USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=10 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.059) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 136:sc= -3.49! (180deg=-8.23!) USER MOD Single : A 31 THR OG1 : rot 79:sc= 0.992 USER MOD Single : A 36 THR OG1 : rot 74:sc= 0.826 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.086) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 MET CE :methyl 137:sc= -2.9! (180deg=-7.39!) USER MOD Single : B 31 THR OG1 : rot 79:sc= 1.07 USER MOD Single : B 36 THR OG1 : rot 74:sc= 0.834 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.989 -19.777 19.565 1.00 11.25 N ATOM 2 CA GLY A 1 18.769 -19.001 19.447 1.00 14.02 C ATOM 3 C GLY A 1 18.938 -17.786 18.558 1.00 75.34 C ATOM 4 O GLY A 1 19.044 -16.661 19.045 1.00 54.04 O ATOM 0 H1 GLY A 1 19.821 -20.596 20.183 1.00 11.25 H new ATOM 0 H2 GLY A 1 20.283 -20.108 18.624 1.00 11.25 H new ATOM 0 H3 GLY A 1 20.740 -19.184 19.973 1.00 11.25 H new ATOM 0 HA2 GLY A 1 17.977 -19.634 19.046 1.00 14.02 H new ATOM 0 HA3 GLY A 1 18.449 -18.680 20.438 1.00 14.02 H new ATOM 8 N SER A 2 18.967 -18.013 17.248 1.00 41.23 N ATOM 9 CA SER A 2 19.131 -16.927 16.287 1.00 62.12 C ATOM 10 C SER A 2 18.454 -17.267 14.964 1.00 34.23 C ATOM 11 O SER A 2 17.769 -16.432 14.373 1.00 74.10 O ATOM 12 CB SER A 2 20.616 -16.643 16.056 1.00 34.41 C ATOM 13 OG SER A 2 20.794 -15.504 15.232 1.00 64.14 O ATOM 0 H SER A 2 18.879 -18.938 16.828 1.00 41.23 H new ATOM 0 HA SER A 2 18.658 -16.035 16.698 1.00 62.12 H new ATOM 0 HB2 SER A 2 21.113 -16.485 17.013 1.00 34.41 H new ATOM 0 HB3 SER A 2 21.087 -17.509 15.592 1.00 34.41 H new ATOM 0 HG SER A 2 21.751 -15.342 15.100 1.00 64.14 H new ATOM 19 N GLN A 3 18.650 -18.499 14.505 1.00 64.11 N ATOM 20 CA GLN A 3 18.059 -18.949 13.249 1.00 25.35 C ATOM 21 C GLN A 3 16.539 -18.843 13.295 1.00 30.11 C ATOM 22 O GLN A 3 15.902 -18.470 12.309 1.00 63.41 O ATOM 23 CB GLN A 3 18.474 -20.392 12.955 1.00 12.24 C ATOM 24 CG GLN A 3 19.323 -20.538 11.704 1.00 43.55 C ATOM 25 CD GLN A 3 20.473 -21.508 11.889 1.00 25.24 C ATOM 26 OE1 GLN A 3 21.635 -21.159 11.676 1.00 75.43 O ATOM 27 NE2 GLN A 3 20.156 -22.733 12.288 1.00 11.53 N ATOM 0 H GLN A 3 19.213 -19.203 14.983 1.00 64.11 H new ATOM 0 HA GLN A 3 18.425 -18.303 12.451 1.00 25.35 H new ATOM 0 HB2 GLN A 3 19.029 -20.783 13.808 1.00 12.24 H new ATOM 0 HB3 GLN A 3 17.579 -21.004 12.850 1.00 12.24 H new ATOM 0 HG2 GLN A 3 18.695 -20.878 10.881 1.00 43.55 H new ATOM 0 HG3 GLN A 3 19.718 -19.562 11.422 1.00 43.55 H new ATOM 0 HE21 GLN A 3 19.180 -22.979 12.453 1.00 11.53 H new ATOM 0 HE22 GLN A 3 20.888 -23.429 12.430 1.00 11.53 H new ATOM 36 N LYS A 4 15.962 -19.174 14.445 1.00 34.01 N ATOM 37 CA LYS A 4 14.516 -19.115 14.621 1.00 71.41 C ATOM 38 C LYS A 4 14.027 -17.669 14.632 1.00 4.12 C ATOM 39 O LYS A 4 12.933 -17.370 14.153 1.00 62.12 O ATOM 40 CB LYS A 4 14.110 -19.812 15.922 1.00 53.43 C ATOM 41 CG LYS A 4 13.858 -21.301 15.761 1.00 71.34 C ATOM 42 CD LYS A 4 12.782 -21.791 16.714 1.00 70.40 C ATOM 43 CE LYS A 4 11.978 -22.931 16.108 1.00 3.43 C ATOM 44 NZ LYS A 4 10.511 -22.710 16.245 1.00 50.43 N1+ ATOM 0 H LYS A 4 16.474 -19.486 15.270 1.00 34.01 H new ATOM 0 HA LYS A 4 14.052 -19.631 13.780 1.00 71.41 H new ATOM 0 HB2 LYS A 4 14.894 -19.663 16.664 1.00 53.43 H new ATOM 0 HB3 LYS A 4 13.208 -19.339 16.312 1.00 53.43 H new ATOM 0 HG2 LYS A 4 13.559 -21.511 14.734 1.00 71.34 H new ATOM 0 HG3 LYS A 4 14.783 -21.849 15.942 1.00 71.34 H new ATOM 0 HD2 LYS A 4 13.242 -22.123 17.644 1.00 70.40 H new ATOM 0 HD3 LYS A 4 12.114 -20.967 16.965 1.00 70.40 H new ATOM 0 HE2 LYS A 4 12.233 -23.034 15.053 1.00 3.43 H new ATOM 0 HE3 LYS A 4 12.251 -23.867 16.595 1.00 3.43 H new ATOM 0 HZ1 LYS A 4 9.998 -23.509 15.820 1.00 50.43 H new ATOM 0 HZ2 LYS A 4 10.264 -22.637 17.252 1.00 50.43 H new ATOM 0 HZ3 LYS A 4 10.246 -21.830 15.758 1.00 50.43 H new ATOM 58 N LEU A 5 14.845 -16.778 15.181 1.00 55.13 N ATOM 59 CA LEU A 5 14.496 -15.363 15.254 1.00 10.52 C ATOM 60 C LEU A 5 14.296 -14.779 13.859 1.00 65.40 C ATOM 61 O LEU A 5 13.273 -14.157 13.576 1.00 20.14 O ATOM 62 CB LEU A 5 15.588 -14.587 15.992 1.00 12.44 C ATOM 63 CG LEU A 5 15.167 -13.244 16.589 1.00 23.50 C ATOM 64 CD1 LEU A 5 14.941 -13.372 18.088 1.00 23.30 C ATOM 65 CD2 LEU A 5 16.215 -12.179 16.295 1.00 0.21 C ATOM 0 H LEU A 5 15.754 -17.010 15.582 1.00 55.13 H new ATOM 0 HA LEU A 5 13.559 -15.272 15.803 1.00 10.52 H new ATOM 0 HB2 LEU A 5 15.973 -15.215 16.796 1.00 12.44 H new ATOM 0 HB3 LEU A 5 16.413 -14.413 15.301 1.00 12.44 H new ATOM 0 HG LEU A 5 14.228 -12.941 16.126 1.00 23.50 H new ATOM 0 HD11 LEU A 5 14.642 -12.406 18.495 1.00 23.30 H new ATOM 0 HD12 LEU A 5 14.155 -14.104 18.276 1.00 23.30 H new ATOM 0 HD13 LEU A 5 15.863 -13.698 18.568 1.00 23.30 H new ATOM 0 HD21 LEU A 5 15.900 -11.229 16.727 1.00 0.21 H new ATOM 0 HD22 LEU A 5 17.169 -12.477 16.731 1.00 0.21 H new ATOM 0 HD23 LEU A 5 16.328 -12.067 15.217 1.00 0.21 H new ATOM 77 N VAL A 6 15.280 -14.987 12.989 1.00 34.42 N ATOM 78 CA VAL A 6 15.211 -14.484 11.623 1.00 12.01 C ATOM 79 C VAL A 6 14.208 -15.280 10.794 1.00 52.44 C ATOM 80 O VAL A 6 13.581 -14.746 9.879 1.00 23.24 O ATOM 81 CB VAL A 6 16.588 -14.541 10.934 1.00 34.54 C ATOM 82 CG1 VAL A 6 17.049 -15.982 10.778 1.00 2.52 C ATOM 83 CG2 VAL A 6 16.537 -13.840 9.584 1.00 33.41 C ATOM 0 H VAL A 6 16.134 -15.500 13.207 1.00 34.42 H new ATOM 0 HA VAL A 6 14.885 -13.446 11.684 1.00 12.01 H new ATOM 0 HB VAL A 6 17.311 -14.020 11.562 1.00 34.54 H new ATOM 0 HG11 VAL A 6 18.023 -16.001 10.289 1.00 2.52 H new ATOM 0 HG12 VAL A 6 17.126 -16.448 11.760 1.00 2.52 H new ATOM 0 HG13 VAL A 6 16.328 -16.531 10.172 1.00 2.52 H new ATOM 0 HG21 VAL A 6 17.518 -13.890 9.111 1.00 33.41 H new ATOM 0 HG22 VAL A 6 15.802 -14.331 8.947 1.00 33.41 H new ATOM 0 HG23 VAL A 6 16.255 -12.797 9.726 1.00 33.41 H new ATOM 93 N PHE A 7 14.060 -16.559 11.123 1.00 61.44 N ATOM 94 CA PHE A 7 13.133 -17.429 10.409 1.00 32.21 C ATOM 95 C PHE A 7 11.714 -16.872 10.463 1.00 61.02 C ATOM 96 O PHE A 7 10.904 -17.118 9.568 1.00 45.44 O ATOM 97 CB PHE A 7 13.164 -18.839 11.004 1.00 73.41 C ATOM 98 CG PHE A 7 12.234 -19.799 10.317 1.00 71.22 C ATOM 99 CD1 PHE A 7 12.637 -20.482 9.181 1.00 62.31 C ATOM 100 CD2 PHE A 7 10.957 -20.018 10.808 1.00 4.31 C ATOM 101 CE1 PHE A 7 11.785 -21.366 8.547 1.00 73.50 C ATOM 102 CE2 PHE A 7 10.100 -20.901 10.178 1.00 31.22 C ATOM 103 CZ PHE A 7 10.513 -21.575 9.047 1.00 75.42 C ATOM 0 H PHE A 7 14.570 -17.016 11.879 1.00 61.44 H new ATOM 0 HA PHE A 7 13.446 -17.475 9.366 1.00 32.21 H new ATOM 0 HB2 PHE A 7 14.181 -19.227 10.947 1.00 73.41 H new ATOM 0 HB3 PHE A 7 12.902 -18.785 12.061 1.00 73.41 H new ATOM 0 HD1 PHE A 7 13.629 -20.322 8.786 1.00 62.31 H new ATOM 0 HD2 PHE A 7 10.628 -19.493 11.693 1.00 4.31 H new ATOM 0 HE1 PHE A 7 12.112 -21.893 7.663 1.00 73.50 H new ATOM 0 HE2 PHE A 7 9.107 -21.063 10.571 1.00 31.22 H new ATOM 0 HZ PHE A 7 9.844 -22.264 8.553 1.00 75.42 H new ATOM 113 N PHE A 8 11.418 -16.122 11.520 1.00 13.13 N ATOM 114 CA PHE A 8 10.097 -15.531 11.692 1.00 30.33 C ATOM 115 C PHE A 8 9.883 -14.382 10.711 1.00 54.30 C ATOM 116 O PHE A 8 8.886 -14.347 9.989 1.00 44.05 O ATOM 117 CB PHE A 8 9.922 -15.029 13.127 1.00 30.20 C ATOM 118 CG PHE A 8 8.486 -14.889 13.543 1.00 54.04 C ATOM 119 CD1 PHE A 8 7.695 -16.010 13.739 1.00 52.31 C ATOM 120 CD2 PHE A 8 7.927 -13.637 13.737 1.00 24.35 C ATOM 121 CE1 PHE A 8 6.373 -15.885 14.122 1.00 55.13 C ATOM 122 CE2 PHE A 8 6.606 -13.506 14.121 1.00 75.13 C ATOM 123 CZ PHE A 8 5.827 -14.630 14.313 1.00 21.42 C ATOM 0 H PHE A 8 12.076 -15.910 12.270 1.00 13.13 H new ATOM 0 HA PHE A 8 9.353 -16.302 11.490 1.00 30.33 H new ATOM 0 HB2 PHE A 8 10.423 -15.717 13.808 1.00 30.20 H new ATOM 0 HB3 PHE A 8 10.417 -14.063 13.228 1.00 30.20 H new ATOM 0 HD1 PHE A 8 8.117 -16.993 13.591 1.00 52.31 H new ATOM 0 HD2 PHE A 8 8.530 -12.754 13.587 1.00 24.35 H new ATOM 0 HE1 PHE A 8 5.768 -16.767 14.272 1.00 55.13 H new ATOM 0 HE2 PHE A 8 6.183 -12.524 14.271 1.00 75.13 H new ATOM 0 HZ PHE A 8 4.794 -14.528 14.612 1.00 21.42 H new ATOM 133 N ALA A 9 10.824 -13.444 10.692 1.00 21.40 N ATOM 134 CA ALA A 9 10.739 -12.296 9.799 1.00 62.33 C ATOM 135 C ALA A 9 10.562 -12.738 8.350 1.00 0.01 C ATOM 136 O ALA A 9 9.824 -12.114 7.587 1.00 3.14 O ATOM 137 CB ALA A 9 11.980 -11.426 9.938 1.00 22.01 C ATOM 0 H ALA A 9 11.654 -13.457 11.285 1.00 21.40 H new ATOM 0 HA ALA A 9 9.864 -11.711 10.083 1.00 62.33 H new ATOM 0 HB1 ALA A 9 11.903 -10.572 9.265 1.00 22.01 H new ATOM 0 HB2 ALA A 9 12.063 -11.072 10.966 1.00 22.01 H new ATOM 0 HB3 ALA A 9 12.864 -12.010 9.683 1.00 22.01 H new ATOM 143 N GLU A 10 11.242 -13.817 7.978 1.00 15.33 N ATOM 144 CA GLU A 10 11.160 -14.340 6.619 1.00 73.03 C ATOM 145 C GLU A 10 9.850 -15.094 6.405 1.00 31.35 C ATOM 146 O GLU A 10 9.346 -15.179 5.285 1.00 53.40 O ATOM 147 CB GLU A 10 12.345 -15.264 6.332 1.00 4.11 C ATOM 148 CG GLU A 10 13.141 -14.868 5.099 1.00 14.13 C ATOM 149 CD GLU A 10 14.262 -15.841 4.791 1.00 72.25 C ATOM 150 OE1 GLU A 10 14.400 -16.838 5.530 1.00 34.34 O ATOM 151 OE2 GLU A 10 15.000 -15.605 3.812 1.00 53.30 O1- ATOM 0 H GLU A 10 11.856 -14.346 8.598 1.00 15.33 H new ATOM 0 HA GLU A 10 11.191 -13.496 5.930 1.00 73.03 H new ATOM 0 HB2 GLU A 10 13.009 -15.269 7.197 1.00 4.11 H new ATOM 0 HB3 GLU A 10 11.978 -16.283 6.206 1.00 4.11 H new ATOM 0 HG2 GLU A 10 12.470 -14.809 4.242 1.00 14.13 H new ATOM 0 HG3 GLU A 10 13.559 -13.872 5.246 1.00 14.13 H new ATOM 158 N ASP A 11 9.305 -15.639 7.487 1.00 31.13 N ATOM 159 