USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 hydrogens (128 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 NoAdj-H: A 17 MLY H2 : A 17 MLY N : A 16 PRO C :(H bumps) USER MOD NoAdj-H: A 34 MLY H2 : A 34 MLY N : A 33 GLY C :(H bumps) USER MOD NoAdj-H: A 35 MLY H2 : A 35 MLY N : A 34 MLY C :(H bumps) USER MOD NoAdj-H: A 44 MLY H2 : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 44 MLY H : A 44 MLY N : A 43 ASN C :(H bumps) USER MOD NoAdj-H: A 47 MLY H2 : A 47 MLY N : A 46 PHE C :(H bumps) USER MOD NoAdj-H: A 52 MLY H2 : A 52 MLY N : A 51 GLY C :(H bumps) USER MOD NoAdj-H: A 73 MLY H2 : A 73 MLY N : A 72 ALA C :(H bumps) USER MOD NoAdj-H: A 105 MLY H2 : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD NoAdj-H: A 105 MLY H : A 105 MLY N : A 104 LEU C :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot -102:sc= 0.45 USER MOD Set 1.2: A 70 GLN :FLIP amide:sc= -0.794 F(o=-1.3,f=-0.34) USER MOD Set 2.1: A 25 HIS : no HD1:sc= -1.08 X(o=0.55,f=0.6) USER MOD Set 2.2: A 39 SER OG : rot -71:sc= 1.63 USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= -3.5! C(o=-7.4!,f=-6.3!) USER MOD Set 3.2: A 22 CYS SG : rot 82:sc= -2.85 USER MOD Set 4.1: A 21 THR OG1 : rot 180:sc= 0.0384 USER MOD Set 4.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET CE :methyl -167:sc= 0 (180deg=-0.0849) USER MOD Single : A 3 GLN :FLIP amide:sc=-0.00358 F(o=-2.6!,f=-0.0036) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -152:sc= -0.0367 (180deg=-0.468) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 29 MET CE :methyl -171:sc= 0 (180deg=-0.0653) USER MOD Single : A 38 SER OG : rot -150:sc= -0.454 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.075 K(o=0.075,f=-0.72) USER MOD Single : A 66 MET CE :methyl -176:sc= -2.83! (180deg=-2.97!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -72:sc= 1.16 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.009) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 102:sc= 0.126 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -6.619 -17.851 -6.054 1.00 23.20 N ATOM 2 CA GLY A -3 -5.352 -17.927 -6.759 1.00 43.12 C ATOM 3 C GLY A -3 -5.400 -17.256 -8.129 1.00 10.33 C ATOM 4 O GLY A -3 -4.697 -16.262 -8.334 1.00 34.23 O ATOM 0 H1 GLY A -3 -6.447 -17.866 -5.028 1.00 23.20 H new ATOM 0 H2 GLY A -3 -7.107 -16.969 -6.311 1.00 23.20 H new ATOM 0 H3 GLY A -3 -7.212 -18.664 -6.317 1.00 23.20 H new ATOM 0 HA2 GLY A -3 -4.576 -17.456 -6.155 1.00 43.12 H new ATOM 0 HA3 GLY A -3 -5.071 -18.973 -6.881 1.00 43.12 H new ATOM 8 N PRO A -2 -6.220 -17.767 -9.104 1.00 43.42 N ATOM 9 CA PRO A -2 -6.325 -17.177 -10.454 1.00 72.12 C ATOM 10 C PRO A -2 -7.140 -15.882 -10.473 1.00 24.33 C ATOM 11 O PRO A -2 -8.168 -15.778 -9.800 1.00 1.42 O ATOM 12 CB PRO A -2 -7.041 -18.262 -11.282 1.00 65.32 C ATOM 13 CG PRO A -2 -7.118 -19.467 -10.401 1.00 23.11 C ATOM 14 CD PRO A -2 -7.092 -18.955 -8.993 1.00 3.14 C ATOM 0 HA PRO A -2 -5.343 -16.904 -10.840 1.00 72.12 H new ATOM 0 HB2 PRO A -2 -8.036 -17.932 -11.580 1.00 65.32 H new ATOM 0 HB3 PRO A -2 -6.491 -18.482 -12.197 1.00 65.32 H new ATOM 0 HG2 PRO A -2 -8.030 -20.033 -10.593 1.00 23.11 H new ATOM 0 HG3 PRO A -2 -6.281 -20.140 -10.587 1.00 23.11 H new ATOM 0 HD2 PRO A -2 -8.089 -18.695 -8.637 1.00 3.14 H new ATOM 0 HD3 PRO A -2 -6.688 -19.693 -8.300 1.00 3.14 H new ATOM 22 N SER A -1 -6.663 -14.898 -11.264 1.00 54.30 N ATOM 23 CA SER A -1 -7.309 -13.571 -11.417 1.00 74.21 C ATOM 24 C SER A -1 -7.361 -12.802 -10.089 1.00 44.31 C ATOM 25 O SER A -1 -7.980 -13.255 -9.120 1.00 24.24 O ATOM 26 CB SER A -1 -8.724 -13.699 -12.017 1.00 35.31 C ATOM 27 OG SER A -1 -9.250 -12.431 -12.375 1.00 34.24 O ATOM 0 H SER A -1 -5.813 -15.000 -11.819 1.00 54.30 H new ATOM 0 HA SER A -1 -6.691 -13.000 -12.110 1.00 74.21 H new ATOM 0 HB2 SER A -1 -8.691 -14.343 -12.896 1.00 35.31 H new ATOM 0 HB3 SER A -1 -9.385 -14.178 -11.295 1.00 35.31 H new ATOM 0 HG SER A -1 -10.147 -12.544 -12.754 1.00 34.24 H new ATOM 33 N MET A 0 -6.699 -11.641 -10.064 1.00 71.24 N ATOM 34 CA MET A 0 -6.652 -10.788 -8.872 1.00 20.33 C ATOM 35 C MET A 0 -6.928 -9.331 -9.235 1.00 73.21 C ATOM 36 O MET A 0 -6.625 -8.895 -10.350 1.00 22.03 O ATOM 37 CB MET A 0 -5.289 -10.901 -8.178 1.00 31.50 C ATOM 38 CG MET A 0 -5.074 -12.222 -7.453 1.00 40.30 C ATOM 39 SD MET A 0 -3.462 -12.320 -6.651 1.00 23.03 S ATOM 40 CE MET A 0 -3.545 -13.955 -5.925 1.00 60.20 C ATOM 0 H MET A 0 -6.185 -11.268 -10.862 1.00 71.24 H new ATOM 0 HA MET A 0 -7.427 -11.131 -8.186 1.00 20.33 H new ATOM 0 HB2 MET A 0 -4.502 -10.773 -8.921 1.00 31.50 H new ATOM 0 HB3 MET A 0 -5.187 -10.085 -7.463 1.00 31.50 H new ATOM 0 HG2 MET A 0 -5.856 -12.353 -6.705 1.00 40.30 H new ATOM 0 HG3 MET A 0 -5.172 -13.042 -8.164 1.00 40.30 H new ATOM 0 HE1 MET A 0 -2.732 -14.077 -5.209 1.00 60.20 H new ATOM 0 HE2 MET A 0 -4.500 -14.078 -5.414 1.00 60.20 H new ATOM 0 HE3 MET A 0 -3.454 -14.706 -6.709 1.00 60.20 H new ATOM 50 N GLY A 1 -7.501 -8.588 -8.280 1.00 60.01 N ATOM 51 CA GLY A 1 -7.815 -7.180 -8.499 1.00 13.55 C ATOM 52 C GLY A 1 -6.743 -6.242 -7.965 1.00 3.14 C ATOM 53 O GLY A 1 -7.044 -5.107 -7.586 1.00 44.31 O ATOM 0 H GLY A 1 -7.753 -8.940 -7.356 1.00 60.01 H new ATOM 0 HA2 GLY A 1 -7.945 -7.004 -9.567 1.00 13.55 H new ATOM 0 HA3 GLY A 1 -8.766 -6.947 -8.020 1.00 13.55 H new ATOM 57 N VAL A 2 -5.493 -6.719 -7.940 1.00 52.34 N ATOM 58 CA VAL A 2 -4.360 -5.928 -7.456 1.00 33.20 C ATOM 59 C VAL A 2 -3.118 -6.175 -8.333 1.00 63.10 C ATOM 60 O VAL A 2 -2.666 -7.315 -8.476 1.00 55.34 O ATOM 61 CB VAL A 2 -4.077 -6.206 -5.933 1.00 71.54 C ATOM 62 CG1 