USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 931 hydrogens (64 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 62 THR OG1 : rot -170:sc= -0.535 USER MOD Set 1.2: A 92 SER OG : rot -170:sc= -0.734 USER MOD Set 2.1: A 30 GLN : amide:sc= -4.39 K(o=-8.1,f=-13!) USER MOD Set 2.2: A 32 ASN : amide:sc= -1.48 K(o=-8.1,f=-12!) USER MOD Set 2.3: A 41 GLN : amide:sc= -2.24 K(o=-8.1,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -119:sc= -0.628 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -131:sc= 0.507 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= -0.143 (180deg=-0.844) USER MOD Single : A 53 GLN : amide:sc= -1.32! X(o=-1.3!,f=-0.84) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 64 THR OG1 : rot -160:sc= -1.11 USER MOD Single : A 70 MET CE :methyl -124:sc= -5.64 (180deg=-11.2!) USER MOD Single : A 74 SER OG : rot 123:sc= -0.932 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot -47:sc= 0.481 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00854 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0297 X(o=-0.03,f=-0.49) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.22) USER MOD Single : A 110 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.0056) USER MOD Single : A 111 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-0.78) USER MOD Single : A 201 PLM O1 : rot 15:sc= -1.49! USER MOD Single : A 202 PLM O1 : rot -30:sc= -0.718 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.366 0.843 0.768 1.00 30.34 N ATOM 2 CA MET A 1 1.483 0.012 -0.425 1.00 43.23 C ATOM 3 C MET A 1 2.731 -0.861 -0.359 1.00 31.55 C ATOM 4 O MET A 1 3.836 -0.402 -0.646 1.00 14.10 O ATOM 5 CB MET A 1 1.524 0.888 -1.679 1.00 53.32 C ATOM 6 CG MET A 1 0.148 1.308 -2.173 1.00 61.53 C ATOM 7 SD MET A 1 0.229 2.471 -3.547 1.00 43.22 S ATOM 8 CE MET A 1 -1.475 3.018 -3.628 1.00 4.20 C ATOM 0 H1 MET A 1 0.509 1.429 0.701 1.00 30.34 H new ATOM 0 H2 MET A 1 1.305 0.235 1.610 1.00 30.34 H new ATOM 0 H3 MET A 1 2.201 1.459 0.846 1.00 30.34 H new ATOM 0 HA MET A 1 0.609 -0.638 -0.473 1.00 43.23 H new ATOM 0 HB2 MET A 1 2.114 1.780 -1.470 1.00 53.32 H new ATOM 0 HB3 MET A 1 2.037 0.346 -2.474 1.00 53.32 H new ATOM 0 HG2 MET A 1 -0.408 0.423 -2.483 1.00 61.53 H new ATOM 0 HG3 MET A 1 -0.406 1.761 -1.351 1.00 61.53 H new ATOM 0 HE1 MET A 1 -1.586 3.744 -4.433 1.00 4.20 H new ATOM 0 HE2 MET A 1 -2.123 2.163 -3.819 1.00 4.20 H new ATOM 0 HE3 MET A 1 -1.754 3.481 -2.681 1.00 4.20 H new ATOM 18 N SER A 2 2.547 -2.121 0.022 1.00 23.13 N ATOM 19 CA SER A 2 3.660 -3.058 0.128 1.00 70.22 C ATOM 20 C SER A 2 3.496 -4.211 -0.857 1.00 60.42 C ATOM 21 O SER A 2 2.621 -4.184 -1.722 1.00 33.03 O ATOM 22 CB SER A 2 3.761 -3.602 1.555 1.00 14.01 C ATOM 23 OG SER A 2 3.844 -2.547 2.498 1.00 44.23 O ATOM 0 H SER A 2 1.638 -2.517 0.262 1.00 23.13 H new ATOM 0 HA SER A 2 4.578 -2.523 -0.116 1.00 70.22 H new ATOM 0 HB2 SER A 2 2.892 -4.222 1.774 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.639 -4.242 1.642 1.00 14.01 H new ATOM 0 HG SER A 2 3.906 -2.920 3.402 1.00 44.23 H new ATOM 29 N VAL A 3 4.347 -5.223 -0.720 1.00 5.10 N ATOM 30 CA VAL A 3 4.298 -6.387 -1.597 1.00 74.43 C ATOM 31 C VAL A 3 2.868 -6.887 -1.766 1.00 53.33 C ATOM 32 O VAL A 3 2.506 -7.417 -2.815 1.00 14.34 O ATOM 33 CB VAL A 3 5.172 -7.534 -1.056 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.493 -8.212 0.125 1.00 62.02 C ATOM 35 CG2 VAL A 3 5.473 -8.539 -2.158 1.00 71.40 C ATOM 0 H VAL A 3 5.079 -5.260 -0.010 1.00 5.10 H new ATOM 0 HA VAL A 3 4.686 -6.071 -2.565 1.00 74.43 H new ATOM 0 HB VAL A 3 6.117 -7.115 -0.709 1.00 11.31 H new ATOM 0 HG11 VAL A 3 5.125 -9.020 0.494 1.00 62.02 H new ATOM 0 HG12 VAL A 3 4.334 -7.484 0.920 1.00 62.02 H new ATOM 0 HG13 VAL A 3 3.533 -8.619 -0.192 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.091 -9.343 -1.758 1.00 71.40 H new ATOM 0 HG22 VAL A 3 4.539 -8.954 -2.537 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.004 -8.041 -2.969 1.00 71.40 H new ATOM 45 N GLU A 4 2.061 -6.717 -0.724 1.00 43.03 N ATOM 46 CA GLU A 4 0.669 -7.152 -0.757 1.00 11.43 C ATOM 47 C GLU A 4 -0.093 -6.452 -1.879 1.00 22.33 C ATOM 48 O GLU A 4 -0.797 -7.092 -2.660 1.00 35.51 O ATOM 49 CB GLU A 4 -0.008 -6.874 0.586 1.00 73.40 C ATOM 50 CG GLU A 4 -1.474 -7.271 0.623 1.00 34.13 C ATOM 51 CD GLU A 4 -2.080 -7.140 2.007 1.00 73.21 C ATOM 52 OE1 GLU A 4 -2.805 -8.066 2.426 1.00 60.22 O ATOM 53 OE2 GLU A 4 -1.830 -6.112 2.670 1.00 42.52 O1- ATOM 0 H GLU A 4 2.346 -6.282 0.153 1.00 43.03 H new ATOM 0 HA GLU A 4 0.655 -8.225 -0.946 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.525 -7.412 1.370 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.078 -5.811 0.813 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -2.033 -6.647 -0.075 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.576 -8.301 0.282 1.00 34.13 H new ATOM 60 N THR A 5 0.052 -5.133 -1.951 1.00 74.04 N ATOM 61 CA THR A 5 -0.623 -4.344 -2.974 1.00 61.14 C ATOM 62 C THR A 5 -0.072 -4.656 -4.361 1.00 11.11 C ATOM 63 O THR A 5 -0.733 -4.409 -5.370 1.00 53.10 O ATOM 64 CB THR A 5 -0.482 -2.834 -2.704 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.208 -2.608 -1.317 1.00 72.15 O ATOM 66 CG2 THR A 5 -1.746 -2.092 -3.106 1.00 71.31 C ATOM 0 H THR A 5 0.631 -4.588 -1.312 1.00 74.04 H new ATOM 0 HA THR A 5 -1.678 -4.614 -2.936 1.00 61.14 H new ATOM 0 HB THR A 5 0.346 -2.456 -3.303 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.925 -2.066 -0.926 1.00 72.15 H new ATOM 0 HG21 THR A 5 -1.622 -1.028 -2.906 1.00 71.31 H new ATOM 0 HG22 THR A 5 -1.933 -2.242 -4.169 1.00 71.31 H new ATOM 0 HG23 THR A 5 -2.590 -2.473 -2.532 1.00 71.31 H new ATOM 74 N ILE A 6 1.139 -5.199 -4.403 1.00 14.44 N ATOM 75 CA ILE A 6 1.778 -5.546 -5.667 1.00 13.03 C ATOM 76 C ILE A 6 1.210 -6.844 -6.231 1.00 73.35 C ATOM 77 O ILE A 6 0.839 -6.914 -7.403 1.00 33.51 O ATOM 78 CB ILE A 6 3.302 -5.692 -5.506 1.00 41.41 C ATOM 79 CG1 ILE A 6 3.868 -4.515 -4.709 1.00 24.24 C ATOM 80 CG2 ILE A 6 3.971 -5.788 -6.869 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.501 -3.164 -5.285 1.00 64.21 C ATOM 0 H ILE A 6 1.698 -5.409 -3.576 1.00 14.44 H new ATOM 0 HA ILE A 6 1.571 -4.730 -6.360 1.00 13.03 H new ATOM 0 HB ILE A 6 3.509 -6.610 -4.956 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.506 -4.574 -3.683 1.00 24.24 H new ATOM 0 HG13 ILE A 6 4.954 -4.602 -4.670 1.00 24.24 H new ATOM 0 HG21 ILE A 6 5.048 -5.891 -6.739 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.585 -6.656 -7.403 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.759 -4.886 -7.443 1.00 42.51 H new ATOM 0 HD11 ILE A 6 3.936 -2.376 -4.670 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.886 -3.085 -6.302 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.416 -3.057 -5.299 1.00 64.21 H new ATOM 93 N ILE A 7 1.143 -7.869 -5.388 1.00 51.41 N ATOM 94 CA ILE A 7 0.618 -9.165 -5.802 1.00 0.02 C ATOM 95 C ILE A 7 -0.891 -9.105 -6.011 1.00 53.31 C ATOM 96 O ILE A 7 -1.437 -9.804 -6.863 1.00 54.10 O ATOM 97 CB ILE A 7 0.939 -10.259 -4.767 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.446 -10.524 -4.723 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.181 -11.537 -5.096 1.00 54.25 C ATOM 100 CD1 ILE A 7 3.012 -11.012 -6.037 1.00 52.51 C ATOM 0 H ILE A 7 1.445 -7.827 -4.415 1.00 51.41 H new ATOM 0 HA ILE A 7 1.103 -9.416 -6.745 1.00 0.02 H new ATOM 0 HB ILE A 7 0.621 -9.913 -3.784 1.00 13.24 H new ATOM 0 HG12 ILE A 7 2.960 -9.607 -4.434 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.654 -11.264 -3.950 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.418 -12.301 -4.356 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.891 -11.338 -5.082 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.472 -11.888 -6.086 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.084 -11.179 -5.932 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.525 -11.946 -6.318 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.835 -10.264 -6.810 1.00 52.51 H new ATOM 112 N GLU A 8 -1.558 -8.263 -5.227 1.00 35.43 N ATOM 113 CA GLU A 8 -3.005 -8.111 -5.327 1.00 71.25 C ATOM 114 C GLU A 8 -3.416 -7.744 -6.750 1.00 71.52 C ATOM 115 O GLU A 8 -4.501 -8.104 -7.207 1.00 32.54 O ATOM 116 CB GLU A 8 -3.497 -7.042 -4.349 1.00 71.25 C ATOM 117 CG GLU A 8 -3.428 -5.630 -4.907 1.00 15.12 C ATOM 118 CD GLU A 8 -4.692 -5.232 -5.646 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.547 -6.114 -5.875 1.00 75.25 O ATOM 120 OE2 GLU A 8 -4.827 -4.041 -5.994 1.00 14.41 O1- ATOM 0 H GLU A 8 -1.120 -7.677 -4.517 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.464 -9.066 -5.070 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -4.527 -7.263 -4.069 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -2.901 -7.093 -3.438 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.253 -4.929 -4.091 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -2.576 -5.552 -5.583 1.00 15.12 H new ATOM 127 N ARG A 9 -2.542 -7.023 -7.445 1.00 14.15 N ATOM 128 CA ARG A 9 -2.814 -6.604 -8.815 1.00 33.34 C ATOM 129 C ARG A 9 -2.627 -7.766 -9.786 1.00 22.34 C ATOM 130 O ARG A 9 -3.322 -7.860 -10.797 1.00 52.23 O ATOM 131 CB ARG A 9 -1.897 -5.445 -9.208 1.00 41.22 C ATOM 132 CG ARG A 9 -2.272 -4.793 -10.529 1.00 63.41 C ATOM 133 CD ARG A 9 -1.663 -3.406 -10.658 1.00 44.44 C ATOM 134 NE ARG A 9 -2.671 -2.391 -10.950 1.00 1.20 N ATOM 135 CZ ARG A 9 -3.440 -1.830 -10.024 1.00 43.43 C ATOM 136 NH1 ARG A 9 -3.316 -2.184 -8.752 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -4.335 -0.914 -10.368 1.00 51.24 N ATOM 0 H ARG A 9 -1.639 -6.717 -7.082 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.851 -6.272 -8.868 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.920 -4.691 -8.421 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -0.872 -5.809 -9.270 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -1.932 -5.419 -11.354 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.357 -4.724 -10.607 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -1.147 -3.149 -9.733 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -0.914 -3.411 -11.450 1.00 44.44 H new ATOM 0 HE ARG A 9 -2.791 -2.096 -11.919 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -2.629 -2.888 -8.483 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -3.908 -1.752 -8.042 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -4.434 -0.639 -11.345 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -4.925 -0.484 -9.655 1.00 51.24 H new ATOM 151 N ILE A 10 -1.684 -8.648 -9.470 1.00 40.41 N ATOM 152 CA ILE A 10 -1.407 -9.803 -10.314 1.00 14.34 C ATOM 153 C ILE A 10 -2.573 -10.784 -10.304 1.00 62.03 C ATOM 154 O ILE A 10 -3.127 -11.119 -11.352 1.00 74.00 O ATOM 155 CB ILE A 10 -0.130 -10.536 -9.863 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.042 -9.556 -9.772 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.196 -11.672 -10.822 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.271 -10.143 -9.113 1.00 13.02 C ATOM 0 H ILE A 10 -1.100 -8.584 -8.636 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.262 -9.426 -11.326 1.00 14.34 H new ATOM 0 HB ILE A 10 -0.303 -10.960 -8.874 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.303 -9.220 -10.776 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.726 -8.675 -9.213 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.101 -12.180 -10.490 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.632 -12.381 -10.841 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.353 -11.270 -11.823 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.061 -9.393 -9.083 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.026 -10.453 -8.097 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.612 -11.007 -9.684 1.00 13.02 H new ATOM 170 N LYS A 11 -2.944 -11.241 -9.113 1.00 61.13 N ATOM 171 CA LYS A 11 -4.047 -12.183 -8.964 1.00 50.23 C ATOM 172 C LYS A 11 -5.306 -11.660 -9.650 1.00 62.52 C ATOM 173 O LYS A 11 -6.089 -12.431 -10.201 1.00 43.22 O ATOM 174 CB LYS A 11 -4.331 -12.438 -7.482 1.00 4.34 C ATOM 175 CG LYS A 11 -4.348 -11.174 -6.639 1.00 75.22 C ATOM 176 CD LYS A 11 -5.232 -11.333 -5.414 1.00 21.30 C ATOM 177 CE LYS A 11 -4.411 -11.637 -4.170 1.00 45.52 C ATOM 178 NZ LYS A 11 -5.237 -12.263 -3.101 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.497 -10.974 -8.236 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.757 -13.120 -9.439 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -5.293 -12.941 -7.387 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.575 -13.117 -7.088 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -3.333 -10.930 -6.327 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.706 -10.339 -7.241 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.807 -10.420 -5.258 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -5.949 -12.136 -5.583 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -3.589 -12.303 -4.431 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -3.967 -10.715 -3.793 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -4.642 -12.455 -2.270 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -6.007 -11.617 -2.834 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -5.640 -13.155 -3.452 1.00 13.21 H new ATOM 192 N ALA A 12 -5.491 -10.345 -9.611 1.00 55.14 N ATOM 193 CA ALA A 12 -6.652 -9.718 -10.231 1.00 34.34 C ATOM 194 C ALA A 12 -6.533 -9.726 -11.752 1.00 55.24 C ATOM 195 O ALA A 12 -7.526 -9.890 -12.461 1.00 10.40 O ATOM 196 CB ALA A 12 -6.820 -8.294 -9.721 1.00 45.33 C ATOM 0 H ALA A 12 -4.852 -9.693 -9.157 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.535 -10.296 -9.958 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.691 -7.839 -10.193 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.959 -8.309 -8.640 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.930 -7.713 -9.964 1.00 45.33 H new ATOM 202 N ARG A 13 -5.312 -9.548 -12.246 1.00 1.42 N ATOM 203 CA ARG A 13 -5.065 -9.533 -13.683 1.00 42.34 C ATOM 204 C ARG A 13 -5.141 -10.943 -14.263 1.00 75.41 C ATOM 205 O ARG A 13 -5.871 -11.191 -15.223 1.00 71.34 O ATOM 206 CB ARG A 13 -3.693 -8.923 -13.979 1.00 55.21 C ATOM 207 CG ARG A 13 -3.409 -8.755 -15.463 1.00 12.20 