CA ASP A 11 8.054 -16.386 7.419 1.00 4.32 C ATOM 160 C ASP A 11 6.870 -15.446 7.217 1.00 44.41 C ATOM 161 O ASP A 11 6.082 -15.613 6.286 1.00 63.24 O ATOM 162 CB ASP A 11 7.857 -17.208 8.693 1.00 22.41 C ATOM 163 CG ASP A 11 6.565 -18.003 8.676 1.00 42.04 C ATOM 164 OD1 ASP A 11 6.285 -18.656 7.648 1.00 35.13 O ATOM 165 OD2 ASP A 11 5.836 -17.972 9.689 1.00 31.23 O1- ATOM 0 H ASP A 11 9.709 -15.578 8.421 1.00 31.13 H new ATOM 0 HA ASP A 11 8.108 -17.061 6.565 1.00 4.32 H new ATOM 0 HB2 ASP A 11 8.698 -17.890 8.815 1.00 22.41 H new ATOM 0 HB3 ASP A 11 7.859 -16.542 9.556 1.00 22.41 H new ATOM 170 N VAL A 12 6.751 -14.455 8.096 1.00 72.41 N ATOM 171 CA VAL A 12 5.664 -13.487 8.015 1.00 13.34 C ATOM 172 C VAL A 12 5.880 -12.513 6.863 1.00 74.41 C ATOM 173 O VAL A 12 4.925 -11.987 6.293 1.00 11.12 O ATOM 174 CB VAL A 12 5.521 -12.692 9.326 1.00 54.10 C ATOM 175 CG1 VAL A 12 6.830 -12.002 9.678 1.00 70.11 C ATOM 176 CG2 VAL A 12 4.390 -11.681 9.215 1.00 40.34 C ATOM 0 H VAL A 12 7.395 -14.302 8.872 1.00 72.41 H new ATOM 0 HA VAL A 12 4.749 -14.053 7.841 1.00 13.34 H new ATOM 0 HB VAL A 12 5.278 -13.389 10.128 1.00 54.10 H new ATOM 0 HG11 VAL A 12 6.709 -11.445 10.607 1.00 70.11 H new ATOM 0 HG12 VAL A 12 7.614 -12.750 9.802 1.00 70.11 H new ATOM 0 HG13 VAL A 12 7.106 -11.316 8.877 1.00 70.11 H new ATOM 0 HG21 VAL A 12 4.303 -11.128 10.150 1.00 40.34 H new ATOM 0 HG22 VAL A 12 4.601 -10.987 8.401 1.00 40.34 H new ATOM 0 HG23 VAL A 12 3.454 -12.202 9.014 1.00 40.34 H new ATOM 186 N GLY A 13 7.145 -12.277 6.525 1.00 32.11 N ATOM 187 CA GLY A 13 7.465 -11.366 5.442 1.00 10.34 C ATOM 188 C GLY A 13 6.867 -9.987 5.648 1.00 31.51 C ATOM 189 O GLY A 13 6.292 -9.408 4.726 1.00 53.01 O ATOM 0 H GLY A 13 7.953 -12.700 6.982 1.00 32.11 H new ATOM 0 HA2 GLY A 13 8.548 -11.279 5.352 1.00 10.34 H new ATOM 0 HA3 GLY A 13 7.099 -11.781 4.503 1.00 10.34 H new ATOM 193 N SER A 14 7.003 -9.462 6.861 1.00 64.01 N ATOM 194 CA SER A 14 6.468 -8.145 7.187 1.00 72.24 C ATOM 195 C SER A 14 7.594 -7.160 7.488 1.00 14.33 C ATOM 196 O SER A 14 7.696 -6.107 6.859 1.00 12.44 O ATOM 197 CB SER A 14 5.523 -8.238 8.387 1.00 33.22 C ATOM 198 OG SER A 14 4.174 -8.345 7.965 1.00 4.23 O ATOM 0 H SER A 14 7.479 -9.928 7.634 1.00 64.01 H new ATOM 0 HA SER A 14 5.912 -7.782 6.322 1.00 72.24 H new ATOM 0 HB2 SER A 14 5.787 -9.103 8.996 1.00 33.22 H new ATOM 0 HB3 SER A 14 5.642 -7.356 9.017 1.00 33.22 H new ATOM 0 HG SER A 14 3.590 -8.405 8.749 1.00 4.23 H new ATOM 204 N ASN A 15 8.436 -7.511 8.454 1.00 13.04 N ATOM 205 CA ASN A 15 9.554 -6.658 8.840 1.00 44.44 C ATOM 206 C ASN A 15 10.386 -6.268 7.621 1.00 23.11 C ATOM 207 O ASN A 15 10.710 -7.108 6.782 1.00 15.45 O ATOM 208 CB ASN A 15 10.436 -7.372 9.867 1.00 40.44 C ATOM 209 CG ASN A 15 9.658 -7.813 11.091 1.00 52.54 C ATOM 210 OD1 ASN A 15 9.154 -6.987 11.851 1.00 71.43 O ATOM 211 ND2 ASN A 15 9.555 -9.123 11.285 1.00 61.13 N ATOM 0 H ASN A 15 8.366 -8.380 8.984 1.00 13.04 H new ATOM 0 HA ASN A 15 9.149 -5.750 9.287 1.00 44.44 H new ATOM 0 HB2 ASN A 15 10.899 -8.242 9.402 1.00 40.44 H new ATOM 0 HB3 ASN A 15 11.243 -6.707 10.173 1.00 40.44 H new ATOM 0 HD21 ASN A 15 9.042 -9.480 12.091 1.00 61.13 H new ATOM 0 HD22 ASN A 15 9.989 -9.772 10.628 1.00 61.13 H new ATOM 218 N LYS A 16 10.730 -4.988 7.533 1.00 61.12 N ATOM 219 CA LYS A 16 11.526 -4.485 6.419 1.00 50.41 C ATOM 220 C LYS A 16 12.956 -5.013 6.489 1.00 20.34 C ATOM 221 O LYS A 16 13.600 -5.226 5.463 1.00 44.32 O ATOM 222 CB LYS A 16 11.537 -2.955 6.423 1.00 21.41 C ATOM 223 CG LYS A 16 11.386 -2.342 5.042 1.00 24.12 C ATOM 224 CD LYS A 16 9.944 -1.960 4.755 1.00 0.21 C ATOM 225 CE LYS A 16 9.715 -1.719 3.270 1.00 50.40 C ATOM 226 NZ LYS A 16 8.269 -1.552 2.952 1.00 35.21 N1+ ATOM 0 H LYS A 16 10.470 -4.280 8.219 1.00 61.12 H new ATOM 0 HA LYS A 16 11.072 -4.837 5.493 1.00 50.41 H new ATOM 0 HB2 LYS A 16 10.729 -2.596 7.061 1.00 21.41 H new ATOM 0 HB3 LYS A 16 12.471 -2.608 6.865 1.00 21.41 H new ATOM 0 HG2 LYS A 16 12.020 -1.458 4.964 1.00 24.12 H new ATOM 0 HG3 LYS A 16 11.732 -3.050 4.289 1.00 24.12 H new ATOM 0 HD2 LYS A 16 9.281 -2.752 5.102 1.00 0.21 H new ATOM 0 HD3 LYS A 16 9.687 -1.061 5.314 1.00 0.21 H new ATOM 0 HE2 LYS A 16 10.261 -0.828 2.958 1.00 50.40 H new ATOM 0 HE3 LYS A 16 10.118 -2.556 2.700 1.00 50.40 H new ATOM 0 HZ1 LYS A 16 8.155 -1.390 1.931 1.00 35.21 H new ATOM 0 HZ2 LYS A 16 7.752 -2.412 3.226 1.00 35.21 H new ATOM 0 HZ3 LYS A 16 7.890 -0.738 3.476 1.00 35.21 H new ATOM 240 N GLY A 17 13.445 -5.225 7.708 1.00 3.15 N ATOM 241 CA GLY A 17 14.794 -5.728 7.888 1.00 12.24 C ATOM 242 C GLY A 17 15.054 -6.989 7.086 1.00 32.33 C ATOM 243 O GLY A 17 16.101 -7.125 6.456 1.00 73.32 O ATOM 0 H GLY A 17 12.931 -5.057 8.573 1.00 3.15 H new ATOM 0 HA2 GLY A 17 15.508 -4.959 7.592 1.00 12.24 H new ATOM 0 HA3 GLY A 17 14.965 -5.932 8.945 1.00 12.24 H new ATOM 247 N ALA A 18 14.100 -7.912 7.114 1.00 53.03 N ATOM 248 CA ALA A 18 14.231 -9.168 6.384 1.00 61.03 C ATOM 249 C ALA A 18 14.369 -8.920 4.885 1.00 74.44 C ATOM 250 O ALA A 18 15.264 -9.463 4.237 1.00 34.51 O ATOM 251 CB ALA A 18 13.037 -10.069 6.664 1.00 63.03 C ATOM 0 H ALA A 18 13.228 -7.815 7.634 1.00 53.03 H new ATOM 0 HA ALA A 18 15.137 -9.667 6.728 1.00 61.03 H new ATOM 0 HB1 ALA A 18 13.148 -11.003 6.113 1.00 63.03 H new ATOM 0 HB2 ALA A 18 12.985 -10.282 7.732 1.00 63.03 H new ATOM 0 HB3 ALA A 18 12.122 -9.568 6.349 1.00 63.03 H new ATOM 257 N ILE A 19 13.478 -8.098 4.341 1.00 42.43 N ATOM 258 CA ILE A 19 13.503 -7.779 2.920 1.00 61.23 C ATOM 259 C ILE A 19 14.854 -7.208 2.507 1.00 4.34 C ATOM 260 O ILE A 19 15.530 -7.755 1.636 1.00 31.10 O ATOM 261 CB ILE A 19 12.398 -6.772 2.550 1.00 5.04 C ATOM 262 CG1 ILE A 19 11.025 -7.317 2.951 1.00 33.14 C ATOM 263 CG2 ILE A 19 12.437 -6.465 1.060 1.00 12.50 C ATOM 264 CD1 ILE A 19 10.659 -8.607 2.252 1.00 34.32 C ATOM 0 H ILE A 19 12.730 -7.641 4.863 1.00 42.43 H new ATOM 0 HA ILE A 19 13.328 -8.712 2.385 1.00 61.23 H new ATOM 0 HB ILE A 19 12.574 -5.846 3.097 1.00 5.04 H new ATOM 0 HG12 ILE A 19 11.008 -7.480 4.029 1.00 33.14 H new ATOM 0 HG13 ILE A 19 10.266 -6.566 2.730 1.00 33.14 H new ATOM 0 HG21 ILE A 19 11.650 -5.752 0.815 1.00 12.50 H new ATOM 0 HG22 ILE A 19 13.406 -6.039 0.802 1.00 12.50 H new ATOM 0 HG23 ILE A 19 12.283 -7.384 0.495 1.00 12.50 H new ATOM 0 HD11 ILE A 19 9.674 -8.934 2.585 1.00 34.32 H new ATOM 0 HD12 ILE A 19 10.643 -8.445 1.174 1.00 34.32 H new ATOM 0 HD13 ILE A 19 11.396 -9.373 2.493 1.00 34.32 H new ATOM 276 N ILE A 20 15.243 -6.107 3.141 1.00 30.40 N ATOM 277 CA ILE A 20 16.516 -5.463 2.842 1.00 44.42 C ATOM 278 C ILE A 20 17.679 -6.435 3.016 1.00 63.42 C ATOM 279 O ILE A 20 18.502 -6.601 2.119 1.00 73.05 O ATOM 280 CB ILE A 20 16.751 -4.234 3.740 1.00 2.11 C ATOM 281 CG1 ILE A 20 15.637 -3.205 3.535 1.00 52.20 C ATOM 282 CG2 ILE A 20 18.110 -3.616 3.448 1.00 31.43 C ATOM 283 CD1 ILE A 20 15.569 -2.660 2.126 1.00 64.21 C ATOM 0 H ILE A 20 14.695 -5.642 3.865 1.00 30.40 H new ATOM 0 HA ILE A 20 16.468 -5.139 1.802 1.00 44.42 H new ATOM 0 HB ILE A 20 16.736 -4.556 4.781 1.00 2.11 H new ATOM 0 HG12 ILE A 20 14.680 -3.663 3.785 1.00 52.20 H new ATOM 0 HG13 ILE A 20 15.786 -2.378 4.229 1.00 52.20 H new ATOM 0 HG21 ILE A 20 18.261 -2.749 4.091 1.00 31.43 H new ATOM 0 HG22 ILE A 20 18.892 -4.350 3.640 1.00 31.43 H new ATOM 0 HG23 ILE A 20 18.152 -3.306 2.404 1.00 31.43 H new ATOM 0 HD11 ILE A 20 14.757 -1.937 2.054 1.00 64.21 H new ATOM 0 HD12 ILE A 20 16.512 -2.172 1.879 1.00 64.21 H new ATOM 0 HD13 ILE A 20 15.389 -3.478 1.428 1.00 64.21 H new ATOM 295 N GLY A 21 17.736 -7.077 4.179 1.00 22.54 N ATOM 296 CA GLY A 21 18.800 -8.027 4.451 1.00 44.04 C ATOM 297 C GLY A 21 18.902 -9.101 3.386 1.00 53.33 C ATOM 298 O GLY A 21 19.984 -9.632 3.132 1.00 64.43 O ATOM 0 H GLY A 21 17.065 -6.956 4.938 1.00 22.54 H new ATOM 0 HA2 GLY A 21 19.749 -7.496 4.519 1.00 44.04 H new ATOM 0 HA3 GLY A 21 18.626 -8.495 5.420 1.00 44.04 H new ATOM 302 N LEU A 22 17.774 -9.424 2.764 1.00 15.25 N ATOM 303 CA LEU A 22 17.741 -10.445 1.721 1.00 52.43 C ATOM 304 C LEU A 22 18.375 -9.929 0.434 1.00 55.44 C ATOM 305 O LEU A 22 19.290 -10.548 -0.110 1.00 50.40 O ATOM 306 CB LEU A 22 16.300 -10.882 1.454 1.00 21.11 C ATOM 307 CG LEU A 22 15.927 -12.289 1.922 1.00 70.30 C ATOM 308 CD1 LEU A 22 14.437 -12.534 1.742 1.00 35.13 C ATOM 309 CD2 LEU A 22 16.736 -13.334 1.165 1.00 11.34 C ATOM 0 H LEU A 22 16.870 -8.995 2.963 1.00 15.25 H new ATOM 0 HA LEU A 22 18.316 -11.303 2.068 1.00 52.43 H new ATOM 0 HB2 LEU A 22 15.630 -10.171 1.938 1.00 21.11 H new ATOM 0 HB3 LEU A 22 16.114 -10.816 0.382 1.00 21.11 H new ATOM 0 HG LEU A 22 16.163 -12.373 2.983 1.00 70.30 H new ATOM 0 HD11 LEU A 22 14.190 -13.540 2.080 1.00 35.13 H new ATOM 0 HD12 LEU A 22 13.875 -11.806 2.328 1.00 35.13 H new ATOM 0 HD13 LEU A 22 14.176 -12.431 0.689 1.00 35.13 H new ATOM 0 HD21 LEU A 22 16.458 -14.330 1.510 1.00 11.34 H new ATOM 0 HD22 LEU A 22 16.531 -13.250 0.098 1.00 11.34 H new ATOM 0 HD23 LEU A 22 17.799 -13.171 1.344 1.00 11.34 H new ATOM 321 N MET A 23 17.883 -8.792 -0.047 1.00 71.42 N ATOM 322 CA MET A 23 18.405 -8.191 -1.270 1.00 34.30 C ATOM 323 C MET A 23 19.876 -7.819 -1.108 1.00 73.54 C ATOM 324 O MET A 23 20.678 -8.003 -2.024 1.00 1.21 O ATOM 325 CB MET A 23 17.592 -6.950 -1.641 1.00 74.21 C ATOM 326 CG MET A 23 17.497 -5.928 -0.520 1.00 4.22 C ATOM 327 SD MET A 23 16.499 -4.495 -0.970 1.00 2.32 S ATOM 328 CE MET A 23 14.913 -5.269 -1.274 1.00 22.53 C ATOM 0 H MET A 23 17.125 -8.269 0.390 1.00 71.42 H new ATOM 0 HA MET A 23 18.320 -8.925 -2.071 1.00 34.30 H