VAL A 2 -3.695 -7.662 -5.653 1.00 32.31 C ATOM 63 CG2 VAL A 2 -3.019 -5.256 -5.372 1.00 64.22 C ATOM 0 H VAL A 2 -5.241 -7.657 -8.252 1.00 52.34 H new ATOM 0 HA VAL A 2 -4.616 -4.872 -7.538 1.00 33.20 H new ATOM 0 HB VAL A 2 -5.018 -6.017 -5.417 1.00 71.54 H new ATOM 0 HG11 VAL A 2 -3.512 -7.791 -4.586 1.00 32.31 H new ATOM 0 HG12 VAL A 2 -4.508 -8.318 -5.964 1.00 32.31 H new ATOM 0 HG13 VAL A 2 -2.792 -7.915 -6.209 1.00 32.31 H new ATOM 0 HG21 VAL A 2 -2.851 -5.479 -4.318 1.00 64.22 H new ATOM 0 HG22 VAL A 2 -2.087 -5.383 -5.923 1.00 64.22 H new ATOM 0 HG23 VAL A 2 -3.363 -4.227 -5.474 1.00 64.22 H new ATOM 73 N GLN A 3 -2.592 -5.093 -8.917 1.00 54.51 N ATOM 74 CA GLN A 3 -1.413 -5.172 -9.785 1.00 12.04 C ATOM 75 C GLN A 3 -0.271 -4.327 -9.225 1.00 65.23 C ATOM 76 O GLN A 3 -0.413 -3.112 -9.052 1.00 65.11 O ATOM 77 CB GLN A 3 -1.748 -4.711 -11.214 1.00 73.14 C ATOM 78 CG GLN A 3 -2.825 -5.540 -11.905 1.00 31.23 C ATOM 79 CD GLN A 3 -4.197 -4.899 -11.814 1.00 1.13 C ATOM 80 OE1 GLN A 3 -4.905 -5.164 -10.722 1.00 52.13 O flip ATOM 81 NE2 GLN A 3 -4.611 -4.163 -12.710 1.00 15.44 N flip ATOM 0 H GLN A 3 -2.965 -4.151 -8.804 1.00 54.51 H new ATOM 0 HA GLN A 3 -1.098 -6.215 -9.819 1.00 12.04 H new ATOM 0 HB2 GLN A 3 -2.072 -3.671 -11.181 1.00 73.14 H new ATOM 0 HB3 GLN A 3 -0.840 -4.743 -11.816 1.00 73.14 H new ATOM 0 HG2 GLN A 3 -2.559 -5.675 -12.953 1.00 31.23 H new ATOM 0 HG3 GLN A 3 -2.860 -6.532 -11.455 1.00 31.23 H new ATOM 0 HE21 GLN A 3 -4.034 -3.986 -13.532 1.00 15.44 H new ATOM 0 HE22 GLN A 3 -5.531 -3.730 -12.630 1.00 15.44 H new ATOM 90 N VAL A 4 0.857 -4.983 -8.940 1.00 15.11 N ATOM 91 CA VAL A 4 2.037 -4.305 -8.400 1.00 21.25 C ATOM 92 C VAL A 4 3.114 -4.189 -9.484 1.00 0.04 C ATOM 93 O VAL A 4 3.549 -5.196 -10.051 1.00 62.43 O ATOM 94 CB VAL A 4 2.607 -5.033 -7.143 1.00 41.33 C ATOM 95 CG1 VAL A 4 3.699 -4.211 -6.464 1.00 50.31 C ATOM 96 CG2 VAL A 4 1.507 -5.357 -6.140 1.00 13.43 C ATOM 0 H VAL A 4 0.977 -5.987 -9.075 1.00 15.11 H new ATOM 0 HA VAL A 4 1.731 -3.308 -8.084 1.00 21.25 H new ATOM 0 HB VAL A 4 3.045 -5.967 -7.494 1.00 41.33 H new ATOM 0 HG11 VAL A 4 4.072 -4.750 -5.593 1.00 50.31 H new ATOM 0 HG12 VAL A 4 4.517 -4.044 -7.165 1.00 50.31 H new ATOM 0 HG13 VAL A 4 3.289 -3.251 -6.149 1.00 50.31 H new ATOM 0 HG21 VAL A 4 1.939 -5.864 -5.277 1.00 13.43 H new ATOM 0 HG22 VAL A 4 1.027 -4.434 -5.816 1.00 13.43 H new ATOM 0 HG23 VAL A 4 0.767 -6.006 -6.609 1.00 13.43 H new ATOM 106 N GLU A 5 3.527 -2.948 -9.752 1.00 43.11 N ATOM 107 CA GLU A 5 4.543 -2.653 -10.766 1.00 1.02 C ATOM 108 C GLU A 5 5.821 -2.111 -10.128 1.00 74.44 C ATOM 109 O GLU A 5 5.798 -1.072 -9.467 1.00 42.12 O ATOM 110 CB GLU A 5 3.997 -1.658 -11.814 1.00 22.54 C ATOM 111 CG GLU A 5 3.325 -0.412 -11.244 1.00 62.44 C ATOM 112 CD GLU A 5 2.779 0.501 -12.324 1.00 45.30 C ATOM 113 OE1 GLU A 5 3.528 1.388 -12.786 1.00 72.23 O ATOM 114 OE2 GLU A 5 1.604 0.329 -12.709 1.00 20.43 O ATOM 0 H GLU A 5 3.168 -2.121 -9.274 1.00 43.11 H new ATOM 0 HA GLU A 5 4.789 -3.587 -11.271 1.00 1.02 H new ATOM 0 HB2 GLU A 5 4.820 -1.345 -12.456 1.00 22.54 H new ATOM 0 HB3 GLU A 5 3.279 -2.180 -12.447 1.00 22.54 H new ATOM 0 HG2 GLU A 5 2.513 -0.712 -10.582 1.00 62.44 H new ATOM 0 HG3 GLU A 5 4.044 0.139 -10.637 1.00 62.44 H new ATOM 121 N THR A 6 6.938 -2.813 -10.362 1.00 42.11 N ATOM 122 CA THR A 6 8.243 -2.428 -9.809 1.00 74.15 C ATOM 123 C THR A 6 8.848 -1.253 -10.581 1.00 12.12 C ATOM 124 O THR A 6 8.909 -1.268 -11.814 1.00 51.21 O ATOM 125 CB THR A 6 9.231 -3.626 -9.816 1.00 0.24 C ATOM 126 OG1 THR A 6 8.565 -4.810 -9.358 1.00 2.23 O ATOM 127 CG2 THR A 6 10.452 -3.368 -8.929 1.00 50.35 C ATOM 0 H THR A 6 6.963 -3.657 -10.935 1.00 42.11 H new ATOM 0 HA THR A 6 8.076 -2.118 -8.777 1.00 74.15 H new ATOM 0 HB THR A 6 9.576 -3.756 -10.842 1.00 0.24 H new ATOM 0 HG1 THR A 6 9.193 -5.562 -9.366 1.00 2.23 H new ATOM 0 HG21 THR A 6 11.116 -4.232 -8.964 1.00 50.35 H new ATOM 0 HG22 THR A 6 10.983 -2.487 -9.289 1.00 50.35 H new ATOM 0 HG23 THR A 6 10.127 -3.201 -7.902 1.00 50.35 H new ATOM 135 N ILE A 7 9.287 -0.247 -9.826 1.00 11.44 N ATOM 136 CA ILE A 7 9.893 0.957 -10.395 1.00 72.43 C ATOM 137 C ILE A 7 11.369 1.041 -9.999 1.00 45.55 C ATOM 138 O ILE A 7 12.218 1.401 -10.819 1.00 31.04 O ATOM 139 CB ILE A 7 9.158 2.256 -9.948 1.00 21.20 C ATOM 140 CG1 ILE A 7 7.648 1.993 -9.784 1.00 42.50 C ATOM 141 CG2 ILE A 7 9.405 3.381 -10.962 1.00 0.24 C ATOM 142 CD1 ILE A 7 6.913 3.010 -8.926 1.00 14.43 C ATOM 0 H ILE A 7 9.233 -0.243 -8.807 1.00 11.44 H new ATOM 0 HA ILE A 7 9.802 0.881 -11.479 1.00 72.43 H new ATOM 0 HB ILE A 7 9.556 2.567 -8.982 1.00 21.20 H new ATOM 0 HG12 ILE A 7 7.188 1.972 -10.772 1.00 42.50 H new ATOM 0 HG13 ILE A 7 7.511 1.004 -9.347 1.00 42.50 H new ATOM 0 HG21 ILE A 7 8.886 4.283 -10.638 1.00 0.24 H new ATOM 0 HG22 ILE A 7 10.474 3.582 -11.029 1.00 0.24 H new ATOM 0 HG23 ILE A 7 9.030 3.078 -11.940 1.00 0.24 H new ATOM 0 HD11 ILE A 7 5.858 2.743 -8.868 1.00 14.43 H new ATOM 0 HD12 ILE A 7 7.341 3.017 -7.924 1.00 14.43 H new ATOM 0 HD13 ILE A 7 7.012 4.000 -9.370 1.00 14.43 H new ATOM 154 N SER A 8 11.655 0.705 -8.735 1.00 5.12 N ATOM 155 CA SER A 8 13.016 0.731 -8.211 1.00 32.42 C ATOM 156 C SER A 8 13.346 -0.593 -7.513 1.00 21.20 C ATOM 157 O SER A 8 12.693 -0.947 -6.527 1.00 31.34 O ATOM 158 CB SER A 8 13.189 1.896 -7.236 1.00 74.32 C ATOM 159 OG SER A 8 14.560 2.156 -6.985 1.00 64.33 O ATOM 0 H SER A 8 10.953 0.411 -8.056 1.00 5.12 H new ATOM 0 HA SER A 8 13.704 0.867 -9.046 1.00 32.42 H new ATOM 0 HB2 SER A 8 12.716 2.789 -7.645 1.00 74.32 H new ATOM 0 HB3 SER