4.940 12.543 -2.841 1.00 32.21 C ATOM 702 C LYS B 4 5.211 11.613 -4.020 1.00 53.02 C ATOM 703 O LYS B 4 4.331 10.868 -4.450 1.00 40.43 O ATOM 704 CB LYS B 4 4.485 13.912 -3.353 1.00 12.53 C ATOM 705 CG LYS B 4 5.547 14.647 -4.154 1.00 1.55 C ATOM 706 CD LYS B 4 5.369 16.153 -4.067 1.00 35.44 C ATOM 707 CE LYS B 4 6.504 16.889 -4.762 1.00 5.21 C ATOM 708 NZ LYS B 4 6.264 18.358 -4.812 1.00 4.24 N1+ ATOM 0 H LYS B 4 6.559 13.609 -2.040 1.00 43.11 H new ATOM 0 HA LYS B 4 4.148 12.108 -2.231 1.00 32.21 H new ATOM 0 HB2 LYS B 4 3.599 13.782 -3.974 1.00 12.53 H new ATOM 0 HB3 LYS B 4 4.191 14.529 -2.504 1.00 12.53 H new ATOM 0 HG2 LYS B 4 6.536 14.375 -3.785 1.00 1.55 H new ATOM 0 HG3 LYS B 4 5.499 14.334 -5.197 1.00 1.55 H new ATOM 0 HD2 LYS B 4 4.419 16.435 -4.521 1.00 35.44 H new ATOM 0 HD3 LYS B 4 5.324 16.455 -3.021 1.00 35.44 H new ATOM 0 HE2 LYS B 4 7.439 16.691 -4.238 1.00 5.21 H new ATOM 0 HE3 LYS B 4 6.619 16.505 -5.776 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 7.060 18.824 -5.293 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 5.385 18.549 -5.334 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 6.180 18.729 -3.844 1.00 4.24 H new ATOM 722 N LEU B 5 6.434 11.662 -4.536 1.00 34.22 N ATOM 723 CA LEU B 5 6.822 10.822 -5.664 1.00 23.42 C ATOM 724 C LEU B 5 6.710 9.344 -5.306 1.00 41.44 C ATOM 725 O LEU B 5 6.024 8.579 -5.985 1.00 34.33 O ATOM 726 CB LEU B 5 8.252 11.147 -6.099 1.00 43.11 C ATOM 727 CG LEU B 5 8.781 10.364 -7.302 1.00 61.22 C ATOM 728 CD1 LEU B 5 8.157 10.878 -8.590 1.00 31.04 C ATOM 729 CD2 LEU B 5 10.299 10.454 -7.370 1.00 32.43 C ATOM 0 H LEU B 5 7.174 12.274 -4.192 1.00 34.22 H new ATOM 0 HA LEU B 5 6.142 11.029 -6.490 1.00 23.42 H new ATOM 0 HB2 LEU B 5 8.307 12.211 -6.330 1.00 43.11 H new ATOM 0 HB3 LEU B 5 8.917 10.969 -5.254 1.00 43.11 H new ATOM 0 HG LEU B 5 8.503 9.317 -7.181 1.00 61.22 H new ATOM 0 HD11 LEU B 5 8.545 10.309 -9.435 1.00 31.04 H new ATOM 0 HD12 LEU B 5 7.074 10.762 -8.541 1.00 31.04 H new ATOM 0 HD13 LEU B 5 8.404 11.932 -8.718 1.00 31.04 H new ATOM 0 HD21 LEU B 5 10.659 9.891 -8.232 1.00 32.43 H new ATOM 0 HD22 LEU B 5 10.598 11.498 -7.468 1.00 32.43 H new ATOM 0 HD23 LEU B 5 10.729 10.037 -6.459 1.00 32.43 H new ATOM 741 N VAL B 6 7.388 8.947 -4.233 1.00 61.20 N ATOM 742 CA VAL B 6 7.363 7.561 -3.782 1.00 73.22 C ATOM 743 C VAL B 6 5.984 7.180 -3.255 1.00 65.44 C ATOM 744 O VAL B 6 5.566 6.026 -3.358 1.00 21.42 O ATOM 745 CB VAL B 6 8.409 7.310 -2.680 1.00 23.24 C ATOM 746 CG1 VAL B 6 9.816 7.523 -3.219 1.00 75.25 C ATOM 747 CG2 VAL B 6 8.147 8.210 -1.482 1.00 10.05 C ATOM 0 H VAL B 6 7.961 9.566 -3.660 1.00 61.20 H new ATOM 0 HA VAL B 6 7.602 6.942 -4.647 1.00 73.22 H new ATOM 0 HB VAL B 6 8.324 6.274 -2.353 1.00 23.24 H new ATOM 0 HG11 VAL B 6 10.541 7.341 -2.426 1.00 75.25 H new ATOM 0 HG12 VAL B 6 9.998 6.833 -4.043 1.00 75.25 H new ATOM 0 HG13 VAL B 6 9.918 8.548 -3.575 1.00 75.25 H new ATOM 0 HG21 VAL B 6 8.896 8.019 -0.713 1.00 10.05 H new ATOM 0 HG22 VAL B 6 8.203 9.254 -1.792 1.00 10.05 H new ATOM 0 HG23 VAL B 6 7.155 8.003 -1.082 1.00 10.05 H new ATOM 757 N PHE B 7 5.282 8.156 -2.691 1.00 44.35 N ATOM 758 CA PHE B 7 3.949 7.923 -2.147 1.00 4.41 C ATOM 759 C PHE B 7 2.948 7.635 -3.262 1.00 63.22 C ATOM 760 O PHE B 7 1.984 6.894 -3.070 1.00 2.21 O ATOM 761 CB PHE B 7 3.488 9.135 -1.333 1.00 22.50 C ATOM 762 CG PHE B 7 2.121 8.969 -0.734 1.00 33.23 C ATOM 763 CD1 PHE B 7 1.962 8.377 0.508 1.00 35.51 C ATOM 764 CD2 PHE B 7 0.994 9.406 -1.413 1.00 54.13 C ATOM 765 CE1 PHE B 7 0.704 8.224 1.063 1.00 14.54 C ATOM 766 CE2 PHE B 7 -0.265 9.256 -0.863 1.00 51.43 C ATOM 767 CZ PHE B 7 -0.409 8.663 0.376 1.00 53.25 C ATOM 0 H PHE B 7 5.613 9.116 -2.598 1.00 44.35 H new ATOM 0 HA PHE B 7 3.998 7.052 -1.494 1.00 4.41 H new ATOM 0 HB2 PHE B 7 4.206 9.321 -0.534 1.00 22.50 H new ATOM 0 HB3 PHE B 7 3.490 10.016 -1.975 1.00 22.50 H new ATOM 0 HD1 PHE B 7 2.830 8.031 1.049 1.00 35.51 H new ATOM 0 HD2 PHE B 7 1.101 9.869 -2.383 1.00 54.13 H new ATOM 0 HE1 PHE B 7 0.593 7.762 2.033 1.00 14.54 H new ATOM 0 HE2 PHE B 7 -1.135 9.602 -1.401 1.00 51.43 H new ATOM 0 HZ PHE B 7 -1.392 8.543 0.807 1.00 53.25 H new ATOM 777 N PHE B 8 3.186 8.226 -4.429 1.00 14.24 N ATOM 778 CA PHE B 8 2.305 8.034 -5.576 1.00 23.40 C ATOM 779 C PHE B 8 2.502 6.651 -6.187 1.00 21.31 C ATOM 780 O PHE B 8 1.567 6.060 -6.727 1.00 43.03 O ATOM 781 CB PHE B 8 2.566 9.111 -6.631 1.00 62.24 C ATOM 782 CG PHE B 8 1.624 9.047 -7.799 1.00 44.41 C ATOM 783 CD1 PHE B 8 0.345 9.570 -7.704 1.00 71.13 C ATOM 784 CD2 PHE B 8 2.018 8.461 -8.991 1.00 45.44 C ATOM 785 