C ATOM 208 CD ARG A 13 -4.164 -7.570 -16.044 1.00 25.52 C ATOM 209 NE ARG A 13 -3.470 -6.308 -15.804 1.00 14.11 N ATOM 210 CZ ARG A 13 -3.942 -5.126 -16.184 1.00 35.11 C ATOM 211 NH1 ARG A 13 -5.104 -5.046 -16.819 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -3.253 -4.022 -15.928 1.00 54.31 N ATOM 0 H ARG A 13 -4.479 -9.412 -11.673 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.837 -8.923 -14.153 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.624 -7.950 -13.492 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.921 -9.555 -13.539 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.339 -8.616 -15.616 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.692 -9.664 -15.994 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -4.294 -7.714 -17.117 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -5.161 -7.525 -15.605 1.00 25.52 H new ATOM 0 HE ARG A 13 -2.574 -6.336 -15.318 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -5.637 -5.893 -17.016 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -5.465 -4.137 -17.110 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -2.360 -4.080 -15.439 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -3.616 -3.115 -16.220 1.00 54.31 H new ATOM 226 N VAL A 14 -4.383 -11.862 -13.673 1.00 22.42 N ATOM 227 CA VAL A 14 -4.366 -13.246 -14.130 1.00 65.13 C ATOM 228 C VAL A 14 -5.780 -13.809 -14.231 1.00 11.41 C ATOM 229 O VAL A 14 -6.141 -14.431 -15.229 1.00 11.41 O ATOM 230 CB VAL A 14 -3.537 -14.138 -13.188 1.00 21.10 C ATOM 231 CG1 VAL A 14 -2.049 -13.913 -13.411 1.00 11.02 C ATOM 232 CG2 VAL A 14 -3.911 -13.873 -11.736 1.00 61.14 C ATOM 0 H VAL A 14 -3.773 -11.673 -12.878 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.906 -13.247 -15.118 1.00 65.13 H new ATOM 0 HB VAL A 14 -3.761 -15.180 -13.414 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -1.479 -14.552 -12.736 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -1.795 -14.157 -14.443 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -1.805 -12.869 -13.214 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -3.315 -14.512 -11.084 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -3.717 -12.828 -11.495 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -4.969 -14.089 -11.588 1.00 61.14 H new ATOM 242 N GLY A 15 -6.576 -13.586 -13.190 1.00 21.44 N ATOM 243 CA GLY A 15 -7.942 -14.076 -13.182 1.00 52.30 C ATOM 244 C GLY A 15 -8.869 -13.223 -14.026 1.00 73.25 C ATOM 245 O GLY A 15 -10.060 -13.515 -14.137 1.00 42.21 O ATOM 0 H GLY A 15 -6.299 -13.075 -12.352 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.959 -15.101 -13.552 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.310 -14.101 -12.156 1.00 52.30 H new ATOM 249 N ALA A 16 -8.323 -12.168 -14.620 1.00 11.20 N ATOM 250 CA ALA A 16 -9.110 -11.271 -15.456 1.00 51.25 C ATOM 251 C ALA A 16 -8.714 -11.400 -16.923 1.00 3.23 C ATOM 252 O ALA A 16 -9.330 -10.792 -17.800 1.00 4.14 O ATOM 253 CB ALA A 16 -8.946 -9.832 -14.988 1.00 14.21 C ATOM 0 H ALA A 16 -7.339 -11.913 -14.538 1.00 11.20 H new ATOM 0 HA ALA A 16 -10.158 -11.554 -15.363 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.540 -9.173 -15.622 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.285 -9.744 -13.956 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.896 -9.546 -15.051 1.00 14.21 H new ATOM 259 N VAL A 17 -7.681 -12.195 -17.185 1.00 61.40 N ATOM 260 CA VAL A 17 -7.203 -12.404 -18.546 1.00 25.41 C ATOM 261 C VAL A 17 -8.349 -12.773 -19.481 1.00 62.03 C ATOM 262 O VAL A 17 -9.217 -13.573 -19.130 1.00 65.32 O ATOM 263 CB VAL A 17 -6.134 -13.511 -18.602 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.922 -13.978 -20.033 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.828 -13.021 -17.994 1.00 53.34 C ATOM 0 H VAL A 17 -7.159 -12.705 -16.472 1.00 61.40 H new ATOM 0 HA VAL A 17 -6.759 -11.463 -18.873 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.486 -14.361 -18.017 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -5.163 -14.760 -20.052 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.858 -14.371 -20.430 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -5.593 -13.138 -20.645 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -4.084 -13.816 -18.042 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -4.470 -12.155 -18.550 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.993 -12.741 -16.954 1.00 53.34 H new ATOM 275 N ASP A 18 -8.347 -12.184 -20.671 1.00 53.03 N ATOM 276 CA ASP A 18 -9.386 -12.452 -21.659 1.00 53.12 C ATOM 277 C ASP A 18 -8.870 -13.381 -22.753 1.00 33.02 C ATOM 278 O ASP A 18 -7.710 -13.313 -23.162 1.00 11.13 O ATOM 279 CB ASP A 18 -9.884 -11.144 -22.275 1.00 41.05 C ATOM 280 CG ASP A 18 -10.881 -10.426 -21.386 1.00 3.44 C ATOM 281 OD1 ASP A 18 -11.724 -11.110 -20.769 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.816 -9.182 -21.306 1.00 43.50 O1- ATOM 0 H ASP A 18 -7.637 -11.517 -20.976 1.00 53.03 H new ATOM 0 HA ASP A 18 -10.216 -12.944 -21.152 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -9.034 -10.489 -22.465 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -10.347 -11.353 -23.239 1.00 41.05 H new ATOM 287 N PRO A 19 -9.749 -14.269 -23.239 1.00 61.33 N ATOM 288 CA PRO A 19 -9.405 -15.229 -24.293 1.00 24.45 C ATOM 289 C PRO A 19 -9.190 -14.555 -25.643 1.00 52.45 C ATOM 290 O PRO A 19 -8.695 -15.173 -26.584 1.00 60.01 O ATOM 291 CB PRO A 19 -10.624 -16.153 -24.343 1.00 44.51 C ATOM 292 CG PRO A 19 -11.748 -15.325 -23.826 1.00 61.04 C ATOM 293 CD PRO A 19 -11.147 -14.406 -22.798 1.00 65.12 C ATOM 0 HA PRO A 19 -8.469 -15.747 -24.083 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -10.820 -16.496 -25.359 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -10.473 -17.042 -23.730 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -12.217 -14.758 -24.630 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -12.523 -15.951 -23.384 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -11.657 -13.443 -22.773 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -11.213 -14.827 -21.795 1.00 65.12 H new ATOM 301 N ASN A 20 -9.567 -13.283 -25.731 1.00 14.21 N ATOM 302 CA ASN A 20 -9.415 -12.525 -26.968 1.00 51.20 C ATOM 303 C ASN A 20 -7.954 -12.154 -27.204 1.00 32.21 C ATOM 304 O ASN A 20 -7.484 -12.132 -28.340 1.00 25.02 O ATOM 305 CB ASN A 20 -10.274 -11.259 -26.923 1.00 64.43 C ATOM 306 CG ASN A 20 -11.503 -11.364 -27.805 1.00 2.35 C ATOM 307 OD1 ASN A 20 -11.658 -10.608 -28.763 1.00 4.13 O ATOM 308 ND2 ASN A 20 -12.385 -12.303 -27.482 1.00 52.44 N ATOM 0 H ASN A 20 -9.980 -12.756 -24.961 1.00 14.21 H new ATOM 0 HA ASN A 20 -9.749 -13.154 -27.793 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -10.583 -11.069 -25.895 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -9.675 -10.405 -27.239 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -13.232 -12.419 -28.038 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -12.215 -12.908 -26.678 1.00 52.44 H new ATOM 315 N GLY A 21 -7.240 -11.863 -26.119 1.00 50.52 N ATOM 316 CA GLY A 21 -5.841 -11.497 -26.229 1.00 62.51 C ATOM 317 C GLY A 21 -4.925 -12.705 -26.236 1.00 11.23 C ATOM 318 O GLY A 21 -4.622 -13.275 -27.284 1.00 25.24 O ATOM 0 H GLY A 21 -7.607 -11.875 -25.167 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -5.689 -10.924 -27.144 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -5.572 -10.846 -25.397 1.00 62.51 H new ATOM 322 N PRO A 22 -4.466 -13.112 -25.043 1.00 62.45 N ATOM 323 CA PRO A 22 -3.572 -14.263 -24.889 1.00 23.24 C ATOM 324 C PRO A 22 -4.273 -15.586 -25.180 1.00 51.52 C ATOM 325 O PRO A 22 -5.374 -15.607 -25.729 1.00 44.23 O ATOM 326 CB PRO A 22 -3.153 -14.193 -23.418 1.00 44.15 C ATOM 327 CG PRO A 22 -4.262 -13.464 -22.743 1.00 54.42 C ATOM 328 CD PRO A 22 -4.787 -12.480 -23.752 1.00 52.42 C ATOM 0 HA PRO A 22 -2.736 -14.225 -25.587 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -3.020 -15.189 -22.996 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -2.205 -13.668 -23.301 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -5.045 -14.153 -22.426 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -3.905 -12.953 -21.849 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -5.859 -12.321 -23.638 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -4.308 -11.506 -23.651 1.00 52.42 H new ATOM 336 N ARG A 23 -3.628 -16.686 -24.809 1.00 3.14 N ATOM 337 CA ARG A 23 -4.191 -18.013 -25.031 1.00 53.14 C ATOM 338 C ARG A 23 -3.880 -18.939 -23.858 1.00 53.31 C ATOM 339 O ARG A 23 -3.019 -18.642 -23.030 1.00 11.32 O ATOM 340 CB ARG A 23 -3.641 -18.612 -26.327 1.00 65.52 C ATOM 341 CG ARG A 23 -4.144 -17.916 -27.580 1.00 43.32 C ATOM 342 CD ARG A 23 -5.662 -17.932 -27.656 1.00 4.23 C ATOM 343 NE ARG A 23 -6.141 -18.407 -28.951 1.00 13.13 N ATOM 344 CZ ARG A 23 -7.384 -18.823 -29.168 1.00 63.53 C ATOM 345 NH1 ARG A 23 -8.269 -18.822 -28.180 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -7.744 -19.240 -30.375 1.00 32.33 N ATOM 0 H ARG A 23 -2.715 -16.686 -24.353 1.00 3.14 H new ATOM 0 HA ARG A 23 -5.273 -17.912 -25.115 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -2.552 -18.563 -26.307 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -3.912 -19.667 -26.374 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -3.789 -16.885 -27.592 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -3.730 -18.406 -28.461 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -6.058 -18.571 -26.867 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -6.044 -16.928 -27.474 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.485 -18.420 -29.732 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -7.996 -18.501 -27.251 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -9.223 -19.142 -28.349 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -7.066 -19.241 -31.137 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -8.699 -19.559 -30.541 1.00 32.33 H new ATOM 360 N LYS A 24 -4.587 -20.061 -23.794 1.00 71.13 N ATOM 361 CA LYS A 24 -4.389 -21.031 -22.724 1.00 41.04 C ATOM 362 C LYS A 24 -3.011 -21.679 -22.826 1.00 22.22 C ATOM 363 O LYS A 24 -2.802 -22.593 -23.623 1.00 21.24 O ATOM 364 CB LYS A 24 -5.474 -22.108 -22.775 1.00 44.53 C ATOM 365 CG LYS A 24 -6.676 -21.802 -21.897 1.00 62.53 C ATOM 366 CD LYS A 24 -7.939 -22.454 -22.435 1.00 63.55 C ATOM 367 CE LYS A 24 -8.020 -23.921 -22.041 1.00 34.31 C ATOM 368 NZ LYS A 24 -8.828 -24.712 -23.010 1.00 63.14 N1+ ATOM 0 H LYS A 24 -5.304 -20.322 -24.472 1.00 71.13 H new ATOM 0 HA LYS A 24 -4.455 -20.503 -21.773 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -5.808 -22.227 -23.806 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.043 -23.061 -22.468 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -6.487 -22.155 -20.883 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -6.819 -20.723 -21.837 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -8.813 -21.925 -22.055 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -7.961 -22.366 -23.521 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -7.014 -24.337 -21.982 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -8.459 -24.006 -21.047 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -8.859 -25.706 -22.706 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -9.795 -24.331 -23.048 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -8.395 -24.652 -23.954 1.00 63.14 H new ATOM 382 N VAL A 25 -2.075 -21.200 -22.012 1.00 32.25 N ATOM 383 CA VAL A 25 -0.718 -21.733 -22.010 1.00 72.11 C ATOM 384 C VAL A 25 -0.503 -22.683 -20.836 1.00 51.12 C ATOM 385 O VAL A 25 -1.373 -22.830 -19.975 1.00 43.45 O ATOM 386 CB VAL A 25 0.329 -20.606 -21.942 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.285 -19.760 -23.206 1.00 11.11 C ATOM 388 CG2 VAL A 25 0.105 -19.746 -20.708 1.00 3.14 C ATOM 0 H VAL A 25 -2.232 -20.444 -21.346 1.00 32.25 H new ATOM 0 HA VAL A 25 -0.592 -22.279 -22.945 1.00 72.11 H new ATOM 0 HB VAL A 25 1.319 -21.056 -21.869 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.032 -18.969 -23.140 1.00 11.11 H new ATOM 0 HG12 VAL A 25 0.497 -20.388 -24.072 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.705 -19.317 -23.313 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.854 -18.954 -20.675 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -0.890 -19.303 -20.749 1.00 3.14 H new ATOM 0 HG23 VAL A 25 0.191 -20.363 -19.814 1.00 3.14 H new ATOM 398 N LEU A 26 0.660 -23.324 -20.806 1.00 52.13 N ATOM 399 CA LEU A 26 0.990 -24.259 -19.736 1.00 53.31 C ATOM 400 C LEU A 26 2.327 -23.903 -19.095 1.00 41.52 C ATOM 401 O LEU A 26 3.284 -23.553 -19.785 1.00 23.31 O ATOM 402 CB LEU A 26 1.036 -25.689 -20.279 1.00 34.22 C ATOM 403 CG LEU A 26 2.012 -25.938 -21.430 1.00 5.53 C ATOM 404 CD1 LEU A 26 2.504 -27.377 -21.409 1.00 50.53 C ATOM 405 CD2 LEU A 26 1.358 -25.615 -22.765 1.00 1.25 C ATOM 0 H LEU A 26 1.390 -23.214 -21.510 1.00 52.13 H new ATOM 0 HA LEU A 26 0.214 -24.191 -18.974 1.00 53.31 H new ATOM 0 HB2 LEU A 26 1.293 -26.360 -19.459 1.00 34.22 H new ATOM 0 HB3 LEU A 26 0.035 -25.962 -20.612 1.00 34.22 H new ATOM 0 HG LEU A 26 2.871 -25.279 -21.302 1.00 5.53 H new ATOM 0 HD11 LEU A 26 3.197 -27.537 -22.235 1.00 50.53 H new ATOM 0 HD12 LEU A 26 3.012 -27.574 -20.465 1.00 50.53 H new ATOM 0 HD13 LEU A 26 1.655 -28.053 -21.512 1.00 50.53 H new ATOM 0 HD21 LEU A 26 2.068 -25.798 -23.572 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.481 -26.247 -22.903 1.00 1.25 H new ATOM 0 HD23 LEU A 26 1.056 -24.568 -22.778 1.00 1.25 H new ATOM 417 N GLY A 27 2.386 -23.997 -17.770 1.00 11.13 N ATOM 418 CA GLY A 27 3.610 -23.683 -17.058 1.00 74.50 C ATOM 419 C GLY A 27 3.351 -22.981 -15.739 1.00 72.22 C ATOM 420 O GLY A 27 2.201 -22.761 -15.361 1.00 33.15 O ATOM 0 H GLY A 27 1.607 -24.285 -17.177 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.165 -24.603 -16.873 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.239 -23.051 -17.685 1.00 74.50 H new ATOM 424 N VAL A 28 4.424 -22.630 -15.036 1.00 0.31 N ATOM 425 CA VAL A 28 4.307 -21.950 -13.752 1.00 11.43 C ATOM 426 C VAL A 28 5.416 -20.920 -13.573 1.00 12.21 C ATOM 427 O VAL A 28 6.547 -21.126 -14.014 