A 8 12.682 1.667 -6.299 1.00 74.32 H new ATOM 0 HG SER A 8 14.642 2.906 -6.360 1.00 64.33 H new ATOM 165 N PRO A 9 14.365 -1.352 -8.013 1.00 51.01 N ATOM 166 CA PRO A 9 14.759 -2.645 -7.419 1.00 23.32 C ATOM 167 C PRO A 9 15.471 -2.504 -6.064 1.00 51.21 C ATOM 168 O PRO A 9 16.443 -1.751 -5.939 1.00 32.12 O ATOM 169 CB PRO A 9 15.699 -3.242 -8.473 1.00 21.35 C ATOM 170 CG PRO A 9 16.269 -2.070 -9.193 1.00 44.13 C ATOM 171 CD PRO A 9 15.195 -1.024 -9.203 1.00 61.42 C ATOM 0 HA PRO A 9 13.891 -3.265 -7.196 1.00 23.32 H new ATOM 0 HB2 PRO A 9 16.484 -3.839 -8.008 1.00 21.35 H new ATOM 0 HB3 PRO A 9 15.160 -3.899 -9.155 1.00 21.35 H new ATOM 0 HG2 PRO A 9 17.165 -1.703 -8.692 1.00 44.13 H new ATOM 0 HG3 PRO A 9 16.559 -2.340 -10.208 1.00 44.13 H new ATOM 0 HD2 PRO A 9 15.614 -0.020 -9.133 1.00 61.42 H new ATOM 0 HD3 PRO A 9 14.609 -1.062 -10.121 1.00 61.42 H new ATOM 179 N GLY A 10 14.964 -3.233 -5.061 1.00 11.52 N ATOM 180 CA GLY A 10 15.545 -3.201 -3.727 1.00 4.35 C ATOM 181 C GLY A 10 16.483 -4.368 -3.492 1.00 44.33 C ATOM 182 O GLY A 10 17.459 -4.535 -4.230 1.00 23.33 O ATOM 0 H GLY A 10 14.155 -3.848 -5.155 1.00 11.52 H new ATOM 0 HA2 GLY A 10 16.087 -2.266 -3.589 1.00 4.35 H new ATOM 0 HA3 GLY A 10 14.748 -3.220 -2.983 1.00 4.35 H new ATOM 186 N ASP A 11 16.188 -5.177 -2.463 1.00 12.02 N ATOM 187 CA ASP A 11 16.998 -6.358 -2.144 1.00 21.40 C ATOM 188 C ASP A 11 16.648 -7.526 -3.075 1.00 61.45 C ATOM 189 O ASP A 11 17.542 -8.196 -3.601 1.00 53.40 O ATOM 190 CB ASP A 11 16.801 -6.767 -0.680 1.00 15.33 C ATOM 191 CG ASP A 11 17.540 -5.857 0.282 1.00 54.04 C ATOM 192 OD1 ASP A 11 18.789 -5.859 0.261 1.00 2.54 O ATOM 193 OD2 ASP A 11 16.871 -5.145 1.060 1.00 3.25 O ATOM 0 H ASP A 11 15.394 -5.033 -1.839 1.00 12.02 H new ATOM 0 HA ASP A 11 18.046 -6.100 -2.295 1.00 21.40 H new ATOM 0 HB2 ASP A 11 15.737 -6.754 -0.443 1.00 15.33 H new ATOM 0 HB3 ASP A 11 17.146 -7.792 -0.543 1.00 15.33 H new ATOM 198 N GLY A 12 15.338 -7.756 -3.267 1.00 11.03 N ATOM 199 CA GLY A 12 14.861 -8.825 -4.146 1.00 21.20 C ATOM 200 C GLY A 12 14.843 -10.196 -3.486 1.00 63.51 C ATOM 201 O GLY A 12 14.432 -11.180 -4.107 1.00 45.41 O ATOM 0 H GLY A 12 14.596 -7.214 -2.824 1.00 11.03 H new ATOM 0 HA2 GLY A 12 13.854 -8.582 -4.486 1.00 21.20 H new ATOM 0 HA3 GLY A 12 15.495 -8.866 -5.031 1.00 21.20 H new ATOM 205 N ARG A 13 15.289 -10.252 -2.227 1.00 44.41 N ATOM 206 CA ARG A 13 15.343 -11.503 -1.462 1.00 43.15 C ATOM 207 C ARG A 13 14.878 -11.301 -0.010 1.00 71.41 C ATOM 208 O ARG A 13 14.918 -12.238 0.797 1.00 75.24 O ATOM 209 CB ARG A 13 16.771 -12.103 -1.502 1.00 13.14 C ATOM 210 CG ARG A 13 17.892 -11.133 -1.117 1.00 22.33 C ATOM 211 CD ARG A 13 19.263 -11.719 -1.416 1.00 60.10 C ATOM 212 NE ARG A 13 20.345 -10.799 -1.049 1.00 42.52 N ATOM 213 CZ ARG A 13 21.650 -11.042 -1.239 1.00 33.40 C ATOM 214 NH1 ARG A 13 22.067 -12.178 -1.795 1.00 20.42 N ATOM 215 NH2 ARG A 13 22.545 -10.136 -0.868 1.00 61.14 N ATOM 0 H ARG A 13 15.621 -9.437 -1.711 1.00 44.41 H new ATOM 0 HA ARG A 13 14.656 -12.207 -1.931 1.00 43.15 H new ATOM 0 HB2 ARG A 13 16.807 -12.961 -0.831 1.00 13.14 H new ATOM 0 HB3 ARG A 13 16.964 -12.477 -2.508 1.00 13.14 H new ATOM 0 HG2 ARG A 13 17.768 -10.197 -1.662 1.00 22.33 H new ATOM 0 HG3 ARG A 13 17.820 -10.895 -0.056 1.00 22.33 H new ATOM 0 HD2 ARG A 13 19.383 -12.656 -0.872 1.00 60.10 H new ATOM 0 HD3 ARG A 13 19.333 -11.956 -2.478 1.00 60.10 H new ATOM 0 HE ARG A 13 20.086 -9.911 -0.619 1.00 42.52 H new ATOM 0 HH11 ARG A 13 21.389 -12.883 -2.085 1.00 20.42 H new ATOM 0 HH12 ARG A 13 23.064 -12.343 -1.931 1.00 20.42 H new ATOM 0 HH21 ARG A 13 22.239 -9.262 -0.441 1.00 61.14 H new ATOM 0 HH22 ARG A 13 23.539 -10.314 -1.009 1.00 61.14 H new ATOM 229 N THR A 14 14.424 -10.081 0.309 1.00 42.14 N ATOM 230 CA THR A 14 13.964 -9.758 1.647 1.00 3.41 C ATOM 231 C THR A 14 12.575 -9.125 1.574 1.00 32.20 C ATOM 232 O THR A 14 12.437 -7.917 1.384 1.00 15.22 O ATOM 233 CB THR A 14 14.960 -8.808 2.363 1.00 43.13 C ATOM 234 OG1 THR A 14 16.304 -9.260 2.155 1.00 71.40 O ATOM 235 CG2 THR A 14 14.687 -8.729 3.862 1.00 52.24 C ATOM 0 H THR A 14 14.369 -9.306 -0.351 1.00 42.14 H new ATOM 0 HA THR A 14 13.907 -10.678 2.229 1.00 3.41 H new ATOM 0 HB THR A 14 14.827 -7.814 1.936 1.00 43.13 H new ATOM 0 HG1 THR A 14 16.927 -8.654 2.609 1.00 71.40 H new ATOM 0 HG21 THR A 14 15.405 -8.054 4.328 1.00 52.24 H new ATOM 0 HG22 THR A 14 13.677 -8.355 4.029 1.00 52.24 H new ATOM 0 HG23 THR A 14 14.784 -9.721 4.302 1.00 52.24 H new ATOM 243 N PHE A 15 11.553 -9.964 1.698 1.00 33.20 N ATOM 244 CA PHE A 15 10.166 -9.508 1.660 1.00 11.33 C ATOM 245 C PHE A 15 9.643 -9.318 3.086 1.00 41.44 C ATOM 246 O PHE A 15 10.115 -9.998 4.004 1.00 72.11 O ATOM 247 CB PHE A 15 9.294 -10.509 0.888 1.00 23.11 C ATOM 248 CG PHE A 15 9.645 -10.633 -0.579 1.00 12.42 C ATOM 249 CD1 PHE A 15 8.799 -10.121 -1.551 1.00 65.13 C ATOM 250 CD2 PHE A 15 10.820 -11.257 -0.985 1.00 33.25 C ATOM 251 CE1 PHE A 15 9.116 -10.225 -2.893 1.00 21.24 C ATOM 252 CE2 PHE A 15 11.141 -11.363 -2.324 1.00 12.41 C ATOM 253 CZ PHE A 15 10.288 -10.846 -3.279 1.00 50.43 C ATOM 0 H PHE A 15 11.659 -10.970 1.827 1.00 33.20 H new ATOM 0 HA PHE A 15 10.120 -8.550 1.141 1.00 11.33 H new ATOM 0 HB2 PHE A 15 9.384 -11.489 1.356 1.00 23.11 H new ATOM 0 HB3 PHE A 15 8.250 -10.208 0.976 1.00 23.11 H new ATOM 0 HD1 PHE A 15 7.881 -9.635 -1.256 1.00 65.13 H new ATOM 0 HD2 PHE A 15 11.491 -11.664 -0.243 1.00 33.25 H new ATOM 0 HE1 PHE A 15 8.448 -9.821 -3.639 1.00 21.24 H new ATOM 0 HE2 PHE A 15 12.058 -11.849 -2.624 1.00 12.41 H new ATOM 0 HZ PHE