CE1 PHE B 8 -0.525 9.513 -8.778 1.00 35.51 C ATOM 786 CE2 PHE B 8 1.153 8.401 -10.067 1.00 71.42 C ATOM 787 CZ PHE B 8 -0.120 8.926 -9.960 1.00 61.34 C ATOM 0 H PHE B 8 3.980 8.841 -4.605 1.00 14.24 H new ATOM 0 HA PHE B 8 1.275 8.116 -5.229 1.00 23.40 H new ATOM 0 HB2 PHE B 8 2.487 10.093 -6.164 1.00 62.24 H new ATOM 0 HB3 PHE B 8 3.589 9.012 -6.994 1.00 62.24 H new ATOM 0 HD1 PHE B 8 0.023 10.028 -6.780 1.00 71.13 H new ATOM 0 HD2 PHE B 8 3.011 8.047 -9.080 1.00 45.44 H new ATOM 0 HE1 PHE B 8 -1.519 9.927 -8.692 1.00 35.51 H new ATOM 0 HE2 PHE B 8 1.472 7.944 -10.992 1.00 71.42 H new ATOM 0 HZ PHE B 8 -0.797 8.877 -10.800 1.00 61.34 H new ATOM 797 N ALA B 9 3.725 6.138 -6.097 1.00 3.32 N ATOM 798 CA ALA B 9 4.045 4.824 -6.639 1.00 54.53 C ATOM 799 C ALA B 9 3.320 3.723 -5.874 1.00 33.43 C ATOM 800 O ALA B 9 2.780 2.792 -6.471 1.00 63.12 O ATOM 801 CB ALA B 9 5.548 4.590 -6.605 1.00 3.22 C ATOM 0 H ALA B 9 4.511 6.614 -5.653 1.00 3.32 H new ATOM 0 HA ALA B 9 3.707 4.794 -7.675 1.00 54.53 H new ATOM 0 HB1 ALA B 9 5.772 3.604 -7.013 1.00 3.22 H new ATOM 0 HB2 ALA B 9 6.049 5.352 -7.202 1.00 3.22 H new ATOM 0 HB3 ALA B 9 5.902 4.645 -5.575 1.00 3.22 H new ATOM 807 N GLU B 10 3.311 3.836 -4.549 1.00 45.21 N ATOM 808 CA GLU B 10 2.652 2.848 -3.703 1.00 70.42 C ATOM 809 C GLU B 10 1.161 2.770 -4.017 1.00 44.53 C ATOM 810 O GLU B 10 0.531 1.728 -3.838 1.00 32.34 O ATOM 811 CB GLU B 10 2.857 3.191 -2.226 1.00 22.13 C ATOM 812 CG GLU B 10 3.993 2.421 -1.574 1.00 1.50 C ATOM 813 CD GLU B 10 3.778 2.213 -0.087 1.00 64.55 C ATOM 814 OE1 GLU B 10 2.866 1.443 0.278 1.00 64.21 O ATOM 815 OE2 GLU B 10 4.523 2.820 0.710 1.00 2.44 O1- ATOM 0 H GLU B 10 3.752 4.601 -4.039 1.00 45.21 H new ATOM 0 HA GLU B 10 3.099 1.875 -3.908 1.00 70.42 H new ATOM 0 HB2 GLU B 10 3.053 4.259 -2.134 1.00 22.13 H new ATOM 0 HB3 GLU B 10 1.934 2.989 -1.683 1.00 22.13 H new ATOM 0 HG2 GLU B 10 4.097 1.452 -2.062 1.00 1.50 H new ATOM 0 HG3 GLU B 10 4.928 2.958 -1.731 1.00 1.50 H new ATOM 822 N ASP B 11 0.602 3.882 -4.484 1.00 22.22 N ATOM 823 CA ASP B 11 -0.814 3.942 -4.824 1.00 24.31 C ATOM 824 C ASP B 11 -1.175 2.864 -5.842 1.00 71.11 C ATOM 825 O ASP B 11 -2.171 2.157 -5.688 1.00 64.32 O ATOM 826 CB ASP B 11 -1.171 5.322 -5.375 1.00 44.23 C ATOM 827 CG ASP B 11 -2.473 5.853 -4.809 1.00 22.45 C ATOM 828 OD1 ASP B 11 -3.497 5.143 -4.907 1.00 53.01 O ATOM 829 OD2 ASP B 11 -2.469 6.978 -4.266 1.00 74.44 O1- ATOM 0 H ASP B 11 1.109 4.754 -4.635 1.00 22.22 H new ATOM 0 HA ASP B 11 -1.388 3.764 -3.915 1.00 24.31 H new ATOM 0 HB2 ASP B 11 -0.367 6.021 -5.145 1.00 44.23 H new ATOM 0 HB3 ASP B 11 -1.246 5.268 -6.461 1.00 44.23 H new ATOM 834 N VAL B 12 -0.359 2.746 -6.884 1.00 55.21 N ATOM 835 CA VAL B 12 -0.592 1.756 -7.929 1.00 52.10 C ATOM 836 C VAL B 12 0.077 0.429 -7.586 1.00 62.40 C ATOM 837 O VAL B 12 -0.352 -0.631 -8.043 1.00 65.11 O ATOM 838 CB VAL B 12 -0.068 2.244 -9.293 1.00 62.05 C ATOM 839 CG1 VAL B 12 1.428 2.514 -9.225 1.00 4.04 C ATOM 840 CG2 VAL B 12 -0.387 1.229 -10.380 1.00 52.34 C ATOM 0 H VAL B 12 0.469 3.324 -7.027 1.00 55.21 H new ATOM 0 HA VAL B 12 -1.670 1.612 -7.993 1.00 52.10 H new ATOM 0 HB VAL B 12 -0.570 3.179 -9.543 1.00 62.05 H new ATOM 0 HG11 VAL B 12 1.780 2.858 -10.198 1.00 4.04 H new ATOM 0 HG12 VAL B 12 1.626 3.281 -8.476 1.00 4.04 H new ATOM 0 HG13 VAL B 12 1.951 1.597 -8.953 1.00 4.04 H new ATOM 0 HG21 VAL B 12 -0.010 1.590 -11.337 1.00 52.34 H new ATOM 0 HG22 VAL B 12 0.086 0.277 -10.139 1.00 52.34 H new ATOM 0 HG23 VAL B 12 -1.466 1.092 -10.444 1.00 52.34 H new ATOM 850 N GLY B 13 1.130 0.494 -6.778 1.00 23.54 N ATOM 851 CA GLY B 13 1.841 -0.710 -6.388 1.00 64.33 C ATOM 852 C GLY B 13 2.632 -1.313 -7.531 1.00 22.53 C ATOM 853 O GLY B 13 2.462 -2.486 -7.862 1.00 53.34 O ATOM 0 H GLY B 13 1.504 1.358 -6.386 1.00 23.54 H new ATOM 0 HA2 GLY B 13 2.517 -0.478 -5.565 1.00 64.33 H new ATOM 0 HA3 GLY B 13 1.127 -1.445 -6.017 1.00 64.33 H new ATOM 857 N SER B 14 3.499 -0.508 -8.139 1.00 21.23 N ATOM 858 CA SER B 14 4.315 -0.969 -9.257 1.00 62.54 C ATOM 859 C SER B 14 5.799 -0.898 -8.911 1.00 73.21 C ATOM 860 O SER B 14 6.650 -0.813 -9.795 1.00 41.54 O ATOM 861 CB SER B 14 4.030 -0.130 -10.503 1.00 5.22 C ATOM 862 OG SER B 14 4.741 -0.624 -11.625 1.00 73.04 O ATOM 0 H SER B 14 3.654 0.465 -7.876 1.00 21.23 H new ATOM 0 HA SER B 14 4.056 -2.008 -9.460 1.00 62.54 H new ATOM 0 HB2 SER B 14 2.961 -0.138 -10.714 1.00 5.22 H new ATOM 0 HB3 SER B 14 4.310 0.907 -10.319 1.00 5.22 H new ATOM 0 HG SER B 14 5.655 -0.856 -11.357 1.00 73.04 H new ATOM 868 N ASN B 15 6.101 -0.934 -7.617 1.00 71.02 N ATOM 