1.00 72.43 O ATOM 428 CB VAL A 28 4.355 -22.949 -12.581 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.764 -22.329 -11.325 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.626 -24.233 -12.946 1.00 65.50 C ATOM 0 H VAL A 28 5.383 -22.806 -15.335 1.00 0.31 H new ATOM 0 HA VAL A 28 3.341 -21.444 -13.749 1.00 11.43 H new ATOM 0 HB VAL A 28 5.397 -23.195 -12.379 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.807 -23.050 -10.509 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.335 -21.440 -11.055 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.726 -22.051 -11.510 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.670 -24.927 -12.107 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.585 -24.007 -13.176 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.100 -24.686 -13.817 1.00 65.50 H new ATOM 440 N PHE A 29 5.085 -19.809 -12.923 1.00 21.24 N ATOM 441 CA PHE A 29 6.053 -18.744 -12.686 1.00 24.31 C ATOM 442 C PHE A 29 6.378 -18.626 -11.199 1.00 74.32 C ATOM 443 O PHE A 29 5.513 -18.828 -10.348 1.00 14.41 O ATOM 444 CB PHE A 29 5.516 -17.412 -13.210 1.00 62.43 C ATOM 445 CG PHE A 29 5.349 -17.377 -14.703 1.00 74.23 C ATOM 446 CD1 PHE A 29 6.327 -17.898 -15.534 1.00 73.12 C ATOM 447 CD2 PHE A 29 4.215 -16.823 -15.273 1.00 0.33 C ATOM 448 CE1 PHE A 29 6.176 -17.868 -16.908 1.00 43.11 C ATOM 449 CE2 PHE A 29 4.058 -16.792 -16.646 1.00 64.12 C ATOM 450 CZ PHE A 29 5.041 -17.314 -17.465 1.00 52.54 C ATOM 0 H PHE A 29 4.154 -19.623 -12.551 1.00 21.24 H new ATOM 0 HA PHE A 29 6.969 -18.993 -13.221 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.554 -17.207 -12.740 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.194 -16.613 -12.910 1.00 62.43 H new ATOM 0 HD1 PHE A 29 7.217 -18.332 -15.104 1.00 73.12 H new ATOM 0 HD2 PHE A 29 3.445 -16.411 -14.638 1.00 0.33 H new ATOM 0 HE1 PHE A 29 6.946 -18.278 -17.545 1.00 43.11 H new ATOM 0 HE2 PHE A 29 3.168 -16.360 -17.078 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.922 -17.289 -18.538 1.00 52.54 H new ATOM 460 N GLN A 30 7.630 -18.298 -10.898 1.00 73.10 N ATOM 461 CA GLN A 30 8.069 -18.155 -9.515 1.00 2.03 C ATOM 462 C GLN A 30 8.638 -16.762 -9.266 1.00 32.14 C ATOM 463 O GLN A 30 9.814 -16.504 -9.524 1.00 10.04 O ATOM 464 CB GLN A 30 9.120 -19.215 -9.178 1.00 11.10 C ATOM 465 CG GLN A 30 9.471 -19.275 -7.701 1.00 21.52 C ATOM 466 CD GLN A 30 8.246 -19.368 -6.813 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.255 -20.006 -7.166 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.308 -18.728 -5.650 1.00 1.20 N ATOM 0 H GLN A 30 8.357 -18.126 -11.592 1.00 73.10 H new ATOM 0 HA GLN A 30 7.202 -18.295 -8.869 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.754 -20.191 -9.496 1.00 11.10 H new ATOM 0 HB3 GLN A 30 10.025 -19.012 -9.750 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.113 -20.137 -7.519 1.00 21.52 H new ATOM 0 HG3 GLN A 30 10.044 -18.388 -7.431 1.00 21.52 H new ATOM 0 HE21 GLN A 30 9.150 -18.211 -5.397 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.514 -18.754 -5.011 1.00 1.20 H new ATOM 477 N LEU A 31 7.795 -15.865 -8.765 1.00 65.02 N ATOM 478 CA LEU A 31 8.215 -14.497 -8.482 1.00 54.50 C ATOM 479 C LEU A 31 8.876 -14.403 -7.111 1.00 53.24 C ATOM 480 O LEU A 31 8.353 -14.914 -6.122 1.00 13.04 O ATOM 481 CB LEU A 31 7.014 -13.551 -8.547 1.00 52.25 C ATOM 482 CG LEU A 31 7.198 -12.185 -7.884 1.00 62.25 C ATOM 483 CD1 LEU A 31 8.239 -11.366 -8.629 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.873 -11.440 -7.822 1.00 64.43 C ATOM 0 H LEU A 31 6.818 -16.060 -8.547 1.00 65.02 H new ATOM 0 HA LEU A 31 8.944 -14.203 -9.237 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.758 -13.392 -9.595 1.00 52.25 H new ATOM 0 HB3 LEU A 31 6.161 -14.046 -8.082 1.00 52.25 H new ATOM 0 HG LEU A 31 7.551 -12.341 -6.865 1.00 62.25 H new ATOM 0 HD11 LEU A 31 8.356 -10.398 -8.143 1.00 62.41 H new ATOM 0 HD12 LEU A 31 9.192 -11.894 -8.620 1.00 62.41 H new ATOM 0 HD13 LEU A 31 7.916 -11.218 -9.659 1.00 62.41 H new ATOM 0 HD21 LEU A 31 6.023 -10.470 -7.347 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.490 -11.294 -8.832 1.00 64.43 H new ATOM 0 HD23 LEU A 31 5.156 -12.021 -7.242 1.00 64.43 H new ATOM 496 N ASN A 32 10.030 -13.743 -7.061 1.00 55.44 N ATOM 497 CA ASN A 32 10.762 -13.580 -5.810 1.00 63.23 C ATOM 498 C ASN A 32 11.050 -12.107 -5.536 1.00 53.21 C ATOM 499 O ASN A 32 11.863 -11.485 -6.221 1.00 30.12 O ATOM 500 CB ASN A 32 12.073 -14.367 -5.857 1.00 15.22 C ATOM 501 CG ASN A 32 11.855 -15.838 -6.152 1.00 74.20 C ATOM 502 OD1 ASN A 32 11.908 -16.678 -5.254 1.00 54.54 O ATOM 503 ND2 ASN A 32 11.607 -16.157 -7.418 1.00 41.33 N ATOM 0 H ASN A 32 10.477 -13.313 -7.871 1.00 55.44 H new ATOM 0 HA ASN A 32 10.142 -13.967 -5.002 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.723 -13.939 -6.620 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.590 -14.263 -4.903 1.00 15.22 H new ATOM 0 HD21 ASN A 32 11.451 -17.131 -7.677 1.00 41.33 H new ATOM 0 HD22 ASN A 32 11.572 -15.428 -8.130 1.00 41.33 H new ATOM 510 N ILE A 33 10.377 -11.556 -4.531 1.00 31.21 N ATOM 511 CA ILE A 33 10.562 -10.156 -4.165 1.00 31.14 C ATOM 512 C ILE A 33 11.506 -10.019 -2.975 1.00 52.44 C ATOM 513 O ILE A 33 11.412 -10.770 -2.004 1.00 11.10 O ATOM 514 CB ILE A 33 9.220 -9.482 -3.823 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.215 -9.692 -4.957 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.426 -7.999 -3.557 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.302 -10.879 -4.744 1.00 72.22 C ATOM 0 H ILE A 33 9.699 -12.057 -3.956 1.00 31.21 H new ATOM 0 HA ILE A 33 10.999 -9.658 -5.031 1.00 31.14 H new ATOM 0 HB ILE A 33 8.819 -9.941 -2.919 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.609 -8.793 -5.065 1.00 12.13 H new ATOM 0 HG13 ILE A 33 8.758 -9.825 -5.893 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.469 -7.536 -3.317 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.111 -7.871 -2.719 1.00 60.34 H new ATOM 0 HG23 ILE A 33 9.846 -7.525 -4.444 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.616 -10.967 -5.587 1.00 72.22 H new ATOM 0 HD12 ILE A 33 7.899 -11.788 -4.666 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.732 -10.739 -3.826 1.00 72.22 H new ATOM 529 N LYS A 34 12.414 -9.054 -3.056 1.00 22.24 N ATOM 530 CA LYS A 34 13.374 -8.813 -1.986 1.00 23.21 C ATOM 531 C LYS A 34 12.741 -8.005 -0.858 1.00 44.34 C ATOM 532 O LYS A 34 11.881 -7.155 -1.095 1.00 15.11 O ATOM 533 CB LYS A 34 14.601 -8.077 -2.528 1.00 53.34 C ATOM 534 CG LYS A 34 15.650 -8.999 -3.126 1.00 41.43 C ATOM 535 CD LYS A 34 16.007 -8.592 -4.545 1.00 33.21 C ATOM 536 CE LYS A 34 17.489 -8.793 -4.826 1.00 40.23 C ATOM 537 NZ LYS A 34 17.747 -10.067 -5.552 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.506 -8.424 -3.853 1.00 22.24 H new ATOM 0 HA LYS A 34 13.684 -9.779 -1.588 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.280 -7.365 -3.288 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.054 -7.500 -1.721 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.546 -8.983 -2.506 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.279 -10.024 -3.123 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.419 -9.178 -5.252 1.00 33.21 H new ATOM 0 HD3 LYS A 34 15.744 -7.546 -4.702 1.00 33.21 H new ATOM 0 HE2 LYS A 34 17.864 -7.956 -5.416 1.00 40.23 H new ATOM 0 HE3 LYS A 34 18.040 -8.792 -3.886 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 18.768 -10.168 -5.725 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.412 -10.867 -4.978 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 17.241 -10.057 -6.461 1.00 30.42 H new ATOM 551 N THR A 35 13.170 -8.274 0.371 1.00 41.14 N ATOM 552 CA THR A 35 12.645 -7.572 1.536 1.00 62.04 C ATOM 553 C THR A 35 13.715 -7.411 2.609 1.00 21.21 C ATOM 554 O THR A 35 14.753 -8.071 2.569 1.00 42.41 O ATOM 555 CB THR A 35 11.436 -8.310 2.139 1.00 73.14 C ATOM 556 OG1 THR A 35 11.463 -8.211 3.567 1.00 74.33 O ATOM 557 CG2 THR A 35 11.436 -9.775 1.728 1.00 21.11 C ATOM 0 H THR A 35 13.880 -8.974 0.586 1.00 41.14 H new ATOM 0 HA THR A 35 12.326 -6.587 1.194 1.00 62.04 H new ATOM 0 HB THR A 35 10.528 -7.842 1.760 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.332 -9.099 3.959 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.573 -10.276 2.166 1.00 21.11 H new ATOM 0 HG22 THR A 35 11.385 -9.848 0.642 1.00 21.11 H new ATOM 0 HG23 THR A 35 12.350 -10.252 2.082 1.00 21.11 H new ATOM 565 N ALA A 36 13.455 -6.530 3.570 1.00 32.44 N ATOM 566 CA ALA A 36 14.396 -6.285 4.656 1.00 70.24 C ATOM 567 C ALA A 36 14.589 -7.534 5.508 1.00 54.21 C ATOM 568 O ALA A 36 15.516 -7.612 6.313 1.00 10.51 O ATOM 569 CB ALA A 36 13.916 -5.125 5.517 1.00 11.33 C ATOM 0 H ALA A 36 12.601 -5.974 3.618 1.00 32.44 H new ATOM 0 HA ALA A 36 15.359 -6.025 4.218 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.628 -4.952 6.324 1.00 11.33 H new ATOM 0 HB2 ALA A 36 13.836 -4.226 4.905 1.00 11.33 H new ATOM 0 HB3 ALA A 36 12.940 -5.365 5.939 1.00 11.33 H new ATOM 575 N SER A 37 13.705 -8.511 5.326 1.00 12.43 N ATOM 576 CA SER A 37 13.777 -9.757 6.081 1.00 24.12 C ATOM 577 C SER A 37 14.132 -10.926 5.169 1.00 71.45 C ATOM 578 O SER A 37 13.834 -12.080 5.475 1.00 35.33 O ATOM 579 CB SER A 37 12.444 -10.028 6.783 1.00 74.34 C ATOM 580 OG SER A 37 12.644 -10.692 8.018 1.00 31.32 O ATOM 0 H SER A 37 12.931 -8.464 4.663 1.00 12.43 H new ATOM 0 HA SER A 37 14.561 -9.655 6.831 1.00 24.12 H new ATOM 0 HB2 SER A 37 11.921 -9.087 6.953 1.00 74.34 H new ATOM 0 HB3 SER A 37 11.807 -10.635 6.139 1.00 74.34 H new ATOM 0 HG SER A 37 11.778 -10.852 8.447 1.00 31.32 H new ATOM 586 N GLY A 38 14.772 -10.618 4.045 1.00 20.32 N ATOM 587 CA GLY A 38 15.158 -11.654 3.104 1.00 11.02 C ATOM 588 C GLY A 38 14.442 -11.525 1.774 1.00 44.13 C ATOM 589 O GLY A 38 14.492 -10.476 1.132 1.00 2.10 O ATOM 0 H GLY A 38 15.030 -9.670 3.769 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.235 -11.608 2.940 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.943 -12.631 3.536 1.00 11.02 H new ATOM 593 N VAL A 39 13.774 -12.596 1.358 1.00 25.01 N ATOM 594 CA VAL A 39 13.045 -12.599 0.095 1.00 53.13 C ATOM 595 C VAL A 39 11.724 -13.351 0.225 1.00 4.40 C ATOM 596 O VAL A 39 11.654 -14.393 0.873 1.00 12.03 O ATOM 597 CB VAL A 39 13.876 -13.238 -1.033 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.887 -14.753 -0.897 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.340 -12.819 -2.393 1.00 44.20 C ATOM 0 H VAL A 39 13.722 -13.473 1.877 1.00 25.01 H new ATOM 0 HA VAL A 39 12.845 -11.557 -0.157 1.00 53.13 H new ATOM 0 HB VAL A 39 14.903 -12.883 -0.949 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.479 -15.186 -1.703 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.324 -15.029 0.063 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.866 -15.131 -0.953 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.939 -13.280 -3.178 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.304 -13.142 -2.491 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.392 -11.734 -2.486 1.00 44.20 H new ATOM 609 N GLU A 40 10.679 -12.813 -0.398 1.00 32.42 N ATOM 610 CA GLU A 40 9.360 -13.433 -0.351 1.00 60.10 C ATOM 611 C GLU A 40 9.087 -14.226 -1.626 1.00 42.53 C ATOM 612 O GLU A 40 9.124 -13.679 -2.728 1.00 20.13 O ATOM 613 CB GLU A 40 8.278 -12.369 -0.157 1.00 24.13 C ATOM 614 CG GLU A 40 8.620 -11.340 0.908 1.00 11.04 C ATOM 615 CD GLU A 40 7.399 -10.853 1.662 1.00 24.31 C ATOM 616 OE1 GLU A 40 6.597 -11.702 2.104 1.00 60.43 O ATOM 617 OE2 GLU A 40 7.244 -9.622 1.810 1.00 55.13 O1- ATOM 0 H GLU A 40 10.721 -11.950 -0.940 1.00 32.42 H new ATOM 0 HA GLU A 40 9.339 -14.120 0.495 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.110 -11.857 -1.104 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.342 -12.859 0.111 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.328 -11.774 1.613 1.00 11.04 H new ATOM 0 HG3 GLU A 40 9.116 -10.490 0.440 1.00 11.04 H new ATOM 624 N GLN A 41 8.812 -15.517 -1.466 1.00 42.11 N ATOM 625 CA GLN A 41 8.535 -16.385 -2.603 1.00 75.52 C ATOM 626 C GLN A 41 7.057 -16.333 -2.978 1.00 53.35 C ATOM 627 O GLN A 41 6.199 -16.092 -2.129 1.00 61.42 O ATOM 628 CB GLN A 41 8.942 -17.824 -2.285 1.00 53.24 C ATOM 629 CG GLN A 41 10.428 -17.989 -2.008 1.00 24.20 C ATOM 630 CD GLN A 41 11.200 -18.461 -3.224 1.00 1.24 C ATOM 631 OE1 GLN A 41 10.616 -18.944 -4.195 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.520 -18.326 -3.177 1.00 4.21 N ATOM 0 H GLN A 41 8.775 -15.984 -0.560 1.00 42.11 H new ATOM 0 HA GLN A 41 9.120 -16.029 -3.451 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.379 -18.169 -1.418 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.663 -18.465 -3.122 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.838 -17.038 -1.669 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.565 -18.703 -1.196 1.00 24.20 H new ATOM 0 HE21 GLN A 41 12.962 -17.920 -2.352 1.00 4.21 H new ATOM 0 HE22 GLN A 41 13.092 -18.628 -3.966 1.00 4.21 H new ATOM 641 N TRP A 42 6.768 -16.560 -4.255 1.00 43.02 N ATOM 642 CA TRP A 42 5.393 -16.540 -4.742 1.00 5.44 C ATOM 643 C TRP A 42 5.234 -17.440 -5.962 1.00 60.44 C ATOM 644 O TRP A 42 6.135 -17.533 -6.797 1.00 11.52 O ATOM 645 CB TRP A 42 4.975 -15.110 -5.090 1.00 34.30 C ATOM 646 CG TRP A 42 4.975 -14.188 -3.908 1.00 73.05 C ATOM 647 CD1 TRP A 42 6.024 -13.446 -3.447 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.872 -13.911 -3.038 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.641 -12.725 -2.341 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.325 -12.992 -2.071 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.546 -14.348 -2.981 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.498 -12.505 -1.061 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.727 -13.865 -1.978 1.00 35.41 C ATOM 654 CH2 TRP A 42 2.205 -12.951 -1.030 1.00 22.13 C ATOM 0 H TRP A 42 7.467 -16.760 -4.971 1.00 43.02 H new ATOM 0 HA TRP A 42 4.747 -16.918 -3.949 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.650 -14.716 -5.849 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.977 -15.127 -5.529 1.00 34.30 H new ATOM 0 HD1 TRP A 42 7.010 -13.428 -3.887 1.00 55.51 H new ATOM 0 HE1 TRP A 42 6.239 -12.094 -1.808 1.00 41.21 H new ATOM 0 HE3 TRP A 42 2.168 -15.051 -3.708 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.864 -11.801 -0.329 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.701 -14.198 -1.924 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.539 -12.591 -0.259 1.00 22.13 H new ATOM 665 N ILE A 43 4.085 -18.100 -6.061 1.00 22.22 N ATOM 666 CA ILE A 43 3.809 -18.991 -7.181 1.00 14.53 C ATOM 667 C ILE A 43 2.668 -18.457 -8.039 1.00 73.12 C ATOM 668 O ILE A 43 1.562 -18.228 -7.549 1.00 34.33 O ATOM 669 CB ILE A 43 3.454 -20.409 -6.697 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.554 -20.949 -5.781 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.243 -21.336 -7.885 1.00 31.11 C ATOM 672 CD1 ILE A 43 4.134 -21.056 -4.331 1.00 2.14 C ATOM 0 H ILE A 43 3.330 -18.034 -5.379 1.00 22.22 H new ATOM 0 HA ILE A 43 4.719 -19.038 -7.780 1.00 14.53 H new ATOM 0 HB ILE A 43 2.525 -20.362 -6.128 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.861 -21.933 -6.136 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.426 -20.299 -5.851 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.993 -22.335 -7.527 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.428 -20.957 -8.502 1.00 31.11 H new ATOM 0 HG23 ILE A 43 4.157 -21.381 -8.478 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.963 -21.446 -3.740 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.855 -20.070 -3.959 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.281 -21.730 -4.248 1.00 2.14 H new ATOM 684 N VAL A 44 2.942 -18.262 -9.325 1.00 32.54 N ATOM 685 CA VAL A 44 1.938 -17.759 -10.254 1.00 1.41 C ATOM 686 C VAL A 44 1.824 -18.657 -11.480 1.00 62.00 C ATOM 687 O VAL A 44 2.671 -18.616 -12.374 1.00 64.24 O ATOM 688 CB VAL A 44 2.264 -16.325 -10.710 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.502 -15.311 -9.871 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.762 -16.070 -10.638 1.00 14.24 C ATOM 0 H VAL A 44 3.852 -18.445 -9.747 1.00 32.54 H new ATOM 0 HA VAL A 44 0.987 -17.756 -9.721 1.00 1.41 H new ATOM 0 HB VAL A 44 1.949 -16.213 -11.747 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.745 -14.303 -10.208 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.431 -15.481 -9.979 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.783 -15.421 -8.824 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.974 -15.052 -10.964 1.00 14.24 H new ATOM 0 HG22 VAL A 44 4.104 -16.201 -9.612 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.283 -16.774 -11.287 1.00 14.24 H new ATOM 700 N ASP A 45 0.772 -19.467 -11.518 1.00 45.32 N ATOM 701 CA ASP A 45 0.546 -20.375 -12.637 1.00 21.31 C ATOM 702 C ASP A 45 -0.079 -19.639 -13.817 1.00 43.53 C ATOM 703 O ASP A 45 -0.740 -18.614 -13.643 1.00 12.42 O ATOM 704 CB ASP A 45 -0.356 -21.533 -12.207 1.00 64.12 C ATOM 705 CG ASP A 45 -1.392 -21.881 -13.257 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.211 -22.901 -13.955 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.385 -21.134 -13.380 1.00 51.12 O1- ATOM 0 H ASP A 45 0.062 -19.514 -10.787 1.00 45.32 H new ATOM 0 HA ASP A 45 1.511 -20.773 -12.950 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.257 -22.410 -12.001 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.860 -21.271 -11.277 1.00 64.12 H new ATOM 712 N LEU A 46 0.135 -20.166 -15.017 1.00 52.01 N ATOM 713 CA LEU A 46 -0.407 -19.559 -16.228 1.00 33.22 C ATOM 714 C LEU A 46 -1.468 -20.454 -16.859 1.00 13.22 C ATOM 715 O LEU A 46 -2.191 -20.036 -17.763 1.00 72.41 O ATOM 716 CB LEU A 46 0.715 -19.289 -17.233 1.00 61.21 C ATOM 717 CG LEU A 46 1.838 -20.326 -17.278 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.431 -20.409 -18.677 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.916 -19.990 -16.258 1.00 32.43 C ATOM 0 H LEU A 46 0.680 -21.013 -15.178 1.00 52.01 H new ATOM 0 HA LEU A 46 -0.875 -18.614 -15.953 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.275 -19.215 -18.228 1.00 61.21 H new ATOM 0 HB3 LEU A 46 1.153 -18.317 -17.006 1.00 61.21 H new ATOM 0 HG LEU A 46 1.419 -21.300 -17.025 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.229 -21.152 -18.691 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.654 -20.698 -19.385 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.836 -19.437 -18.959 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.707 -20.739 -16.304 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.333 -19.008 -16.480 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.481 -19.983 -15.258 1.00 32.43 H new ATOM 731 N LYS A 47 -1.557 -21.688 -16.375 1.00 32.14 N ATOM 732 CA LYS A 47 -2.531 -22.643 -16.889 1.00 73.41 C ATOM 733 C LYS A 47 -3.949 -22.236 -16.500 1.00 25.15 C ATOM 734 O LYS A 47 -4.838 -22.163 -17.348 1.00 30.54 O ATOM 735 CB LYS A 47 -2.229 -24.046 -16.358 1.00 12.14 C ATOM 736 CG LYS A 47 -0.757 -24.417 -16.422 1.00 71.22 C ATOM 737 CD LYS A 47 -0.550 -25.774 -17.073 1.00 44.04 C ATOM 738 CE LYS A 47 -0.412 -26.876 -16.034 1.00 52.41 C ATOM 739 NZ LYS A 47 0.121 -28.133 -16.626 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.966 -22.050 -15.627 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.458 -22.649 -17.977 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.568 -24.115 -15.324 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.804 -24.774 -16.931 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.214 -23.657 -16.983 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.340 -24.428 -15.415 1.00 71.22 H new ATOM 0 HD2 LYS A 47 -1.391 -25.995 -17.730 1.00 44.04 H new ATOM 0 HD3 LYS A 47 0.343 -25.747 -17.697 1.00 44.04 H new ATOM 0 HE2 LYS A 47 0.250 -26.541 -15.236 1.00 52.41 H new ATOM 0 HE3 LYS A 47 -1.384 -27.072 -15.581 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 0.200 -28.859 -15.886 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 -0.524 -28.467 -17.371 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 1.060 -27.953 -17.036 1.00 64.34 H new ATOM 753 N GLN A 48 -4.152 -21.972 -15.213 1.00 45.21 N ATOM 754 CA GLN A 48 -5.462 -21.572 -14.713 1.00 10.22 C ATOM 755 C GLN A 48 -5.448 -20.118 -14.251 1.00 4.23 C ATOM 756 O GLN A 48 -6.467 -19.585 -13.812 1.00 2.01 O ATOM 757 CB GLN A 48 -5.892 -22.481 -13.562 1.00 63.24 C ATOM 758 CG GLN A 48 -5.994 -23.948 -13.950 1.00 72.31 C ATOM 759 CD GLN A 48 -6.559 -24.809 -12.837 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.491 -25.584 -13.049 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.995 -24.676 -11.642 1.00 43.10 N ATOM 0 H GLN A 48 -3.426 -22.028 -14.498 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.179 -21.668 -15.529 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.179 -22.379 -12.744 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.859 -22.145 -13.186 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.625 -24.043 -14.834 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -5.005 -24.317 -14.223 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -5.224 -24.021 -11.512 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.333 -25.229 -10.854 1.00 43.10 H new ATOM 770 N LEU A 49 -4.286 -19.483 -14.352 1.00 40.44 N ATOM 771 CA LEU A 49 -4.138 -18.089 -13.944 1.00 12.54 C ATOM 772 C LEU A 49 -4.481 -17.915 -12.467 1.00 71.02 C ATOM 773 O LEU A 49 -5.582 -17.489 -12.120 1.00 2.15 O ATOM 774 CB LEU A 49 -5.033 -17.190 -14.796 1.00 75.10 C ATOM 775 CG LEU A 49 -4.506 -16.845 -16.190 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.145 -16.174 -16.096 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.427 -18.096 -17.055 1.00 22.10 C ATOM 0 H LEU A 49 -3.433 -19.910 -14.712 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.097 -17.801 -14.093 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.003 -17.676 -14.906 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.202 -16.260 -14.253 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.201 -16.147 -16.657 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -2.787 -15.936 -17.098 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.231 -15.256 -15.514 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.440 -16.848 -15.609 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.050 -17.832 -18.043 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.754 -18.817 -16.591 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.420 -18.535 -17.151 1.00 22.10 H new ATOM 789 N LYS A 50 -3.529 -18.247 -11.601 1.00 54.03 N ATOM 790 CA LYS A 50 -3.728 -18.124 -10.162 1.00 73.12 C ATOM 791 C LYS A 50 -2.461 -17.618 -9.479 1.00 13.13 C ATOM 792 O LYS A 50 -1.450 -17.364 -10.134 1.00 33.05 O ATOM 793 CB LYS A 50 -4.136 -19.473 -9.566 1.00 23.41 C ATOM 794 CG LYS A 50 -3.091 -20.561 -9.748 1.00 12.24 C ATOM 795 CD LYS A 50 -2.262 -20.753 -8.490 1.00 71.24 C ATOM 796 CE LYS A 50 -2.544 -22.098 -7.837 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.278 -23.232 -8.765 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.612 -18.603 -11.871 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.526 -17.401 -9.991 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.334 -19.345 -8.502 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.069 -19.797 -10.027 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.582 -21.499 -10.008 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.436 -20.303 -10.580 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.203 -20.682 -8.737 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.479 -19.952 -7.784 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.926 -22.206 -6.946 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.583 -22.132 -7.510 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -1.950 -24.056 -8.221 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -3.152 -23.477 -9.273 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.546 -22.956 -9.450 1.00 41.23 H new ATOM 811 N VAL A 51 -2.523 -17.475 -8.159 1.00 11.01 N ATOM 812 CA VAL A 51 -1.380 -17.001 -7.388 1.00 51.13 C ATOM 813 C VAL A 51 -1.345 -17.644 -6.005 1.00 24.24 C ATOM 814 O VAL A 51 -2.387 -17.938 -5.420 1.00 11.33 O ATOM 815 CB VAL A 51 -1.407 -15.469 -7.227 1.00 74.54 C ATOM 816 CG1 VAL A 51 -0.113 -14.974 -6.599 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.647 -14.798 -8.571 1.00 51.31 C ATOM 0 H VAL A 51 -3.352 -17.680 -7.602 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.485 -17.286 -7.942 1.00 51.13 H new ATOM 0 HB VAL A 51 -2.229 -15.205 -6.562 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -0.151 -13.890 -6.494 1.00 60.22 H new ATOM 0 HG12 VAL A 51 0.012 -15.430 -5.617 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.728 -15.247 -7.236 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.663 -13.716 -8.440 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -0.847 -15.068 -9.260 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.603 -15.129 -8.977 1.00 51.31 H new ATOM 827 N ASP A 52 -0.140 -17.860 -5.490 1.00 34.02 N ATOM 828 CA ASP A 52 0.031 -18.468 -4.176 1.00 10.05 C ATOM 829 C ASP A 52 1.330 -18.000 -3.526 1.00 41.12 C ATOM 830 O ASP A 52 2.192 -17.424 -4.188 1.00 32.23 O ATOM 831 CB ASP A 52 0.023 -19.992 -4.290 1.00 62.44 C ATOM 832 CG ASP A 52 -0.770 -20.480 -5.487 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.147 -20.806 -6.519 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.014 -20.535 -5.390 1.00 41.01 O1- ATOM 0 H ASP A 52 0.733 -17.623 -5.962 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.802 -18.155 -3.547 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.049 -20.353 -4.366 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.399 -20.419 -3.380 1.00 62.44 H new ATOM 839 N GLN A 53 1.461 -18.253 -2.227 1.00 45.12 N ATOM 840 CA GLN A 53 2.654 -17.856 -1.489 1.00 63.05 C ATOM 841 C GLN A 53 3.674 -18.990 -1.453 1.00 31.52 C ATOM 842 O GLN A 53 3.337 -20.149 -1.694 1.00 43.42 O ATOM 843 CB GLN A 53 2.283 -17.443 -0.064 1.00 21.35 C ATOM 844 CG GLN A 53 2.087 -18.618 0.879 1.00 51.34 C ATOM 845 CD GLN A 53 0.837 -19.417 0.564 1.00 13.11 C ATOM 846 OE1 GLN A 53 -0.220 -19.197 1.154 1.00 31.44 O ATOM 847 NE2 GLN A 53 0.953 -20.352 -0.373 1.00 1.42 N ATOM 0 H GLN A 53 0.756 -18.731 -1.665 1.00 45.12 H new ATOM 0 HA GLN A 53 3.102 -17.005 -2.002 1.00 63.05 H new ATOM 0 HB2 GLN A 53 3.065 -16.796 0.333 1.00 21.35 H new ATOM 0 HB3 GLN A 53 1.366 -16.854 -0.093 1.00 21.35 H new ATOM 0 HG2 GLN A 53 2.956 -19.273 0.823 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.030 -18.251 1.904 1.00 51.34 H new ATOM 0 HE21 GLN A 53 1.849 -20.501 -0.837 1.00 1.42 H new ATOM 0 HE22 GLN A 53 0.146 -20.921 -0.628 1.00 1.42 H new ATOM 856 N GLY A 54 4.922 -18.647 -1.151 1.00 60.23 N ATOM 857 CA GLY A 54 5.972 -19.647 -1.089 1.00 32.11 C ATOM 858 C GLY A 54 6.556 -19.959 -2.453 1.00 61.12 C ATOM 859 O GLY A 54 6.486 -19.140 -3.369 1.00 34.53 O ATOM 0 H GLY A 54 5.225 -17.694 -0.948 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.765 -19.296 -0.429 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.573 -20.562 -0.650 1.00 32.11 H new ATOM 863 N VAL A 55 7.135 -21.148 -2.589 1.00 63.32 N ATOM 864 CA VAL A 55 7.734 -21.567 -3.851 1.00 0.23 C ATOM 865 C VAL A 55 7.106 -22.862 -4.354 1.00 31.05 C ATOM 866 O VAL A 55 6.748 -23.738 -3.567 1.00 13.53 O ATOM 867 CB VAL A 55 9.254 -21.768 -3.710 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.558 -22.866 -2.702 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.876 -22.087 -5.062 1.00 61.54 C ATOM 0 H VAL A 55 7.202 -21.838 -1.841 1.00 63.32 H new ATOM 0 HA VAL A 55 7.545 -20.771 -4.571 1.00 0.23 H new ATOM 0 HB VAL A 55 9.693 -20.840 -3.343 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.637 -22.993 -2.617 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.147 -22.592 -1.730 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.108 -23.801 -3.036 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.951 -22.226 -4.944 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.433 -23.000 -5.460 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.690 -21.263 -5.751 1.00 61.54 H new ATOM 879 N PHE A 56 