A 15 10.537 -10.927 -4.327 1.00 50.43 H new ATOM 263 N PRO A 16 8.660 -8.397 3.310 1.00 13.34 N ATOM 264 CA PRO A 16 8.114 -8.138 4.657 1.00 31.25 C ATOM 265 C PRO A 16 7.458 -9.385 5.255 1.00 31.31 C ATOM 266 O PRO A 16 6.663 -10.054 4.586 1.00 15.10 O ATOM 267 CB PRO A 16 7.079 -7.024 4.433 1.00 64.23 C ATOM 268 CG PRO A 16 6.767 -7.050 2.974 1.00 2.14 C ATOM 269 CD PRO A 16 8.003 -7.556 2.283 1.00 35.24 C ATOM 0 HA PRO A 16 8.892 -7.856 5.366 1.00 31.25 H new ATOM 0 HB2 PRO A 16 6.182 -7.197 5.028 1.00 64.23 H new ATOM 0 HB3 PRO A 16 7.477 -6.054 4.731 1.00 64.23 H new ATOM 0 HG2 PRO A 16 5.915 -7.699 2.771 1.00 2.14 H new ATOM 0 HG3 PRO A 16 6.502 -6.055 2.616 1.00 2.14 H new ATOM 0 HD2 PRO A 16 7.756 -8.133 1.392 1.00 35.24 H new ATOM 0 HD3 PRO A 16 8.647 -6.737 1.964 1.00 35.24 H new HETATM 277 N MLY A 17 7.799 -9.686 6.510 1.00 65.54 N HETATM 278 CA MLY A 17 7.275 -10.880 7.187 1.00 1.40 C HETATM 279 CB MLY A 17 8.295 -11.405 8.203 1.00 3.13 C HETATM 280 CG MLY A 17 9.636 -11.789 7.588 1.00 4.51 C HETATM 281 CD MLY A 17 10.574 -12.400 8.619 1.00 62.24 C HETATM 282 CE MLY A 17 11.680 -11.430 9.013 1.00 72.30 C HETATM 283 NZ MLY A 17 12.585 -12.070 9.982 1.00 51.13 N HETATM 284 CH1 MLY A 17 12.592 -11.299 11.236 1.00 21.43 C HETATM 285 CH2 MLY A 17 13.948 -12.114 9.430 1.00 4.23 C HETATM 286 C MLY A 17 5.932 -10.616 7.871 1.00 62.13 C HETATM 287 O MLY A 17 5.603 -9.474 8.205 1.00 41.31 O HETATM 0 HH23 MLY A 17 13.947 -12.687 8.503 1.00 4.23 H new HETATM 0 HH22 MLY A 17 14.292 -11.099 9.229 1.00 4.23 H new HETATM 0 HH21 MLY A 17 14.616 -12.588 10.149 1.00 4.23 H new HETATM 0 HH13 MLY A 17 12.935 -10.284 11.037 1.00 21.43 H new HETATM 0 HH12 MLY A 17 11.584 -11.267 11.649 1.00 21.43 H new HETATM 0 HH11 MLY A 17 13.263 -11.775 11.952 1.00 21.43 H new HETATM 0 HG3 MLY A 17 9.474 -12.499 6.777 1.00 4.51 H new HETATM 0 HG2 MLY A 17 10.102 -10.906 7.150 1.00 4.51 H new HETATM 0 HE3 MLY A 17 12.238 -11.123 8.129 1.00 72.30 H new HETATM 0 HE2 MLY A 17 11.248 -10.528 9.446 1.00 72.30 H new HETATM 0 HD3 MLY A 17 10.006 -12.685 9.505 1.00 62.24 H new HETATM 0 HD2 MLY A 17 11.015 -13.312 8.216 1.00 62.24 H new HETATM 0 HB3 MLY A 17 8.460 -10.643 8.965 1.00 3.13 H new HETATM 0 HB2 MLY A 17 7.875 -12.275 8.708 1.00 3.13 H new HETATM 0 HA MLY A 17 7.105 -11.637 6.422 1.00 1.40 H new HETATM 0 H MLY A 17 8.724 -9.329 6.749 1.00 65.54 H new ATOM 304 N ARG A 18 5.162 -11.699 8.056 1.00 75.42 N ATOM 305 CA ARG A 18 3.841 -11.652 8.689 1.00 34.53 C ATOM 306 C ARG A 18 3.959 -11.545 10.216 1.00 50.25 C ATOM 307 O ARG A 18 4.743 -12.272 10.834 1.00 2.04 O ATOM 308 CB ARG A 18 3.059 -12.914 8.298 1.00 61.11 C ATOM 309 CG ARG A 18 1.550 -12.823 8.507 1.00 12.50 C ATOM 310 CD ARG A 18 0.851 -14.108 8.087 1.00 23.10 C ATOM 311 NE ARG A 18 1.017 -15.180 9.077 1.00 72.31 N ATOM 312 CZ ARG A 18 0.438 -16.387 9.000 1.00 24.01 C ATOM 313 NH1 ARG A 18 -0.359 -16.705 7.981 1.00 2.12 N ATOM 314 NH2 ARG A 18 0.659 -17.281 9.953 1.00 35.44 N ATOM 0 H ARG A 18 5.443 -12.636 7.768 1.00 75.42 H new ATOM 0 HA ARG A 18 3.311 -10.765 8.341 1.00 34.53 H new ATOM 0 HB2 ARG A 18 3.254 -13.134 7.248 1.00 61.11 H new ATOM 0 HB3 ARG A 18 3.442 -13.755 8.876 1.00 61.11 H new ATOM 0 HG2 ARG A 18 1.339 -12.619 9.557 1.00 12.50 H new ATOM 0 HG3 ARG A 18 1.152 -11.986 7.933 1.00 12.50 H new ATOM 0 HD2 ARG A 18 -0.211 -13.911 7.942 1.00 23.10 H new ATOM 0 HD3 ARG A 18 1.248 -14.438 7.127 1.00 23.10 H new ATOM 0 HE ARG A 18 1.616 -14.993 9.881 1.00 72.31 H new ATOM 0 HH11 ARG A 18 -0.538 -16.025 7.242 1.00 2.12 H new ATOM 0 HH12 ARG A 18 -0.790 -17.628 7.940 1.00 2.12 H new ATOM 0 HH21 ARG A 18 1.266 -17.049 10.739 1.00 35.44 H new ATOM 0 HH22 ARG A 18 0.222 -18.201 9.901 1.00 35.44 H new ATOM 328 N GLY A 19 3.175 -10.634 10.805 1.00 24.02 N ATOM 329 CA GLY A 19 3.191 -10.446 12.249 1.00 64.12 C ATOM 330 C GLY A 19 4.039 -9.265 12.690 1.00 64.12 C ATOM 331 O GLY A 19 3.848 -8.743 13.793 1.00 0.22 O ATOM 0 H GLY A 19 2.529 -10.024 10.304 1.00 24.02 H new ATOM 0 HA2 GLY A 19 2.170 -10.303 12.602 1.00 64.12 H new ATOM 0 HA3 GLY A 19 3.568 -11.352 12.723 1.00 64.12 H new ATOM 335 N GLN A 20 4.973 -8.846 11.829 1.00 1.30 N ATOM 336 CA GLN A 20 5.861 -7.719 12.128 1.00 31.02 C ATOM 337 C GLN A 20 5.383 -6.451 11.425 1.00 45.43 C ATOM 338 O GLN A 20 4.636 -6.519 10.443 1.00 32.11 O ATOM 339 CB GLN A 20 7.329 -8.026 11.747 1.00 72.14 C ATOM 340 CG GLN A 20 7.516 -8.860 10.478 1.00 0.44 C ATOM 341 CD GLN A 20 8.513 -8.250 9.514 1.00 23.22 C ATOM 342 OE1 GLN A 20 8.010 -7.475 8.560 1.00 53.30 O flip ATOM 343 NE2 GLN A 20 9.717 -8.482 9.617 1.00 33.54 N flip ATOM 0 H GLN A 20 5.133 -9.273 10.917 1.00 1.30 H new ATOM 0 HA GLN A 20 5.826 -7.557 13.205 1.00 31.02 H new ATOM 0 HB2 GLN A 20 7.860 -7.082 11.623 1.00 72.14 H new ATOM 0 HB3 GLN A 20 7.801 -8.550 12.579 1.00 72.14 H new ATOM 0 HG2 GLN A 20 7.849 -9.861 10.753 1.00 0.44 H new ATOM 0 HG3 GLN A 20 6.554 -8.971 9.977 1.00 0.44 H new ATOM 0 HE21 GLN A 20 10.058 -9.084 10.367 1.00 33.54 H new ATOM 0 HE22 GLN A 20 10.374 -8.072 8.953 1.00 33.54 H new ATOM 352 N THR A 21 5.825 -5.295 11.938 1.00 41.53 N ATOM 353 CA THR A 21 5.452 -3.992 11.378 1.00 5.30 C ATOM 354 C THR A 21 6.258 -3.681 10.118 1.00 73.13 C ATOM 355 O THR A 21 7.473 -3.883 10.085 1.00 42.40 O ATOM 356 CB THR A 21 5.662 -2.845 12.392 1.00 62.42 C ATOM 357 OG1 THR A 21 5.905 -3.365 13.707 1.00 0.54 O ATOM 358 CG2 THR A 21 4.446 -1.931 12.428 1.00 71.14 C ATOM 0 H THR A 21 6.446 -5.238 12.746 1.00 41.53 H new ATOM 0 HA THR A 21 4.392 -4.058 11.132 1.00 5.30 H new ATOM 0 HB THR A 21 