869 CA ASN B 15 7.482 -0.873 -7.152 1.00 74.13 C ATOM 870 C ASN B 15 7.927 -2.220 -6.590 1.00 63.30 C ATOM 871 O ASN B 15 9.114 -2.548 -6.599 1.00 52.43 O ATOM 872 CB ASN B 15 7.636 0.214 -6.086 1.00 43.53 C ATOM 873 CG ASN B 15 6.463 0.250 -5.125 1.00 72.21 C ATOM 874 OD1 ASN B 15 6.186 -0.725 -4.428 1.00 20.22 O ATOM 875 ND2 ASN B 15 5.768 1.381 -5.083 1.00 60.13 N ATOM 0 H ASN B 15 5.408 -1.005 -6.872 1.00 71.02 H new ATOM 0 HA ASN B 15 8.116 -0.628 -8.004 1.00 74.13 H new ATOM 0 HB2 ASN B 15 8.556 0.043 -5.527 1.00 43.53 H new ATOM 0 HB3 ASN B 15 7.734 1.185 -6.572 1.00 43.53 H new ATOM 0 HD21 ASN B 15 4.969 1.466 -4.455 1.00 60.13 H new ATOM 0 HD22 ASN B 15 6.033 2.165 -5.679 1.00 60.13 H new ATOM 882 N LYS B 16 6.966 -2.996 -6.101 1.00 43.20 N ATOM 883 CA LYS B 16 7.256 -4.309 -5.536 1.00 54.43 C ATOM 884 C LYS B 16 8.036 -5.168 -6.527 1.00 15.13 C ATOM 885 O LYS B 16 8.925 -5.925 -6.140 1.00 51.12 O ATOM 886 CB LYS B 16 5.957 -5.017 -5.144 1.00 71.21 C ATOM 887 CG LYS B 16 4.973 -5.161 -6.292 1.00 22.40 C ATOM 888 CD LYS B 16 5.117 -6.506 -6.985 1.00 33.51 C ATOM 889 CE LYS B 16 3.813 -7.287 -6.964 1.00 15.53 C ATOM 890 NZ LYS B 16 3.536 -7.869 -5.622 1.00 24.33 N1+ ATOM 0 H LYS B 16 5.979 -2.739 -6.084 1.00 43.20 H new ATOM 0 HA LYS B 16 7.868 -4.166 -4.645 1.00 54.43 H new ATOM 0 HB2 LYS B 16 6.196 -6.007 -4.755 1.00 71.21 H new ATOM 0 HB3 LYS B 16 5.481 -4.463 -4.335 1.00 71.21 H new ATOM 0 HG2 LYS B 16 3.956 -5.051 -5.916 1.00 22.40 H new ATOM 0 HG3 LYS B 16 5.134 -4.360 -7.013 1.00 22.40 H new ATOM 0 HD2 LYS B 16 5.434 -6.353 -8.017 1.00 33.51 H new ATOM 0 HD3 LYS B 16 5.898 -7.087 -6.495 1.00 33.51 H new ATOM 0 HE2 LYS B 16 2.992 -6.630 -7.251 1.00 15.53 H new ATOM 0 HE3 LYS B 16 3.856 -8.086 -7.704 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 2.638 -8.394 -5.650 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 4.307 -8.515 -5.358 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 3.469 -7.105 -4.919 1.00 24.33 H new ATOM 904 N GLY B 17 7.699 -5.041 -7.806 1.00 4.31 N ATOM 905 CA GLY B 17 8.378 -5.811 -8.832 1.00 33.42 C ATOM 906 C GLY B 17 9.884 -5.645 -8.780 1.00 53.42 C ATOM 907 O GLY B 17 10.628 -6.613 -8.936 1.00 43.40 O ATOM 0 H GLY B 17 6.968 -4.419 -8.151 1.00 4.31 H new ATOM 0 HA2 GLY B 17 8.128 -6.865 -8.716 1.00 33.42 H new ATOM 0 HA3 GLY B 17 8.015 -5.503 -9.813 1.00 33.42 H new ATOM 911 N ALA B 18 10.334 -4.414 -8.560 1.00 32.22 N ATOM 912 CA ALA B 18 11.761 -4.124 -8.486 1.00 63.10 C ATOM 913 C ALA B 18 12.404 -4.825 -7.294 1.00 74.14 C ATOM 914 O ALA B 18 13.393 -5.542 -7.442 1.00 4.35 O ATOM 915 CB ALA B 18 11.992 -2.623 -8.406 1.00 33.43 C ATOM 0 H ALA B 18 9.731 -3.602 -8.430 1.00 32.22 H new ATOM 0 HA ALA B 18 12.230 -4.504 -9.393 1.00 63.10 H new ATOM 0 HB1 ALA B 18 13.062 -2.422 -8.351 1.00 33.43 H new ATOM 0 HB2 ALA B 18 11.578 -2.143 -9.293 1.00 33.43 H new ATOM 0 HB3 ALA B 18 11.502 -2.226 -7.517 1.00 33.43 H new ATOM 921 N ILE B 19 11.833 -4.612 -6.112 1.00 3.21 N ATOM 922 CA ILE B 19 12.351 -5.224 -4.895 1.00 42.52 C ATOM 923 C ILE B 19 12.434 -6.741 -5.034 1.00 45.01 C ATOM 924 O ILE B 19 13.509 -7.328 -4.902 1.00 51.23 O ATOM 925 CB ILE B 19 11.475 -4.880 -3.675 1.00 33.45 C ATOM 926 CG1 ILE B 19 11.371 -3.362 -3.508 1.00 32.21 C ATOM 927 CG2 ILE B 19 12.043 -5.519 -2.417 1.00 64.11 C ATOM 928 CD1 ILE B 19 10.386 -2.939 -2.441 1.00 15.41 C ATOM 0 H ILE B 19 11.013 -4.021 -5.972 1.00 3.21 H new ATOM 0 HA ILE B 19 13.351 -4.820 -4.740 1.00 42.52 H new ATOM 0 HB ILE B 19 10.474 -5.279 -3.840 1.00 33.45 H new ATOM 0 HG12 ILE B 19 12.355 -2.963 -3.262 1.00 32.21 H new ATOM 0 HG13 ILE B 19 11.077 -2.919 -4.459 1.00 32.21 H new ATOM 0 HG21 ILE B 19 11.413 -5.266 -1.564 1.00 64.11 H new ATOM 0 HG22 ILE B 19 12.071 -6.602 -2.540 1.00 64.11 H new ATOM 0 HG23 ILE B 19 13.053 -5.147 -2.244 1.00 64.11 H new ATOM 0 HD11 ILE B 19 10.364 -1.851 -2.377 1.00 15.41 H new ATOM 0 HD12 ILE B 19 9.393 -3.308 -2.696 1.00 15.41 H new ATOM 0 HD13 ILE B 19 10.691 -3.353 -1.480 1.00 15.41 H new ATOM 940 N ILE B 20 11.294 -7.368 -5.303 1.00 43.32 N ATOM 941 CA ILE B 20 11.239 -8.816 -5.463 1.00 64.50 C ATOM 942 C ILE B 20 12.219 -9.288 -6.532 1.00 3.13 C ATOM 943 O ILE B 20 12.873 -10.318 -6.378 1.00 61.12 O ATOM 944 CB ILE B 20 9.822 -9.288 -5.836 1.00 12.10 C ATOM 945 CG1 ILE B 20 8.820 -8.861 -4.762 1.00 4.15 C ATOM 946 CG2 ILE B 20 9.798 -10.798 -6.022 1.00 22.15 C ATOM 947 CD1 ILE B 20 9.121 -9.431 -3.394 1.00 15.43 C ATOM 0 H ILE B 20 10.396 -6.897 -5.415 1.00 43.32 H new ATOM 0 HA ILE B 20 11.516 -9.251 -4.502 1.00 64.50 H new ATOM 0 HB ILE B 