new ATOM 0 HB2 MET A 23 18.043 -6.478 -2.514 1.00 74.21 H new ATOM 0 HB3 MET A 23 16.586 -7.257 -1.928 1.00 74.21 H new ATOM 0 HG2 MET A 23 17.068 -6.402 0.363 1.00 4.22 H new ATOM 0 HG3 MET A 23 18.500 -5.597 -0.249 1.00 4.22 H new ATOM 0 HE1 MET A 23 14.124 -4.674 -0.814 1.00 22.53 H new ATOM 0 HE2 MET A 23 14.740 -5.333 -2.348 1.00 22.53 H new ATOM 0 HE3 MET A 23 14.909 -6.271 -0.845 1.00 22.53 H new ATOM 338 N VAL A 24 20.224 -7.295 0.063 1.00 51.45 N ATOM 339 CA VAL A 24 21.598 -6.898 0.344 1.00 14.03 C ATOM 340 C VAL A 24 22.522 -8.110 0.395 1.00 22.43 C ATOM 341 O VAL A 24 23.549 -8.150 -0.281 1.00 71.34 O ATOM 342 CB VAL A 24 21.700 -6.133 1.677 1.00 53.33 C ATOM 343 CG1 VAL A 24 23.145 -5.755 1.968 1.00 61.54 C ATOM 344 CG2 VAL A 24 20.811 -4.898 1.652 1.00 2.15 C ATOM 0 H VAL A 24 19.573 -7.136 0.832 1.00 51.45 H new ATOM 0 HA VAL A 24 21.909 -6.241 -0.469 1.00 14.03 H new ATOM 0 HB VAL A 24 21.353 -6.786 2.478 1.00 53.33 H new ATOM 0 HG11 VAL A 24 23.197 -5.215 2.914 1.00 61.54 H new ATOM 0 HG12 VAL A 24 23.752 -6.658 2.032 1.00 61.54 H new ATOM 0 HG13 VAL A 24 23.523 -5.120 1.167 1.00 61.54 H new ATOM 0 HG21 VAL A 24 20.895 -4.370 2.602 1.00 2.15 H new ATOM 0 HG22 VAL A 24 21.125 -4.240 0.842 1.00 2.15 H new ATOM 0 HG23 VAL A 24 19.775 -5.199 1.495 1.00 2.15 H new ATOM 354 N GLY A 25 22.147 -9.099 1.200 1.00 44.21 N ATOM 355 CA GLY A 25 22.952 -10.301 1.324 1.00 65.53 C ATOM 356 C GLY A 25 23.177 -10.986 -0.008 1.00 70.22 C ATOM 357 O GLY A 25 24.290 -11.414 -0.313 1.00 53.54 O ATOM 0 H GLY A 25 21.300 -9.090 1.769 1.00 44.21 H new ATOM 0 HA2 GLY A 25 23.915 -10.046 1.765 1.00 65.53 H new ATOM 0 HA3 GLY A 25 22.462 -10.994 2.008 1.00 65.53 H new ATOM 361 N GLY A 26 22.119 -11.093 -0.805 1.00 54.21 N ATOM 362 CA GLY A 26 22.228 -11.736 -2.101 1.00 74.34 C ATOM 363 C GLY A 26 23.196 -11.021 -3.022 1.00 71.24 C ATOM 364 O GLY A 26 24.018 -11.655 -3.685 1.00 23.22 O ATOM 0 H GLY A 26 21.188 -10.746 -0.576 1.00 54.21 H new ATOM 0 HA2 GLY A 26 22.554 -12.767 -1.965 1.00 74.34 H new ATOM 0 HA3 GLY A 26 21.244 -11.772 -2.569 1.00 74.34 H new ATOM 368 N VAL A 27 23.099 -9.696 -3.068 1.00 63.41 N ATOM 369 CA VAL A 27 23.973 -8.893 -3.915 1.00 52.04 C ATOM 370 C VAL A 27 25.416 -8.952 -3.427 1.00 11.22 C ATOM 371 O VAL A 27 26.345 -9.104 -4.221 1.00 74.34 O ATOM 372 CB VAL A 27 23.517 -7.423 -3.958 1.00 40.03 C ATOM 373 CG1 VAL A 27 24.456 -6.597 -4.824 1.00 65.31 C ATOM 374 CG2 VAL A 27 22.086 -7.324 -4.467 1.00 61.31 C ATOM 0 H VAL A 27 22.423 -9.156 -2.528 1.00 63.41 H new ATOM 0 HA VAL A 27 23.914 -9.313 -4.919 1.00 52.04 H new ATOM 0 HB VAL A 27 23.548 -7.022 -2.945 1.00 40.03 H new ATOM 0 HG11 VAL A 27 24.117 -5.561 -4.842 1.00 65.31 H new ATOM 0 HG12 VAL A 27 25.464 -6.642 -4.413 1.00 65.31 H new ATOM 0 HG13 VAL A 27 24.460 -6.995 -5.839 1.00 65.31 H new ATOM 0 HG21 VAL A 27 21.780 -6.278 -4.491 1.00 61.31 H new ATOM 0 HG22 VAL A 27 22.027 -7.742 -5.472 1.00 61.31 H new ATOM 0 HG23 VAL A 27 21.424 -7.881 -3.803 1.00 61.31 H new ATOM 384 N VAL A 28 25.598 -8.832 -2.117 1.00 74.11 N ATOM 385 CA VAL A 28 26.929 -8.872 -1.522 1.00 14.13 C ATOM 386 C VAL A 28 27.590 -10.226 -1.750 1.00 43.43 C ATOM 387 O VAL A 28 28.646 -10.315 -2.379 1.00 21.32 O ATOM 388 CB VAL A 28 26.876 -8.586 -0.010 1.00 1.13 C ATOM 389 CG1 VAL A 28 28.270 -8.666 0.597 1.00 52.33 C ATOM 390 CG2 VAL A 28 26.249 -7.225 0.254 1.00 14.12 C ATOM 0 H VAL A 28 24.840 -8.706 -1.446 1.00 74.11 H new ATOM 0 HA VAL A 28 27.519 -8.096 -2.010 1.00 14.13 H new ATOM 0 HB VAL A 28 26.254 -9.345 0.464 1.00 1.13 H new ATOM 0 HG11 VAL A 28 28.214 -8.461 1.666 1.00 52.33 H new ATOM 0 HG12 VAL A 28 28.679 -9.664 0.440 1.00 52.33 H new ATOM 0 HG13 VAL A 28 28.917 -7.930 0.120 1.00 52.33 H new ATOM 0 HG21 VAL A 28 26.220 -7.040 1.328 1.00 14.12 H new ATOM 0 HG22 VAL A 28 26.843 -6.451 -0.232 1.00 14.12 H new ATOM 0 HG23 VAL A 28 25.235 -7.208 -0.145 1.00 14.12 H new ATOM 400 N ILE A 29 26.964 -11.279 -1.235 1.00 31.43 N ATOM 401 CA ILE A 29 27.492 -12.629 -1.384 1.00 40.45 C ATOM 402 C ILE A 29 27.791 -12.945 -2.845 1.00 14.33 C ATOM 403 O ILE A 29 28.852 -13.476 -3.172 1.00 13.41 O ATOM 404 CB ILE A 29 26.510 -13.681 -0.834 1.00 22.32 C ATOM 405 CG1 ILE A 29 26.220 -13.415 0.644 1.00 13.41 C ATOM 406 CG2 ILE A 29 27.073 -15.081 -1.025 1.00 63.04 C ATOM 407 CD1 ILE A 29 24.954 -14.080 1.140 1.00 62.43 C ATOM 0 H ILE A 29 26.091 -11.223 -0.711 1.00 31.43 H new ATOM 0 HA ILE A 29 28.417 -12.671 -0.809 1.00 40.45 H new ATOM 0 HB ILE A 29 25.574 -13.608 -1.388 1.00 22.32 H new ATOM 0 HG12 ILE A 29 27.063 -13.765 1.240 1.00 13.41 H new ATOM 0 HG13 ILE A 29 26.142 -12.339 0.803 1.00 13.41 H new ATOM 0 HG21 ILE A 29 26.368 -15.813 -0.632 1.00 63.04 H new ATOM 0 HG22 ILE A 29 27.234 -15.267 -2.087 1.00 63.04 H new ATOM 0 HG23 ILE A 29 28.021 -15.168 -0.494 1.00 63.04 H new ATOM 0 HD11 ILE A 29 24.811 -13.849 2.196 1.00 62.43 H new ATOM 0 HD12 ILE A 29 24.102 -13.711 0.569 1.00 62.43 H new ATOM 0 HD13 ILE A 29 25.036 -15.159 1.013 1.00 62.43 H new ATOM 419 N ALA A 30 26.848 -12.612 -3.722 1.00 2.53 N ATOM 420 CA ALA A 30 27.013 -12.856 -5.150 1.00 20.44 C ATOM 421 C ALA A 30 28.334 -12.288 -5.656 1.00 61.53 C ATOM 422 O ALA A 30 29.147 -13.003 -6.243 1.00 22.11 O ATOM 423 CB ALA A 30 25.848 -12.259 -5.925 1.00 1.24 C ATOM 0 H ALA A 30 25.963 -12.173 -3.468 1.00 2.53 H new ATOM 0 HA ALA A 30 27.027 -13.934 -5.310 1.00 20.44 H new ATOM 0 HB1 ALA A 30 25.984 -12.448 -6.990 1.00 1.24 H new ATOM 0 HB2 ALA A 30 24.917 -12.716 -5.591 1.00 1.24 H new ATOM 0 HB3 ALA A 30 25.807 -11.184 -5.750 1.00 1.24 H new ATOM 429 N THR A 31 28.544 -10.994 -5.426 1.00 63.13 N ATOM 430 CA THR A 31 29.766 -10.330 -5.859 1.00 61.04 C ATOM 431 C THR A 31 30.995 -10.971 -5.225 1.00 61.13 C ATOM 432 O THR A 31 32.011 -11.178 -5.890 1.00 5.41 O ATOM 433 CB THR A 31 29.744 -8.830 -5.508 1.00 40.33 C ATOM 434 OG1 THR A 31 28.458 -8.275 -5.807 1.00 32.33 O ATOM 435 CG2 THR A 31 30.818 -8.078 -6.279 1.00 65.53 C ATOM 0 H THR A 31 27.883 -10.387 -4.942 1.00 63.13 H new ATOM 0 HA THR A 31 29.820 -10.442 -6.942 1.00 61.04 H new ATOM 0 HB THR A 31 29.945 -8.726 -4.442 1.00 40.33 H new ATOM 0 HG1 THR A 31 27.826 -8.511 -5.096 1.00 32.33 H new ATOM 0 HG21 THR A 31 30.783 -7.021 -6.015 1.00 65.53 H new ATOM 0 HG22 THR A 31 31.798 -8.483 -6.027 1.00 65.53 H new ATOM 0 HG23 THR A 31 30.644 -8.190 -7.349 1.00 65.53 H new ATOM 443 N VAL A 32 30.897 -11.283 -3.938 1.00 63.42 N ATOM 444 CA VAL A 32 32.002 -11.903 -3.215 1.00 5.54 C ATOM 445 C VAL A 32 32.514 -13.137 -3.947 1.00 54.05 C ATOM 446 O VAL A 32 33.713 -13.273 -4.192 1.00 5.41 O ATOM 447 CB VAL A 32 31.583 -12.303 -1.787 1.00 73.24 C ATOM 448 CG1 VAL A 32 32.740 -12.973 -1.060 1.00 21.44 C ATOM 449 CG2 VAL A 32 31.091 -11.088 -1.016 1.00 21.44 C ATOM 0 H VAL A 32 30.064 -11.117 -3.373 1.00 63.42 H new ATOM 0 HA VAL A 32 32.799 -11.162 -3.158 1.00 5.54 H new ATOM 0 HB VAL A 32 30.763 -13.018 -1.854 1.00 73.24 H new ATOM 0 HG11 VAL A 32 32.426 -13.249 -0.053 1.00 21.44 H new ATOM 0 HG12 VAL A 32 33.042 -13.868 -1.604 1.00 21.44 H new ATOM 0 HG13 VAL A 32 33.582 -12.283 -1.001 1.00 21.44 H new ATOM 0 HG21 VAL A 32 30.799 -11.389 -0.010 1.00 21.44 H new ATOM 0 HG22 VAL A 32 31.889 -10.348 -0.956 1.00 21.44 H new ATOM 0 HG23 VAL A 32 30.232 -10.655 -1.529 1.00 21.44 H new ATOM 459 N ILE A 33 31.598 -14.034 -4.295 1.00 72.13 N ATOM 460 CA ILE A 33 31.957 -15.258 -5.001 1.00 54.42 C ATOM 461 C ILE A 33 32.574 -14.947 -6.361 1.00 4.00 C ATOM 462 O ILE A 33 33.546 -15.580 -6.774 1.00 21.31 O ATOM 463 CB ILE A 33 30.735 -16.172 -5.203 1.00 52.12 C ATOM 464 CG1 ILE A 33 30.080 -16.487 -3.856 1.00 21.12 C ATOM 465 CG2 ILE A 33 31.142 -17.454 -5.912 1.00 62.10 C ATOM 466 CD1 ILE A 33 30.976 -17.263 -2.916 1.00 11.23 C ATOM 0 H ILE A 33 30.602 -13.936 -4.100 1.00 72.13 H new ATOM 0 HA ILE A 33 32.689 -15.776 -4.381 1.00 54.42 H new ATOM 0 HB ILE A 33 30.009 -15.651 -5.827 1.00 52.12 H new ATOM 0 HG12 ILE A 33 29.786 -15.553 -3.377 1.00 21.12 H new ATOM 0 HG13 ILE A 33 29.168 -17.058 -4.029 1.00 21.12 H new ATOM 0 HG21 ILE A 33 30.266 -18.089 -6.047 1.00 62.10 H new ATOM 0 HG22 ILE A 33 31.568 -17.212 -6.886 1.00 62.10 H new ATOM 0 HG23 ILE A 33 31.884 -17.982 -5.312 1.00 62.10 H new ATOM 0 HD11 ILE A 33 30.447 -17.451 -1.982 1.00 11.23 H new ATOM 0 HD12 ILE A 33 31.250 -18.213 -3.375 1.00 11.23 H new ATOM 0 HD13 ILE A 33 31.878 -16.685 -2.713 1.00 11.23 H new ATOM 478 N VAL A 34 32.003 -13.966 -7.053 1.00 14.21 N ATOM 479 CA VAL A 34 32.498 -13.567 -8.366 1.00 63.22 C ATOM 480 C VAL A 34 33.961 -13.145 -8.296 1.00 1.31 C ATOM 481 O VAL A 34 34.801 -13.654 -9.039 1.00 61.34 O ATOM 482 CB VAL A 34 31.668 -12.409 -8.951 1.00 45.31 C ATOM 483 CG1 VAL A 34 32.136 -12.074 -10.358 1.00 71.33 C ATOM 484 CG2 VAL A 34 30.187 -12.758 -8.941 1.00 44.42 C ATOM 0 H VAL A 34 31.197 -13.433 -6.726 1.00 14.21 H new ATOM 0 HA VAL A 34 32.404 -14.436 -9.017 1.00 63.22 H new ATOM 0 HB VAL A 34 31.815 -11.528 -8.327 1.00 45.31 H new ATOM 0 HG11 VAL A 34 31.538 -11.254 -10.755 1.00 71.33 H new ATOM 0 HG12 VAL A 34 33.185 -11.779 -10.332 1.00 71.33 H new ATOM 0 HG13 VAL A 34 32.021 -12.949 -10.998 1.00 71.33 H new ATOM 0 HG21 VAL A 34 29.615 -11.929 -9.358 1.00 44.42 H new ATOM 0 HG22 VAL A 34 30.020 -13.652 -9.541 1.00 44.42 H new ATOM 0 HG23 VAL A 34 29.864 -12.943 -7.917 1.00 44.42 H new ATOM 494 N ILE A 35 34.260 -12.212 -7.398 1.00 52.04 N ATOM 495 CA ILE A 35 35.622 -11.723 -7.231 1.00 3.11 C ATOM 496 C ILE A 35 36.578 -12.861 -6.891 1.00 22.43 C ATOM 497 O ILE A 35 37.717 -12.892 -7.359 