6.532 -2.273 12.069 1.00 62.42 H new ATOM 0 HG1 THR A 21 6.037 -2.623 14.333 1.00 0.54 H new ATOM 0 HG21 THR A 21 4.614 -1.130 13.148 1.00 71.14 H new ATOM 0 HG22 THR A 21 4.284 -1.502 11.439 1.00 71.14 H new ATOM 0 HG23 THR A 21 3.568 -2.505 12.723 1.00 71.14 H new ATOM 366 N CYS A 22 5.566 -3.197 9.088 1.00 42.51 N ATOM 367 CA CYS A 22 6.195 -2.853 7.821 1.00 32.11 C ATOM 368 C CYS A 22 6.178 -1.342 7.616 1.00 1.42 C ATOM 369 O CYS A 22 5.118 -0.740 7.404 1.00 21.41 O ATOM 370 CB CYS A 22 5.486 -3.563 6.664 1.00 52.32 C ATOM 371 SG CYS A 22 5.456 -5.364 6.817 1.00 70.12 S ATOM 0 H CYS A 22 4.559 -3.034 9.111 1.00 42.51 H new ATOM 0 HA CYS A 22 7.233 -3.186 7.843 1.00 32.11 H new ATOM 0 HB2 CYS A 22 4.461 -3.197 6.599 1.00 52.32 H new ATOM 0 HB3 CYS A 22 5.980 -3.296 5.730 1.00 52.32 H new ATOM 0 HG CYS A 22 4.484 -5.716 7.605 1.00 70.12 H new ATOM 377 N VAL A 23 7.366 -0.738 7.701 1.00 22.12 N ATOM 378 CA VAL A 23 7.526 0.711 7.527 1.00 41.54 C ATOM 379 C VAL A 23 7.650 1.044 6.039 1.00 42.33 C ATOM 380 O VAL A 23 8.661 0.726 5.403 1.00 53.12 O ATOM 381 CB VAL A 23 8.767 1.262 8.291 1.00 23.33 C ATOM 382 CG1 VAL A 23 8.755 2.787 8.339 1.00 63.04 C ATOM 383 CG2 VAL A 23 8.866 0.671 9.695 1.00 4.23 C ATOM 0 H VAL A 23 8.238 -1.233 7.891 1.00 22.12 H new ATOM 0 HA VAL A 23 6.641 1.190 7.946 1.00 41.54 H new ATOM 0 HB VAL A 23 9.654 0.952 7.738 1.00 23.33 H new ATOM 0 HG11 VAL A 23 9.633 3.141 8.879 1.00 63.04 H new ATOM 0 HG12 VAL A 23 8.769 3.183 7.324 1.00 63.04 H new ATOM 0 HG13 VAL A 23 7.854 3.128 8.849 1.00 63.04 H new ATOM 0 HG21 VAL A 23 9.743 1.077 10.200 1.00 4.23 H new ATOM 0 HG22 VAL A 23 7.971 0.927 10.261 1.00 4.23 H new ATOM 0 HG23 VAL A 23 8.956 -0.413 9.628 1.00 4.23 H new ATOM 393 N VAL A 24 6.606 1.674 5.494 1.00 14.00 N ATOM 394 CA VAL A 24 6.579 2.044 4.077 1.00 22.54 C ATOM 395 C VAL A 24 5.826 3.358 3.860 1.00 24.45 C ATOM 396 O VAL A 24 4.905 3.689 4.612 1.00 4.04 O ATOM 397 CB VAL A 24 5.951 0.931 3.166 1.00 30.52 C ATOM 398 CG1 VAL A 24 6.801 -0.332 3.166 1.00 13.53 C ATOM 399 CG2 VAL A 24 4.527 0.574 3.576 1.00 42.42 C ATOM 0 H VAL A 24 5.768 1.938 6.013 1.00 14.00 H new ATOM 0 HA VAL A 24 7.622 2.167 3.785 1.00 22.54 H new ATOM 0 HB VAL A 24 5.922 1.351 2.160 1.00 30.52 H new ATOM 0 HG11 VAL A 24 6.338 -1.082 2.525 1.00 13.53 H new ATOM 0 HG12 VAL A 24 7.798 -0.100 2.791 1.00 13.53 H new ATOM 0 HG13 VAL A 24 6.877 -0.719 4.182 1.00 13.53 H new ATOM 0 HG21 VAL A 24 4.141 -0.200 2.913 1.00 42.42 H new ATOM 0 HG22 VAL A 24 4.525 0.207 4.602 1.00 42.42 H new ATOM 0 HG23 VAL A 24 3.895 1.460 3.506 1.00 42.42 H new ATOM 409 N HIS A 25 6.236 4.087 2.825 1.00 54.10 N ATOM 410 CA HIS A 25 5.609 5.353 2.456 1.00 74.10 C ATOM 411 C HIS A 25 4.671 5.119 1.273 1.00 33.22 C ATOM 412 O HIS A 25 5.091 4.585 0.241 1.00 41.11 O ATOM 413 CB HIS A 25 6.692 6.372 2.099 1.00 2.24 C ATOM 414 CG HIS A 25 7.087 7.274 3.228 1.00 65.32 C ATOM 415 ND1 HIS A 25 6.242 8.186 3.816 1.00 75.02 N ATOM 416 CD2 HIS A 25 8.277 7.397 3.873 1.00 75.31 C ATOM 417 CE1 HIS A 25 6.928 8.820 4.776 1.00 31.32 C ATOM 418 NE2 HIS A 25 8.167 8.378 4.851 1.00 4.31 N ATOM 0 H HIS A 25 7.011 3.817 2.219 1.00 54.10 H new ATOM 0 HA HIS A 25 5.029 5.745 3.292 1.00 74.10 H new ATOM 0 HB2 HIS A 25 7.576 5.838 1.750 1.00 2.24 H new ATOM 0 HB3 HIS A 25 6.340 6.983 1.268 1.00 2.24 H new ATOM 0 HD2 HIS A 25 9.167 6.823 3.659 1.00 75.31 H new ATOM 0 HE1 HIS A 25 6.518 9.594 5.408 1.00 31.32 H new ATOM 0 HE2 HIS A 25 8.895 8.691 5.494 1.00 4.31 H new ATOM 426 N TYR A 26 3.404 5.516 1.429 1.00 62.35 N ATOM 427 CA TYR A 26 2.402 5.318 0.381 1.00 21.44 C ATOM 428 C TYR A 26 1.855 6.636 -0.176 1.00 74.34 C ATOM 429 O TYR A 26 2.055 7.706 0.405 1.00 64.11 O ATOM 430 CB TYR A 26 1.258 4.427 0.909 1.00 4.12 C ATOM 431 CG TYR A 26 0.348 5.069 1.940 1.00 41.22 C ATOM 432 CD1 TYR A 26 0.614 4.973 3.298 1.00 24.15 C ATOM 433 CD2 TYR A 26 -0.785 5.761 1.539 1.00 5.22 C ATOM 434 CE1 TYR A 26 -0.230 5.553 4.229 1.00 73.10 C ATOM 435 CE2 TYR A 26 -1.627 6.344 2.458 1.00 12.01 C ATOM 436 CZ TYR A 26 -1.348 6.238 3.803 1.00 12.10 C ATOM 437 OH TYR A 26 -2.190 6.817 4.725 1.00 1.22 O ATOM 0 H TYR A 26 3.050 5.975 2.269 1.00 62.35 H new ATOM 0 HA TYR A 26 2.897 4.817 -0.451 1.00 21.44 H new ATOM 0 HB2 TYR A 26 0.650 4.108 0.062 1.00 4.12 H new ATOM 0 HB3 TYR A 26 1.694 3.528 1.345 1.00 4.12 H new ATOM 0 HD1 TYR A 26 1.491 4.439 3.633 1.00 24.15 H new ATOM 0 HD2 TYR A 26 -1.011 5.844 0.486 1.00 5.22 H new ATOM 0 HE1 TYR A 26 -0.014 5.469 5.284 1.00 73.10 H new ATOM 0 HE2 TYR A 26 -2.503 6.882 2.126 1.00 12.01 H new ATOM 0 HH TYR A 26 -2.929 7.262 4.259 1.00 1.22 H new ATOM 447 N THR A 27 1.161 6.521 -1.317 1.00 54.44 N ATOM 448 CA THR A 27 0.540 7.655 -1.994 1.00 13.54 C ATOM 449 C THR A 27 -0.724 7.183 -2.723 1.00 42.43 C ATOM 450 O THR A 27 -0.642 6.429 -3.700 1.00 34.01 O ATOM 451 CB THR A 27 1.512 8.327 -3.004 1.00 41.24 C ATOM 452 OG1 THR A 27 2.841 8.360 -2.466 1.00 5.33 O ATOM 453 CG2 THR A 27 1.076 9.749 -3.334 1.00 10.41 C ATOM 0 H THR A 27 1.017 5.631 -1.794 1.00 54.44 H new ATOM 0 HA THR A 27 0.282 8.399 -1.240 1.00 13.54 H new ATOM 0 HB THR A 27 1.495 7.734 -3.918 1.00 41.24 H new ATOM 0 HG1 THR A 27 3.445 8.784 -3.111 1.00 5.33 H new ATOM 0 HG21 THR A 27 1.777 10.189 -4.043 1.00 10.41 H new ATOM 0 HG22 THR A 27 0.079 9.731 -3.774 1.00 10.41 H new ATOM 0 HG23 THR A 27 1.059 10.345 -2.422 1.00 10.41 H new ATOM 461 N GLY A 28 -1.886 7.626 -2.230 1.00 62.24 N ATOM 462 CA GLY A 28 -3.159 7.240 -2.832 1.00 22.33 C ATOM 463 C GLY A 28 -3.684 8.273 -3.815 1.00 23.41 C ATOM 464 O GLY A 