20 9.536 -8.822 -6.779 1.00 12.10 H new ATOM 0 HG12 ILE B 20 8.809 -7.773 -4.699 1.00 4.15 H new ATOM 0 HG13 ILE B 20 7.820 -9.173 -5.065 1.00 4.15 H new ATOM 0 HG21 ILE B 20 8.789 -11.116 -6.285 1.00 22.15 H new ATOM 0 HG22 ILE B 20 10.486 -11.077 -6.820 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.101 -11.284 -5.094 1.00 22.15 H new ATOM 0 HD11 ILE B 20 8.370 -9.086 -2.683 1.00 15.43 H new ATOM 0 HD12 ILE B 20 9.103 -10.520 -3.442 1.00 15.43 H new ATOM 0 HD13 ILE B 20 10.107 -9.098 -3.070 1.00 15.43 H new ATOM 959 N GLY B 21 12.315 -8.526 -7.618 1.00 73.30 N ATOM 960 CA GLY B 21 13.218 -8.881 -8.697 1.00 11.22 C ATOM 961 C GLY B 21 14.675 -8.748 -8.301 1.00 42.32 C ATOM 962 O GLY B 21 15.548 -9.376 -8.900 1.00 43.00 O ATOM 0 H GLY B 21 11.783 -7.669 -7.769 1.00 73.30 H new ATOM 0 HA2 GLY B 21 13.022 -9.907 -9.008 1.00 11.22 H new ATOM 0 HA3 GLY B 21 13.019 -8.243 -9.558 1.00 11.22 H new ATOM 966 N LEU B 22 14.939 -7.928 -7.289 1.00 1.10 N ATOM 967 CA LEU B 22 16.301 -7.714 -6.815 1.00 63.54 C ATOM 968 C LEU B 22 16.738 -8.839 -5.884 1.00 3.34 C ATOM 969 O LEU B 22 17.860 -9.336 -5.976 1.00 3.31 O ATOM 970 CB LEU B 22 16.405 -6.369 -6.092 1.00 2.22 C ATOM 971 CG LEU B 22 17.113 -6.388 -4.738 1.00 43.13 C ATOM 972 CD1 LEU B 22 18.596 -6.677 -4.915 1.00 35.24 C ATOM 973 CD2 LEU B 22 16.909 -5.068 -4.010 1.00 43.24 C ATOM 0 H LEU B 22 14.228 -7.401 -6.782 1.00 1.10 H new ATOM 0 HA LEU B 22 16.963 -7.707 -7.681 1.00 63.54 H new ATOM 0 HB2 LEU B 22 16.928 -5.669 -6.743 1.00 2.22 H new ATOM 0 HB3 LEU B 22 15.398 -5.978 -5.947 1.00 2.22 H new ATOM 0 HG LEU B 22 16.678 -7.184 -4.134 1.00 43.13 H new ATOM 0 HD11 LEU B 22 19.084 -6.687 -3.940 1.00 35.24 H new ATOM 0 HD12 LEU B 22 18.723 -7.648 -5.394 1.00 35.24 H new ATOM 0 HD13 LEU B 22 19.046 -5.904 -5.538 1.00 35.24 H new ATOM 0 HD21 LEU B 22 17.420 -5.100 -3.048 1.00 43.24 H new ATOM 0 HD22 LEU B 22 17.316 -4.255 -4.610 1.00 43.24 H new ATOM 0 HD23 LEU B 22 15.844 -4.902 -3.849 1.00 43.24 H new ATOM 985 N MET B 23 15.842 -9.239 -4.986 1.00 44.40 N ATOM 986 CA MET B 23 16.133 -10.309 -4.040 1.00 71.22 C ATOM 987 C MET B 23 16.200 -11.659 -4.749 1.00 4.21 C ATOM 988 O MET B 23 17.063 -12.484 -4.452 1.00 74.33 O ATOM 989 CB MET B 23 15.072 -10.350 -2.939 1.00 54.41 C ATOM 990 CG MET B 23 13.657 -10.532 -3.466 1.00 32.30 C ATOM 991 SD MET B 23 12.417 -10.469 -2.160 1.00 4.02 S ATOM 992 CE MET B 23 12.662 -8.806 -1.540 1.00 45.11 C ATOM 0 H MET B 23 14.909 -8.838 -4.894 1.00 44.40 H new ATOM 0 HA MET B 23 17.105 -10.106 -3.590 1.00 71.22 H new ATOM 0 HB2 MET B 23 15.303 -11.165 -2.253 1.00 54.41 H new ATOM 0 HB3 MET B 23 15.121 -9.425 -2.364 1.00 54.41 H new ATOM 0 HG2 MET B 23 13.445 -9.756 -4.201 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.586 -11.489 -3.983 1.00 32.30 H new ATOM 0 HE1 MET B 23 11.701 -8.380 -1.252 1.00 45.11 H new ATOM 0 HE2 MET B 23 13.321 -8.835 -0.672 1.00 45.11 H new ATOM 0 HE3 MET B 23 13.113 -8.190 -2.318 1.00 45.11 H new ATOM 1002 N VAL B 24 15.282 -11.875 -5.686 1.00 14.24 N ATOM 1003 CA VAL B 24 15.237 -13.124 -6.437 1.00 33.43 C ATOM 1004 C VAL B 24 16.400 -13.216 -7.420 1.00 12.43 C ATOM 1005 O VAL B 24 17.120 -14.213 -7.453 1.00 51.14 O ATOM 1006 CB VAL B 24 13.913 -13.266 -7.211 1.00 32.42 C ATOM 1007 CG1 VAL B 24 13.902 -14.556 -8.017 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.730 -13.213 -6.256 1.00 15.54 C ATOM 0 H VAL B 24 14.560 -11.202 -5.943 1.00 14.24 H new ATOM 0 HA VAL B 24 15.313 -13.933 -5.711 1.00 33.43 H new ATOM 0 HB VAL B 24 13.826 -12.431 -7.906 1.00 32.42 H new ATOM 0 HG11 VAL B 24 12.959 -14.639 -8.557 1.00 73.50 H new ATOM 0 HG12 VAL B 24 14.728 -14.548 -8.728 1.00 73.50 H new ATOM 0 HG13 VAL B 24 14.011 -15.406 -7.344 1.00 73.50 H new ATOM 0 HG21 VAL B 24 11.803 -13.315 -6.820 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.808 -14.027 -5.535 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.731 -12.259 -5.728 1.00 15.54 H new ATOM 1018 N GLY B 25 16.577 -12.169 -8.219 1.00 45.24 N ATOM 1019 CA GLY B 25 17.654 -12.152 -9.192 1.00 52.24 C ATOM 1020 C GLY B 25 19.021 -12.260 -8.545 1.00 12.45 C ATOM 1021 O GLY B 25 19.939 -12.851 -9.113 1.00 44.51 O ATOM 0 H GLY B 25 15.994 -11.332 -8.210 1.00 45.24 H new ATOM 0 HA2 GLY B 25 17.520 -12.977 -9.892 1.00 52.24 H new ATOM 0 HA3 GLY B 25 17.601 -11.230 -9.772 1.00 52.24 H new ATOM 1025 N GLY B 26 19.157 -11.687 -7.353 1.00 12.45 N ATOM 1026 CA GLY B 26 20.425 -11.731 -6.650 1.00 62.31 C ATOM 1027 C GLY B 26 20.755 -13.119 -6.134 1.00 71.30 C ATOM 1028 O GLY B 26 21.839 -13.641 -6.387 1.00 64.44 O ATOM 