1.00 24.13 O ATOM 498 CB ILE A 35 35.705 -10.652 -6.126 1.00 71.33 C ATOM 499 CG1 ILE A 35 34.779 -9.479 -6.453 1.00 54.20 C ATOM 500 CG2 ILE A 35 37.138 -10.173 -5.959 1.00 4.32 C ATOM 501 CD1 ILE A 35 35.135 -8.769 -7.741 1.00 4.51 C ATOM 0 H ILE A 35 33.577 -11.780 -6.775 1.00 52.04 H new ATOM 0 HA ILE A 35 35.915 -11.277 -8.182 1.00 3.11 H new ATOM 0 HB ILE A 35 35.380 -11.096 -5.185 1.00 71.33 H new ATOM 0 HG12 ILE A 35 33.754 -9.843 -6.520 1.00 54.20 H new ATOM 0 HG13 ILE A 35 34.810 -8.763 -5.632 1.00 54.20 H new ATOM 0 HG21 ILE A 35 37.180 -9.417 -5.175 1.00 4.32 H new ATOM 0 HG22 ILE A 35 37.774 -11.015 -5.685 1.00 4.32 H new ATOM 0 HG23 ILE A 35 37.490 -9.743 -6.897 1.00 4.32 H new ATOM 0 HD11 ILE A 35 34.437 -7.949 -7.909 1.00 4.51 H new ATOM 0 HD12 ILE A 35 36.149 -8.374 -7.671 1.00 4.51 H new ATOM 0 HD13 ILE A 35 35.076 -9.472 -8.572 1.00 4.51 H new ATOM 513 N THR A 36 36.106 -13.799 -6.076 1.00 23.30 N ATOM 514 CA THR A 36 36.917 -14.941 -5.674 1.00 12.33 C ATOM 515 C THR A 36 37.290 -15.802 -6.875 1.00 64.40 C ATOM 516 O THR A 36 38.448 -16.188 -7.041 1.00 3.32 O ATOM 517 CB THR A 36 36.184 -15.815 -4.639 1.00 2.02 C ATOM 518 OG1 THR A 36 35.871 -15.039 -3.477 1.00 42.24 O ATOM 519 CG2 THR A 36 37.035 -17.013 -4.242 1.00 24.42 C ATOM 0 H THR A 36 35.166 -13.790 -5.681 1.00 23.30 H new ATOM 0 HA THR A 36 37.824 -14.539 -5.223 1.00 12.33 H new ATOM 0 HB THR A 36 35.262 -16.179 -5.091 1.00 2.02 H new ATOM 0 HG1 THR A 36 35.128 -14.433 -3.679 1.00 42.24 H new ATOM 0 HG21 THR A 36 36.497 -17.615 -3.510 1.00 24.42 H new ATOM 0 HG22 THR A 36 37.247 -17.617 -5.124 1.00 24.42 H new ATOM 0 HG23 THR A 36 37.972 -16.665 -3.807 1.00 24.42 H new ATOM 527 N LEU A 37 36.302 -16.099 -7.713 1.00 64.30 N ATOM 528 CA LEU A 37 36.527 -16.913 -8.902 1.00 12.02 C ATOM 529 C LEU A 37 37.558 -16.265 -9.820 1.00 42.22 C ATOM 530 O LEU A 37 38.516 -16.908 -10.248 1.00 14.21 O ATOM 531 CB LEU A 37 35.213 -17.120 -9.658 1.00 4.41 C ATOM 532 CG LEU A 37 35.323 -17.808 -11.019 1.00 24.51 C ATOM 533 CD1 LEU A 37 34.135 -18.728 -11.250 1.00 52.32 C ATOM 534 CD2 LEU A 37 35.423 -16.774 -12.132 1.00 32.01 C ATOM 0 H LEU A 37 35.338 -15.788 -7.591 1.00 64.30 H new ATOM 0 HA LEU A 37 36.912 -17.881 -8.581 1.00 12.02 H new ATOM 0 HB2 LEU A 37 34.544 -17.708 -9.029 1.00 4.41 H new ATOM 0 HB3 LEU A 37 34.743 -16.147 -9.802 1.00 4.41 H new ATOM 0 HG LEU A 37 36.231 -18.412 -11.027 1.00 24.51 H new ATOM 0 HD11 LEU A 37 34.231 -19.209 -12.224 1.00 52.32 H new ATOM 0 HD12 LEU A 37 34.108 -19.489 -10.471 1.00 52.32 H new ATOM 0 HD13 LEU A 37 33.214 -18.146 -11.222 1.00 52.32 H new ATOM 0 HD21 LEU A 37 35.501 -17.281 -13.094 1.00 32.01 H new ATOM 0 HD22 LEU A 37 34.533 -16.144 -12.125 1.00 32.01 H new ATOM 0 HD23 LEU A 37 36.307 -16.155 -11.976 1.00 32.01 H new ATOM 546 N VAL A 38 37.355 -14.986 -10.118 1.00 12.50 N ATOM 547 CA VAL A 38 38.269 -14.248 -10.983 1.00 14.13 C ATOM 548 C VAL A 38 39.683 -14.242 -10.411 1.00 43.02 C ATOM 549 O VAL A 38 40.655 -14.473 -11.129 1.00 4.42 O ATOM 550 CB VAL A 38 37.802 -12.794 -11.184 1.00 63.23 C ATOM 551 CG1 VAL A 38 38.650 -12.101 -12.239 1.00 52.42 C ATOM 552 CG2 VAL A 38 36.329 -12.756 -11.561 1.00 72.31 C ATOM 0 H VAL A 38 36.566 -14.439 -9.774 1.00 12.50 H new ATOM 0 HA VAL A 38 38.272 -14.757 -11.947 1.00 14.13 H new ATOM 0 HB VAL A 38 37.927 -12.257 -10.244 1.00 63.23 H new ATOM 0 HG11 VAL A 38 38.305 -11.075 -12.367 1.00 52.42 H new ATOM 0 HG12 VAL A 38 39.693 -12.096 -11.922 1.00 52.42 H new ATOM 0 HG13 VAL A 38 38.561 -12.634 -13.185 1.00 52.42 H new ATOM 0 HG21 VAL A 38 36.015 -11.721 -11.699 1.00 72.31 H new ATOM 0 HG22 VAL A 38 36.176 -13.308 -12.488 1.00 72.31 H new ATOM 0 HG23 VAL A 38 35.738 -13.211 -10.766 1.00 72.31 H new ATOM 562 N MET A 39 39.788 -13.976 -9.112 1.00 61.25 N ATOM 563 CA MET A 39 41.083 -13.941 -8.443 1.00 21.03 C ATOM 564 C MET A 39 41.854 -15.236 -8.683 1.00 45.04 C ATOM 565 O MET A 39 43.051 -15.213 -8.974 1.00 22.32 O ATOM 566 CB MET A 39 40.900 -13.714 -6.942 1.00 2.21 C ATOM 567 CG MET A 39 41.830 -12.658 -6.368 1.00 10.01 C ATOM 568 SD MET A 39 41.509 -12.321 -4.626 1.00 64.42 S ATOM 569 CE MET A 39 42.644 -13.465 -3.846 1.00 13.41 C ATOM 0 H MET A 39 38.993 -13.782 -8.503 1.00 61.25 H new ATOM 0 HA MET A 39 41.657 -13.114 -8.861 1.00 21.03 H new ATOM 0 HB2 MET A 39 39.868 -13.420 -6.751 1.00 2.21 H new ATOM 0 HB3 MET A 39 41.065 -14.655 -6.418 1.00 2.21 H new ATOM 0 HG2 MET A 39 42.863 -12.986 -6.486 1.00 10.01 H new ATOM 0 HG3 MET A 39 41.722 -11.735 -6.938 1.00 10.01 H new ATOM 0 HE1 MET A 39 42.563 -13.376 -2.763 1.00 13.41 H new ATOM 0 HE2 MET A 39 42.397 -14.484 -4.146 1.00 13.41 H new ATOM 0 HE3 MET A 39 43.663 -13.233 -4.154 1.00 13.41 H new ATOM 579 N LEU A 40 41.162 -16.363 -8.557 1.00 32.34 N ATOM 580 CA LEU A 40 41.781 -17.668 -8.759 1.00 63.45 C ATOM 581 C LEU A 40 42.330 -17.796 -10.177 1.00 3.35 C ATOM 582 O LEU A 40 43.376 -18.406 -10.397 1.00 22.51 O ATOM 583 CB LEU A 40 40.770 -18.782 -8.488 1.00 12.50 C ATOM 584 CG LEU A 40 41.245 -19.913 -7.575 1.00 51.42 C ATOM 585 CD1 LEU A 40 40.201 -21.017 -7.504 1.00 44.13 C ATOM 586 CD2 LEU A 40 42.576 -20.467 -8.060 1.00 71.23 C ATOM 0 H LEU A 40 40.172 -16.399 -8.316 1.00 32.34 H new ATOM 0 HA LEU A 40 42.611 -17.762 -8.058 1.00 63.45 H new ATOM 0 HB2 LEU A 40 39.878 -18.336 -8.047 1.00 12.50 H new ATOM 0 HB3 LEU A 40 40.471 -19.214 -9.443 1.00 12.50 H new ATOM 0 HG LEU A 40 41.386 -19.509 -6.572 1.00 51.42 H new ATOM 0 HD11 LEU A 40 40.557 -21.813 -6.850 1.00 44.13 H new ATOM 0 HD12 LEU A 40 39.269 -20.612 -7.109 1.00 44.13 H new ATOM 0 HD13 LEU A 40 40.028 -21.418 -8.502 1.00 44.13 H new ATOM 0 HD21 LEU A 40 42.898 -21.271 -7.398 1.00 71.23 H new ATOM 0 HD22 LEU A 40 42.462 -20.854 -9.072 1.00 71.23 H new ATOM 0 HD23 LEU A 40 43.323 -19.673 -8.057 1.00 71.23 H new ATOM 598 N LYS A 41 41.616 -17.216 -11.136 1.00 21.33 N ATOM 599 CA LYS A 41 42.032 -17.262 -12.533 1.00 43.51 C ATOM 600 C LYS A 41 43.138 -16.247 -12.806 1.00 52.01 C ATOM 601 O LYS A 41 43.953 -16.429 -13.709 1.00 71.12 O ATOM 602 CB LYS A 41 40.837 -16.989 -13.451 1.00 53.23 C ATOM 603 CG LYS A 41 39.864 -18.151 -13.542 1.00 12.31 C ATOM 604 CD LYS A 41 39.912 -18.814 -14.908 1.00 0.25 C ATOM 605 CE LYS A 41 38.834 -18.266 -15.832 1.00 15.01 C ATOM 606 NZ LYS A 41 39.373 -17.946 -17.183 1.00 0.01 N1+ ATOM 0 H LYS A 41 40.747 -16.709 -10.971 1.00 21.33 H new ATOM 0 HA LYS A 41 42.420 -18.260 -12.738 1.00 43.51 H new ATOM 0 HB2 LYS A 41 40.306 -16.108 -13.090 1.00 53.23 H new ATOM 0 HB3 LYS A 41 41.203 -16.753 -14.450 1.00 53.23 H new ATOM 0 HG2 LYS A 41 40.100 -18.885 -12.772 1.00 12.31 H new ATOM 0 HG3 LYS A 41 38.853 -17.796 -13.344 1.00 12.31 H new ATOM 0 HD2 LYS A 41 40.893 -18.655 -15.357 1.00 0.25 H new ATOM 0 HD3 LYS A 41 39.784 -19.891 -14.796 1.00 0.25 H new ATOM 0 HE2 LYS A 41 38.030 -18.996 -15.925 1.00 15.01 H new ATOM 0 HE3 LYS A 41 38.400 -17.368 -15.392 1.00 15.01 H new ATOM 0 HZ1 LYS A 41 38.609 -17.576 -17.783 1.00 0.01 H new ATOM 0 HZ2 LYS A 41 40.123 -17.231 -17.097 1.00 0.01 H new ATOM 0 HZ3 LYS A 41 39.764 -18.808 -17.614 1.00 0.01 H new ATOM 620 N LYS A 42 43.161 -15.178 -12.016 1.00 51.20 N ATOM 621 CA LYS A 42 44.168 -14.134 -12.170 1.00 63.05 C ATOM 622 C LYS A 42 44.069 -13.113 -11.042 1.00 75.13 C ATOM 623 O LYS A 42 42.976 -12.675 -10.679 1.00 11.34 O ATOM 624 CB LYS A 42 44.005 -13.435 -13.521 1.00 73.31 C ATOM 625 CG LYS A 42 42.732 -12.614 -13.633 1.00 3.55 C ATOM 626 CD LYS A 42 42.485 -12.160 -15.060 1.00 52.11 C ATOM 627 CE LYS A 42 42.069 -10.698 -15.117 1.00 52.23 C ATOM 628 NZ LYS A 42 42.550 -10.030 -16.358 1.00 52.20 N1+ ATOM 0 H LYS A 42 42.494 -15.012 -11.263 1.00 51.20 H new ATOM 0 HA LYS A 42 45.151 -14.603 -12.127 1.00 63.05 H new ATOM 0 HB2 LYS A 42 44.863 -12.784 -13.689 1.00 73.31 H new ATOM 0 HB3 LYS A 42 44.014 -14.185 -14.312 1.00 73.31 H new ATOM 0 HG2 LYS A 42 41.885 -13.206 -13.287 1.00 3.55 H new ATOM 0 HG3 LYS A 42 42.801 -11.744 -12.980 1.00 3.55 H new ATOM 0 HD2 LYS A 42 43.390 -12.305 -15.651 1.00 52.11 H new ATOM 0 HD3 LYS A 42 41.708 -12.778 -15.510 1.00 52.11 H new ATOM 0 HE2 LYS A 42 40.983 -10.628 -15.065 1.00 52.23 H new ATOM 0 HE3 LYS A 42 42.464 -10.174 -14.247 1.00 52.23 H new ATOM 0 HZ1 LYS A 42 42.245 -9.036 -16.357 1.00 52.20 H new ATOM 0 HZ2 LYS A 42 43.588 -10.074 -16.396 1.00 52.20 H new ATOM 0 HZ3 LYS A 42 42.153 -10.513 -17.189 1.00 52.20 H new ATOM 642 N LYS A 43 45.217 -12.734 -10.490 1.00 65.22 N ATOM 643 CA LYS A 43 45.261 -11.762 -9.405 1.00 71.00 C ATOM 644 C LYS A 43 44.541 -12.293 -8.169 1.00 0.54 C ATOM 645 O LYS A 43 45.100 -13.126 -7.458 1.00 31.10 O ATOM 646 CB LYS A 43 44.628 -10.442 -9.849 1.00 34.12 C ATOM 647 CG LYS A 43 45.465 -9.221 -9.510 1.00 32.44 C ATOM 648 CD LYS A 43 44.718 -8.271 -8.589 1.00 72.23 C ATOM 649 CE LYS A 43 45.499 -6.985 -8.362 1.00 55.42 C ATOM 650 NZ LYS A 43 45.867 -6.805 -6.931 1.00 35.41 N1+ ATOM 0 H LYS A 43 46.130 -13.086 -10.777 1.00 65.22 H new ATOM 0 HA LYS A 43 46.306 -11.588 -9.149 1.00 71.00 H new ATOM 0 HB2 LYS A 43 44.464 -10.472 -10.926 1.00 34.12 H new ATOM 0 HB3 LYS A 43 43.649 -10.342 -9.380 1.00 34.12 H new ATOM 0 HG2 LYS A 43 46.393 -9.536 -9.034 1.00 32.44 H new ATOM 0 HG3 LYS A 43 45.738 -8.700 -10.428 1.00 32.44 H new ATOM 0 HD2 LYS A 43 43.745 -8.036 -9.019 1.00 72.23 H new ATOM 0 HD3 LYS A 43 44.534 -8.760 -7.632 1.00 72.23 H new ATOM 0 HE2 LYS A 43 46.403 -6.997 -8.971 1.00 55.42 H new ATOM 0 HE3 LYS A 43 44.903 -6.135 -8.693 1.00 55.42 H new ATOM 0 HZ1 LYS A 43 46.398 -5.918 -6.818 1.00 35.41 