28 -3.932 9.423 -3.444 1.00 74.50 O ATOM 0 H GLY A 28 -1.968 8.246 -1.424 1.00 62.24 H new ATOM 0 HA2 GLY A 28 -3.038 6.286 -3.345 1.00 22.33 H new ATOM 0 HA3 GLY A 28 -3.897 7.087 -2.044 1.00 22.33 H new ATOM 468 N MET A 29 -3.857 7.843 -5.068 1.00 72.23 N ATOM 469 CA MET A 29 -4.344 8.707 -6.148 1.00 35.31 C ATOM 470 C MET A 29 -5.506 8.060 -6.881 1.00 35.15 C ATOM 471 O MET A 29 -5.438 6.884 -7.252 1.00 40.34 O ATOM 472 CB MET A 29 -3.210 9.003 -7.136 1.00 63.22 C ATOM 473 CG MET A 29 -2.154 9.960 -6.607 1.00 23.45 C ATOM 474 SD MET A 29 -0.619 9.911 -7.561 1.00 60.11 S ATOM 475 CE MET A 29 0.123 8.381 -6.982 1.00 24.43 C ATOM 0 H MET A 29 -3.663 6.886 -5.363 1.00 72.23 H new ATOM 0 HA MET A 29 -4.692 9.640 -5.705 1.00 35.31 H new ATOM 0 HB2 MET A 29 -2.728 8.064 -7.410 1.00 63.22 H new ATOM 0 HB3 MET A 29 -3.638 9.420 -8.048 1.00 63.22 H new ATOM 0 HG2 MET A 29 -2.552 10.975 -6.620 1.00 23.45 H new ATOM 0 HG3 MET A 29 -1.938 9.715 -5.567 1.00 23.45 H new ATOM 0 HE1 MET A 29 1.141 8.304 -7.363 1.00 24.43 H new ATOM 0 HE2 MET A 29 0.142 8.375 -5.892 1.00 24.43 H new ATOM 0 HE3 MET A 29 -0.463 7.534 -7.339 1.00 24.43 H new ATOM 485 N LEU A 30 -6.579 8.844 -7.083 1.00 40.05 N ATOM 486 CA LEU A 30 -7.781 8.381 -7.797 1.00 32.04 C ATOM 487 C LEU A 30 -7.458 7.891 -9.218 1.00 0.41 C ATOM 488 O LEU A 30 -6.336 8.074 -9.703 1.00 4.33 O ATOM 489 CB LEU A 30 -8.814 9.519 -7.870 1.00 20.24 C ATOM 490 CG LEU A 30 -9.778 9.622 -6.683 1.00 42.34 C ATOM 491 CD1 LEU A 30 -10.404 11.006 -6.626 1.00 34.14 C ATOM 492 CD2 LEU A 30 -10.865 8.557 -6.773 1.00 0.13 C ATOM 0 H LEU A 30 -6.638 9.809 -6.759 1.00 40.05 H new ATOM 0 HA LEU A 30 -8.188 7.538 -7.239 1.00 32.04 H new ATOM 0 HB2 LEU A 30 -8.279 10.464 -7.963 1.00 20.24 H new ATOM 0 HB3 LEU A 30 -9.400 9.394 -8.780 1.00 20.24 H new ATOM 0 HG LEU A 30 -9.208 9.456 -5.769 1.00 42.34 H new ATOM 0 HD11 LEU A 30 -11.086 11.062 -5.777 1.00 34.14 H new ATOM 0 HD12 LEU A 30 -9.621 11.755 -6.512 1.00 34.14 H new ATOM 0 HD13 LEU A 30 -10.955 11.194 -7.547 1.00 34.14 H new ATOM 0 HD21 LEU A 30 -11.537 8.650 -5.920 1.00 0.13 H new ATOM 0 HD22 LEU A 30 -11.430 8.690 -7.696 1.00 0.13 H new ATOM 0 HD23 LEU A 30 -10.407 7.568 -6.768 1.00 0.13 H new ATOM 504 N GLU A 31 -8.456 7.271 -9.879 1.00 10.33 N ATOM 505 CA GLU A 31 -8.314 6.756 -11.248 1.00 40.43 C ATOM 506 C GLU A 31 -7.857 7.844 -12.232 1.00 13.34 C ATOM 507 O GLU A 31 -7.231 7.544 -13.254 1.00 3.22 O ATOM 508 CB GLU A 31 -9.647 6.168 -11.709 1.00 23.24 C ATOM 509 CG GLU A 31 -9.491 4.924 -12.556 1.00 62.31 C ATOM 510 CD GLU A 31 -10.820 4.328 -12.977 1.00 4.43 C ATOM 511 OE1 GLU A 31 -11.332 4.717 -14.048 1.00 71.15 O ATOM 512 OE2 GLU A 31 -11.349 3.473 -12.236 1.00 72.00 O ATOM 0 H GLU A 31 -9.380 7.115 -9.476 1.00 10.33 H new ATOM 0 HA GLU A 31 -7.545 5.984 -11.236 1.00 40.43 H new ATOM 0 HB2 GLU A 31 -10.253 5.930 -10.835 1.00 23.24 H new ATOM 0 HB3 GLU A 31 -10.191 6.921 -12.279 1.00 23.24 H new ATOM 0 HG2 GLU A 31 -8.909 5.166 -13.445 1.00 62.31 H new ATOM 0 HG3 GLU A 31 -8.925 4.179 -11.998 1.00 62.31 H new ATOM 519 N ASP A 32 -8.181 9.098 -11.903 1.00 34.23 N ATOM 520 CA ASP A 32 -7.807 10.249 -12.720 1.00 2.24 C ATOM 521 C ASP A 32 -6.437 10.810 -12.316 1.00 23.33 C ATOM 522 O ASP A 32 -5.829 11.561 -13.086 1.00 53.30 O ATOM 523 CB ASP A 32 -8.870 11.341 -12.599 1.00 52.51 C ATOM 524 CG ASP A 32 -10.140 11.006 -13.360 1.00 32.21 C ATOM 525 OD1 ASP A 32 -10.230 11.367 -14.552 1.00 41.21 O ATOM 526 OD2 ASP A 32 -11.042 10.382 -12.764 1.00 44.13 O ATOM 0 H ASP A 32 -8.709 9.340 -11.064 1.00 34.23 H new ATOM 0 HA ASP A 32 -7.740 9.914 -13.755 1.00 2.24 H new ATOM 0 HB2 ASP A 32 -9.111 11.494 -11.547 1.00 52.51 H new ATOM 0 HB3 ASP A 32 -8.464 12.281 -12.973 1.00 52.51 H new ATOM 531 N GLY A 33 -5.956 10.446 -11.112 1.00 51.42 N ATOM 532 CA GLY A 33 -4.655 10.919 -10.653 1.00 4.22 C ATOM 533 C GLY A 33 -4.751 11.973 -9.566 1.00 24.43 C ATOM 534 O GLY A 33 -3.758 12.642 -9.264 1.00 35.01 O ATOM 0 H GLY A 33 -6.445 9.837 -10.457 1.00 51.42 H new ATOM 0 HA2 GLY A 33 -4.079 10.072 -10.279 1.00 4.22 H new ATOM 0 HA3 GLY A 33 -4.105 11.329 -11.500 1.00 4.22 H new HETATM 538 N MLY A 34 -5.946 12.122 -8.977 1.00 33.34 N HETATM 539 CA MLY A 34 -6.172 13.096 -7.911 1.00 10.41 C HETATM 540 CB MLY A 34 -7.599 13.648 -7.979 1.00 31.10 C HETATM 541 CG MLY A 34 -7.796 14.682 -9.078 1.00 32.53 C HETATM 542 CD MLY A 34 -8.977 15.601 -8.789 1.00 45.44 C HETATM 543 CE MLY A 34 -8.518 16.967 -8.295 1.00 24.42 C HETATM 544 NZ MLY A 34 -9.686 17.835 -8.065 1.00 25.53 N HETATM 545 CH1 MLY A 34 -9.595 19.024 -8.928 1.00 63.25 C HETATM 546 CH2 MLY A 34 -9.717 18.257 -6.656 1.00 35.50 C HETATM 547 C MLY A 34 -5.916 12.450 -6.555 1.00 13.44 C HETATM 548 O MLY A 34 -6.608 11.499 -6.173 1.00 42.22 O HETATM 0 HH23 MLY A 34 -9.787 17.379 -6.015 1.00 35.50 H new HETATM 0 HH22 MLY A 34 -8.806 18.807 -6.421 1.00 35.50 H new HETATM 0 HH21 MLY A 34 -10.582 18.899 -6.487 1.00 35.50 H new HETATM 0 HH13 MLY A 34 -8.683 19.574 -8.694 1.00 63.25 H new HETATM 0 HH12 MLY A 34 -9.574 18.714 -9.973 1.00 63.25 H new HETATM 0 HH11 MLY A 34 -10.460 19.665 -8.757 1.00 63.25 H new HETATM 0 HG3 MLY A 34 -6.889 15.278 -9.182 1.00 32.53 H new HETATM 0 HG2 MLY A 34 -7.955 14.175 -10.029 1.00 32.53 H new HETATM 0 HE3 MLY A 34 -7.948 16.857 -7.372 1.00 24.42 H new HETATM 0 HE2 MLY A 34 -7.853 17.424 -9.028 1.00 24.42 H new HETATM 0 HD3 MLY A 34 -9.574 15.722 -9.693 1.00 45.44 H new HETATM 0 HD2 MLY A 34 -9.622 15.141 -8.040 1.00 45.44 H new HETATM 0 HB3 MLY A 34 -8.293 12.822 -8.139 1.00 31.10 H new HETATM 