6.974 -22.975 -5.672 1.00 21.01 N ATOM 880 CA PHE A 56 6.388 -24.164 -6.282 1.00 21.13 C ATOM 881 C PHE A 56 7.380 -25.324 -6.274 1.00 72.32 C ATOM 882 O PHE A 56 8.592 -25.118 -6.280 1.00 54.15 O ATOM 883 CB PHE A 56 5.949 -23.862 -7.716 1.00 15.22 C ATOM 884 CG PHE A 56 5.064 -24.922 -8.307 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.387 -25.519 -9.515 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.908 -25.322 -7.655 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.574 -26.495 -10.061 1.00 22.55 C ATOM 888 CE2 PHE A 56 3.092 -26.297 -8.195 1.00 40.34 C ATOM 889 CZ PHE A 56 3.426 -26.884 -9.400 1.00 32.22 C ATOM 0 H PHE A 56 7.264 -22.259 -6.338 1.00 21.01 H new ATOM 0 HA PHE A 56 5.516 -24.452 -5.695 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.421 -22.908 -7.733 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.834 -23.748 -8.342 1.00 15.22 H new ATOM 0 HD1 PHE A 56 6.284 -25.219 -10.036 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.642 -24.866 -6.713 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.837 -26.953 -11.003 1.00 22.55 H new ATOM 0 HE2 PHE A 56 2.195 -26.600 -7.676 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.790 -27.646 -9.825 1.00 32.22 H new ATOM 899 N ALA A 57 6.852 -26.544 -6.261 1.00 32.10 N ATOM 900 CA ALA A 57 7.690 -27.737 -6.255 1.00 4.40 C ATOM 901 C ALA A 57 8.699 -27.706 -7.397 1.00 45.14 C ATOM 902 O ALA A 57 9.780 -28.287 -7.300 1.00 5.11 O ATOM 903 CB ALA A 57 6.827 -28.987 -6.343 1.00 15.14 C ATOM 0 H ALA A 57 5.849 -26.732 -6.254 1.00 32.10 H new ATOM 0 HA ALA A 57 8.245 -27.757 -5.317 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.465 -29.871 -6.338 1.00 15.14 H new ATOM 0 HB2 ALA A 57 6.150 -29.023 -5.489 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.247 -28.964 -7.265 1.00 15.14 H new ATOM 909 N SER A 58 8.339 -27.025 -8.480 1.00 54.32 N ATOM 910 CA SER A 58 9.211 -26.922 -9.644 1.00 12.25 C ATOM 911 C SER A 58 8.575 -26.054 -10.725 1.00 23.03 C ATOM 912 O SER A 58 7.954 -26.546 -11.668 1.00 74.33 O ATOM 913 CB SER A 58 9.515 -28.313 -10.205 1.00 24.15 C ATOM 914 OG SER A 58 10.081 -28.228 -11.501 1.00 63.33 O ATOM 0 H SER A 58 7.449 -26.536 -8.576 1.00 54.32 H new ATOM 0 HA SER A 58 10.143 -26.453 -9.328 1.00 12.25 H new ATOM 0 HB2 SER A 58 10.202 -28.835 -9.539 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.598 -28.901 -10.243 1.00 24.15 H new ATOM 0 HG SER A 58 10.267 -29.130 -11.836 1.00 63.33 H new ATOM 920 N PRO A 59 8.732 -24.729 -10.587 1.00 64.12 N ATOM 921 CA PRO A 59 8.181 -23.763 -11.543 1.00 73.32 C ATOM 922 C PRO A 59 8.896 -23.806 -12.889 1.00 23.22 C ATOM 923 O PRO A 59 10.108 -24.017 -12.952 1.00 4.44 O ATOM 924 CB PRO A 59 8.414 -22.414 -10.857 1.00 61.42 C ATOM 925 CG PRO A 59 9.573 -22.645 -9.950 1.00 4.13 C ATOM 926 CD PRO A 59 9.461 -24.072 -9.489 1.00 10.03 C ATOM 0 HA PRO A 59 7.135 -23.967 -11.771 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.631 -21.632 -11.585 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.533 -22.096 -10.300 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.516 -22.476 -10.471 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.549 -21.959 -9.104 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.441 -24.522 -9.332 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.920 -24.148 -8.546 1.00 10.03 H new ATOM 934 N ASP A 60 8.140 -23.606 -13.962 1.00 20.31 N ATOM 935 CA ASP A 60 8.702 -23.620 -15.308 1.00 71.05 C ATOM 936 C ASP A 60 9.735 -22.512 -15.476 1.00 72.31 C ATOM 937 O ASP A 60 10.630 -22.605 -16.318 1.00 5.43 O ATOM 938 CB ASP A 60 7.592 -23.463 -16.348 1.00 60.31 C ATOM 939 CG ASP A 60 8.020 -23.928 -17.726 1.00 74.41 C ATOM 940 OD1 ASP A 60 7.149 -24.030 -18.615 1.00 62.40 O ATOM 941 OD2 ASP A 60 9.227 -24.190 -17.915 1.00 72.43 O1- ATOM 0 H ASP A 60 7.136 -23.432 -13.927 1.00 20.31 H new ATOM 0 HA ASP A 60 9.197 -24.579 -15.459 1.00 71.05 H new ATOM 0 HB2 ASP A 60 6.718 -24.032 -16.031 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.290 -22.417 -16.398 1.00 60.31 H new ATOM 946 N VAL A 61 9.606 -21.462 -14.672 1.00 23.13 N ATOM 947 CA VAL A 61 10.530 -20.334 -14.732 1.00 4.42 C ATOM 948 C VAL A 61 10.659 -19.656 -13.373 1.00 2.01 C ATOM 949 O VAL A 61 9.713 -19.634 -12.585 1.00 3.25 O ATOM 950 CB VAL A 61 10.076 -19.292 -15.772 1.00 33.32 C ATOM 951 CG1 VAL A 61 11.028 -18.107 -15.790 1.00 0.55 C ATOM 952 CG2 VAL A 61 9.974 -19.926 -17.151 1.00 33.43 C ATOM 0 H VAL A 61 8.871 -21.368 -13.971 1.00 23.13 H new ATOM 0 HA VAL A 61 11.500 -20.734 -15.028 1.00 4.42 H new ATOM 0 HB VAL A 61 9.088 -18.929 -15.490 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.692 -17.381 -16.530 1.00 0.55 H new ATOM 0 HG12 VAL A 61 11.046 -17.639 -14.806 1.00 0.55 H new ATOM 0 HG13 VAL A 61 12.030 -18.449 -16.047 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.652 -19.176 -17.873 1.00 33.43 H new ATOM 0 HG22 VAL A 61 10.948 -20.318 -17.444 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.249 -20.739 -17.125 1.00 33.43 H new ATOM 962 N THR A 62 11.838 -19.103 -13.103 1.00 50.24 N ATOM 963 CA THR A 62 12.092 -18.425 -11.839 1.00 14.23 C ATOM 964 C THR A 62 12.430 -16.956 -12.062 1.00 31.34 C ATOM 965 O THR A 62 13.490 -16.625 -12.592 1.00 52.43 O ATOM 966 CB THR A 62 13.244 -19.094 -11.064 1.00 64.24 C ATOM 967 OG1 THR A 62 13.800 -20.161 -11.839 1.00 4.13 O ATOM 968 CG2 THR A 62 12.758 -19.630 -9.727 1.00 53.40 C ATOM 0 H THR A 62 12.632 -19.112 -13.744 1.00 50.24 H new ATOM 0 HA THR A 62 11.177 -18.499 -11.251 1.00 14.23 H new ATOM 0 HB THR A 62 14.012 -18.343 -10.878 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.419 -20.680 -11.284 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.589 -20.097 -9.199 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.363 -18.810 -9.128 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.973 -20.368 -9.894 1.00 53.40 H new ATOM 976 N VAL A 63 11.521 -16.076 -11.653 1.00 71.42 N ATOM 977 CA VAL A 63 11.723 -14.640 -11.806 1.00 52.44 C ATOM 978 C VAL A 63 12.315 -14.030 -10.540 1.00 12.25 C ATOM 979 O VAL A 63 11.860 -14.311 -9.430 1.00 15.12 O ATOM 980 CB VAL A 63 10.404 -13.920 -12.141 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.644 -12.431 -12.340 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.761 -14.534 -13.376 1.00 54.53 C ATOM 0 H VAL A 63 10.637 -16.333 -11.213 1.00 71.42 H new ATOM 0 HA VAL A 63 12.422 -14.505 -12.632 1.00 52.44 H new ATOM 0 HB VAL A 63 9.719 -14.045 -11.302 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.701 -11.939 -12.576 1.00 23.22 H new ATOM 0 HG12 VAL A 63 11.058 -12.004 -11.426 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.346 -12.282 -13.160 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.830 -14.013 -13.598 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.440 -14.442 -14.224 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.552 -15.588 -13.192 1.00 54.53 H new ATOM 992 N THR A 64 13.333 -13.193 -10.713 1.00 21.22 N ATOM 993 CA THR A 64 13.988 -12.543 -9.585 1.00 44.01 C ATOM 994 C THR A 64 13.937 -11.025 -9.719 1.00 25.10 C ATOM 995 O THR A 64 14.623 -10.443 -10.560 1.00 72.04 O ATOM 996 CB THR A 64 15.457 -12.986 -9.457 1.00 34.33 C ATOM 997 OG1 THR A 64 15.725 -14.064 -10.361 1.00 1.35 O ATOM 998 CG2 THR A 64 15.769 -13.423 -8.034 1.00 73.53 C ATOM 0 H THR A 64 13.722 -12.949 -11.624 1.00 21.22 H new ATOM 0 HA THR A 64 13.446 -12.844 -8.689 1.00 44.01 H new ATOM 0 HB THR A 64 16.092 -12.136 -9.707 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.527 -14.544 -10.068 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.812 -13.731 -7.969 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.593 -12.592 -7.351 1.00 73.53 H new ATOM 0 HG23 THR A 64 15.126 -14.259 -7.761 1.00 73.53 H new ATOM 1006 N VAL A 65 13.121 -10.389 -8.885 1.00 24.10 N ATOM 1007 CA VAL A 65 12.982 -8.938 -8.910 1.00 44.40 C ATOM 1008 C VAL A 65 12.915 -8.369 -7.498 1.00 72.43 C ATOM 1009 O VAL A 65 12.216 -8.899 -6.635 1.00 51.43 O ATOM 1010 CB VAL A 65 11.723 -8.508 -9.686 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.466 -8.949 -8.953 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.721 -7.002 -9.905 1.00 61.51 C ATOM 0 H VAL A 65 12.546 -10.856 -8.184 1.00 24.10 H new ATOM 0 HA VAL A 65 13.863 -8.544 -9.416 1.00 44.40 H new ATOM 0 HB VAL A 65 11.735 -8.995 -10.661 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.587 -8.636 -9.517 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.465 -10.034 -8.853 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.443 -8.493 -7.963 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.824 -6.715 -10.455 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.733 -6.494 -8.941 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.604 -6.716 -10.477 1.00 61.51 H new ATOM 1022 N GLY A 66 13.646 -7.281 -7.268 1.00 71.14 N ATOM 1023 CA GLY A 66 13.654 -6.657 -5.957 1.00 41.23 C ATOM 1024 C GLY A 66 12.397 -5.853 -5.690 1.00 23.54 C ATOM 1025 O GLY A 66 11.617 -5.584 -6.605 1.00 73.14 O ATOM 0 H GLY A 66 14.232 -6.822 -7.965 1.00 71.14 H new ATOM 0 HA2 GLY A 66 13.759 -7.427 -5.192 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.523 -6.005 -5.874 1.00 41.23 H new ATOM 1029 N LEU A 67 12.198 -5.470 -4.434 1.00 13.24 N ATOM 1030 CA LEU A 67 11.026 -4.693 -4.048 1.00 45.22 C ATOM 1031 C LEU A 67 10.908 -3.427 -4.893 1.00 21.23 C ATOM 1032 O LEU A 67 9.930 -3.241 -5.616 1.00 45.23 O ATOM 1033 CB LEU A 67 11.098 -4.325 -2.565 1.00 52.23 C ATOM 1034 CG LEU A 67 9.758 -4.153 -1.849 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.091 -5.503 -1.634 1.00 15.22 C ATOM 1036 CD2 LEU A 67 9.951 -3.433 -0.523 1.00 21.12 C ATOM 0 H LEU A 67 12.833 -5.685 -3.665 1.00 13.24 H new ATOM 0 HA LEU A 67 10.142 -5.307 -4.221 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.667 -5.097 -2.047 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.660 -3.396 -2.469 1.00 52.23 H new ATOM 0 HG LEU A 67 9.107 -3.546 -2.477 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.139 -5.361 -1.123 1.00 15.22 H new ATOM 0 HD12 LEU A 67 8.918 -5.981 -2.598 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.738 -6.136 -1.026 1.00 15.22 H new ATOM 0 HD21 LEU A 67 8.987 -3.319 -0.027 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.620 -4.014 0.112 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.385 -2.449 -0.703 1.00 21.12 H new ATOM 1048 N GLU A 68 11.913 -2.562 -4.795 1.00 23.10 N ATOM 1049 CA GLU A 68 11.921 -1.315 -5.551 1.00 24.34 C ATOM 1050 C GLU A 68 11.608 -1.569 -7.023 1.00 61.31 C ATOM 1051 O GLU A 68 10.702 -0.959 -7.590 1.00 21.23 O ATOM 1052 CB GLU A 68 13.280 -0.623 -5.420 1.00 2.03 C ATOM 1053 CG GLU A 68 13.792 -0.554 -3.991 1.00 62.33 C ATOM 1054 CD GLU A 68 14.777 -1.661 -3.670 1.00 54.24 C ATOM 1055 OE1 GLU A 68 15.611 -1.467 -2.761 1.00 72.13 O ATOM 1056 OE2 GLU A 68 14.713 -2.722 -4.327 1.00 60.41 O1- ATOM 0 H GLU A 68 12.730 -2.701 -4.201 1.00 23.10 H new ATOM 0 HA GLU A 68 11.148 -0.665 -5.140 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.009 -1.153 -6.033 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.203 0.388 -5.819 1.00 2.03 H new ATOM 0 HG2 GLU A 68 14.270 0.412 -3.827 1.00 62.33 H new ATOM 0 HG3 GLU A 68 12.948 -0.613 -3.303 1.00 62.33 H new ATOM 1063 N ASP A 69 12.365 -2.473 -7.635 1.00 20.45 N ATOM 1064 CA ASP A 69 12.169 -2.809 -9.041 1.00 42.22 C ATOM 1065 C ASP A 69 10.705 -3.136 -9.322 1.00 43.43 C ATOM 1066 O ASP A 69 10.107 -2.597 -10.253 1.00 14.14 O ATOM 1067 CB ASP A 69 13.053 -3.994 -9.433 1.00 71.20 C ATOM 1068 CG ASP A 69 14.530 -3.665 -9.357 1.00 61.35 C ATOM 1069 OD1 ASP A 69 14.876 -2.467 -9.431 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.341 -4.604 -9.221 1.00 23.21 O1- ATOM 0 H ASP A 69 13.120 -2.986 -7.180 1.00 20.45 H new ATOM 0 HA ASP A 69 12.451 -1.942 -9.639 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.837 -4.837 -8.777 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.806 -4.308 -10.447 1.00 71.20 H new ATOM 1075 N MET A 70 10.135 -4.021 -8.512 1.00 54.02 N ATOM 1076 CA MET A 70 8.742 -4.420 -8.674 1.00 40.11 C ATOM 1077 C MET A 70 7.812 -3.224 -8.497 1.00 33.44 C ATOM 1078 O MET A 70 7.045 -2.882 -9.399 1.00 2.01 O ATOM 1079 CB MET A 70 8.382 -5.515 -7.669 1.00 64.44 C ATOM 1080 CG MET A 70 8.142 -6.873 -8.310 1.00 53.12 C ATOM 1081 SD MET A 70 6.402 -7.171 -8.675 1.00 44.35 S ATOM 1082 CE MET A 70 6.525 -8.554 -9.807 1.00 74.02 C ATOM 0 H MET A 70 10.616 -4.476 -7.736 1.00 54.02 H new ATOM 0 HA MET A 70 8.616 -4.810 -9.684 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.186 -5.604 -6.938 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.487 -5.216 -7.124 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.720 -6.942 -9.232 1.00 53.12 H new ATOM 0 HG3 MET A 70 8.509 -7.654 -7.644 1.00 53.12 H new ATOM 0 HE1 MET A 70 6.023 -8.305 -10.742 1.00 74.02 H new ATOM 0 HE2 MET A 70 7.575 -8.769 -10.006 1.00 74.02 H new ATOM 0 HE3 MET A 70 6.052 -9.430 -9.363 1.00 74.02 H new ATOM 1092 N LEU A 71 7.881 -2.594 -7.329 1.00 4.41 N ATOM 1093 CA LEU A 71 7.044 -1.436 -7.033 1.00 52.32 C ATOM 1094 C LEU A 71 7.113 -0.412 -8.162 1.00 50.24 C ATOM 1095 O LEU A 71 6.123 0.249 -8.474 1.00 51.41 O ATOM 1096 CB LEU A 71 7.479 -0.792 -5.717 1.00 73.33 C ATOM 1097 CG LEU A 71 7.555 -1.723 -4.506 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.611 -1.237 -3.525 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.198 -1.825 -3.826 1.00 30.51 C ATOM 0 H LEU A 71 8.508 -2.866 -6.572 1.00 4.41 H new ATOM 0 HA LEU A 71 6.013 -1.777 -6.940 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.460 -0.339 -5.864 1.00 73.33 H new ATOM 0 HB3 LEU A 71 6.786 0.017 -5.485 1.00 73.33 H new ATOM 0 HG LEU A 71 7.840 -2.716 -4.852 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.651 -1.912 -2.670 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.583 -1.217 -4.017 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.356 -0.233 -3.184 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.271 -2.491 -2.967 1.00 30.51 H new ATOM 0 HD22 LEU A 71 5.883 -0.836 -3.493 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.467 -2.221 -4.531 1.00 30.51 H new ATOM 1111 N ALA A 72 8.287 -0.289 -8.771 1.00 72.12 N ATOM 1112 CA ALA A 72 8.484 0.651 -9.867 1.00 10.33 C ATOM 1113 C ALA A 72 7.602 0.297 -11.060 1.00 3.31 C ATOM 1114 O ALA A 72 6.842 1.132 -11.551 1.00 20.22 O ATOM 1115 CB ALA A 72 9.948 0.681 -10.281 1.00 1.25 C ATOM 0 H ALA A 72 9.116 -0.829 -8.524 1.00 72.12 H new ATOM 0 HA ALA A 72 8.196 1.643 -9.518 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.080 1.387 -11.101 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.560 0.990 -9.433 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.255 -0.313 -10.606 1.00 1.25 H new ATOM 1121 N ILE A 73 7.710 -0.944 -11.520 1.00 10.35 N ATOM 1122 CA ILE A 73 6.922 -1.408 -12.656 1.00 70.44 C ATOM 1123 C ILE A 73 5.455 -1.576 -12.274 1.00 3.41 C ATOM 1124 O ILE A 73 4.576 -0.931 -12.847 1.00 51.33 O ATOM 1125 CB ILE A 73 7.454 -2.747 -13.201 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.978 -2.700 -13.330 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.814 -3.063 -14.545 1.00 52.42 C ATOM 1128 CD1 ILE A 73 9.575 -3.965 -13.904 1.00 20.44 C ATOM 0 H ILE A 73 8.335 -1.647 -11.124 1.00 10.35 H new ATOM 0 HA ILE A 73 7.010 -0.648 -13.433 1.00 70.44 H new ATOM 0 HB ILE A 73 7.191 -3.539 -12.499 1.00 2.34 H new ATOM 0 HG12 ILE A 73 9.255 -1.857 -13.963 1.00 5.34 H new ATOM 0 HG13 ILE A 73 9.412 -2.516 -12.347 1.00 5.34 H new ATOM 0 HG21 ILE A 73 7.200 -4.012 -14.918 1.00 52.42 H new ATOM 0 HG22 ILE A 73 5.733 -3.132 -14.426 1.00 52.42 H new ATOM 0 HG23 ILE A 73 7.050 -2.271 -15.256 1.00 52.42 H new ATOM 0 HD11 ILE A 73 10.658 -3.860 -13.967 1.00 20.44 H new ATOM 0 HD12 ILE A 73 9.329 -4.809 -13.259 1.00 20.44 H new ATOM 0 HD13 ILE A 73 9.169 -4.139 -14.901 1.00 20.44 H new ATOM 1140 N SER A 74 5.197 -2.445 -11.302 1.00 34.22 N ATOM 1141 CA SER A 74 3.836 -2.699 -10.845 1.00 34.44 C ATOM 1142 C SER A 74 3.152 -1.400 -10.429 1.00 12.00 C ATOM 1143 O SER A 74 1.940 -1.249 -10.576 1.00 4.54 O ATOM 1144 CB SER A 74 3.844 -3.682 -9.673 1.00 32.15 C ATOM 1145 OG SER A 74 2.772 -3.425 -8.783 1.00 43.53 O ATOM 0 H SER A 74 5.913 -2.985 -10.816 1.00 34.22 H new ATOM 0 HA SER A 74 3.277 -3.136 -11.672 1.00 34.44 H new ATOM 0 HB2 SER A 74 3.771 -4.702 -10.050 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.791 -3.607 -9.138 1.00 32.15 H new ATOM 0 HG SER A 74 2.223 -4.231 -8.691 1.00 43.53 H new ATOM 1151 N GLY A 75 3.939 -0.463 -9.908 1.00 30.23 N ATOM 1152 CA GLY A 75 3.393 0.810 -9.479 1.00 71.54 C ATOM 1153 C GLY A 75 3.044 1.714 -10.645 1.00 52.41 C ATOM 1154 O GLY A 75 2.550 2.826 -10.452 1.00 72.55 O ATOM 0 H GLY A 75 4.945 -0.564 -9.776 1.00 30.23 H new ATOM 0 HA2 GLY A 75 2.500 0.635 -8.879 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.115 1.314 -8.836 1.00 71.54 H new ATOM 1158 N LYS A 76 3.302 1.238 -11.858 1.00 72.22 N ATOM 1159 CA LYS A 76 3.013 2.011 -13.061 1.00 63.32 C ATOM 1160 C LYS A 76 3.906 3.244 -13.144 1.00 4.25 C ATOM 1161 O LYS A 76 3.682 4.133 -13.965 1.00 51.51 O ATOM 1162 CB LYS A 76 1.542 2.432 -13.080 1.00 43.21 C ATOM 1163 CG LYS A 76 0.609 1.415 -12.445 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.785 1.486 -13.044 1.00 41.34 C ATOM 1165 CE LYS A 76 -1.591 2.631 -12.449 1.00 40.22 C ATOM 1166 NZ LYS A 76 -2.170 2.270 -11.125 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.711 0.320 -12.035 1.00 72.22 H new ATOM 0 HA LYS A 76 3.216 1.379 -13.926 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.438 3.383 -12.558 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.234 2.600 -14.112 1.00 43.21 H new ATOM 0 HG2 LYS A 76 1.014 0.413 -12.583 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.554 1.592 -11.371 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.712 1.614 -14.124 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -1.305 0.544 -12.869 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -0.952 3.507 -12.340 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -2.393 2.905 -13.134 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -2.712 3.075 -10.752 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -2.800 1.449 -11.234 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -1.403 2.033 -10.464 1.00 53.25 H new ATOM 1180 N THR A 77 4.922 3.292 -12.287 1.00 13.43 N ATOM 1181 CA THR A 77 5.850 4.416 -12.264 1.00 43.43 C ATOM 1182 C THR A 77 6.945 4.247 -13.312 1.00 63.21 C ATOM 1183 O THR A 77 7.336 5.208 -13.976 1.00 21.54 O ATOM 1184 CB THR A 77 6.504 4.576 -10.878 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.408 3.492 -10.634 1.00 24.34 O ATOM 1186 CG2 THR A 77 5.448 4.619 -9.784 1.00 61.23 C ATOM 0 H THR A 77 5.123 2.565 -11.600 1.00 13.43 H new ATOM 0 HA THR A 77 5.269 5.310 -12.490 1.00 43.43 H new ATOM 0 HB THR A 77 7.055 5.516 -10.867 1.00 71.41 H new ATOM 0 HG1 THR A 77 6.974 2.645 -10.867 1.00 24.34 H new ATOM 0 HG21 THR A 77 5.933 4.732 -8.814 1.00 61.23 H new ATOM 0 HG22 THR A 77 4.780 5.463 -9.956 1.00 61.23 H new ATOM 0 HG23 THR A 77 4.874 3.693 -9.796 1.00 61.23 H new ATOM 1194 N LEU A 78 7.435 3.021 -13.457 1.00 61.23 N ATOM 1195 CA LEU A 78 8.484 2.726 -14.427 1.00 64.41 C ATOM 1196 C LEU A 78 8.039 1.634 -15.396 1.00 4.21 C ATOM 1197 O LEU A 78 7.028 0.968 -15.176 1.00 64.35 O ATOM 1198 CB LEU A 78 9.763 2.294 -13.708 1.00 40.00 C ATOM 1199 CG LEU A 78 11.076 2.612 -14.425 1.00 14.14 C ATOM 1200 CD1 LEU A 78 12.081 3.216 -13.456 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.645 1.359 -15.075 1.00 52.03 C ATOM 0 H LEU A 78 7.123 2.215 -12.915 1.00 61.23 H new ATOM 0 HA LEU A 78 8.683 3.633 -14.997 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.783 2.770 -12.728 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.716 1.218 -13.539 1.00 40.00 H new ATOM 0 HG LEU A 78 10.873 3.343 -15.208 1.00 14.14 H new ATOM 0 HD11 LEU A 78 13.009 3.436 -13.984 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.675 4.137 -13.038 1.00 21.42 H new ATOM 0 HD13 LEU A 78 12.280 2.509 -12.651 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.579 1.604 -15.581 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.833 0.606 -14.310 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.931 0.969 -15.800 1.00 52.03 H new ATOM 1213 N THR A 79 8.802 1.456 -16.469 1.00 53.44 N ATOM 1214 CA THR A 79 8.488 0.446 -17.472 1.00 2.24 C ATOM 1215 C THR A 79 9.386 -0.776 -17.320 1.00 31.21 C ATOM 1216 O THR A 79 10.486 -0.688 -16.774 1.00 53.42 O ATOM 1217 CB THR A 79 8.638 1.005 -18.899 1.00 73.11 C ATOM 1218 OG1 THR A 79 9.291 2.279 -18.860 1.00 25.35 O ATOM 1219 CG2 THR A 79 7.280 1.145 -19.571 1.00 71.32 C ATOM 0 H THR A 79 9.643 1.999 -16.666 1.00 53.44 H new ATOM 0 HA THR A 79 7.450 0.154 -17.312 1.00 2.24 H new ATOM 0 HB THR A 79 9.241 0.306 -19.478 1.00 73.11 H new ATOM 0 HG1 THR A 79 9.384 2.627 -19.771 1.00 25.35 H new ATOM 0 HG21 THR A 79 7.411 1.542 -20.578 1.00 71.32 H new ATOM 0 HG22 THR A 79 6.799 0.169 -19.626 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.656 1.825 -18.992 1.00 71.32 H new ATOM 1227 N VAL A 80 8.911 -1.918 -17.808 1.00 5.33 N ATOM 1228 CA VAL A 80 9.672 -3.159 -17.728 1.00 10.20 C ATOM 1229 C VAL A 80 10.924 -3.093 -18.595 1.00 63.11 C ATOM 1230 O VAL A 80 12.000 -3.526 -18.185 1.00 72.02 O ATOM 1231 CB VAL A 80 8.822 -4.368 -18.163 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.640 -5.648 -18.096 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.572 -4.477 -17.304 1.00 54.23 C ATOM 0 H VAL A 80 8.003 -2.009 -18.263 1.00 5.33 H new ATOM 0 HA VAL A 80 9.962 -3.285 -16.685 1.00 10.20 H new ATOM 0 HB VAL A 80 8.511 -4.219 -19.197 1.00 1.42 H new ATOM 0 HG11 VAL A 80 9.023 -6.491 -18.407 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.501 -5.565 -18.759 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.983 -5.807 -17.074 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.984 -5.336 -17.625 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.858 -4.603 -16.260 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.977 -3.570 -17.410 1.00 54.23 H new ATOM 1243 N GLY A 81 10.775 -2.547 -19.799 1.00 1.42 N ATOM 1244 CA GLY A 81 11.903 -2.434 -20.706 1.00 4.53 C ATOM 1245 C GLY A 81 13.092 -1.741 -20.069 1.00 72.43 C ATOM 1246 O GLY A 81 14.238 -2.131 -20.292 1.00 54.32 O ATOM 0 H GLY A 81 9.895 -2.182 -20.162 1.00 1.42 H new ATOM 0 HA2 GLY A 81 12.201 -3.429 -21.037 1.00 4.53 H new ATOM 0 HA3 GLY A 81 11.597 -1.881 -21.594 1.00 4.53 H new ATOM 1250 N ASP A 82 12.820 -0.711 -19.276 1.00 14.13 N ATOM 1251 CA ASP A 82 13.876 0.038 -18.605 1.00 21.43 C ATOM 1252 C ASP A 82 14.662 -0.861 -17.657 1.00 23.42 C ATOM 1253 O ASP A 82 15.880 -0.992 -17.776 1.00 72.21 O ATOM 1254 CB ASP A 82 13.284 1.218 -17.835 1.00 22.14 C ATOM 1255 CG ASP A 82 13.748 2.556 -18.378 1.00 13.02 C ATOM 1256 OD1 ASP A 82 14.909 2.934 -18.112 1.00 14.15 O ATOM 1257 OD2 ASP A 82 12.952 3.225 -19.068 1.00 41.32 O1- ATOM 0 H ASP A 82 11.877 -0.375 -19.082 1.00 14.13 H new ATOM 0 HA ASP A 82 14.558 0.417 -19.366 1.00 21.43 H new ATOM 0 HB2 ASP A 82 12.196 1.168 -17.880 1.00 22.14 H new ATOM 0 HB3 ASP A 82 13.563 1.139 -16.784 1.00 22.14 H new ATOM 1262 N ALA A 83 13.957 -1.481 -16.716 1.00 45.42 N ATOM 1263 CA ALA A 83 14.588 -2.368 -15.748 1.00 21.54 C ATOM 1264 C ALA A 83 15.294 -3.526 -16.444 1.00 74.42 C ATOM 1265 O ALA A 83 16.341 -3.990 -15.992 1.00 71.11 O ATOM 1266 CB ALA A 83 13.554 -2.895 -14.762 1.00 12.34 C ATOM 0 H ALA A 83 12.948 -1.385 -16.604 1.00 45.42 H new ATOM 0 HA ALA A 83 15.337 -1.795 -15.202 1.00 21.54 H new ATOM 0 HB1 ALA A 83 14.039 -3.556 -14.044 1.00 12.34 H new ATOM 0 HB2 ALA A 83 13.097 -2.059 -14.233 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.785 -3.447 -15.302 1.00 12.34 H new ATOM 1272 N LEU A 84 14.715 -3.990 -17.546 1.00 41.30 N ATOM 1273 CA LEU A 84 15.290 -5.095 -18.306 1.00 72.41 C ATOM 1274 C LEU A 84 16.691 -4.747 -18.798 1.00 23.24 C ATOM 1275 O LEU A 84 17.641 -5.501 -18.585 1.00 61.34 O ATOM 1276 CB LEU A 84 14.392 -5.444 -19.494 1.00 54.12 C ATOM 1277 CG LEU A 84 13.931 -6.899 -19.581 1.00 10.02 C ATOM 1278 CD1 LEU A 84 15.120 -7.826 -19.779 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.152 -7.289 -18.333 1.00 24.15 C ATOM 0 H LEU A 84 13.848 -3.618 -17.933 1.00 41.30 H new ATOM 0 HA LEU A 84 15.361 -5.959 -17.646 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.509 -4.806 -19.457 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.925 -5.197 -20.412 1.00 54.12 H new ATOM 0 HG LEU A 84 13.271 -6.998 -20.443 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.772 -8.857 -19.839 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.636 -7.564 -20.702 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.806 -7.723 -18.938 1.00 35.23 H new ATOM 0 HD21 LEU A 84 12.832 -8.328 -18.414 1.00 24.15 H new ATOM 0 HD22 LEU A 84 13.788 -7.172 -17.456 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.277 -6.647 -18.235 1.00 24.15 H new ATOM 1291 N LYS A 85 16.813 -3.599 -19.455 1.00 13.23 N ATOM 1292 CA LYS A 85 18.099 -3.147 -19.975 1.00 53.44 C ATOM 1293 C LYS A 85 19.162 -3.156 -18.880 1.00 73.11 C ATOM 1294 O LYS A 85 20.302 -3.555 -19.114 1.00 1.12 O ATOM 1295 CB LYS A 85 17.969 -1.741 -20.564 1.00 25.42 C ATOM 1296 CG LYS A 85 18.615 -1.592 -21.931 1.00 52.24 C ATOM 1297 CD LYS A 85 20.017 -1.018 -21.825 1.00 12.13 C ATOM 1298 CE LYS A 85 21.061 -1.997 -22.339 1.00 30.01 C ATOM 1299 NZ LYS A 85 22.446 -1.549 -22.022 1.00 0.02 N1+ ATOM 0 H LYS A 85 16.037 -2.964 -19.640 1.00 13.23 H new ATOM 0 HA LYS A 85 18.407 -3.836 -20.762 1.00 53.44 H new ATOM 0 HB2 LYS A 85 16.912 -1.485 -20.641 1.00 25.42 H new ATOM 0 HB3 LYS A 85 18.422 -1.025 -19.878 1.00 25.42 H new ATOM 0 HG2 LYS A 85 18.655 -2.564 -22.423 1.00 52.24 H new ATOM 0 HG3 LYS A 85 18.001 -0.943 -22.556 1.00 52.24 H new ATOM 0 HD2 LYS A 85 20.075 -0.090 -22.394 1.00 12.13 H new ATOM 0 HD3 LYS A 85 20.231 -0.768 -20.786 1.00 12.13 H new ATOM 0 HE2 LYS A 85 20.887 -2.978 -21.898 1.00 30.01 H new ATOM 0 HE3 LYS A 85 20.954 -2.109 -23.418 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 23.128 -2.243 -22.389 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 22.621 -0.624 -22.464 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 22.557 -1.467 -20.991 1.00 0.02 H new ATOM 1313 N GLN A 86 18.779 -2.713 -17.687 1.00 11.43 N ATOM 1314 CA GLN A 86 19.700 -2.670 -16.557 1.00 53.23 C ATOM 1315 C GLN A 86 19.858 -4.052 -15.932 1.00 21.22 C ATOM 1316 O GLN A 86 20.818 -4.310 -15.207 1.00 41.42 O ATOM 1317 CB GLN A 86 19.204 -1.675 -15.506 1.00 12.42 C ATOM 1318 CG GLN A 86 18.718 -0.361 -16.095 1.00 73.05 C ATOM 1319 CD GLN A 86 18.584 0.732 -15.053 1.00 42.21 C ATOM 1320 OE1 GLN A 86 19.560 1.400 -14.709 1.00 72.11 O ATOM 1321 NE2 GLN A 86 17.373 0.919 -14.541 1.00 61.43 N ATOM 0 H GLN A 86 17.838 -2.379 -17.478 1.00 11.43 H new ATOM 0 HA GLN A 86 20.673 -2.344 -16.925 1.00 53.23 H new ATOM 0 HB2 GLN A 86 18.393 -2.132 -14.939 1.00 12.42 H new ATOM 0 HB3 GLN A 86 20.010 -1.472 -14.801 1.00 12.42 H new ATOM 0 HG2 GLN A 86 19.412 -0.036 -16.870 1.00 73.05 H new ATOM 0 HG3 GLN A 86 17.753 -0.518 -16.577 1.00 73.05 H new ATOM 0 HE21 GLN A 86 16.592 0.343 -14.855 1.00 61.43 H new ATOM 0 HE22 GLN A 86 17.224 1.639 -13.834 1.00 61.43 H new ATOM 1330 N GLY A 87 18.909 -4.938 -16.218 1.00 0.43 N ATOM 1331 CA GLY A 87 18.962 -6.283 -15.675 1.00 2.32 C ATOM 1332 C GLY A 87 18.428 -6.357 -14.258 1.00 44.42 C ATOM 1333 O GLY A 87 19.038 -6.982 -13.389 1.00 32.22 O ATOM 0 H GLY A 87 18.105 -4.749 -16.816 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.385 -6.952 -16.313 1.00 2.32 H new ATOM 0 HA3 GLY A 87 19.993 -6.638 -15.691 1.00 2.32 H new ATOM 1337 N LYS A 88 17.289 -5.716 -14.022 1.00 21.33 N ATOM 1338 CA LYS A 88 16.673 -5.711 -12.700 1.00 11.34 C ATOM 1339 C LYS A 88 15.928 -7.017 -12.442 1.00 1.12 C ATOM 1340 O LYS A 88 15.846 -7.480 -11.303 1.00 61.44 O ATOM 1341 CB LYS A 88 15.711 -4.528 -12.568 1.00 75.34 C ATOM 1342 CG LYS A 88 16.365 -3.182 -12.820 1.00 24.51 C ATOM 1343 CD LYS A 88 16.933 -2.588 -11.541 1.00 73.13 C ATOM 1344 CE LYS A 88 18.450 -2.501 -11.594 1.00 11.13 C ATOM 1345 NZ LYS A 88 19.002 -1.736 -10.442 