H new ATOM 0 HZ2 LYS A 43 45.004 -6.768 -6.353 1.00 35.41 H new ATOM 0 HZ3 LYS A 43 46.457 -7.603 -6.621 1.00 35.41 H new TER 664 LYS A 43 ATOM 665 N GLY B 1 16.861 1.173 -24.288 1.00 53.22 N ATOM 666 CA GLY B 1 15.838 1.689 -23.399 1.00 45.42 C ATOM 667 C GLY B 1 15.303 0.631 -22.453 1.00 11.40 C ATOM 668 O GLY B 1 14.203 0.115 -22.646 1.00 20.32 O ATOM 0 H1 GLY B 1 17.194 1.934 -24.914 1.00 53.22 H new ATOM 0 H2 GLY B 1 17.659 0.813 -23.727 1.00 53.22 H new ATOM 0 H3 GLY B 1 16.465 0.401 -24.862 1.00 53.22 H new ATOM 0 HA2 GLY B 1 16.248 2.516 -22.819 1.00 45.42 H new ATOM 0 HA3 GLY B 1 15.016 2.092 -23.991 1.00 45.42 H new ATOM 672 N SER B 2 16.084 0.306 -21.429 1.00 72.12 N ATOM 673 CA SER B 2 15.687 -0.702 -20.453 1.00 41.31 C ATOM 674 C SER B 2 16.312 -0.416 -19.091 1.00 35.14 C ATOM 675 O SER B 2 15.647 -0.505 -18.060 1.00 22.20 O ATOM 676 CB SER B 2 16.094 -2.095 -20.933 1.00 64.41 C ATOM 677 OG SER B 2 15.596 -3.100 -20.065 1.00 51.02 O ATOM 0 H SER B 2 16.997 0.726 -21.253 1.00 72.12 H new ATOM 0 HA SER B 2 14.603 -0.665 -20.349 1.00 41.31 H new ATOM 0 HB2 SER B 2 15.715 -2.261 -21.941 1.00 64.41 H new ATOM 0 HB3 SER B 2 17.181 -2.162 -20.986 1.00 64.41 H new ATOM 0 HG SER B 2 15.869 -3.982 -20.395 1.00 51.02 H new ATOM 683 N GLN B 3 17.596 -0.073 -19.097 1.00 42.32 N ATOM 684 CA GLN B 3 18.313 0.225 -17.863 1.00 54.12 C ATOM 685 C GLN B 3 17.657 1.381 -17.117 1.00 55.21 C ATOM 686 O GLN B 3 17.564 1.372 -15.890 1.00 15.34 O ATOM 687 CB GLN B 3 19.775 0.562 -18.165 1.00 34.12 C ATOM 688 CG GLN B 3 20.762 -0.435 -17.579 1.00 43.54 C ATOM 689 CD GLN B 3 21.887 -0.773 -18.537 1.00 71.33 C ATOM 690 OE1 GLN B 3 22.118 -1.940 -18.856 1.00 74.31 O ATOM 691 NE2 GLN B 3 22.597 0.249 -19.001 1.00 35.24 N ATOM 0 H GLN B 3 18.161 0.005 -19.943 1.00 42.32 H new ATOM 0 HA GLN B 3 18.275 -0.661 -17.229 1.00 54.12 H new ATOM 0 HB2 GLN B 3 19.914 0.606 -19.245 1.00 34.12 H new ATOM 0 HB3 GLN B 3 19.999 1.555 -17.774 1.00 34.12 H new ATOM 0 HG2 GLN B 3 21.183 -0.027 -16.660 1.00 43.54 H new ATOM 0 HG3 GLN B 3 20.233 -1.349 -17.309 1.00 43.54 H new ATOM 0 HE21 GLN B 3 22.371 1.200 -18.711 1.00 35.24 H new ATOM 0 HE22 GLN B 3 23.368 0.083 -19.648 1.00 35.24 H new ATOM 700 N LYS B 4 17.202 2.380 -17.868 1.00 43.11 N ATOM 701 CA LYS B 4 16.552 3.546 -17.279 1.00 32.21 C ATOM 702 C LYS B 4 15.190 3.176 -16.702 1.00 53.02 C ATOM 703 O LYS B 4 14.764 3.725 -15.685 1.00 40.43 O ATOM 704 CB LYS B 4 16.392 4.649 -18.327 1.00 12.53 C ATOM 705 CG LYS B 4 17.590 5.578 -18.421 1.00 1.55 C ATOM 706 CD LYS B 4 17.174 6.990 -18.794 1.00 35.44 C ATOM 707 CE LYS B 4 18.087 8.027 -18.159 1.00 5.21 C ATOM 708 NZ LYS B 4 17.314 9.110 -17.491 1.00 4.24 N1+ ATOM 0 H LYS B 4 17.272 2.405 -18.885 1.00 43.11 H new ATOM 0 HA LYS B 4 17.182 3.912 -16.469 1.00 32.21 H new ATOM 0 HB2 LYS B 4 16.221 4.191 -19.301 1.00 12.53 H new ATOM 0 HB3 LYS B 4 15.505 5.237 -18.091 1.00 12.53 H new ATOM 0 HG2 LYS B 4 18.115 5.593 -17.466 1.00 1.55 H new ATOM 0 HG3 LYS B 4 18.290 5.196 -19.164 1.00 1.55 H new ATOM 0 HD2 LYS B 4 17.194 7.102 -19.878 1.00 35.44 H new ATOM 0 HD3 LYS B 4 16.147 7.164 -18.474 1.00 35.44 H new ATOM 0 HE2 LYS B 4 18.737 7.542 -17.431 1.00 5.21 H new ATOM 0 HE3 LYS B 4 18.732 8.460 -18.923 1.00 5.21 H new ATOM 0 HZ1 LYS B 4 17.972 9.797 -17.070 1.00 4.24 H new ATOM 0 HZ2 LYS B 4 16.713 9.590 -18.191 1.00 4.24 H new ATOM 0 HZ3 LYS B 4 16.717 8.701 -16.744 1.00 4.24 H new ATOM 722 N LEU B 5 14.510 2.240 -17.357 1.00 34.22 N ATOM 723 CA LEU B 5 13.195 1.796 -16.908 1.00 23.42 C ATOM 724 C LEU B 5 13.271 1.196 -15.507 1.00 41.44 C ATOM 725 O LEU B 5 12.520 1.584 -14.612 1.00 34.33 O ATOM 726 CB LEU B 5 12.622 0.768 -17.885 1.00 43.11 C ATOM 727 CG LEU B 5 11.104 0.585 -17.854 1.00 61.22 C ATOM 728 CD1 LEU B 5 10.455 1.315 -19.020 1.00 31.04 C ATOM 729 CD2 LEU B 5 10.743 -0.893 -17.881 1.00 32.43 C ATOM 0 H LEU B 5 14.847 1.775 -18.200 1.00 34.22 H new ATOM 0 HA LEU B 5 12.537 2.664 -16.876 1.00 23.42 H new ATOM 0 HB2 LEU B 5 12.913 1.056 -18.895 1.00 43.11 H new ATOM 0 HB3 LEU B 5 13.088 -0.196 -17.682 1.00 43.11 H new ATOM 0 HG LEU B 5 10.725 1.014 -16.926 1.00 61.22 H new ATOM 0 HD11 LEU B 5 9.375 1.174 -18.982 1.00 31.04 H new ATOM 0 HD12 LEU B 5 10.684 2.379 -18.956 1.00 31.04 H new ATOM 0 HD13 LEU B 5 10.840 0.916 -19.959 1.00 31.04 H new ATOM 0 HD21 LEU B 5 9.659 -1.003 -17.858 1.00 32.43 H new ATOM 0 HD22 LEU B 5 11.135 -1.347 -18.791 1.00 32.43 H new ATOM 0 HD23 LEU B 5 11.176 -1.389 -17.013 1.00 32.43 H new ATOM 741 N VAL B 6 14.185 0.248 -15.324 1.00 61.20 N ATOM 742 CA VAL B 6 14.362 -0.403 -14.032 1.00 73.22 C ATOM 743 C VAL B 6 15.024 0.536 -13.029 1.00 65.44 C ATOM 744 O VAL B 6 14.773 0.454 -11.827 1.00 21.42 O ATOM 745 CB VAL B 6 15.213 -1.682 -14.160 1.00 23.24 C ATOM 746 CG1 VAL B 6 16.627 -1.340 -14.603 1.00 75.25 C ATOM 747 CG2 VAL B 6 15.227 -2.444 -12.844 1.00 10.05 C ATOM 0 H VAL B 6 14.814 -0.086 -16.054 1.00 61.20 H new ATOM 0 HA VAL B 6 13.368 -0.670 -13.674 1.00 73.22 H new ATOM 0 HB VAL B 6 14.765 -2.322 -14.920 1.00 23.24 H new ATOM 0 HG11 VAL B 6 17.213 -2.255 -14.688 1.00 75.25 H new ATOM 0 HG12 VAL B 6 16.594 -0.839 -15.571 1.00 75.25 H new ATOM 0 HG13 VAL B 6 17.089 -0.680 -13.868 1.00 75.25 H new ATOM 0 HG21 VAL B 6 15.832 -3.344 -12.951 1.00 10.05 H new ATOM 0 HG22 VAL B 6 15.651 -1.813 -12.063 1.00 10.05 H new ATOM 0 HG23 VAL B 6 14.208 -2.722 -12.573 1.00 10.05 H new ATOM 757 N PHE B 7 15.869 1.429 -13.533 1.00 44.35 N ATOM 758 CA PHE B 7 16.568 2.386 -12.681 1.00 4.41 C ATOM 759 C PHE B 7 15.577 3.227 -11.881 1.00 63.22 C ATOM 760 O PHE B 7 15.889 3.703 -10.790 1.00 2.21 O ATOM 761 CB PHE B 7 17.462 3.296 -13.527 1.00 22.50 C ATOM 762 CG PHE B 7 18.221 4.308 -12.717 1.00 33.23 C ATOM 763 CD1 PHE B 7 19.436 3.982 -12.138 1.00 35.51 C ATOM 764 CD2 PHE B 7 17.718 5.587 -12.537 1.00 54.13 C ATOM 765 CE1 PHE B 7 20.137 4.912 -11.393 1.00 14.54 C ATOM 766 CE2 PHE B 7 18.415 6.522 -11.796 1.00 51.43 C ATOM 767 CZ PHE B 7 19.624 6.184 -11.221 1.00 53.25 C ATOM 0 H PHE B 7 16.087 1.511 -14.526 1.00 44.35 H new ATOM 0 HA PHE B 7 17.189 1.827 -11.982 1.00 4.41 H new ATOM 0 HB2 PHE B 7 18.170 2.682 -14.083 1.00 22.50 H new ATOM 0 HB3 PHE B 7 16.847 3.817 -14.261 1.00 22.50 H new ATOM 0 HD1 PHE B 7 19.841 2.989 -12.270 1.00 35.51 H new ATOM 0 HD2 PHE B 7 16.771 5.856 -12.981 1.00 54.13 H new ATOM 0 HE1 PHE B 7 21.083 4.645 -10.946 1.00 14.54 H new ATOM 0 HE2 PHE B 7 18.014 7.517 -11.667 1.00 51.43 H new ATOM 0 HZ PHE B 7 20.168 6.912 -10.638 1.00 53.25 H new ATOM 777 N PHE B 8 14.382 3.407 -12.434 1.00 14.24 N ATOM 778 CA PHE B 8 13.346 4.191 -11.774 1.00 23.40 C ATOM 779 C PHE B 8 12.773 3.439 -10.577 1.00 21.31 C ATOM 780 O PHE B 8 12.712 3.970 -9.468 1.00 43.03 O ATOM 781 CB PHE B 8 12.226 4.530 -12.761 1.00 62.24 C ATOM 782 CG PHE B 8 11.407 5.721 -12.354 1.00 44.41 C ATOM 783 CD1 PHE B 8 11.949 6.996 -12.388 1.00 71.13 C ATOM 784 CD2 PHE B 8 10.095 5.566 -11.937 1.00 45.44 C ATOM 785 CE1 PHE B 8 11.198 8.094 -12.013 1.00 35.51 C ATOM 786 CE2 PHE B 8 9.339 6.660 -11.561 1.00 71.42 C ATOM 787 CZ PHE B 8 9.891 7.926 -11.599 1.00 61.34 C ATOM 0 H PHE B 8 14.108 3.020 -13.337 1.00 14.24 H new ATOM 0 HA PHE B 8 13.799 5.116 -11.417 1.00 23.40 H new ATOM 0 HB2 PHE B 8 12.662 4.717 -13.742 1.00 62.24 H new ATOM 0 HB3 PHE B 8 11.570 3.666 -12.864 1.00 62.24 H new ATOM 0 HD1 PHE B 8 12.970 7.133 -12.711 1.00 71.13 H new ATOM 0 HD2 PHE B 8 9.658 4.579 -11.905 1.00 45.44 H new ATOM 0 HE1 PHE B 8 11.633 9.082 -12.044 1.00 35.51 H new ATOM 0 HE2 PHE B 8 8.317 6.525 -11.238 1.00 71.42 H new ATOM 0 HZ PHE B 8 9.302 8.782 -11.306 1.00 61.34 H new ATOM 797 N ALA B 9 12.352 2.200 -10.809 1.00 3.32 N ATOM 798 CA ALA B 9 11.786 1.374 -9.752 1.00 54.53 C ATOM 799 C ALA B 9 12.738 1.272 -8.565 1.00 33.43 C ATOM 800 O ALA B 9 12.309 1.277 -7.412 1.00 63.12 O ATOM 801 CB ALA B 9 11.453 -0.012 -10.284 1.00 3.22 C ATOM 0 H ALA B 9 12.393 1.746 -11.722 1.00 3.32 H new ATOM 0 HA ALA B 9 10.867 1.849 -9.408 1.00 54.53 H new ATOM 0 HB1 ALA B 9 11.031 -0.618 -9.482 1.00 3.22 H new ATOM 0 HB2 ALA B 9 10.729 0.074 -11.094 1.00 3.22 H new ATOM 0 HB3 ALA B 9 12.361 -0.486 -10.657 1.00 3.22 H new ATOM 807 N GLU B 10 14.031 1.179 -8.857 1.00 45.21 N ATOM 808 CA GLU B 10 15.044 1.073 -7.813 1.00 70.42 C ATOM 809 C GLU B 10 15.291 2.429 -7.157 1.00 44.53 C ATOM 810 O GLU B 10 15.689 2.504 -5.994 1.00 32.34 O ATOM 811 CB GLU B 10 16.351 0.528 -8.392 1.00 22.13 C ATOM 812 CG GLU B 10 16.867 -0.707 -7.673 1.00 1.50 C ATOM 813 CD GLU B 10 18.202 -1.182 -8.215 1.00 64.55 C ATOM 814 OE1 GLU B 10 18.733 -0.529 -9.138 1.00 64.21 O ATOM 815 OE2 GLU B 10 18.714 -2.206 -7.716 1.00 2.44 O1- ATOM 0 H GLU B 10 14.402 1.175 -9.807 1.00 45.21 H new ATOM 0 HA GLU B 10 14.677 0.382 -7.054 1.00 70.42 H new ATOM 0 HB2 GLU B 10 16.200 0.289 -9.445 1.00 22.13 H new ATOM 0 HB3 GLU B 10 17.111 1.308 -8.348 1.00 22.13 H new ATOM 0 HG2 GLU B 10 16.968 -0.489 -6.610 1.00 1.50 H new ATOM 0 HG3 GLU B 10 16.135 -1.509 -7.766 1.00 1.50 H new ATOM 822 N ASP B 11 15.051 3.496 -7.910 1.00 22.22 N ATOM 823 CA ASP B 11 15.247 4.849 -7.402 1.00 24.31 C ATOM 824 C ASP B 11 14.151 5.221 -6.408 1.00 71.11 C ATOM 825 O ASP B 11 14.433 5.624 -5.280 1.00 64.32 O ATOM 826 CB ASP B 11 15.267 5.852 -8.557 1.00 44.23 C ATOM 827 CG ASP B 11 15.464 7.278 -8.082 1.00 22.45 C ATOM 828 OD1 ASP B 11 16.367 7.506 -7.249 1.00 53.01 O ATOM 829 OD2 ASP B 11 14.719 8.167 -8.545 1.00 74.44 O1- ATOM 0 H ASP B 11 14.721 3.451 -8.874 1.00 22.22 H new ATOM 0 HA ASP B 11 16.206 4.881 -6.886 1.00 24.31 H new ATOM 0 