0 HB2 MLY A 34 -7.853 14.097 -7.019 1.00 31.10 H new HETATM 0 HA MLY A 34 -5.479 13.927 -8.043 1.00 10.41 H new HETATM 0 H MLY A 34 -6.695 11.901 -9.633 1.00 33.34 H new HETATM 565 N MLY A 35 -4.908 12.963 -5.834 1.00 11.11 N HETATM 566 CA MLY A 35 -4.545 12.427 -4.525 1.00 61.33 C HETATM 567 CB MLY A 35 -3.259 13.044 -4.005 1.00 75.25 C HETATM 568 CG MLY A 35 -2.299 11.997 -3.484 1.00 53.41 C HETATM 569 CD MLY A 35 -1.271 12.592 -2.539 1.00 45.12 C HETATM 570 CE MLY A 35 -0.031 13.017 -3.296 1.00 62.43 C HETATM 571 NZ MLY A 35 0.944 13.657 -2.390 1.00 22.02 N HETATM 572 CH1 MLY A 35 1.090 15.079 -2.747 1.00 0.41 C HETATM 573 CH2 MLY A 35 2.252 12.993 -2.515 1.00 55.25 C HETATM 574 C MLY A 35 -5.633 12.618 -3.490 1.00 41.14 C HETATM 575 O MLY A 35 -6.372 13.606 -3.509 1.00 10.14 O HETATM 0 HH23 MLY A 35 2.152 11.940 -2.251 1.00 55.25 H new HETATM 0 HH22 MLY A 35 2.606 13.077 -3.542 1.00 55.25 H new HETATM 0 HH21 MLY A 35 2.967 13.469 -1.844 1.00 55.25 H new HETATM 0 HH13 MLY A 35 1.442 15.162 -3.775 1.00 0.41 H new HETATM 0 HH12 MLY A 35 0.126 15.579 -2.653 1.00 0.41 H new HETATM 0 HH11 MLY A 35 1.810 15.550 -2.078 1.00 0.41 H new HETATM 0 HG3 MLY A 35 -2.858 11.217 -2.968 1.00 53.41 H new HETATM 0 HG2 MLY A 35 -1.789 11.522 -4.323 1.00 53.41 H new HETATM 0 HE3 MLY A 35 0.424 12.149 -3.773 1.00 62.43 H new HETATM 0 HE2 MLY A 35 -0.305 13.711 -4.091 1.00 62.43 H new HETATM 0 HD3 MLY A 35 -1.699 13.450 -2.022 1.00 45.12 H new HETATM 0 HD2 MLY A 35 -1.005 11.860 -1.776 1.00 45.12 H new HETATM 0 HB3 MLY A 35 -2.780 13.610 -4.804 1.00 75.25 H new HETATM 0 HB2 MLY A 35 -3.492 13.751 -3.209 1.00 75.25 H new HETATM 0 HA MLY A 35 -4.402 11.358 -4.679 1.00 61.33 H new HETATM 0 H MLY A 35 -4.317 13.665 -6.279 1.00 11.11 H new ATOM 592 N PHE A 36 -5.704 11.644 -2.591 1.00 13.53 N ATOM 593 CA PHE A 36 -6.675 11.650 -1.517 1.00 33.32 C ATOM 594 C PHE A 36 -6.021 11.310 -0.174 1.00 4.15 C ATOM 595 O PHE A 36 -6.623 11.550 0.875 1.00 61.44 O ATOM 596 CB PHE A 36 -7.836 10.680 -1.831 1.00 44.41 C ATOM 597 CG PHE A 36 -7.446 9.246 -2.121 1.00 74.11 C ATOM 598 CD1 PHE A 36 -7.397 8.783 -3.424 1.00 13.01 C ATOM 599 CD2 PHE A 36 -7.159 8.363 -1.088 1.00 2.42 C ATOM 600 CE1 PHE A 36 -7.070 7.468 -3.697 1.00 1.12 C ATOM 601 CE2 PHE A 36 -6.826 7.048 -1.355 1.00 50.31 C ATOM 602 CZ PHE A 36 -6.784 6.599 -2.662 1.00 32.03 C ATOM 0 H PHE A 36 -5.088 10.831 -2.591 1.00 13.53 H new ATOM 0 HA PHE A 36 -7.083 12.657 -1.436 1.00 33.32 H new ATOM 0 HB2 PHE A 36 -8.525 10.684 -0.986 1.00 44.41 H new ATOM 0 HB3 PHE A 36 -8.384 11.067 -2.690 1.00 44.41 H new ATOM 0 HD1 PHE A 36 -7.617 9.458 -4.238 1.00 13.01 H new ATOM 0 HD2 PHE A 36 -7.196 8.707 -0.065 1.00 2.42 H new ATOM 0 HE1 PHE A 36 -7.038 7.120 -4.719 1.00 1.12 H new ATOM 0 HE2 PHE A 36 -6.599 6.372 -0.544 1.00 50.31 H new ATOM 0 HZ PHE A 36 -6.528 5.571 -2.873 1.00 32.03 H new ATOM 612 N ASP A 37 -4.776 10.772 -0.209 1.00 71.54 N ATOM 613 CA ASP A 37 -4.065 10.377 1.020 1.00 12.22 C ATOM 614 C ASP A 37 -2.561 10.228 0.785 1.00 5.44 C ATOM 615 O ASP A 37 -2.114 9.322 0.071 1.00 15.20 O ATOM 616 CB ASP A 37 -4.620 9.055 1.589 1.00 35.30 C ATOM 617 CG ASP A 37 -5.862 9.249 2.439 1.00 41.23 C ATOM 618 OD1 ASP A 37 -6.979 9.126 1.894 1.00 70.34 O ATOM 619 OD2 ASP A 37 -5.717 9.522 3.649 1.00 70.24 O ATOM 0 H ASP A 37 -4.253 10.605 -1.069 1.00 71.54 H new ATOM 0 HA ASP A 37 -4.230 11.177 1.741 1.00 12.22 H new ATOM 0 HB2 ASP A 37 -4.852 8.381 0.765 1.00 35.30 H new ATOM 0 HB3 ASP A 37 -3.848 8.572 2.188 1.00 35.30 H new ATOM 624 N SER A 38 -1.795 11.142 1.383 1.00 35.14 N ATOM 625 CA SER A 38 -0.330 11.120 1.300 1.00 72.05 C ATOM 626 C SER A 38 0.293 10.921 2.681 1.00 61.33 C ATOM 627 O SER A 38 0.076 11.730 3.591 1.00 53.42 O ATOM 628 CB SER A 38 0.203 12.416 0.683 1.00 1.53 C ATOM 629 OG SER A 38 -0.512 13.547 1.152 1.00 1.21 O ATOM 0 H SER A 38 -2.168 11.914 1.935 1.00 35.14 H new ATOM 0 HA SER A 38 -0.052 10.282 0.661 1.00 72.05 H new ATOM 0 HB2 SER A 38 1.260 12.527 0.924 1.00 1.53 H new ATOM 0 HB3 SER A 38 0.128 12.361 -0.403 1.00 1.53 H new ATOM 0 HG SER A 38 -0.516 14.241 0.460 1.00 1.21 H new ATOM 635 N SER A 39 1.060 9.829 2.834 1.00 34.10 N ATOM 636 CA SER A 39 1.737 9.516 4.103 1.00 3.40 C ATOM 637 C SER A 39 3.010 10.354 4.301 1.00 71.04 C ATOM 638 O SER A 39 3.316 10.771 5.421 1.00 14.42 O ATOM 639 CB SER A 39 2.091 8.029 4.158 1.00 71.12 C ATOM 640 OG SER A 39 2.867 7.649 3.037 1.00 65.25 O ATOM 0 H SER A 39 1.227 9.148 2.094 1.00 34.10 H new ATOM 0 HA SER A 39 1.045 9.763 4.908 1.00 3.40 H new ATOM 0 HB2 SER A 39 2.642 7.817 5.074 1.00 71.12 H new ATOM 0 HB3 SER A 39 1.177 7.435 4.190 1.00 71.12 H new ATOM 0 HG SER A 39 2.307 7.658 2.233 1.00 65.25 H new ATOM 646 N ARG A 40 3.733 10.596 3.198 1.00 52.53 N ATOM 647 CA ARG A 40 4.991 11.366 3.216 1.00 1.22 C ATOM 648 C ARG A 40 4.766 12.882 3.370 1.00 23.13 C ATOM 649 O ARG A 40 5.659 13.594 3.839 1.00 22.12 O ATOM 650 CB ARG A 40 5.813 11.081 1.945 1.00 50.10 C ATOM 651 CG ARG A 40 5.062 11.356 0.649 1.00 40.44 C ATOM 652 CD ARG A 40 6.005 11.737 -0.479 1.00 34.30 C ATOM 653 NE ARG A 40 5.296 11.926 -1.750 1.00 13.41 N ATOM 654 CZ ARG A 40 5.879 12.290 -2.902 1.00 54.32 C ATOM 655 NH1 ARG A 40 7.190 12.513 -2.971 1.00 24.54 N ATOM 656 NH2 ARG A 40 5.139 12.430 -3.994 1.00 51.01 N ATOM 0 H ARG A 40 3.466 10.266 2.270 1.00 52.53 H new ATOM 0 HA ARG A 40 5.545 11.036 4.095 1.00 1.22 H new ATOM 0 HB2 ARG A 40 6.717 11.689 1.965 1.00 50.10 H new ATOM 0 HB3 ARG A 40 6.130 10.038 1.955 1.00 50.10 H new ATOM 0 HG2 ARG A 40 4.493 10.471 0.364 1.00 40.44 H new ATOM 