0 H GLY B 26 18.412 -11.193 -6.862 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.219 -11.397 -7.318 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.397 -11.033 -5.813 1.00 62.31 H new ATOM 1032 N VAL B 27 19.815 -13.716 -5.409 1.00 24.11 N ATOM 1033 CA VAL B 27 20.011 -15.051 -4.855 1.00 31.31 C ATOM 1034 C VAL B 27 20.350 -16.055 -5.951 1.00 64.42 C ATOM 1035 O VAL B 27 21.202 -16.925 -5.767 1.00 52.42 O ATOM 1036 CB VAL B 27 18.757 -15.535 -4.102 1.00 22.42 C ATOM 1037 CG1 VAL B 27 18.964 -16.945 -3.571 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.413 -14.577 -2.971 1.00 24.04 C ATOM 0 H VAL B 27 18.911 -13.297 -5.191 1.00 24.11 H new ATOM 0 HA VAL B 27 20.844 -14.985 -4.155 1.00 31.31 H new ATOM 0 HB VAL B 27 17.920 -15.554 -4.800 1.00 22.42 H new ATOM 0 HG11 VAL B 27 18.068 -17.270 -3.042 1.00 14.40 H new ATOM 0 HG12 VAL B 27 19.160 -17.622 -4.403 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.813 -16.955 -2.887 1.00 14.40 H new ATOM 0 HG21 VAL B 27 17.525 -14.934 -2.449 1.00 24.04 H new ATOM 0 HG22 VAL B 27 19.248 -14.525 -2.272 1.00 24.04 H new ATOM 0 HG23 VAL B 27 18.220 -13.585 -3.380 1.00 24.04 H new ATOM 1048 N VAL B 28 19.679 -15.928 -7.091 1.00 44.32 N ATOM 1049 CA VAL B 28 19.912 -16.824 -8.218 1.00 72.25 C ATOM 1050 C VAL B 28 21.338 -16.692 -8.741 1.00 61.12 C ATOM 1051 O VAL B 28 22.088 -17.668 -8.778 1.00 4.12 O ATOM 1052 CB VAL B 28 18.927 -16.545 -9.369 1.00 30.43 C ATOM 1053 CG1 VAL B 28 19.209 -17.462 -10.549 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.491 -16.703 -8.892 1.00 41.34 C ATOM 0 H VAL B 28 18.970 -15.214 -7.259 1.00 44.32 H new ATOM 0 HA VAL B 28 19.755 -17.839 -7.853 1.00 72.25 H new ATOM 0 HB VAL B 28 19.065 -15.515 -9.699 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.503 -17.250 -11.352 1.00 14.03 H new ATOM 0 HG12 VAL B 28 20.225 -17.294 -10.906 1.00 14.03 H new ATOM 0 HG13 VAL B 28 19.101 -18.501 -10.236 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.809 -16.502 -9.718 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.337 -17.721 -8.533 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.297 -16.000 -8.082 1.00 41.34 H new ATOM 1064 N ILE B 29 21.705 -15.480 -9.142 1.00 43.52 N ATOM 1065 CA ILE B 29 23.042 -15.220 -9.661 1.00 61.14 C ATOM 1066 C ILE B 29 24.113 -15.729 -8.701 1.00 31.13 C ATOM 1067 O ILE B 29 25.061 -16.398 -9.111 1.00 42.31 O ATOM 1068 CB ILE B 29 23.266 -13.717 -9.911 1.00 72.21 C ATOM 1069 CG1 ILE B 29 22.243 -13.187 -10.918 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.683 -13.469 -10.408 1.00 30.35 C ATOM 1071 CD1 ILE B 29 21.995 -11.699 -10.800 1.00 25.13 C ATOM 0 H ILE B 29 21.095 -14.663 -9.118 1.00 43.52 H new ATOM 0 HA ILE B 29 23.122 -15.754 -10.608 1.00 61.14 H new ATOM 0 HB ILE B 29 23.132 -13.183 -8.970 1.00 72.21 H new ATOM 0 HG12 ILE B 29 22.589 -13.411 -11.927 1.00 65.04 H new ATOM 0 HG13 ILE B 29 21.300 -13.717 -10.779 1.00 65.04 H new ATOM 0 HG21 ILE B 29 24.827 -12.402 -10.580 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.397 -13.815 -9.660 1.00 30.35 H new ATOM 0 HG23 ILE B 29 24.842 -14.012 -11.340 1.00 30.35 H new ATOM 0 HD11 ILE B 29 21.260 -11.393 -11.544 1.00 25.13 H new ATOM 0 HD12 ILE B 29 21.619 -11.471 -9.803 1.00 25.13 H new ATOM 0 HD13 ILE B 29 22.927 -11.160 -10.968 1.00 25.13 H new ATOM 1083 N ALA B 30 23.952 -15.409 -7.421 1.00 61.53 N ATOM 1084 CA ALA B 30 24.903 -15.838 -6.403 1.00 41.51 C ATOM 1085 C ALA B 30 25.139 -17.343 -6.470 1.00 3.30 C ATOM 1086 O ALA B 30 26.280 -17.800 -6.558 1.00 12.12 O ATOM 1087 CB ALA B 30 24.408 -15.441 -5.020 1.00 34.43 C ATOM 0 H ALA B 30 23.173 -14.855 -7.065 1.00 61.53 H new ATOM 0 HA ALA B 30 25.853 -15.340 -6.595 1.00 41.51 H new ATOM 0 HB1 ALA B 30 25.127 -15.767 -4.269 1.00 34.43 H new ATOM 0 HB2 ALA B 30 24.297 -14.358 -4.970 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.444 -15.913 -4.829 1.00 34.43 H new ATOM 1093 N THR B 31 24.055 -18.110 -6.428 1.00 55.34 N ATOM 1094 CA THR B 31 24.145 -19.564 -6.483 1.00 44.34 C ATOM 1095 C THR B 31 24.781 -20.027 -7.788 1.00 64.05 C ATOM 1096 O THR B 31 25.584 -20.959 -7.803 1.00 32.31 O ATOM 1097 CB THR B 31 22.758 -20.218 -6.341 1.00 71.41 C ATOM 1098 OG1 THR B 31 22.012 -19.568 -5.306 1.00 55.31 O ATOM 1099 CG2 THR B 31 22.888 -21.700 -6.024 1.00 41.44 C ATOM 0 H THR B 31 23.104 -17.749 -6.356 1.00 55.34 H new ATOM 0 HA THR B 31 24.772 -19.873 -5.647 1.00 44.34 H new ATOM 0 HB THR B 31 22.232 -20.110 -7.290 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.656 -18.720 -5.643 1.00 55.31 H new ATOM 0 HG21 THR B 31 21.895 -22.140 -5.928 1.00 41.44 H new ATOM 0 HG22 THR B 31 23.430 -22.198 -6.828 1.00 41.44 H new ATOM 0 HG23 THR B 31 23.432 -21.825 -5.088 1.00 41.44 H new ATOM 1107 N VAL B 32 24.419 -19.367 -8.884 1.00 33.22 N ATOM 1108 CA VAL B 32 24.956 -19.710 -10.196 1.00 10.51 C ATOM 1109 C VAL B 32 26.481 -19.709 -10.183 1.00 44.22 C ATOM 1110 O VAL B 32 27.115 -20.673 -10.612 1.00 21.24 O ATOM 1111 CB VAL B 32 24.463 -18.731 -11.278 1.00 72.41 C ATOM 1112 CG1 VAL B 32 25.058 -19.087 -12.632 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.943 -18.726 -11.339 1.00 1.22 C ATOM 0 H VAL B 32 23.756 -18.592 -8.889 1.00 33.22 H new ATOM 0 HA VAL B 32 24.598 -20.712 -10.432 1.00 10.51 H new ATOM 0 HB VAL B 32 24.797 -17.727 -11.014 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.698 -18.384 -13.384 1.00 30.13 H new ATOM 0 HG12 VAL B 32 26.145 -19.034 -12.577 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.757 -20.098 -12.907 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.612 -18.029 -12.109 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.585 -19.727 -11.578 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.541 -18.418 -10.374 1.00 1.22 H new ATOM 1123 N ILE B 33 27.062 -18.623 -9.687 1.00 33.21 N ATOM 1124 CA ILE B 33 28.512 -18.498 -9.616 1.00 4.21 C ATOM 1125 C ILE B 33 29.112 -19.564 -8.707 1.00 15.44 C ATOM 1126 O ILE B 33 30.112 -20.196 -9.048 1.00 54.11 O ATOM 1127 CB ILE B 33 28.933 -17.107 -9.104 1.00 4.41 C ATOM 1128 CG1 ILE B 33 28.280 -16.009 -9.947 1.00 74.01 C ATOM 1129 CG2 ILE B 33 30.448 -16.969 -9.129 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.681 -16.048 -11.405 1.00 63.23 C ATOM 0 H ILE B 33 26.551 -17.817 -9.328 1.00 33.21 H new ATOM 0 HA ILE B 33 28.890 -18.633 -10.629 1.00 4.21 H new ATOM 0 HB ILE B 33 28.594 -16.999 -8.074 1.00 4.41 H new ATOM 0 HG12 ILE B 33 27.196 -16.102 -9.874 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.545 -15.037 -9.531 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.729 -15.981 -8.764 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.893 -17.732 -8.490 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.808 -17.095 -10.150 1.00 44.25 H new ATOM 0 HD11 ILE B 33 28.181 -15.242 -11.942 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.761 -15.924 -11.489 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.391 -17.006 -11.837 1.00 63.23 H new ATOM 1142 N VAL B 34 28.493 -19.762 -7.547 1.00 65.04 N ATOM 1143 CA VAL B 34 28.964 -20.756 -6.590 1.00 34.20 C ATOM 1144 C VAL B 34 29.091 -22.129 -7.239 1.00 44.13 C ATOM 1145 O VAL B 34 30.151 -22.753 -7.191 1.00 72.22 O ATOM 1146 CB VAL B 34 28.019 -20.859 -5.378 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.570 -21.838 -4.352 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.800 -19.488 -4.754 1.00 24.41 C ATOM 0 H VAL B 34 27.665 -19.247 -7.248 1.00 65.04 H new ATOM 0 HA VAL B 34 29.946 -20.427 -6.250 1.00 34.20 H new ATOM 0 HB VAL B 34 27.055 -21.234 -5.723 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.889 -21.897 -3.503 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.670 -22.824 -4.807 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.547 -21.495 -4.010 1.00 24.53 H new ATOM 0 HG21 VAL B 34 27.130 -19.580 -3.899 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.756 -19.082 -4.424 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.357 -18.819 -5.492 1.00 24.41 H new ATOM 1158 N ILE B 35 28.004 -22.593 -7.847 1.00 3.34 N ATOM 1159 CA ILE B 35 27.995 -23.892 -8.508 1.00 33.00 C ATOM 1160 C ILE B 35 29.026 -23.944 -9.632 1.00 44.55 C ATOM 1161 O ILE B 35 29.680 -24.966 -9.842 1.00 3.43 O ATOM 1162 CB ILE B 35 26.606 -24.219 -9.086 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.553 -24.211 -7.976 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.630 -25.567 -9.790 1.00 51.44 C ATOM 1165 CD1 ILE B 35 24.131 -24.176 -8.491 1.00 34.21 C ATOM 0 H ILE B 35 27.119 -22.089 -7.895 1.00 3.34 H new ATOM 0 HA ILE B 35 28.249 -24.634 -7.751 1.00 33.00 H new ATOM 0 HB ILE B 35 26.343 -23.454 -9.816 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.684 -25.098 -7.356 1.00 20.03 H new ATOM 0 HG13 ILE B 35 25.720 -23.346 -7.335 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.641 -25.784 -10.193 1.00 51.44 H new ATOM 0 HG22 ILE B 35 27.356 -25.540 -10.603 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.911 -26.344 -9.079 1.00 51.44 H new ATOM 0 HD11 ILE B 35 23.439 -24.172 -7.649 1.00 34.21 H new ATOM 0 HD12 ILE B 35 23.982 -23.276 -9.087 1.00 34.21 H new ATOM 0 HD13 ILE B 35 23.946 -25.055 -9.109 1.00 34.21 H new ATOM 1177 N THR B 36 29.167 -22.835 -10.350 1.00 75.45 N ATOM 1178 CA THR B 36 30.118 -22.753 -11.451 1.00 63.13 C ATOM 1179 C THR B 36 31.550 -22.906 -10.953 1.00 60.44 C ATOM 1180 O THR B 36 32.379 -23.547 -11.601 1.00 74.33 O ATOM 1181 CB THR B 36 29.989 -21.418 -12.207 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.666 -21.279 -12.737 1.00 5.23 O ATOM 1183 CG2 THR B 36 31.004 -21.335 -13.337 1.00 0.52 C ATOM 0 H THR B 36 28.634 -21.980 -10.189 1.00 75.45 H new ATOM 0 HA THR B 36 29.884 -23.571 -12.132 1.00 63.13 H new ATOM 0 HB THR B 36 30.185 -20.609 -11.504 1.00 71.44 H new ATOM 0 HG1 THR B 36 28.103 -20.804 -12.091 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.893 -20.383 -13.856 1.00 0.52 H new ATOM 0 HG22 THR B 36 32.011 -21.410 -12.927 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.836 -22.152 -14.038 1.00 0.52 H new ATOM 1191 N LEU B 37 31.837 -22.314 -9.799 1.00 70.42 N ATOM 1192 CA LEU B 37 33.170 -22.385 -9.213 1.00 13.33 C ATOM 1193 C LEU B 37 33.464 -23.790 -8.694 1.00 71.54 C ATOM 1194 O LEU B 37 34.592 -24.273 -8.783 1.00 74.21 O ATOM 1195 CB LEU B 37 33.304 -21.372 -8.074 1.00 42.54 C ATOM 1196 CG LEU B 37 34.498 -21.565 -7.140 1.00 54.52 C ATOM 1197 CD1 LEU B 37 35.309 -20.282 -7.038 1.00 30.11 C ATOM 1198 CD2 LEU B 37 34.031 -22.013 -5.762 1.00 43.10 C ATOM 0 H LEU B 37 31.164 -21.779 -9.250 1.00 70.42 H new ATOM 0 HA LEU B 37 33.894 -22.146 -9.992 1.00 13.33 H new ATOM 0 HB2 LEU B 37 33.366 -20.374 -8.508 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.393 -21.404 -7.477 1.00 42.54 H new ATOM 0 HG LEU B 37 35.138 -22.343 -7.556 1.00 54.52 H new ATOM 0 HD11 LEU B 37 36.155 -20.439 -6.369 1.00 30.11 H new ATOM 0 HD12 LEU B 37 35.675 -20.003 -8.026 1.00 30.11 H new ATOM 0 HD13 LEU B 37 34.679 -19.484 -6.646 1.00 30.11 H new ATOM 0 HD21 LEU B 37 34.895 -22.145 -5.110 1.00 43.10 H new ATOM 0 HD22 LEU B 37 33.369 -21.257 -5.339 1.00 43.10 H new ATOM 0 HD23 LEU B 37 33.494 -22.958 -5.849 1.00 43.10 H new ATOM 1210 N VAL B 38 32.439 -24.442 -8.156 1.00 74.15 N ATOM 1211 CA VAL B 38 32.585 -25.792 -7.627 1.00 2.23 C ATOM 1212 C VAL B 38 32.956 -26.778 -8.730 1.00 45.44 C ATOM 1213 O VAL B 38 33.866 -27.590 -8.570 1.00 14.02 O ATOM 1214 CB VAL B 38 31.291 -26.270 -6.941 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.450 -27.696 -6.434 1.00 20.41 C ATOM 1216 CG2 VAL B 38 30.911 -25.331 -5.806 1.00 31.42 C ATOM 0 H VAL B 38 31.498 -24.057 -8.075 1.00 74.15 H new ATOM 0 HA VAL B 38 33.387 -25.757 -6.890 1.00 2.23 H new ATOM 0 HB VAL B 38 30.486 -26.259 -7.676 1.00 11.23 H new ATOM 0 HG11 VAL B 38 30.526 -28.016 -5.953 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.671 -28.358 -7.272 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.267 -27.737 -5.714 1.00 20.41 H new ATOM 0 HG21 VAL B 38 29.995 -25.684 -5.333 1.00 31.42 H new ATOM 0 HG22 VAL B 38 31.714 -25.307 -5.069 1.00 31.42 H new ATOM 0 HG23 VAL B 38 30.752 -24.328 -6.202 1.00 31.42 H new ATOM 1226 N MET B 39 32.245 -26.699 -9.850 1.00 64.54 N ATOM 1227 CA MET B 39 32.501 -27.583 -10.980 1.00 75.40 C ATOM 1228 C MET B 39 33.854 -27.277 -11.615 1.00 62.05 C ATOM 1229 O MET B 39 34.551 -28.179 -12.081 1.00 45.22 O ATOM 1230 CB MET B 39 31.392 -27.443 -12.026 1.00 30.12 C ATOM 1231 CG MET B 39 31.247 -26.034 -12.575 1.00 4.42 C ATOM 1232 SD MET B 39 29.981 -25.913 -13.853 1.00 62.03 S ATOM 1233 CE MET B 39 30.962 -25.374 -15.251 1.00 5.11 C ATOM 0 H MET B 39 31.488 -26.032 -9.999 1.00 64.54 H new ATOM 0 HA MET B 39 32.516 -28.608 -10.610 1.00 75.40 H new ATOM 0 HB2 MET B 39 31.594 -28.126 -12.851 1.00 30.12 H new ATOM 0 HB3 MET B 39 30.445 -27.750 -11.582 1.00 30.12 H new ATOM 0 HG2 MET B 39 31.000 -25.354 -11.759 1.00 4.42 H new ATOM 0 HG3 MET B 39 32.203 -25.708 -12.984 1.00 4.42 H new ATOM 0 HE1 MET B 39 30.318 -25.254 -16.122 1.00 5.11 H new ATOM 0 HE2 MET B 39 31.437 -24.421 -15.016 1.00 5.11 H new ATOM 0 HE3 MET B 39 31.729 -26.118 -15.466 1.00 5.11 H new ATOM 1243 N LEU B 40 34.220 -25.999 -11.629 1.00 73.54 N ATOM 1244 CA LEU B 40 35.490 -25.574 -12.207 1.00 15.22 C ATOM 1245 C LEU B 40 36.665 -26.154 -11.425 1.00 21.40 C ATOM 1246 O LEU B 40 37.641 -26.625 -12.008 1.00 31.53 O ATOM 1247 CB LEU B 40 35.578 -24.047 -12.225 1.00 21.30 C ATOM 1248 CG LEU B 40 35.765 -23.402 -13.598 1.00 24.04 C ATOM 1249 CD1 LEU B 40 36.946 -24.026 -14.325 1.00 34.54 C ATOM 1250 CD2 LEU B 40 34.496 -23.535 -14.427 1.00 61.34 C ATOM 0 H LEU B 40 33.655 -25.240 -11.247 1.00 73.54 H new ATOM 0 HA LEU B 40 35.539 -25.947 -13.230 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.669 -23.645 -11.778 1.00 21.30 H new ATOM 0 HB3 LEU B 40 36.408 -23.743 -11.587 1.00 21.30 H new ATOM 0 HG LEU B 40 35.972 -22.342 -13.454 1.00 24.04 H new ATOM 0 HD11 LEU B 40 37.063 -23.554 -15.300 1.00 34.54 H new ATOM 0 HD12 LEU B 40 37.853 -23.879 -13.739 1.00 34.54 H new ATOM 0 HD13 LEU B 40 36.769 -25.093 -14.457 1.00 34.54 H new ATOM 0 HD21 LEU B 40 34.647 -23.070 -15.401 1.00 61.34 H new ATOM 0 HD22 LEU B 40 34.258 -24.590 -14.561 1.00 61.34 H new ATOM 0 HD23 LEU B 40 33.672 -23.040 -13.913 1.00 61.34 H new ATOM 1262 N LYS B 41 36.563 -26.116 -10.100 1.00 1.44 N ATOM 1263 CA LYS B 41 37.615 -26.640 -9.237 1.00 5.03 C ATOM 1264 C LYS B 41 37.518 -28.159 -9.123 1.00 34.12 C ATOM 1265 O LYS B 41 38.522 -28.841 -8.916 1.00 50.41 O ATOM 1266 CB LYS B 41 37.524 -26.008 -7.846 1.00 51.44 C ATOM 1267 CG LYS B 41 36.372 -26.537 -7.011 1.00 43.13 C ATOM 1268 CD LYS B 41 36.364 -25.925 -5.620 1.00 25.43 C ATOM 1269 CE LYS B 41 36.151 -24.420 -5.674 1.00 71.12 C ATOM 1270 NZ LYS B 41 37.357 -23.672 -5.224 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.763 -25.728 -9.601 1.00 1.44 H new ATOM 0 HA LYS B 41 38.577 -26.386 -9.683 1.00 5.03 H new ATOM 0 HB2 LYS B 41 38.459 -26.185 -7.314 1.00 51.44 H new ATOM 0 HB3 LYS B 41 37.418 -24.928 -7.953 1.00 51.44 H new ATOM 0 HG2 LYS B 41 35.429 -26.318 -7.511 1.00 43.13 H new ATOM 0 HG3 LYS B 41 36.447 -27.622 -6.932 1.00 43.13 H new ATOM 0 HD2 LYS B 41 35.575 -26.384 -5.024 1.00 25.43 H new ATOM 0 HD3 LYS B 41 37.308 -26.142 -5.120 1.00 25.43 H new ATOM 0 HE2 LYS B 41 35.900 -24.125 -6.693 1.00 71.12 H new ATOM 0 HE3 LYS B 41 35.302 -24.151 -5.046 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 37.171 -22.650 -5.276 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 37.582 -23.934 -4.243 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 38.162 -23.909 -5.839 1.00 71.01 H new ATOM 1284 N LYS B 42 36.305 -28.682 -9.260 1.00 21.54 N ATOM 1285 CA LYS B 42 36.078 -30.120 -9.176 1.00 4.10 C ATOM 1286 C LYS B 42 36.394 -30.801 -10.503 1.00 72.03 C ATOM 1287 O LYS B 42 35.522 -30.946 -11.361 1.00 14.21 O ATOM 1288 CB LYS B 42 34.628 -30.405 -8.776 1.00 31.40 C ATOM 1289 CG LYS B 42 34.295 -31.886 -8.713 1.00 25.41 C ATOM 1290 CD LYS B 42 33.614 -32.249 -7.404 1.00 31.35 C ATOM 1291 CE LYS B 42 33.999 -33.647 -6.945 1.00 35.24 C ATOM 1292 NZ LYS B 42 33.333 -34.701 -7.759 1.00 52.23 N1+ ATOM 0 H LYS B 42 35.463 -28.132 -9.430 1.00 21.54 H new ATOM 0 HA LYS B 42 36.745 -30.524 -8.414 1.00 4.10 H new ATOM 0 HB2 LYS B 42 34.433 -29.956 -7.802 1.00 31.40 H new ATOM 0 HB3 LYS B 42 33.961 -29.921 -9.490 1.00 31.40 H new ATOM 0 HG2 LYS B 42 33.645 -32.150 -9.548 1.00 25.41 H new ATOM 0 HG3 LYS B 42 35.209 -32.470 -8.823 1.00 25.41 H new ATOM 0 HD2 LYS B 42 33.888 -31.525 -6.637 1.00 31.35 H new ATOM 0 HD3 LYS B 42 32.533 -32.190 -7.527 1.00 31.35 H new ATOM 0 HE2 LYS B 42 35.080 -33.766 -7.011 1.00 35.24 H new ATOM 0 HE3 LYS B 42 33.728 -33.772 -5.897 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 33.621 -35.639 -7.415 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 32.301 -34.604 -7.676 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 33.611 -34.597 -8.756 1.00 52.23 H new ATOM 1306 N LYS B 43 37.645 -31.216 -10.668 1.00 0.51 N ATOM 1307 CA LYS B 43 38.076 -31.884 -11.891 1.00 0.04 C ATOM 1308 C LYS B 43 38.040 -33.399 -11.724 1.00 33.40 C ATOM 1309 O LYS B 43 37.194 -34.078 -12.308 1.00 23.41 O ATOM 1310 CB LYS B 43 39.489 -31.434 -12.270 1.00 2.50 C ATOM 1311 CG LYS B 43 39.700 -31.292 -13.767 1.00 4.20 C ATOM 1312 CD LYS B 43 40.582 -30.099 -14.094 1.00 35.43 C ATOM 1313 CE LYS B 43 41.173 -30.209 -15.491 1.00 12.12 C ATOM 1314 NZ LYS B 43 40.121 -30.154 -16.544 1.00 4.51 N1+ ATOM 0 H LYS B 43 38.379 -31.102 -9.969 1.00 0.51 H new ATOM 0 HA LYS B 43 37.387 -31.608 -12.690 1.00 0.04 H new ATOM 0 HB2 LYS B 43 39.698 -30.478 -11.790 1.00 2.50 H new ATOM 0 HB3 LYS B 43 40.208 -32.153 -11.877 1.00 2.50 H new ATOM 0 HG2 LYS B 43 40.156 -32.201 -14.159 1.00 4.20 H new ATOM 0 HG3 LYS B 43 38.736 -31.180 -14.262 1.00 4.20 H new ATOM 0 HD2 LYS B 43 39.999 -29.182 -14.016 1.00 35.43 H new ATOM 0 HD3 LYS B 43 41.387 -30.028 -13.362 1.00 35.43 H new ATOM 0 HE2 LYS B 43 41.887 -29.400 -15.648 1.00 12.12 H new ATOM 0 HE3 LYS B 43 41.726 -31.144 -15.579 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 40.565 -30.215 -17.482 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 39.464 -30.950 -16.420 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 39.598 -29.258 -16.466 1.00 4.51 H new TER 1328 LYS B 43