HB2 ASP B 11 16.067 5.589 -9.249 1.00 44.23 H new ATOM 0 HB3 ASP B 11 14.331 5.783 -9.111 1.00 44.23 H new ATOM 834 N VAL B 12 12.901 5.083 -6.835 1.00 55.21 N ATOM 835 CA VAL B 12 11.762 5.403 -5.984 1.00 52.10 C ATOM 836 C VAL B 12 11.568 4.344 -4.904 1.00 62.40 C ATOM 837 O VAL B 12 11.064 4.634 -3.818 1.00 65.11 O ATOM 838 CB VAL B 12 10.464 5.528 -6.803 1.00 62.05 C ATOM 839 CG1 VAL B 12 10.205 4.251 -7.590 1.00 4.04 C ATOM 840 CG2 VAL B 12 9.288 5.851 -5.894 1.00 52.34 C ATOM 0 H VAL B 12 12.651 4.751 -7.767 1.00 55.21 H new ATOM 0 HA VAL B 12 11.979 6.362 -5.514 1.00 52.10 H new ATOM 0 HB VAL B 12 10.580 6.348 -7.512 1.00 62.05 H new ATOM 0 HG11 VAL B 12 9.284 4.357 -8.163 1.00 4.04 H new ATOM 0 HG12 VAL B 12 11.037 4.068 -8.271 1.00 4.04 H new ATOM 0 HG13 VAL B 12 10.109 3.412 -6.901 1.00 4.04 H new ATOM 0 HG21 VAL B 12 8.380 5.936 -6.490 1.00 52.34 H new ATOM 0 HG22 VAL B 12 9.167 5.055 -5.159 1.00 52.34 H new ATOM 0 HG23 VAL B 12 9.474 6.794 -5.380 1.00 52.34 H new ATOM 850 N GLY B 13 11.973 3.115 -5.208 1.00 23.54 N ATOM 851 CA GLY B 13 11.835 2.031 -4.253 1.00 64.33 C ATOM 852 C GLY B 13 10.407 1.854 -3.778 1.00 22.53 C ATOM 853 O GLY B 13 10.158 1.700 -2.582 1.00 53.34 O ATOM 0 H GLY B 13 12.394 2.851 -6.099 1.00 23.54 H new ATOM 0 HA2 GLY B 13 12.180 1.103 -4.709 1.00 64.33 H new ATOM 0 HA3 GLY B 13 12.479 2.223 -3.395 1.00 64.33 H new ATOM 857 N SER B 14 9.466 1.876 -4.716 1.00 21.23 N ATOM 858 CA SER B 14 8.053 1.722 -4.386 1.00 62.54 C ATOM 859 C SER B 14 7.500 0.424 -4.966 1.00 73.21 C ATOM 860 O SER B 14 6.967 -0.415 -4.240 1.00 41.54 O ATOM 861 CB SER B 14 7.252 2.913 -4.916 1.00 5.22 C ATOM 862 OG SER B 14 7.066 3.891 -3.907 1.00 73.04 O ATOM 0 H SER B 14 9.656 1.999 -5.711 1.00 21.23 H new ATOM 0 HA SER B 14 7.959 1.684 -3.301 1.00 62.54 H new ATOM 0 HB2 SER B 14 7.772 3.356 -5.765 1.00 5.22 H new ATOM 0 HB3 SER B 14 6.283 2.571 -5.279 1.00 5.22 H new ATOM 0 HG SER B 14 6.553 4.643 -4.271 1.00 73.04 H new ATOM 868 N ASN B 15 7.629 0.266 -6.280 1.00 71.02 N ATOM 869 CA ASN B 15 7.140 -0.929 -6.958 1.00 74.13 C ATOM 870 C ASN B 15 7.678 -2.191 -6.290 1.00 63.30 C ATOM 871 O ASN B 15 8.867 -2.286 -5.984 1.00 52.43 O ATOM 872 CB ASN B 15 7.547 -0.906 -8.432 1.00 43.53 C ATOM 873 CG ASN B 15 7.067 0.345 -9.145 1.00 72.21 C ATOM 874 OD1 ASN B 15 5.864 0.559 -9.302 1.00 20.22 O ATOM 875 ND2 ASN B 15 8.007 1.175 -9.581 1.00 60.13 N ATOM 0 H ASN B 15 8.068 0.950 -6.896 1.00 71.02 H new ATOM 0 HA ASN B 15 6.052 -0.937 -6.888 1.00 74.13 H new ATOM 0 HB2 ASN B 15 8.632 -0.970 -8.507 1.00 43.53 H new ATOM 0 HB3 ASN B 15 7.140 -1.785 -8.932 1.00 43.53 H new ATOM 0 HD21 ASN B 15 7.745 2.031 -10.069 1.00 60.13 H new ATOM 0 HD22 ASN B 15 8.991 0.956 -9.428 1.00 60.13 H new ATOM 882 N LYS B 16 6.794 -3.158 -6.068 1.00 43.20 N ATOM 883 CA LYS B 16 7.179 -4.416 -5.438 1.00 54.43 C ATOM 884 C LYS B 16 8.055 -5.245 -6.371 1.00 15.13 C ATOM 885 O LYS B 16 8.932 -5.983 -5.922 1.00 51.12 O ATOM 886 CB LYS B 16 5.933 -5.215 -5.047 1.00 71.21 C ATOM 887 CG LYS B 16 6.037 -5.873 -3.682 1.00 22.40 C ATOM 888 CD LYS B 16 5.377 -5.030 -2.604 1.00 33.51 C ATOM 889 CE LYS B 16 5.806 -5.469 -1.212 1.00 15.53 C ATOM 890 NZ LYS B 16 5.335 -4.523 -0.163 1.00 24.33 N1+ ATOM 0 H LYS B 16 5.806 -3.095 -6.315 1.00 43.20 H new ATOM 0 HA LYS B 16 7.752 -4.185 -4.540 1.00 54.43 H new ATOM 0 HB2 LYS B 16 5.068 -4.552 -5.056 1.00 71.21 H new ATOM 0 HB3 LYS B 16 5.753 -5.983 -5.799 1.00 71.21 H new ATOM 0 HG2 LYS B 16 5.567 -6.856 -3.714 1.00 22.40 H new ATOM 0 HG3 LYS B 16 7.086 -6.029 -3.431 1.00 22.40 H new ATOM 0 HD2 LYS B 16 5.635 -3.981 -2.752 1.00 33.51 H new ATOM 0 HD3 LYS B 16 4.293 -5.107 -2.693 1.00 33.51 H new ATOM 0 HE2 LYS B 16 5.411 -6.464 -1.007 1.00 15.53 H new ATOM 0 HE3 LYS B 16 6.893 -5.543 -1.173 1.00 15.53 H new ATOM 0 HZ1 LYS B 16 5.647 -4.857 0.771 1.00 24.33 H new ATOM 0 HZ2 LYS B 16 5.732 -3.579 -0.344 1.00 24.33 H new ATOM 0 HZ3 LYS B 16 4.296 -4.472 -0.183 1.00 24.33 H new ATOM 904 N GLY B 17 7.812 -5.119 -7.672 1.00 4.31 N ATOM 905 CA GLY B 17 8.590 -5.862 -8.647 1.00 33.42 C ATOM 906 C GLY B 17 10.082 -5.671 -8.467 1.00 53.42 C ATOM 907 O GLY B 17 10.850 -6.630 -8.526 1.00 43.40 O ATOM 0 H GLY B 17 7.091 -4.516 -8.068 1.00 4.31 H new ATOM 0 HA2 GLY B 17 8.350 -6.922 -8.566 1.00 33.42 H new ATOM 0 HA3 GLY B 17 8.305 -5.547 -9.651 1.00 33.42 H new ATOM 911 N ALA B 18 10.496 -4.426 -8.247 1.00 32.22 N ATOM 912 CA ALA B 18 11.907 -4.113 -8.056 1.00 63.10 C ATOM 913 C ALA B 18 12.469 -4.835 -6.837 1.00 74.14 C ATOM 914 O ALA B 18 13.524 -5.467 -6.910 1.00 4.35 O ATOM 915 CB ALA B 18 12.099 -2.610 -7.918 1.00 33.43 C ATOM 0 H ALA B 18 9.874 -3.619 -8.197 1.00 32.22 H new ATOM 0 HA ALA B 18 12.453 -4.459 -8.933 1.00 63.10 H new ATOM 0 HB1 ALA B 18 13.157 -2.390 -7.776 1.00 33.43 H new ATOM 0 HB2 ALA B 18 11.743 -2.113 -8.821 1.00 33.43 H new ATOM 0 HB3 ALA B 18 11.535 -2.249 -7.058 1.00 33.43 H new ATOM 921 N ILE B 19 11.761 -4.735 -5.716 1.00 3.21 N ATOM 922 CA ILE B 19 12.192 -5.378 -4.482 1.00 42.52 C ATOM 923 C ILE B 19 12.384 -6.879 -4.681 1.00 45.01 C ATOM 924 O ILE B 19 13.473 -7.409 -4.462 1.00 51.23 O ATOM 925 CB ILE B 19 11.178 -5.150 -3.345 1.00 33.45 C ATOM 926 CG1 ILE B 19 10.965 -3.652 -3.115 1.00 32.21 C ATOM 927 CG2 ILE B 19 11.653 -5.825 -2.067 1.00 64.11 C ATOM 928 CD1 ILE B 19 12.224 -2.919 -2.703 1.00 15.41 C ATOM 0 H ILE B 19 10.887 -4.215 -5.638 1.00 3.21 H new ATOM 0 HA ILE B 19 13.144 -4.925 -4.207 1.00 42.52 H new ATOM 0 HB ILE B 19 10.225 -5.594 -3.634 1.00 33.45 H new ATOM 0 HG12 ILE B 19 10.576 -3.204 -4.029 1.00 32.21 H new ATOM 0 HG13 ILE B 19 10.206 -3.515 -2.345 1.00 32.21 H new ATOM 0 HG21 ILE B 19 10.926 -5.654 -1.273 1.00 64.11 H new ATOM 0 HG22 ILE B 19 11.758 -6.896 -2.239 1.00 64.11 H new ATOM 0 HG23 ILE B 19 12.616 -5.409 -1.772 1.00 64.11 H new ATOM 0 HD11 ILE B 19 11.999 -1.863 -2.557 1.00 15.41 H new ATOM 0 HD12 ILE B 19 12.603 -3.341 -1.772 1.00 15.41 H new ATOM 0 HD13 ILE B 19 12.978 -3.025 -3.483 1.00 15.41 H new ATOM 940 N ILE B 20 11.320 -7.555 -5.101 1.00 43.32 N ATOM 941 CA ILE B 20 11.373 -8.993 -5.334 1.00 64.50 C ATOM 942 C ILE B 20 12.461 -9.347 -6.342 1.00 3.13 C ATOM 943 O ILE B 20 13.311 -10.198 -6.081 1.00 61.12 O ATOM 944 CB ILE B 20 10.022 -9.531 -5.842 1.00 12.10 C ATOM 945 CG1 ILE B 20 8.914 -9.225 -4.833 1.00 4.15 C ATOM 946 CG2 ILE B 20 10.112 -11.028 -6.101 1.00 22.15 C ATOM 947 CD1 ILE B 20 9.122 -9.887 -3.489 1.00 15.43 C ATOM 0 H ILE B 20 10.411 -7.130 -5.287 1.00 43.32 H new ATOM 0 HA ILE B 20 11.603 -9.460 -4.376 1.00 64.50 H new ATOM 0 HB ILE B 20 9.779 -9.033 -6.781 1.00 12.10 H new ATOM 0 HG12 ILE B 20 8.850 -8.146 -4.692 1.00 4.15 H new ATOM 0 HG13 ILE B 20 7.959 -9.550 -5.245 1.00 4.15 H new ATOM 0 HG21 ILE B 20 9.150 -11.394 -6.459 1.00 22.15 H new ATOM 0 HG22 ILE B 20 10.877 -11.222 -6.853 1.00 22.15 H new ATOM 0 HG23 ILE B 20 10.374 -11.542 -5.176 1.00 22.15 H new ATOM 0 HD11 ILE B 20 8.299 -9.626 -2.824 1.00 15.43 H new ATOM 0 HD12 ILE B 20 9.156 -10.969 -3.618 1.00 15.43 H new ATOM 0 HD13 ILE B 20 10.061 -9.543 -3.056 1.00 15.43 H new ATOM 959 N GLY B 21 12.429 -8.686 -7.495 1.00 73.30 N ATOM 960 CA GLY B 21 13.418 -8.944 -8.525 1.00 11.22 C ATOM 961 C GLY B 21 14.838 -8.802 -8.014 1.00 42.32 C ATOM 962 O GLY B 21 15.755 -9.455 -8.515 1.00 43.00 O ATOM 0 H GLY B 21 11.736 -7.977 -7.734 1.00 73.30 H new ATOM 0 HA2 GLY B 21 13.275 -9.951 -8.917 1.00 11.22 H new ATOM 0 HA3 GLY B 21 13.263 -8.254 -9.354 1.00 11.22 H new ATOM 966 N LEU B 22 15.022 -7.948 -7.014 1.00 1.10 N ATOM 967 CA LEU B 22 16.342 -7.721 -6.434 1.00 63.54 C ATOM 968 C LEU B 22 16.767 -8.902 -5.569 1.00 3.34 C ATOM 969 O LEU B 22 17.835 -9.478 -5.769 1.00 3.31 O ATOM 970 CB LEU B 22 16.341 -6.437 -5.601 1.00 2.22 C ATOM 971 CG LEU B 22 17.119 -5.258 -6.185 1.00 43.13 C ATOM 972 CD1 LEU B 22 16.902 -4.008 -5.347 1.00 35.24 C ATOM 973 CD2 LEU B 22 18.601 -5.590 -6.277 1.00 43.24 C ATOM 0 H LEU B 22 14.274 -7.401 -6.587 1.00 1.10 H new ATOM 0 HA LEU B 22 17.057 -7.617 -7.250 1.00 63.54 H new ATOM 0 HB2 LEU B 22 15.307 -6.126 -5.451 1.00 2.22 H new ATOM 0 HB3 LEU B 22 16.751 -6.666 -4.617 1.00 2.22 H new ATOM 0 HG LEU B 22 16.747 -5.065 -7.191 1.00 43.13 H new ATOM 0 HD11 LEU B 22 17.464 -3.179 -5.778 1.00 35.24 H new ATOM 0 HD12 LEU B 22 15.841 -3.759 -5.333 1.00 35.24 H new ATOM 0 HD13 LEU B 22 17.246 -4.189 -4.329 1.00 35.24 H new ATOM 0 HD21 LEU B 22 19.139 -4.739 -6.695 1.00 43.24 H new ATOM 0 HD22 LEU B 22 18.987 -5.810 -5.282 1.00 43.24 H new ATOM 0 HD23 LEU B 22 18.740 -6.459 -6.920 1.00 43.24 H new ATOM 985 N MET B 23 15.922 -9.259 -4.608 1.00 44.40 N ATOM 986 CA MET B 23 16.209 -10.374 -3.713 1.00 71.22 C ATOM 987 C MET B 23 16.322 -11.681 -4.493 1.00 4.21 C ATOM 988 O MET B 23 17.187 -12.511 -4.210 1.00 74.33 O ATOM 989 CB MET B 23 15.117 -10.496 -2.648 1.00 54.41 C ATOM 990 CG MET B 23 13.715 -10.601 -3.224 1.00 32.30 C ATOM 991 SD MET B 23 12.445 -10.695 -1.947 1.00 4.02 S ATOM 992 CE MET B 23 12.687 -9.128 -1.115 1.00 45.11 C ATOM 0 H MET B 23 15.033 -8.792 -4.429 1.00 44.40 H new ATOM 0 HA MET B 23 17.163 -10.178 -3.224 1.00 71.22 H new ATOM 0 HB2 MET B 23 15.316 -11.375 -2.035 1.00 54.41 H new ATOM 0 HB3 MET B 23 15.166 -9.630 -1.988 1.00 54.41 H new ATOM 0 HG2 MET B 23 13.522 -9.737 -3.860 1.00 32.30 H new ATOM 0 HG3 MET B 23 13.652 -11.485 -3.859 1.00 32.30 H new ATOM 0 HE1 MET B 23 11.719 -8.674 -0.906 1.00 45.11 H new ATOM 0 HE2 MET B 23 13.221 -9.292 -0.179 1.00 45.11 H new ATOM 0 HE3 MET B 23 13.269 -8.463 -1.753 1.00 45.11 H new ATOM 1002 N VAL B 24 15.444 -11.857 -5.475 1.00 14.24 N ATOM 1003 CA VAL B 24 15.447 -13.063 -6.295 1.00 33.43 C ATOM 1004 C VAL B 24 16.708 -13.144 -7.148 1.00 12.43 C ATOM 1005 O VAL B 24 17.417 -14.149 -7.130 1.00 51.14 O ATOM 1006 CB VAL B 24 14.213 -13.116 -7.216 1.00 32.42 C ATOM 1007 CG1 VAL B 24 14.250 -14.364 -8.087 1.00 73.50 C ATOM 1008 CG2 VAL B 24 12.933 -13.067 -6.396 1.00 15.54 C ATOM 0 H VAL B 24 14.722 -11.180 -5.722 1.00 14.24 H new ATOM 0 HA VAL B 24 15.419 -13.912 -5.612 1.00 33.43 H new ATOM 0 HB VAL B 24 14.232 -12.244 -7.870 1.00 32.42 H new ATOM 0 HG11 VAL B 24 13.371 -14.385 -8.731 1.00 73.50 H new ATOM 0 HG12 VAL B 24 15.150 -14.352 -8.702 1.00 73.50 H new ATOM 0 HG13 VAL B 24 14.256 -15.250 -7.453 1.00 73.50 H new ATOM 0 HG21 VAL B 24 12.072 -13.105 -7.063 1.00 15.54 H new ATOM 0 HG22 VAL B 24 12.904 -13.918 -5.716 1.00 15.54 H new ATOM 0 HG23 VAL B 24 12.905 -12.142 -5.820 1.00 15.54 H new ATOM 1018 N GLY B 25 16.982 -12.078 -7.894 1.00 45.24 N ATOM 1019 CA GLY B 25 18.159 -12.050 -8.742 1.00 52.24 C ATOM 1020 C GLY B 25 19.439 -12.284 -7.966 1.00 12.45 C ATOM 1021 O GLY B 25 20.310 -13.034 -8.405 1.00 44.51 O ATOM 0 H GLY B 25 16.410 -11.234 -7.926 1.00 45.24 H new ATOM 0 HA2 GLY B 25 18.063 -12.811 -9.516 1.00 52.24 H new ATOM 0 HA3 GLY B 25 18.216 -11.086 -9.248 1.00 52.24 H new ATOM 1025 N GLY B 26 19.555 -11.640 -6.809 1.00 12.45 N ATOM 1026 CA GLY B 26 20.743 -11.794 -5.990 1.00 62.31 C ATOM 1027 C GLY B 26 20.951 -13.226 -5.535 1.00 71.30 C ATOM 1028 O GLY B 26 22.064 -13.748 -5.595 1.00 64.44 O ATOM 0 H GLY B 26 18.847 -11.014 -6.424 1.00 12.45 H new ATOM 0 HA2 GLY B 26 21.615 -11.465 -6.555 1.00 62.31 H new ATOM 0 HA3 GLY B 26 20.665 -11.146 -5.117 1.00 62.31 H new ATOM 1032 N VAL B 27 19.877 -13.861 -5.076 1.00 24.11 N ATOM 1033 CA VAL B 27 19.947 -15.239 -4.608 1.00 31.31 C ATOM 1034 C VAL B 27 20.246 -16.196 -5.757 1.00 64.42 C ATOM 1035 O VAL B 27 21.075 -17.096 -5.631 1.00 52.42 O ATOM 1036 CB VAL B 27 18.634 -15.668 -3.926 1.00 22.42 C ATOM 1037 CG1 VAL B 27 18.717 -17.118 -3.472 1.00 14.40 C ATOM 1038 CG2 VAL B 27 18.320 -14.752 -2.753 1.00 24.04 C ATOM 0 H VAL B 27 18.949 -13.443 -5.019 1.00 24.11 H new ATOM 0 HA VAL B 27 20.758 -15.285 -3.881 1.00 31.31 H new ATOM 0 HB VAL B 27 17.824 -15.585 -4.651 1.00 22.42 H new ATOM 0 HG11 VAL B 27 17.781 -17.403 -2.993 1.00 14.40 H new ATOM 0 HG12 VAL B 27 18.893 -17.760 -4.335 1.00 14.40 H new ATOM 0 HG13 VAL B 27 19.537 -17.231 -2.763 1.00 14.40 H new ATOM 0 HG21 VAL B 27 17.389 -15.069 -2.283 1.00 24.04 H new ATOM 0 HG22 VAL B 27 19.130 -14.802 -2.025 1.00 24.04 H new ATOM 0 HG23 VAL B 27 18.215 -13.727 -3.109 1.00 24.04 H new ATOM 1048 N VAL B 28 19.562 -15.995 -6.880 1.00 44.32 N ATOM 1049 CA VAL B 28 19.755 -16.837 -8.053 1.00 72.25 C ATOM 1050 C VAL B 28 21.177 -16.714 -8.591 1.00 61.12 C ATOM 1051 O VAL B 28 21.920 -17.694 -8.639 1.00 4.12 O ATOM 1052 CB VAL B 28 18.761 -16.476 -9.173 1.00 30.43 C ATOM 1053 CG1 VAL B 28 19.000 -17.344 -10.399 1.00 14.03 C ATOM 1054 CG2 VAL B 28 17.330 -16.619 -8.679 1.00 41.34 C ATOM 0 H VAL B 28 18.870 -15.256 -7.001 1.00 44.32 H new ATOM 0 HA VAL B 28 19.577 -17.865 -7.737 1.00 72.25 H new ATOM 0 HB VAL B 28 18.921 -15.436 -9.457 1.00 30.43 H new ATOM 0 HG11 VAL B 28 18.289 -17.075 -11.180 1.00 14.03 H new ATOM 0 HG12 VAL B 28 20.015 -17.187 -10.763 1.00 14.03 H new ATOM 0 HG13 VAL B 28 18.868 -18.393 -10.134 1.00 14.03 H new ATOM 0 HG21 VAL B 28 16.640 -16.360 -9.482 1.00 41.34 H new ATOM 0 HG22 VAL B 28 17.154 -17.648 -8.367 1.00 41.34 H new ATOM 0 HG23 VAL B 28 17.169 -15.951 -7.833 1.00 41.34 H new ATOM 1064 N ILE B 29 21.547 -15.503 -8.994 1.00 43.52 N ATOM 1065 CA ILE B 29 22.880 -15.251 -9.527 1.00 61.14 C ATOM 1066 C ILE B 29 23.958 -15.771 -8.583 1.00 31.13 C ATOM 1067 O ILE B 29 24.906 -16.431 -9.009 1.00 42.31 O ATOM 1068 CB ILE B 29 23.112 -13.748 -9.776 1.00 72.21 C ATOM 1069 CG1 ILE B 29 22.066 -13.202 -10.750 1.00 65.04 C ATOM 1070 CG2 ILE B 29 24.516 -13.511 -10.310 1.00 30.35 C ATOM 1071 CD1 ILE B 29 21.930 -11.696 -10.708 1.00 25.13 C ATOM 0 H ILE B 29 20.943 -14.682 -8.962 1.00 43.52 H new ATOM 0 HA ILE B 29 22.945 -15.783 -10.476 1.00 61.14 H new ATOM 0 HB ILE B 29 23.010 -13.218 -8.829 1.00 72.21 H new ATOM 0 HG12 ILE B 29 22.330 -13.507 -11.763 1.00 65.04 H new ATOM 0 HG13 ILE B 29 21.100 -13.653 -10.523 1.00 65.04 H new ATOM 0 HG21 ILE B 29 24.665 -12.445 -10.481 1.00 30.35 H new ATOM 0 HG22 ILE B 29 25.246 -13.868 -9.584 1.00 30.35 H new ATOM 0 HG23 ILE B 29 24.644 -14.050 -11.248 1.00 30.35 H new ATOM 0 HD11 ILE B 29 21.171 -11.379 -11.424 1.00 25.13 H new ATOM 0 HD12 ILE B 29 21.636 -11.385 -9.706 1.00 25.13 H new ATOM 0 HD13 ILE B 29 22.885 -11.237 -10.964 1.00 25.13 H new ATOM 1083 N ALA B 30 23.805 -15.471 -7.297 1.00 61.53 N ATOM 1084 CA ALA B 30 24.763 -15.913 -6.290 1.00 41.51 C ATOM 1085 C ALA B 30 25.008 -17.415 -6.387 1.00 3.30 C ATOM 1086 O ALA B 30 26.146 -17.861 -6.531 1.00 12.12 O ATOM 1087 CB ALA B 30 24.272 -15.544 -4.898 1.00 34.43 C ATOM 0 H ALA B 30 23.027 -14.924 -6.928 1.00 61.53 H new ATOM 0 HA ALA B 30 25.709 -15.405 -6.476 1.00 41.51 H new ATOM 0 HB1 ALA B 30 24.996 -15.880 -4.156 1.00 34.43 H new ATOM 0 HB2 ALA B 30 24.155 -14.463 -4.828 1.00 34.43 H new ATOM 0 HB3 ALA B 30 23.312 -16.025 -4.711 1.00 34.43 H new ATOM 1093 N THR B 31 23.933 -18.192 -6.307 1.00 55.34 N ATOM 1094 CA THR B 31 24.031 -19.644 -6.382 1.00 44.34 C ATOM 1095 C THR B 31 24.650 -20.085 -7.704 1.00 64.05 C ATOM 1096 O THR B 31 25.492 -20.982 -7.738 1.00 32.31 O ATOM 1097 CB THR B 31 22.651 -20.310 -6.227 1.00 71.41 C ATOM 1098 OG1 THR B 31 21.916 -19.675 -5.176 1.00 55.31 O ATOM 1099 CG2 THR B 31 22.797 -21.794 -5.928 1.00 41.44 C ATOM 0 H THR B 31 22.983 -17.839 -6.190 1.00 55.34 H new ATOM 0 HA THR B 31 24.672 -19.960 -5.559 1.00 44.34 H new ATOM 0 HB THR B 31 22.110 -20.197 -7.166 1.00 71.41 H new ATOM 0 HG1 THR B 31 21.537 -18.833 -5.504 1.00 55.31 H new ATOM 0 HG21 THR B 31 21.809 -22.243 -5.823 1.00 41.44 H new ATOM 0 HG22 THR B 31 23.331 -22.279 -6.745 1.00 41.44 H new ATOM 0 HG23 THR B 31 23.356 -21.925 -5.001 1.00 41.44 H new ATOM 1107 N VAL B 32 24.228 -19.447 -8.791 1.00 33.22 N ATOM 1108 CA VAL B 32 24.742 -19.772 -10.116 1.00 10.51 C ATOM 1109 C VAL B 32 26.266 -19.749 -10.135 1.00 44.22 C ATOM 1110 O VAL B 32 26.906 -20.700 -10.582 1.00 21.24 O ATOM 1111 CB VAL B 32 24.211 -18.793 -11.181 1.00 72.41 C ATOM 1112 CG1 VAL B 32 24.779 -19.133 -12.550 1.00 30.13 C ATOM 1113 CG2 VAL B 32 22.691 -18.808 -11.207 1.00 1.22 C ATOM 0 H VAL B 32 23.531 -18.702 -8.780 1.00 33.22 H new ATOM 0 HA VAL B 32 24.394 -20.777 -10.352 1.00 10.51 H new ATOM 0 HB VAL B 32 24.537 -17.787 -10.919 1.00 72.41 H new ATOM 0 HG11 VAL B 32 24.393 -18.431 -13.289 1.00 30.13 H new ATOM 0 HG12 VAL B 32 25.867 -19.066 -12.520 1.00 30.13 H new ATOM 0 HG13 VAL B 32 24.486 -20.146 -12.824 1.00 30.13 H new ATOM 0 HG21 VAL B 32 22.333 -18.111 -11.965 1.00 1.22 H new ATOM 0 HG22 VAL B 32 22.341 -19.813 -11.444 1.00 1.22 H new ATOM 0 HG23 VAL B 32 22.307 -18.511 -10.231 1.00 1.22 H new ATOM 1123 N ILE B 33 26.841 -18.655 -9.647 1.00 33.21 N ATOM 1124 CA ILE B 33 28.291 -18.507 -9.606 1.00 4.21 C ATOM 1125 C ILE B 33 28.928 -19.578 -8.726 1.00 15.44 C ATOM 1126 O ILE B 33 29.971 -20.136 -9.065 1.00 54.11 O ATOM 1127 CB ILE B 33 28.701 -17.119 -9.083 1.00 4.41 C ATOM 1128 CG1 ILE B 33 28.065 -16.020 -9.936 1.00 74.01 C ATOM 1129 CG2 ILE B 33 30.216 -16.980 -9.077 1.00 44.25 C ATOM 1130 CD1 ILE B 33 28.530 -16.025 -11.375 1.00 63.23 C ATOM 0 H ILE B 33 26.325 -17.858 -9.274 1.00 33.21 H new ATOM 0 HA ILE B 33 28.649 -18.620 -10.629 1.00 4.21 H new ATOM 0 HB ILE B 33 28.342 -17.013 -8.059 1.00 4.41 H new ATOM 0 HG12 ILE B 33 26.981 -16.135 -9.913 1.00 74.01 H new ATOM 0 HG13 ILE B 33 28.292 -15.050 -9.493 1.00 74.01 H new ATOM 0 HG21 ILE B 33 30.489 -15.993 -8.704 1.00 44.25 H new ATOM 0 HG22 ILE B 33 30.649 -17.744 -8.431 1.00 44.25 H new ATOM 0 HG23 ILE B 33 30.597 -17.103 -10.091 1.00 44.25 H new ATOM 0 HD11 ILE B 33 28.038 -15.219 -11.919 1.00 63.23 H new ATOM 0 HD12 ILE B 33 29.610 -15.879 -11.409 1.00 63.23 H new ATOM 0 HD13 ILE B 33 28.278 -16.980 -11.835 1.00 63.23 H new ATOM 1142 N VAL B 34 28.291 -19.862 -7.595 1.00 65.04 N ATOM 1143 CA VAL B 34 28.793 -20.868 -6.666 1.00 34.20 C ATOM 1144 C VAL B 34 28.918 -22.227 -7.344 1.00 44.13 C ATOM 1145 O VAL B 34 29.978 -22.853 -7.314 1.00 72.22 O ATOM 1146 CB VAL B 34 27.877 -21.003 -5.435 1.00 24.51 C ATOM 1147 CG1 VAL B 34 28.472 -21.977 -4.431 1.00 24.53 C ATOM 1148 CG2 VAL B 34 27.641 -19.643 -4.796 1.00 24.41 C ATOM 0 H VAL B 34 27.426 -19.410 -7.299 1.00 65.04 H new ATOM 0 HA VAL B 34 29.779 -20.535 -6.341 1.00 34.20 H new ATOM 0 HB VAL B 34 26.915 -21.398 -5.761 1.00 24.51 H new ATOM 0 HG11 VAL B 34 27.811 -22.059 -3.568 1.00 24.53 H new ATOM 0 HG12 VAL B 34 28.585 -22.956 -4.897 1.00 24.53 H new ATOM 0 HG13 VAL B 34 29.448 -21.615 -4.107 1.00 24.53 H new ATOM 0 HG21 VAL B 34 26.992 -19.757 -3.928 1.00 24.41 H new ATOM 0 HG22 VAL B 34 28.595 -19.218 -4.483 1.00 24.41 H new ATOM 0 HG23 VAL B 34 27.167 -18.979 -5.519 1.00 24.41 H new ATOM 1158 N ILE B 35 27.829 -22.679 -7.957 1.00 3.34 N ATOM 1159 CA ILE B 35 27.816 -23.964 -8.644 1.00 33.00 C ATOM 1160 C ILE B 35 28.883 -24.015 -9.733 1.00 44.55 C ATOM 1161 O ILE B 35 29.524 -25.046 -9.943 1.00 3.43 O ATOM 1162 CB ILE B 35 26.442 -24.253 -9.275 1.00 62.11 C ATOM 1163 CG1 ILE B 35 25.352 -24.245 -8.200 1.00 20.03 C ATOM 1164 CG2 ILE B 35 26.464 -25.588 -10.004 1.00 51.44 C ATOM 1165 CD1 ILE B 35 25.547 -25.299 -7.134 1.00 34.21 C ATOM 0 H ILE B 35 26.944 -22.174 -7.992 1.00 3.34 H new ATOM 0 HA ILE B 35 28.028 -24.725 -7.893 1.00 33.00 H new ATOM 0 HB ILE B 35 26.219 -23.470 -9.999 1.00 62.11 H new ATOM 0 HG12 ILE B 35 25.326 -23.263 -7.728 1.00 20.03 H new ATOM 0 HG13 ILE B 35 24.383 -24.396 -8.676 1.00 20.03 H new ATOM 0 HG21 ILE B 35 25.485 -25.778 -10.445 1.00 51.44 H new ATOM 0 HG22 ILE B 35 27.217 -25.560 -10.791 1.00 51.44 H new ATOM 0 HG23 ILE B 35 26.705 -26.384 -9.299 1.00 51.44 H new ATOM 0 HD11 ILE B 35 24.738 -25.234 -6.406 1.00 34.21 H new ATOM 0 HD12 ILE B 35 25.543 -26.287 -7.594 1.00 34.21 H new ATOM 0 HD13 ILE B 35 26.501 -25.136 -6.632 1.00 34.21 H new ATOM 1177 N THR B 36 29.072 -22.894 -10.423 1.00 75.45 N ATOM 1178 CA THR B 36 30.061 -22.810 -11.489 1.00 63.13 C ATOM 1179 C THR B 36 31.470 -23.033 -10.951 1.00 60.44 C ATOM 1180 O THR B 36 32.249 -23.797 -11.522 1.00 74.33 O ATOM 1181 CB THR B 36 30.006 -21.444 -12.199 1.00 71.44 C ATOM 1182 OG1 THR B 36 28.704 -21.234 -12.758 1.00 5.23 O ATOM 1183 CG2 THR B 36 31.053 -21.364 -13.299 1.00 0.52 C ATOM 0 H THR B 36 28.552 -22.031 -10.262 1.00 75.45 H new ATOM 0 HA THR B 36 29.820 -23.595 -12.206 1.00 63.13 H new ATOM 0 HB THR B 36 30.215 -20.668 -11.462 1.00 71.44 H new ATOM 0 HG1 THR B 36 28.068 -21.035 -12.040 1.00 5.23 H new ATOM 0 HG21 THR B 36 30.995 -20.391 -13.786 1.00 0.52 H new ATOM 0 HG22 THR B 36 32.045 -21.495 -12.867 1.00 0.52 H new ATOM 0 HG23 THR B 36 30.870 -22.149 -14.033 1.00 0.52 H new ATOM 1191 N LEU B 37 31.790 -22.364 -9.850 1.00 70.42 N ATOM 1192 CA LEU B 37 33.107 -22.491 -9.234 1.00 13.33 C ATOM 1193 C LEU B 37 33.377 -23.933 -8.818 1.00 71.54 C ATOM 1194 O LEU B 37 34.447 -24.478 -9.089 1.00 74.21 O ATOM 1195 CB LEU B 37 33.213 -21.570 -8.016 1.00 42.54 C ATOM 1196 CG LEU B 37 34.473 -21.725 -7.165 1.00 54.52 C ATOM 1197 CD1 LEU B 37 34.936 -20.372 -6.646 1.00 30.11 C ATOM 1198 CD2 LEU B 37 34.222 -22.684 -6.011 1.00 43.10 C ATOM 0 H LEU B 37 31.157 -21.728 -9.365 1.00 70.42 H new ATOM 0 HA LEU B 37 33.855 -22.198 -9.971 1.00 13.33 H new ATOM 0 HB2 LEU B 37 33.156 -20.537 -8.360 1.00 42.54 H new ATOM 0 HB3 LEU B 37 32.345 -21.742 -7.379 1.00 42.54 H new ATOM 0 HG LEU B 37 35.263 -22.141 -7.791 1.00 54.52 H new ATOM 0 HD11 LEU B 37 35.834 -20.502 -6.042 1.00 30.11 H new ATOM 0 HD12 LEU B 37 35.156 -19.715 -7.488 1.00 30.11 H new ATOM 0 HD13 LEU B 37 34.150 -19.928 -6.036 1.00 30.11 H new ATOM 0 HD21 LEU B 37 35.130 -22.782 -5.416 1.00 43.10 H new ATOM 0 HD22 LEU B 37 33.418 -22.297 -5.385 1.00 43.10 H new ATOM 0 HD23 LEU B 37 33.938 -23.660 -6.404 1.00 43.10 H new ATOM 1210 N VAL B 38 32.399 -24.548 -8.160 1.00 74.15 N ATOM 1211 CA VAL B 38 32.530 -25.928 -7.710 1.00 2.23 C ATOM 1212 C VAL B 38 32.848 -26.858 -8.876 1.00 45.44 C ATOM 1213 O VAL B 38 33.670 -27.765 -8.752 1.00 14.02 O ATOM 1214 CB VAL B 38 31.246 -26.415 -7.014 1.00 11.23 C ATOM 1215 CG1 VAL B 38 31.461 -27.788 -6.395 1.00 20.41 C ATOM 1216 CG2 VAL B 38 30.795 -25.412 -5.963 1.00 31.42 C ATOM 0 H VAL B 38 31.507 -24.112 -7.927 1.00 74.15 H new ATOM 0 HA VAL B 38 33.353 -25.952 -6.995 1.00 2.23 H new ATOM 0 HB VAL B 38 30.459 -26.500 -7.763 1.00 11.23 H new ATOM 0 HG11 VAL B 38 30.543 -28.115 -5.908 1.00 20.41 H new ATOM 0 HG12 VAL B 38 31.732 -28.500 -7.174 1.00 20.41 H new ATOM 0 HG13 VAL B 38 32.263 -27.734 -5.659 1.00 20.41 H new ATOM 0 HG21 VAL B 38 29.886 -25.773 -5.482 1.00 31.42 H new ATOM 0 HG22 VAL B 38 31.579 -25.292 -5.215 1.00 31.42 H new ATOM 0 HG23 VAL B 38 30.597 -24.451 -6.438 1.00 31.42 H new ATOM 1226 N MET B 39 32.191 -26.625 -10.007 1.00 64.54 N ATOM 1227 CA MET B 39 32.405 -27.442 -11.197 1.00 75.40 C ATOM 1228 C MET B 39 33.748 -27.117 -11.844 1.00 62.05 C ATOM 1229 O MET B 39 34.491 -28.015 -12.240 1.00 45.22 O ATOM 1230 CB MET B 39 31.274 -27.222 -12.203 1.00 30.12 C ATOM 1231 CG MET B 39 31.636 -27.626 -13.622 1.00 4.42 C ATOM 1232 SD MET B 39 30.195 -27.751 -14.698 1.00 62.03 S ATOM 1233 CE MET B 39 30.151 -26.101 -15.397 1.00 5.11 C ATOM 0 H MET B 39 31.506 -25.878 -10.125 1.00 64.54 H new ATOM 0 HA MET B 39 32.412 -28.489 -10.893 1.00 75.40 H new ATOM 0 HB2 MET B 39 30.400 -27.790 -11.884 1.00 30.12 H new ATOM 0 HB3 MET B 39 30.991 -26.169 -12.195 1.00 30.12 H new ATOM 0 HG2 MET B 39 32.332 -26.897 -14.037 1.00 4.42 H new ATOM 0 HG3 MET B 39 32.154 -28.585 -13.602 1.00 4.42 H new ATOM 0 HE1 MET B 39 29.311 -26.020 -16.086 1.00 5.11 H new ATOM 0 HE2 MET B 39 30.036 -25.370 -14.597 1.00 5.11 H new ATOM 0 HE3 MET B 39 31.080 -25.908 -15.933 1.00 5.11 H new ATOM 1243 N LEU B 40 34.052 -25.828 -11.949 1.00 73.54 N ATOM 1244 CA LEU B 40 35.306 -25.385 -12.550 1.00 15.22 C ATOM 1245 C LEU B 40 36.503 -25.924 -11.772 1.00 21.40 C ATOM 1246 O LEU B 40 37.533 -26.263 -12.354 1.00 31.53 O ATOM 1247 CB LEU B 40 35.359 -23.856 -12.595 1.00 21.30 C ATOM 1248 CG LEU B 40 35.764 -23.239 -13.935 1.00 24.04 C ATOM 1249 CD1 LEU B 40 35.915 -21.732 -13.804 1.00 34.54 C ATOM 1250 CD2 LEU B 40 37.057 -23.864 -14.440 1.00 61.34 C ATOM 0 H LEU B 40 33.448 -25.072 -11.626 1.00 73.54 H new ATOM 0 HA LEU B 40 35.352 -25.775 -13.567 1.00 15.22 H new ATOM 0 HB2 LEU B 40 34.377 -23.470 -12.322 1.00 21.30 H new ATOM 0 HB3 LEU B 40 36.060 -23.514 -11.833 1.00 21.30 H new ATOM 0 HG LEU B 40 34.977 -23.443 -14.661 1.00 24.04 H new ATOM 0 HD11 LEU B 40 36.203 -21.310 -14.767 1.00 34.54 H new ATOM 0 HD12 LEU B 40 34.967 -21.298 -13.487 1.00 34.54 H new ATOM 0 HD13 LEU B 40 36.683 -21.506 -13.064 1.00 34.54 H new ATOM 0 HD21 LEU B 40 37.330 -23.414 -15.394 1.00 61.34 H new ATOM 0 HD22 LEU B 40 37.852 -23.690 -13.715 1.00 61.34 H new ATOM 0 HD23 LEU B 40 36.915 -24.937 -14.573 1.00 61.34 H new ATOM 1262 N LYS B 41 36.358 -26.001 -10.453 1.00 1.44 N ATOM 1263 CA LYS B 41 37.425 -26.503 -9.595 1.00 5.03 C ATOM 1264 C LYS B 41 37.481 -28.026 -9.629 1.00 34.12 C ATOM 1265 O LYS B 41 38.536 -28.624 -9.415 1.00 50.41 O ATOM 1266 CB LYS B 41 37.219 -26.021 -8.157 1.00 51.44 C ATOM 1267 CG LYS B 41 37.540 -24.550 -7.956 1.00 43.13 C ATOM 1268 CD LYS B 41 38.804 -24.363 -7.133 1.00 25.43 C ATOM 1269 CE LYS B 41 38.484 -24.162 -5.658 1.00 71.12 C ATOM 1270 NZ LYS B 41 39.354 -24.995 -4.784 1.00 71.01 N1+ ATOM 0 H LYS B 41 35.512 -25.722 -9.955 1.00 1.44 H new ATOM 0 HA LYS B 41 38.372 -26.115 -9.970 1.00 5.03 H new ATOM 0 HB2 LYS B 41 36.184 -26.201 -7.867 1.00 51.44 H new ATOM 0 HB3 LYS B 41 37.844 -26.615 -7.491 1.00 51.44 H new ATOM 0 HG2 LYS B 41 37.661 -24.067 -8.926 1.00 43.13 H new ATOM 0 HG3 LYS B 41 36.704 -24.059 -7.458 1.00 43.13 H new ATOM 0 HD2 LYS B 41 39.449 -25.234 -7.251 1.00 25.43 H new ATOM 0 HD3 LYS B 41 39.359 -23.502 -7.507 1.00 25.43 H new ATOM 0 HE2 LYS B 41 38.609 -23.111 -5.399 1.00 71.12 H new ATOM 0 HE3 LYS B 41 37.439 -24.413 -5.476 1.00 71.12 H new ATOM 0 HZ1 LYS B 41 39.105 -24.830 -3.788 1.00 71.01 H new ATOM 0 HZ2 LYS B 41 39.216 -26.000 -5.013 1.00 71.01 H new ATOM 0 HZ3 LYS B 41 40.350 -24.738 -4.939 1.00 71.01 H new ATOM 1284 N LYS B 42 36.339 -28.650 -9.899 1.00 21.54 N ATOM 1285 CA LYS B 42 36.258 -30.104 -9.965 1.00 4.10 C ATOM 1286 C LYS B 42 34.883 -30.550 -10.453 1.00 72.03 C ATOM 1287 O LYS B 42 33.857 -30.034 -10.009 1.00 14.21 O ATOM 1288 CB LYS B 42 36.545 -30.713 -8.591 1.00 31.40 C ATOM 1289 CG LYS B 42 35.471 -30.419 -7.557 1.00 25.41 C ATOM 1290 CD LYS B 42 35.917 -30.817 -6.161 1.00 31.35 C ATOM 1291 CE LYS B 42 34.816 -31.555 -5.414 1.00 35.24 C ATOM 1292 NZ LYS B 42 35.367 -32.576 -4.480 1.00 52.23 N1+ ATOM 0 H LYS B 42 35.456 -28.171 -10.076 1.00 21.54 H new ATOM 0 HA LYS B 42 37.007 -30.454 -10.675 1.00 4.10 H new ATOM 0 HB2 LYS B 42 36.650 -31.793 -8.697 1.00 31.40 H new ATOM 0 HB3 LYS B 42 37.500 -30.334 -8.228 1.00 31.40 H new ATOM 0 HG2 LYS B 42 35.230 -29.356 -7.574 1.00 25.41 H new ATOM 0 HG3 LYS B 42 34.559 -30.957 -7.816 1.00 25.41 H new ATOM 0 HD2 LYS B 42 36.801 -31.451 -6.227 1.00 31.35 H new ATOM 0 HD3 LYS B 42 36.204 -29.927 -5.602 1.00 31.35 H new ATOM 0 HE2 LYS B 42 34.214 -30.839 -4.855 1.00 35.24 H new ATOM 0 HE3 LYS B 42 34.152 -32.039 -6.131 1.00 35.24 H new ATOM 0 HZ1 LYS B 42 34.585 -33.057 -3.991 1.00 52.23 H new ATOM 0 HZ2 LYS B 42 35.921 -33.274 -5.016 1.00 52.23 H new ATOM 0 HZ3 LYS B 42 35.980 -32.111 -3.780 1.00 52.23 H new ATOM 1306 N LYS B 43 34.870 -31.514 -11.368 1.00 0.51 N ATOM 1307 CA LYS B 43 33.621 -32.032 -11.915 1.00 0.04 C ATOM 1308 C LYS B 43 32.865 -30.945 -12.671 1.00 33.40 C ATOM 1309 O LYS B 43 33.212 -30.606 -13.803 1.00 23.41 O ATOM 1310 CB LYS B 43 32.744 -32.594 -10.795 1.00 2.50 C ATOM 1311 CG LYS B 43 32.178 -33.970 -11.097 1.00 4.20 C ATOM 1312 CD LYS B 43 30.658 -33.957 -11.106 1.00 35.43 C ATOM 1313 CE LYS B 43 30.090 -35.360 -11.269 1.00 12.12 C ATOM 1314 NZ LYS B 43 29.292 -35.493 -12.520 1.00 4.51 N1+ ATOM 0 H LYS B 43 35.710 -31.952 -11.746 1.00 0.51 H new ATOM 0 HA LYS B 43 33.864 -32.833 -12.614 1.00 0.04 H new ATOM 0 HB2 LYS B 43 33.330 -32.645 -9.877 1.00 2.50 H new ATOM 0 HB3 LYS B 43 31.920 -31.905 -10.609 1.00 2.50 H new ATOM 0 HG2 LYS B 43 32.546 -34.312 -12.065 1.00 4.20 H new ATOM 0 HG3 LYS B 43 32.532 -34.682 -10.352 1.00 4.20 H new ATOM 0 HD2 LYS B 43 30.291 -33.520 -10.177 1.00 35.43 H new ATOM 0 HD3 LYS B 43 30.303 -33.323 -11.918 1.00 35.43 H new ATOM 0 HE2 LYS B 43 30.906 -36.083 -11.280 1.00 12.12 H new ATOM 0 HE3 LYS B 43 29.463 -35.600 -10.411 1.00 12.12 H new ATOM 0 HZ1 LYS B 43 28.922 -36.462 -12.595 1.00 4.51 H new ATOM 0 HZ2 LYS B 43 28.499 -34.821 -12.499 1.00 4.51 H new ATOM 0 HZ3 LYS B 43 29.897 -35.289 -13.341 1.00 4.51 H new TER 1328 LYS B 43