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.773 -5.193 -14.729 1.00 21.33 H new ATOM 0 HA LYS A 88 17.465 -5.612 -11.958 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.888 -4.660 -13.270 1.00 75.34 H new ATOM 0 HB3 LYS A 88 15.280 -4.531 -11.567 1.00 75.34 H new ATOM 0 HG2 LYS A 88 17.162 -3.296 -13.554 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.634 -2.496 -13.247 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.516 -1.593 -11.384 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.632 -3.199 -10.690 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.872 -3.506 -11.598 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.754 -2.024 -12.526 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 20.039 -1.699 -10.515 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.620 -0.769 -10.452 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.734 -2.205 -9.553 1.00 30.44 H new ATOM 1359 N ILE A 89 15.389 -7.606 -13.504 1.00 4.34 N ATOM 1360 CA ILE A 89 14.655 -8.859 -13.391 1.00 61.10 C ATOM 1361 C ILE A 89 15.490 -10.033 -13.892 1.00 40.34 C ATOM 1362 O ILE A 89 15.974 -10.025 -15.023 1.00 73.31 O ATOM 1363 CB ILE A 89 13.333 -8.810 -14.180 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.517 -7.581 -13.776 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.533 -10.084 -13.952 1.00 22.12 C ATOM 1366 CD1 ILE A 89 11.890 -6.859 -14.947 1.00 63.11 C ATOM 0 H ILE A 89 15.447 -7.235 -14.452 1.00 4.34 H new ATOM 0 HA ILE A 89 14.433 -9.000 -12.333 1.00 61.10 H new ATOM 0 HB ILE A 89 13.564 -8.735 -15.243 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.731 -7.888 -13.086 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.162 -6.888 -13.236 1.00 63.53 H new ATOM 0 HG21 ILE A 89 11.602 -10.035 -14.516 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.114 -10.943 -14.286 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.309 -10.188 -12.890 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.327 -5.999 -14.585 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.672 -6.521 -15.627 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.218 -7.536 -15.475 1.00 63.11 H new ATOM 1378 N GLU A 90 15.652 -11.043 -13.042 1.00 44.31 N ATOM 1379 CA GLU A 90 16.427 -12.225 -13.399 1.00 3.44 C ATOM 1380 C GLU A 90 15.509 -13.390 -13.760 1.00 63.21 C ATOM 1381 O GLU A 90 14.403 -13.509 -13.232 1.00 12.42 O ATOM 1382 CB GLU A 90 17.348 -12.625 -12.245 1.00 21.54 C ATOM 1383 CG GLU A 90 18.818 -12.348 -12.515 1.00 21.32 C ATOM 1384 CD GLU A 90 19.683 -13.583 -12.360 1.00 53.14 C ATOM 1385 OE1 GLU A 90 19.243 -14.672 -12.786 1.00 2.24 O ATOM 1386 OE2 GLU A 90 20.800 -13.462 -11.815 1.00 73.11 O1- ATOM 0 H GLU A 90 15.257 -11.066 -12.102 1.00 44.31 H new ATOM 0 HA GLU A 90 17.034 -11.981 -14.271 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.045 -12.088 -11.346 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.219 -13.688 -12.040 1.00 21.54 H new ATOM 0 HG2 GLU A 90 18.930 -11.955 -13.526 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.170 -11.575 -11.832 1.00 21.32 H new ATOM 1393 N LEU A 91 15.976 -14.245 -14.663 1.00 41.35 N ATOM 1394 CA LEU A 91 15.199 -15.400 -15.096 1.00 12.31 C ATOM 1395 C LEU A 91 16.049 -16.667 -15.077 1.00 71.23 C ATOM 1396 O LEU A 91 17.221 -16.645 -15.451 1.00 24.34 O ATOM 1397 CB LEU A 91 14.640 -15.167 -16.500 1.00 34.35 C ATOM 1398 CG LEU A 91 15.632 -14.634 -17.536 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.228 -15.777 -18.343 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.954 -13.628 -18.455 1.00 15.23 C ATOM 0 H LEU A 91 16.889 -14.160 -15.109 1.00 41.35 H new ATOM 0 HA LEU A 91 14.371 -15.531 -14.400 1.00 12.31 H new ATOM 0 HB2 LEU A 91 14.231 -16.108 -16.868 1.00 34.35 H new ATOM 0 HB3 LEU A 91 13.809 -14.465 -16.427 1.00 34.35 H new ATOM 0 HG LEU A 91 16.441 -14.128 -17.009 1.00 43.14 H new ATOM 0 HD11 LEU A 91 16.931 -15.378 -19.074 1.00 21.14 H new ATOM 0 HD12 LEU A 91 16.750 -16.461 -17.674 1.00 21.14 H new ATOM 0 HD13 LEU A 91 15.431 -16.312 -18.860 1.00 21.14 H new ATOM 0 HD21 LEU A 91 15.674 -13.259 -19.185 1.00 15.23 H new ATOM 0 HD22 LEU A 91 14.125 -14.110 -18.974 1.00 15.23 H new ATOM 0 HD23 LEU A 91 14.576 -12.793 -17.865 1.00 15.23 H new ATOM 1412 N SER A 92 15.448 -17.770 -14.641 1.00 62.30 N ATOM 1413 CA SER A 92 16.150 -19.045 -14.572 1.00 12.01 C ATOM 1414 C SER A 92 15.361 -20.139 -15.285 1.00 53.43 C ATOM 1415 O SER A 92 14.304 -20.561 -14.819 1.00 42.11 O ATOM 1416 CB SER A 92 16.390 -19.442 -13.114 1.00 32.04 C ATOM 1417 OG SER A 92 15.891 -18.455 -12.228 1.00 24.24 O ATOM 0 H SER A 92 14.477 -17.805 -14.331 1.00 62.30 H new ATOM 0 HA SER A 92 17.111 -18.929 -15.072 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.906 -20.397 -12.909 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.457 -19.583 -12.943 1.00 32.04 H new ATOM 0 HG SER A 92 16.193 -18.651 -11.316 1.00 24.24 H new ATOM 1423 N GLY A 93 15.884 -20.594 -16.419 1.00 72.14 N ATOM 1424 CA GLY A 93 15.216 -21.634 -17.180 1.00 41.14 C ATOM 1425 C GLY A 93 14.979 -21.236 -18.623 1.00 52.41 C ATOM 1426 O GLY A 93 15.756 -21.594 -19.509 1.00 72.03 O ATOM 0 H GLY A 93 16.759 -20.261 -16.825 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.816 -22.543 -17.151 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.261 -21.868 -16.709 1.00 41.14 H new ATOM 1430 N ASP A 94 13.902 -20.495 -18.862 1.00 50.01 N ATOM 1431 CA ASP A 94 13.564 -20.049 -20.208 1.00 42.00 C ATOM 1432 C ASP A 94 13.243 -18.557 -20.220 1.00 61.22 C ATOM 1433 O ASP A 94 12.183 -18.136 -19.761 1.00 24.31 O ATOM 1434 CB ASP A 94 12.375 -20.843 -20.748 1.00 44.20 C ATOM 1435 CG ASP A 94 12.684 -21.523 -22.068 1.00 62.13 C ATOM 1436 OD1 ASP A 94 11.936 -21.296 -23.042 1.00 22.23 O ATOM 1437 OD2 ASP A 94 13.673 -22.281 -22.127 1.00 42.01 O1- ATOM 0 H ASP A 94 13.248 -20.191 -18.141 1.00 50.01 H new ATOM 0 HA ASP A 94 14.428 -20.223 -20.850 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.081 -21.595 -20.015 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.524 -20.174 -20.878 1.00 44.20 H new ATOM 1442 N ALA A 95 14.168 -17.762 -20.750 1.00 52.22 N ATOM 1443 CA ALA A 95 13.983 -16.319 -20.823 1.00 61.03 C ATOM 1444 C ALA A 95 12.783 -15.963 -21.693 1.00 63.24 C ATOM 1445 O ALA A 95 12.157 -14.919 -21.507 1.00 24.01 O ATOM 1446 CB ALA A 95 15.242 -15.652 -21.360 1.00 22.22 C ATOM 0 H ALA A 95 15.052 -18.094 -21.135 1.00 52.22 H new ATOM 0 HA ALA A 95 13.791 -15.951 -19.815 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.090 -14.574 -21.409 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.080 -15.870 -20.698 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.459 -16.034 -22.358 1.00 22.22 H new ATOM 1452 N ASP A 96 12.467 -16.835 -22.643 1.00 31.21 N ATOM 1453 CA ASP A 96 11.340 -16.613 -23.542 1.00 63.04 C ATOM 1454 C ASP A 96 10.021 -16.641 -22.776 1.00 71.11 C ATOM 1455 O ASP A 96 9.152 -15.792 -22.984 1.00 42.54 O ATOM 1456 CB ASP A 96 11.325 -17.670 -24.647 1.00 13.52 C ATOM 1457 CG ASP A 96 10.622 -17.187 -25.901 1.00 14.13 C ATOM 1458 OD1 ASP A 96 9.738 -16.310 -25.786 1.00 42.02 O ATOM 1459 OD2 ASP A 96 10.955 -17.683 -26.996 1.00 51.14 O1- ATOM 0 H ASP A 96 12.975 -17.703 -22.811 1.00 31.21 H new ATOM 0 HA ASP A 96 11.456 -15.628 -23.994 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.350 -17.949 -24.893 1.00 13.52 H new ATOM 0 HB3 ASP A 96 10.830 -18.569 -24.279 1.00 13.52 H new ATOM 1464 N LEU A 97 9.877 -17.622 -21.892 1.00 21.24 N ATOM 1465 CA LEU A 97 8.663 -17.762 -21.095 1.00 53.03 C ATOM 1466 C LEU A 97 8.427 -16.520 -20.239 1.00 34.03 C ATOM 1467 O LEU A 97 7.324 -15.976 -20.209 1.00 22.40 O ATOM 1468 CB LEU A 97 8.755 -19.000 -20.204 1.00 23.04 C ATOM 1469 CG LEU A 97 7.848 -20.170 -20.585 1.00 32.22 C ATOM 1470 CD1 LEU A 97 8.147 -21.383 -19.717 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.384 -19.773 -20.462 1.00 13.34 C ATOM 0 H LEU A 97 10.586 -18.332 -21.709 1.00 21.24 H new ATOM 0 HA LEU A 97 7.821 -17.875 -21.777 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.787 -19.350 -20.208 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.523 -18.705 -19.181 1.00 23.04 H new ATOM 0 HG LEU A 97 8.046 -20.434 -21.624 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.491 -22.206 -20.003 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.186 -21.682 -19.855 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.978 -21.132 -18.670 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.753 -20.618 -20.737 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.171 -19.481 -19.434 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.177 -18.935 -21.127 1.00 13.34 H new ATOM 1483 N ALA A 98 9.472 -16.080 -19.546 1.00 51.02 N ATOM 1484 CA ALA A 98 9.380 -14.900 -18.693 1.00 72.21 C ATOM 1485 C ALA A 98 9.243 -13.630 -19.525 1.00 74.34 C ATOM 1486 O ALA A 98 8.480 -12.730 -19.179 1.00 70.15 O ATOM 1487 CB ALA A 98 10.597 -14.811 -17.785 1.00 43.44 C ATOM 0 H ALA A 98 10.391 -16.522 -19.558 1.00 51.02 H new ATOM 0 HA ALA A 98 8.486 -14.996 -18.076 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.516 -13.926 -17.154 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.649 -15.701 -17.158 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.500 -14.742 -18.392 1.00 43.44 H new ATOM 1493 N ALA A 99 9.988 -13.565 -20.623 1.00 41.25 N ATOM 1494 CA ALA A 99 9.949 -12.404 -21.505 1.00 41.24 C ATOM 1495 C ALA A 99 8.537 -12.160 -22.027 1.00 64.45 C ATOM 1496 O ALA A 99 8.055 -11.028 -22.038 1.00 63.22 O ATOM 1497 CB ALA A 99 10.917 -12.588 -22.664 1.00 14.33 C ATOM 0 H ALA A 99 10.626 -14.302 -20.924 1.00 41.25 H new ATOM 0 HA ALA A 99 10.252 -11.530 -20.928 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.877 -11.714 -23.314 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.929 -12.707 -22.277 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.639 -13.476 -23.233 1.00 14.33 H new ATOM 1503 N LYS A 100 7.879 -13.229 -22.461 1.00 1.23 N ATOM 1504 CA LYS A 100 6.522 -13.132 -22.985 1.00 72.44 C ATOM 1505 C LYS A 100 5.608 -12.412 -21.999 1.00 13.34 C ATOM 1506 O LYS A 100 4.750 -11.622 -22.395 1.00 61.21 O ATOM 1507 CB LYS A 100 5.967 -14.527 -23.286 1.00 31.43 C ATOM 1508 CG LYS A 100 4.945 -14.547 -24.408 1.00 4.53 C ATOM 1509 CD LYS A 100 3.957 -15.689 -24.242 1.00 22.41 C ATOM 1510 CE LYS A 100 2.563 -15.294 -24.707 1.00 35.11 C ATOM 1511 NZ LYS A 100 2.422 -15.397 -26.186 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.264 -14.174 -22.460 1.00 1.23 H new ATOM 0 HA LYS A 100 6.557 -12.555 -23.909 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.793 -15.189 -23.547 1.00 31.43 H new ATOM 0 HB3 LYS A 100 5.509 -14.929 -22.382 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.407 -13.599 -24.428 1.00 4.53 H new ATOM 0 HG3 LYS A 100 5.457 -14.644 -25.366 1.00 4.53 H new ATOM 0 HD2 LYS A 100 4.300 -16.553 -24.811 1.00 22.41 H new ATOM 0 HD3 LYS A 100 3.920 -15.990 -23.195 1.00 22.41 H new ATOM 0 HE2 LYS A 100 1.824 -15.935 -24.226 1.00 35.11 H new ATOM 0 HE3 LYS A 100 2.351 -14.272 -24.392 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 1.459 -15.120 -26.463 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 3.110 -14.766 -26.645 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 2.599 -16.377 -26.484 1.00 40.13 H new ATOM 1525 N LEU A 101 5.797 -12.689 -20.713 1.00 12.30 N ATOM 1526 CA LEU A 101 4.991 -12.066 -19.670 1.00 3.23 C ATOM 1527 C LEU A 101 5.079 -10.545 -19.747 1.00 62.45 C ATOM 1528 O LEU A 101 4.062 -9.854 -19.764 1.00 14.21 O ATOM 1529 CB LEU A 101 5.447 -12.544 -18.291 1.00 62.20 C ATOM 1530 CG LEU A 101 4.432 -13.366 -17.495 1.00 45.40 C ATOM 1531 CD1 LEU A 101 4.958 -13.655 -16.098 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.097 -12.638 -17.424 1.00 34.24 C ATOM 0 H LEU A 101 6.502 -13.341 -20.368 1.00 12.30 H new ATOM 0 HA LEU A 101 3.953 -12.360 -19.825 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.350 -13.142 -18.416 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.722 -11.671 -17.699 1.00 62.20 H new ATOM 0 HG LEU A 101 4.279 -14.316 -18.007 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.223 -14.241 -15.546 1.00 50.44 H new ATOM 0 HD12 LEU A 101 5.890 -14.216 -16.169 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.139 -12.716 -15.576 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.386 -13.236 -16.854 1.00 34.24 H new ATOM 0 HD22 LEU A 101 3.234 -11.674 -16.935 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.714 -12.482 -18.432 1.00 34.24 H new ATOM 1544 N ALA A 102 6.304 -10.031 -19.798 1.00 31.42 N ATOM 1545 CA ALA A 102 6.526 -8.592 -19.880 1.00 1.32 C ATOM 1546 C ALA A 102 5.670 -7.966 -20.975 1.00 62.44 C ATOM 1547 O ALA A 102 5.281 -6.802 -20.880 1.00 20.35 O ATOM 1548 CB ALA A 102 7.999 -8.298 -20.123 1.00 64.24 C ATOM 0 H ALA A 102 7.157 -10.589 -19.784 1.00 31.42 H new ATOM 0 HA ALA A 102 6.232 -8.149 -18.929 1.00 1.32 H new ATOM 0 HB1 ALA A 102 8.150 -7.220 -20.182 1.00 64.24 H new ATOM 0 HB2 ALA A 102 8.591 -8.703 -19.302 1.00 64.24 H new ATOM 0 HB3 ALA A 102 8.313 -8.760 -21.059 1.00 64.24 H new ATOM 1554 N GLU A 103 5.383 -8.745 -22.012 1.00 45.13 N ATOM 1555 CA GLU A 103 4.574 -8.264 -23.126 1.00 0.13 C ATOM 1556 C GLU A 103 3.107 -8.145 -22.723 1.00 54.13 C ATOM 1557 O GLU A 103 2.520 -7.064 -22.782 1.00 43.44 O ATOM 1558 CB GLU A 103 4.709 -9.203 -24.327 1.00 65.34 C ATOM 1559 CG GLU A 103 4.330 -8.559 -25.649 1.00 71.40 C ATOM 1560 CD GLU A 103 3.292 -9.359 -26.412 1.00 43.23 C ATOM 1561 OE1 GLU A 103 2.093 -9.021 -26.315 1.00 35.33 O ATOM 1562 OE2 GLU A 103 3.678 -10.323 -27.106 1.00 44.42 O1- ATOM 0 H GLU A 103 5.698 -9.711 -22.105 1.00 45.13 H new ATOM 0 HA GLU A 103 4.938 -7.275 -23.404 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.738 -9.557 -24.387 1.00 65.34 H new ATOM 0 HB3 GLU A 103 4.080 -10.078 -24.165 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.946 -7.556 -25.463 1.00 71.40 H new ATOM 0 HG3 GLU A 103 5.223 -8.449 -26.264 1.00 71.40 H new ATOM 1569 N VAL A 104 2.520 -9.265 -22.313 1.00 33.41 N ATOM 1570 CA VAL A 104 1.122 -9.287 -21.898 1.00 23.33 C ATOM 1571 C VAL A 104 0.871 -8.306 -20.758 1.00 20.50 C ATOM 1572 O VAL A 104 -0.253 -7.843 -20.562 1.00 4.15 O ATOM 1573 CB VAL A 104 0.692 -10.698 -21.452 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.509 -11.607 -22.657 1.00 74.10 C ATOM 1575 CG2 VAL A 104 1.707 -11.281 -20.481 1.00 43.11 C ATOM 0 H VAL A 104 2.990 -10.168 -22.259 1.00 33.41 H new ATOM 0 HA VAL A 104 0.530 -8.991 -22.764 1.00 23.33 H new ATOM 0 HB VAL A 104 -0.266 -10.622 -20.938 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.205 -12.599 -22.322 1.00 74.10 H new ATOM 0 HG12 VAL A 104 -0.259 -11.194 -23.311 1.00 74.10 H new ATOM 0 HG13 VAL A 104 1.449 -11.681 -23.203 1.00 74.10 H new ATOM 0 HG21 VAL A 104 1.388 -12.278 -20.176 1.00 43.11 H new ATOM 0 HG22 VAL A 104 2.681 -11.344 -20.967 1.00 43.11 H new ATOM 0 HG23 VAL A 104 1.781 -10.639 -19.603 1.00 43.11 H new ATOM 1585 N ILE A 105 1.924 -7.993 -20.011 1.00 64.50 N ATOM 1586 CA ILE A 105 1.818 -7.066 -18.892 1.00 64.45 C ATOM 1587 C ILE A 105 1.218 -5.735 -19.336 1.00 25.40 C ATOM 1588 O ILE A 105 0.523 -5.068 -18.568 1.00 74.01 O ATOM 1589 CB ILE A 105 3.190 -6.807 -18.244 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.548 -7.942 -17.283 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.187 -5.471 -17.515 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.946 -7.837 -16.716 1.00 20.20 C ATOM 0 H ILE A 105 2.861 -8.368 -20.161 1.00 64.50 H new ATOM 0 HA ILE A 105 1.161 -7.531 -18.157 1.00 64.45 H new ATOM 0 HB ILE A 105 3.945 -6.770 -19.030 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.832 -7.951 -16.462 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.447 -8.894 -17.804 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.164 -5.302 -17.062 1.00 10.31 H new ATOM 0 HG22 ILE A 105 2.972 -4.671 -18.223 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.423 -5.483 -16.737 1.00 10.31 H new ATOM 0 HD11 ILE A 105 5.130 -8.675 -16.043 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.671 -7.859 -17.529 1.00 20.20 H new ATOM 0 HD13 ILE A 105 5.046 -6.901 -16.166 1.00 20.20 H new ATOM 1604 N HIS A 106 1.489 -5.356 -20.580 1.00 4.44 N ATOM 1605 CA HIS A 106 0.975 -4.105 -21.128 1.00 52.41 C ATOM 1606 C HIS A 106 -0.535 -4.009 -20.933 1.00 72.24 C ATOM 1607 O HIS A 106 -1.031 -3.075 -20.301 1.00 4.11 O ATOM 1608 CB HIS A 106 1.318 -3.996 -22.614 1.00 33.32 C ATOM 1609 CG HIS A 106 2.562 -3.208 -22.885 1.00 62.22 C ATOM 1610 ND1 HIS A 106 2.607 -2.155 -23.774 1.00 53.42 N ATOM 1611 CD2 HIS A 106 3.812 -3.323 -22.378 1.00 33.43 C ATOM 1612 CE1 HIS A 106 3.831 -1.658 -23.802 1.00 21.21 C ATOM 1613 NE2 HIS A 106 4.581 -2.350 -22.963 1.00 23.34 N ATOM 0 H HIS A 106 2.062 -5.897 -21.228 1.00 4.44 H new ATOM 0 HA HIS A 106 1.446 -3.280 -20.594 1.00 52.41 H new ATOM 0 HB2 HIS A 106 1.436 -4.998 -23.026 1.00 33.32 H new ATOM 0 HB3 HIS A 106 0.482 -3.532 -23.138 1.00 33.32 H new ATOM 0 HD2 HIS A 106 4.142 -4.047 -21.648 1.00 33.43 H new ATOM 0 HE1 HIS A 106 4.162 -0.827 -24.408 1.00 21.21 H new ATOM 0 HE2 HIS A 106 5.571 -2.187 -22.780 1.00 23.34 H new ATOM 1621 N HIS A 107 -1.261 -4.977 -21.482 1.00 10.53 N ATOM 1622 CA HIS A 107 -2.715 -5.000 -21.368 1.00 31.12 C ATOM 1623 C HIS A 107 -3.315 -3.670 -21.812 1.00 63.22 C ATOM 1624 O HIS A 107 -2.622 -2.818 -22.368 1.00 44.22 O ATOM 1625 CB HIS A 107 -3.130 -5.306 -19.929 1.00 2.41 C ATOM 1626 CG HIS A 107 -4.034 -6.495 -19.806 1.00 35.31 C ATOM 1627 ND1 HIS A 107 -5.388 -6.390 -19.568 1.00 74.24 N ATOM 1628 CD2 HIS A 107 -3.770 -7.819 -19.891 1.00 40.51 C ATOM 1629 CE1 HIS A 107 -5.918 -7.599 -19.511 1.00 60.13 C ATOM 1630 NE2 HIS A 107 -4.957 -8.484 -19.704 1.00 32.02 N ATOM 0 H HIS A 107 -0.867 -5.756 -22.010 1.00 10.53 H new ATOM 0 HA HIS A 107 -3.094 -5.786 -22.022 1.00 31.12 H new ATOM 0 HB2 HIS A 107 -2.235 -5.477 -19.330 1.00 2.41 H new ATOM 0 HB3 HIS A 107 -3.632 -4.433 -19.511 1.00 2.41 H new ATOM 0 HD2 HIS A 107 -2.805 -8.269 -20.072 1.00 40.51 H new ATOM 0 HE1 HIS A 107 -6.960 -7.825 -19.336 1.00 60.13 H new ATOM 0 HE2 HIS A 107 -5.077 -9.497 -19.713 1.00 32.02 H new ATOM 1638 N HIS A 108 -4.610 -3.498 -21.563 1.00 45.32 N ATOM 1639 CA HIS A 108 -5.305 -2.271 -21.937 1.00 4.03 C ATOM 1640 C HIS A 108 -4.957 -1.137 -20.979 1.00 72.22 C ATOM 1641 O HIS A 108 -4.244 -0.200 -21.341 1.00 3.23 O ATOM 1642 CB HIS A 108 -6.816 -2.499 -21.950 1.00 41.24 C ATOM 1643 CG HIS A 108 -7.349 -2.912 -23.287 1.00 54.24 C ATOM 1644 ND1 HIS A 108 -8.420 -2.291 -23.895 1.00 72.21 N ATOM 1645 CD2 HIS A 108 -6.952 -3.889 -24.135 1.00 62.05 C ATOM 1646 CE1 HIS A 108 -8.659 -2.869 -25.059 1.00 12.10 C ATOM 1647 NE2 HIS A 108 -7.782 -3.842 -25.228 1.00 53.45 N ATOM 0 H HIS A 108 -5.199 -4.193 -21.104 1.00 45.32 H new ATOM 0 HA HIS A 108 -4.980 -1.989 -22.939 1.00 4.03 H new ATOM 0 HB2 HIS A 108 -7.066 -3.265 -21.216 1.00 41.24 H new ATOM 0 HB3 HIS A 108 -7.316 -1.583 -21.636 1.00 41.24 H new ATOM 0 HD2 HIS A 108 -6.134 -4.578 -23.981 1.00 62.05 H new ATOM 0 HE1 HIS A 108 -9.438 -2.593 -25.754 1.00 12.10 H new ATOM 0 HE2 HIS A 108 -7.730 -4.459 -26.039 1.00 53.45 H new ATOM 1655 N HIS A 109 -5.467 -1.225 -19.754 1.00 52.35 N ATOM 1656 CA HIS A 109 -5.210 -0.206 -18.743 1.00 11.14 C ATOM 1657 C HIS A 109 -5.836 -0.594 -17.408 1.00 61.53 C ATOM 1658 O HIS A 109 -5.131 -0.897 -16.444 1.00 23.40 O ATOM 1659 CB HIS A 109 -5.757 1.146 -19.202 1.00 3.42 C ATOM 1660 CG HIS A 109 -4.690 2.145 -19.528 1.00 63.42 C ATOM 1661 ND1 HIS A 109 -3.665 2.462 -18.661 1.00 45.04 N ATOM 1662 CD2 HIS A 109 -4.490 2.897 -20.636 1.00 32.11 C ATOM 1663 CE1 HIS A 109 -2.883 3.368 -19.221 1.00 34.32 C ATOM 1664 NE2 HIS A 109 -3.361 3.649 -20.419 1.00 11.45 N ATOM 0 H HIS A 109 -6.061 -1.992 -19.438 1.00 52.35 H new ATOM 0 HA HIS A 109 -4.131 -0.127 -18.608 1.00 11.14 H new ATOM 0 HB2 HIS A 109 -6.383 0.996 -20.081 1.00 3.42 H new ATOM 0 HB3 HIS A 109 -6.398 1.554 -18.420 1.00 3.42 H new ATOM 0 HD2 HIS A 109 -5.104 2.904 -21.525 1.00 32.11 H new ATOM 0 HE1 HIS A 109 -2.002 3.805 -18.774 1.00 34.32 H new ATOM 0 HE2 HIS A 109 -2.958 4.316 -21.077 1.00 11.45 H new ATOM 1672 N HIS A 110 -7.165 -0.584 -17.358 1.00 63.25 N ATOM 1673 CA HIS A 110 -7.886 -0.937 -16.139 1.00 60.44 C ATOM 1674 C HIS A 110 -7.564 0.044 -15.015 1.00 41.24 C ATOM 1675 O HIS A 110 -6.588 0.790 -15.089 1.00 3.33 O ATOM 1676 CB HIS A 110 -7.536 -2.361 -15.707 1.00 25.35 C ATOM 1677 CG HIS A 110 -8.680 -3.320 -15.820 1.00 31.33 C ATOM 1678 ND1 HIS A 110 -8.561 -4.570 -16.390 1.00 3.51 N ATOM 1679 CD2 HIS A 110 -9.971 -3.208 -15.431 1.00 15.11 C ATOM 1680 CE1 HIS A 110 -9.730 -5.184 -16.347 1.00 32.02 C ATOM 1681 NE2 HIS A 110 -10.602 -4.379 -15.771 1.00 44.22 N ATOM 0 H HIS A 110 -7.764 -0.336 -18.146 1.00 63.25 H new ATOM 0 HA HIS A 110 -8.954 -0.883 -16.349 1.00 60.44 H new ATOM 0 HB2 HIS A 110 -6.708 -2.723 -16.316 1.00 25.35 H new ATOM 0 HB3 HIS A 110 -7.188 -2.343 -14.674 1.00 25.35 H new ATOM 0 HD2 HIS A 110 -10.421 -2.356 -14.944 1.00 15.11 H new ATOM 0 HE1 HIS A 110 -9.937 -6.176 -16.720 1.00 32.02 H new ATOM 0 HE2 HIS A 110 -11.586 -4.592 -15.605 1.00 44.22 H new ATOM 1689 N HIS A 111 -8.392 0.036 -13.975 1.00 71.21 N ATOM 1690 CA HIS A 111 -8.196 0.924 -12.835 1.00 52.02 C ATOM 1691 C HIS A 111 -8.174 2.383 -13.281 1.00 34.54 C ATOM 1692 O HIS A 111 -7.110 2.887 -13.639 1.00 65.33 O ATOM 1693 CB HIS A 111 -6.893 0.580 -12.112 1.00 34.45 C ATOM 1694 CG HIS A 111 -6.565 1.518 -10.991 1.00 61.54 C ATOM 1695 ND1 HIS A 111 -5.754 2.621 -11.147 1.00 13.21 N ATOM 1696 CD2 HIS A 111 -6.946 1.512 -9.692 1.00 3.44 C ATOM 1697 CE1 HIS A 111 -5.646 3.253 -9.992 1.00 13.33 C ATOM 1698 NE2 HIS A 111 -6.361 2.601 -9.093 1.00 25.24 N ATOM 0 H HIS A 111 -9.205 -0.575 -13.898 1.00 71.21 H new ATOM 0 HA HIS A 111 -9.031 0.784 -12.149 1.00 52.02 H new ATOM 0 HB2 HIS A 111 -6.962 -0.434 -11.718 1.00 34.45 H new ATOM 0 HB3 HIS A 111 -6.075 0.587 -12.832 1.00 34.45 H new ATOM 0 HD2 HIS A 111 -7.589 0.787 -9.216 1.00 3.44 H new ATOM 0 HE1 HIS A 111 -5.071 4.150 -9.813 1.00 13.33 H new ATOM 0 HE2 HIS A 111 -6.462 2.864 -8.113 1.00 25.24 H new TER 1706 HIS A 111 HETATM 1707 C1 PLM A 201 -3.125 -17.124 -20.543 1.00 11.25 C HETATM 1708 O1 PLM A 201 -2.693 -18.324 -20.063 1.00 30.44 O HETATM 1709 O2 PLM A 201 -4.290 -16.906 -20.859 1.00 43.03 O HETATM 1710 C2 PLM A 201 -1.993 -16.067 -20.655 1.00 21.42 C HETATM 1711 C3 PLM A 201 -1.544 -15.611 -19.221 1.00 43.24 C HETATM 1712 C4 PLM A 201 -0.556 -14.423 -19.196 1.00 40.30 C HETATM 1713 C5 PLM A 201 -0.910 -13.393 -18.107 1.00 45.00 C HETATM 1714 C6 PLM A 201 -0.925 -14.018 -16.699 1.00 34.21 C HETATM 1715 C7 PLM A 201 0.241 -13.517 -15.826 1.00 23.23 C HETATM 1716 C8 PLM A 201 0.311 -11.979 -15.775 1.00 50.35 C HETATM 1717 C9 PLM A 201 1.010 -11.468 -14.498 1.00 13.45 C HETATM 1718 CA PLM A 201 1.868 -12.528 -13.775 1.00 44.10 C HETATM 1719 CB PLM A 201 2.886 -11.833 -12.851 1.00 71.52 C HETATM 1720 CC PLM A 201 3.556 -13.036 -11.919 1.00 61.21 C HETATM 1721 CD PLM A 201 4.505 -12.445 -10.859 1.00 62.02 C HETATM 1722 CE PLM A 201 5.686 -11.686 -11.492 1.00 10.40 C HETATM 1723 CF PLM A 201 6.435 -12.538 -12.531 1.00 25.23 C HETATM 1724 CG PLM A 201 6.948 -13.852 -11.928 1.00 45.31 C HETATM 0 HG3 PLM A 201 7.632 -13.633 -11.108 1.00 45.31 H new HETATM 0 HG2 PLM A 201 6.106 -14.433 -11.553 1.00 45.31 H new HETATM 0 HG1 PLM A 201 7.471 -14.424 -12.694 1.00 45.31 H new HETATM 0 HF2 PLM A 201 5.772 -12.757 -13.368 1.00 25.23 H new HETATM 0 HF1 PLM A 201 7.275 -11.969 -12.930 1.00 25.23 H new HETATM 0 HE2 PLM A 201 5.318 -10.777 -11.967 1.00 10.40 H new HETATM 0 HE1 PLM A 201 6.379 -11.378 -10.709 1.00 10.40 H new HETATM 0 HD2 PLM A 201 3.947 -11.769 -10.211 1.00 62.02 H new HETATM 0 HD1 PLM A 201 4.888 -13.248 -10.229 1.00 62.02 H new HETATM 0 HC2 PLM A 201 2.766 -13.605 -11.429 1.00 61.21 H new HETATM 0 HC1 PLM A 201 4.103 -13.732 -12.555 1.00 61.21 H new HETATM 0 HB2 PLM A 201 3.651 -11.317 -13.431 1.00 71.52 H new HETATM 0 HB1 PLM A 201 2.399 -11.083 -12.228 1.00 71.52 H new HETATM 0 HA2 PLM A 201 1.228 -13.192 -13.193 1.00 44.10 H new HETATM 0 HA1 PLM A 201 2.389 -13.147 -14.505 1.00 44.10 H new HETATM 0 H92 PLM A 201 1.644 -10.621 -14.759 1.00 13.45 H new HETATM 0 H91 PLM A 201 0.253 -11.098 -13.807 1.00 13.45 H new HETATM 0 H82 PLM A 201 0.846 -11.612 -16.651 1.00 50.35 H new HETATM 0 H81 PLM A 201 -0.698 -11.570 -15.823 1.00 50.35 H new HETATM 0 H72 PLM A 201 0.129 -13.908 -14.815 1.00 23.23 H new HETATM 0 H71 PLM A 201 1.180 -13.909 -16.217 1.00 23.23 H new HETATM 0 H62 PLM A 201 -1.870 -13.783 -16.209 1.00 34.21 H new HETATM 0 H61 PLM A 201 -0.872 -15.103 -16.785 1.00 34.21 H new HETATM 0 H52 PLM A 201 -0.188 -12.577 -18.133 1.00 45.00 H new HETATM 0 H51 PLM A 201 -1.887 -12.961 -18.322 1.00 45.00 H new HETATM 0 H42 PLM A 201 0.454 -14.796 -19.026 1.00 40.30 H new HETATM 0 H41 PLM A 201 -0.555 -13.933 -20.170 1.00 40.30 H new HETATM 0 H32 PLM A 201 -2.430 -15.340 -18.648 1.00 43.24 H new HETATM 0 H31 PLM A 201 -1.083 -16.459 -18.714 1.00 43.24 H new HETATM 0 H22 PLM A 201 -1.144 -16.486 -21.195 1.00 21.42 H new HETATM 0 H21 PLM A 201 -2.342 -15.207 -21.227 1.00 21.42 H new HETATM 0 H PLM A 201 -3.371 -19.010 -20.239 1.00 30.44 H new HETATM 1757 C1 PLM A 202 0.143 -7.750 -12.712 1.00 15.44 C HETATM 1758 O1 PLM A 202 -0.942 -6.927 -12.757 1.00 73.20 O HETATM 1759 O2 PLM A 202 0.118 -8.918 -13.085 1.00 74.42 O HETATM 1760 C2 PLM A 202 1.409 -7.060 -12.135 1.00 5.04 C HETATM 1761 C3 PLM A 202 1.950 -5.996 -13.154 1.00 32.23 C HETATM 1762 C4 PLM A 202 3.028 -6.517 -14.130 1.00 44.01 C HETATM 1763 C5 PLM A 202 4.360 -5.756 -13.988 1.00 2.30 C HETATM 1764 C6 PLM A 202 5.468 -6.633 -13.375 1.00 64.43 C HETATM 1765 C7 PLM A 202 6.044 -6.024 -12.082 1.00 32.51 C HETATM 1766 C8 PLM A 202 7.554 -6.289 -11.936 1.00 51.45 C HETATM 1767 C9 PLM A 202 7.957 -7.684 -12.457 1.00 51.43 C HETATM 1768 CA PLM A 202 8.824 -7.660 -13.733 1.00 44.42 C HETATM 1769 CB PLM A 202 8.112 -8.426 -14.863 1.00 34.24 C HETATM 1770 CC PLM A 202 9.305 -9.216 -15.708 1.00 0.42 C HETATM 1771 CD PLM A 202 9.055 -9.127 -17.225 1.00 12.51 C HETATM 1772 CE PLM A 202 10.359 -8.927 -18.021 1.00 22.43 C HETATM 1773 CF PLM A 202 10.763 -10.190 -18.802 1.00 30.40 C HETATM 1774 CG PLM A 202 11.855 -10.985 -18.074 1.00 53.12 C HETATM 0 HG3 PLM A 202 12.740 -10.360 -17.952 1.00 53.12 H new HETATM 0 HG2 PLM A 202 11.490 -11.291 -17.094 1.00 53.12 H new HETATM 0 HG1 PLM A 202 12.112 -11.869 -18.658 1.00 53.12 H new HETATM 0 HF2 PLM A 202 9.888 -10.823 -18.947 1.00 30.40 H new HETATM 0 HF1 PLM A 202 11.119 -9.907 -19.793 1.00 30.40 H new HETATM 0 HE2 PLM A 202 10.235 -8.096 -18.716 1.00 22.43 H new HETATM 0 HE1 PLM A 202 11.162 -8.653 -17.337 1.00 22.43 H new HETATM 0 HD2 PLM A 202 8.561 -10.038 -17.564 1.00 12.51 H new HETATM 0 HD1 PLM A 202 8.375 -8.300 -17.431 1.00 12.51 H new HETATM 0 HC2 PLM A 202 10.275 -8.780 -15.469 1.00 0.42 H new HETATM 0 HC1 PLM A 202 9.341 -10.262 -15.402 1.00 0.42 H new HETATM 0 HB2 PLM A 202 7.388 -9.133 -14.458 1.00 34.24 H new HETATM 0 HB1 PLM A 202 7.563 -7.743 -15.511 1.00 34.24 H new HETATM 0 HA2 PLM A 202 9.008 -6.630 -14.039 1.00 44.42 H new HETATM 0 HA1 PLM A 202 9.796 -8.111 -13.532 1.00 44.42 H new HETATM 0 H92 PLM A 202 8.501 -8.209 -11.672 1.00 51.43 H new HETATM 0 H91 PLM A 202 7.053 -8.259 -12.657 1.00 51.43 H new HETATM 0 H82 PLM A 202 8.109 -5.526 -12.481 1.00 51.45 H new HETATM 0 H81 PLM A 202 7.836 -6.200 -10.887 1.00 51.45 H new HETATM 0 H72 PLM A 202 5.863 -4.949 -12.077 1.00 32.51 H new HETATM 0 H71 PLM A 202 5.519 -6.439 -11.222 1.00 32.51 H new HETATM 0 H62 PLM A 202 5.068 -7.624 -13.161 1.00 64.43 H new HETATM 0 H61 PLM A 202 6.270 -6.763 -14.102 1.00 64.43 H new HETATM 0 H52 PLM A 202 4.680 -5.401 -14.968 1.00 2.30 H new HETATM 0 H51 PLM A 202 4.209 -4.875 -13.364 1.00 2.30 H new HETATM 0 H42 PLM A 202 3.197 -7.578 -13.949 1.00 44.01 H new HETATM 0 H41 PLM A 202 2.665 -6.422 -15.153 1.00 44.01 H new HETATM 0 H32 PLM A 202 1.111 -5.611 -13.734 1.00 32.23 H new HETATM 0 H31 PLM A 202 2.363 -5.156 -12.595 1.00 32.23 H new HETATM 0 H22 PLM A 202 1.171 -6.579 -11.186 1.00 5.04 H new HETATM 0 H21 PLM A 202 2.178 -7.805 -11.931 1.00 5.04 H new HETATM 0 H PLM A 202 -1.521 -7.189 -13.503 1.00 73.20 H new