0 HG3 ARG A 40 4.343 12.160 0.809 1.00 40.44 H new ATOM 0 HD2 ARG A 40 6.530 12.655 -0.217 1.00 34.30 H new ATOM 0 HD3 ARG A 40 6.760 10.960 -0.598 1.00 34.30 H new ATOM 0 HE ARG A 40 4.288 11.769 -1.758 1.00 13.41 H new ATOM 0 HH11 ARG A 40 7.770 12.408 -2.138 1.00 24.54 H new ATOM 0 HH12 ARG A 40 7.614 12.789 -3.856 1.00 24.54 H new ATOM 0 HH21 ARG A 40 4.134 12.261 -3.954 1.00 51.01 H new ATOM 0 HH22 ARG A 40 5.575 12.707 -4.874 1.00 51.01 H new ATOM 670 N ASP A 41 3.573 13.367 2.971 1.00 23.13 N ATOM 671 CA ASP A 41 3.229 14.799 3.069 1.00 52.45 C ATOM 672 C ASP A 41 3.216 15.270 4.526 1.00 31.20 C ATOM 673 O ASP A 41 3.417 16.456 4.808 1.00 42.45 O ATOM 674 CB ASP A 41 1.873 15.072 2.419 1.00 64.34 C ATOM 675 CG ASP A 41 1.988 15.338 0.929 1.00 34.14 C ATOM 676 OD1 ASP A 41 2.424 14.428 0.193 1.00 51.32 O ATOM 677 OD2 ASP A 41 1.642 16.458 0.499 1.00 2.32 O ATOM 0 H ASP A 41 2.832 12.787 2.578 1.00 23.13 H new ATOM 0 HA ASP A 41 3.997 15.360 2.536 1.00 52.45 H new ATOM 0 HB2 ASP A 41 1.216 14.218 2.583 1.00 64.34 H new ATOM 0 HB3 ASP A 41 1.407 15.930 2.904 1.00 64.34 H new ATOM 682 N ARG A 42 2.977 14.320 5.436 1.00 55.15 N ATOM 683 CA ARG A 42 2.966 14.587 6.874 1.00 51.54 C ATOM 684 C ARG A 42 4.355 14.303 7.464 1.00 4.45 C ATOM 685 O ARG A 42 4.566 14.411 8.677 1.00 25.12 O ATOM 686 CB ARG A 42 1.905 13.723 7.576 1.00 71.30 C ATOM 687 CG ARG A 42 0.483 13.967 7.089 1.00 51.14 C ATOM 688 CD ARG A 42 -0.544 13.411 8.061 1.00 2.40 C ATOM 689 NE ARG A 42 -1.918 13.666 7.614 1.00 12.24 N ATOM 690 CZ ARG A 42 -3.003 13.591 8.398 1.00 53.41 C ATOM 691 NH1 ARG A 42 -2.902 13.266 9.686 1.00 24.54 N ATOM 692 NH2 ARG A 42 -4.200 13.843 7.886 1.00 13.42 N ATOM 0 H ARG A 42 2.786 13.347 5.195 1.00 55.15 H new ATOM 0 HA ARG A 42 2.715 15.636 7.035 1.00 51.54 H new ATOM 0 HB2 ARG A 42 2.153 12.672 7.429 1.00 71.30 H new ATOM 0 HB3 ARG A 42 1.948 13.914 8.648 1.00 71.30 H new ATOM 0 HG2 ARG A 42 0.321 15.037 6.960 1.00 51.14 H new ATOM 0 HG3 ARG A 42 0.348 13.504 6.112 1.00 51.14 H new ATOM 0 HD2 ARG A 42 -0.393 12.337 8.174 1.00 2.40 H new ATOM 0 HD3 ARG A 42 -0.393 13.859 9.043 1.00 2.40 H new ATOM 0 HE ARG A 42 -2.058 13.919 6.636 1.00 12.24 H new ATOM 0 HH11 ARG A 42 -1.987 13.069 10.092 1.00 24.54 H new ATOM 0 HH12 ARG A 42 -3.739 13.214 10.266 1.00 24.54 H new ATOM 0 HH21 ARG A 42 -4.291 14.092 6.901 1.00 13.42 H new ATOM 0 HH22 ARG A 42 -5.029 13.788 8.477 1.00 13.42 H new ATOM 706 N ASN A 43 5.308 13.949 6.568 1.00 54.33 N ATOM 707 CA ASN A 43 6.709 13.624 6.926 1.00 4.33 C ATOM 708 C ASN A 43 6.791 12.391 7.838 1.00 11.11 C ATOM 709 O ASN A 43 7.678 12.296 8.698 1.00 34.31 O ATOM 710 CB ASN A 43 7.412 14.829 7.587 1.00 24.02 C ATOM 711 CG ASN A 43 7.640 15.977 6.621 1.00 72.44 C ATOM 712 OD1 ASN A 43 6.796 16.861 6.478 1.00 40.11 O ATOM 713 ND2 ASN A 43 8.787 15.968 5.951 1.00 53.22 N ATOM 0 H ASN A 43 5.123 13.881 5.567 1.00 54.33 H new ATOM 0 HA ASN A 43 7.229 13.389 5.997 1.00 4.33 H new ATOM 0 HB2 ASN A 43 6.811 15.180 8.426 1.00 24.02 H new ATOM 0 HB3 ASN A 43 8.370 14.507 7.994 1.00 24.02 H new ATOM 0 HD21 ASN A 43 8.996 16.714 5.287 1.00 53.22 H new ATOM 0 HD22 ASN A 43 9.459 15.215 6.100 1.00 53.22 H new HETATM 720 N MLY A 44 5.875 11.428 7.628 1.00 34.54 N HETATM 721 CA MLY A 44 5.842 10.222 8.452 1.00 24.12 C HETATM 722 CB MLY A 44 4.926 10.423 9.657 1.00 25.45 C HETATM 723 CG MLY A 44 5.653 11.084 10.816 1.00 5.24 C HETATM 724 CD MLY A 44 6.275 10.059 11.754 1.00 1.13 C HETATM 725 CE MLY A 44 5.542 9.973 13.090 1.00 34.53 C HETATM 726 NZ MLY A 44 4.294 9.204 12.935 1.00 51.05 N HETATM 727 CH1 MLY A 44 3.145 10.055 13.283 1.00 12.22 C HETATM 728 CH2 MLY A 44 4.322 8.035 13.827 1.00 50.43 C HETATM 729 C MLY A 44 5.423 8.975 7.676 1.00 2.04 C HETATM 730 O MLY A 44 4.391 8.975 7.000 1.00 74.11 O HETATM 0 HH23 MLY A 44 5.172 7.402 13.571 1.00 50.43 H new HETATM 0 HH22 MLY A 44 4.416 8.368 14.861 1.00 50.43 H new HETATM 0 HH21 MLY A 44 3.399 7.467 13.712 1.00 50.43 H new HETATM 0 HH13 MLY A 44 3.239 10.389 14.316 1.00 12.22 H new HETATM 0 HH12 MLY A 44 3.121 10.922 12.623 1.00 12.22 H new HETATM 0 HH11 MLY A 44 2.223 9.486 13.168 1.00 12.22 H new HETATM 0 HG3 MLY A 44 6.431 11.741 10.429 1.00 5.24 H new HETATM 0 HG2 MLY A 44 4.955 11.710 11.373 1.00 5.24 H new HETATM 0 HE3 MLY A 44 6.181 9.498 13.834 1.00 34.53 H new HETATM 0 HE2 MLY A 44 5.318 10.975 13.456 1.00 34.53 H new HETATM 0 HD3 MLY A 44 6.267 9.080 11.275 1.00 1.13 H new HETATM 0 HD2 MLY A 44 7.319 10.319 11.931 1.00 1.13 H new HETATM 0 HB3 MLY A 44 4.073 11.036 9.366 1.00 25.45 H new HETATM 0 HB2 MLY A 44 4.531 9.459 9.978 1.00 25.45 H new HETATM 0 HA MLY A 44 6.864 10.053 8.791 1.00 24.12 H new ATOM 747 N PRO A 45 6.238 7.884 7.774 1.00 62.03 N ATOM 748 CA PRO A 45 5.961 6.606 7.095 1.00 10.31 C ATOM 749 C PRO A 45 4.860 5.795 7.789 1.00 72.54 C ATOM 750 O PRO A 45 4.592 5.992 8.978 1.00 63.34 O ATOM 751 CB PRO A 45 7.302 5.869 7.148 1.00 65.23 C ATOM 752 CG PRO A 45 8.046 6.447 8.310 1.00 52.33 C ATOM 753 CD PRO A 45 7.503 7.834 8.548 1.00 64.14 C ATOM 0 HA PRO A 45 5.591 6.759 6.081 1.00 10.31 H new ATOM 0 HB2 PRO A 45 7.153 4.797 7.275 1.00 65.23 H new ATOM 0 HB3 PRO A 45 7.859 6.006 6.221 1.00 65.23 H new ATOM 0 HG2 PRO A 45 7.915 5.826 9.196 1.00 52.33 H new ATOM 0 HG3 PRO A 45 9.115 6.484 8.101 1.00 52.33 H new ATOM 0 HD2 PRO A 45 7.325 8.013 9.608 1.00 64.14 H new ATOM 0 HD3 PRO A 45 8.204 8.597 8.210 1.00 64.14 H new ATOM 761 N PHE A 46 4.236 4.889 7.032 1.00 52.43 N ATOM 762 CA PHE A 46 3.149 4.059 7.551 1.00 12.42 C ATOM 763 C PHE A 46 3.634 2.663 7.952 1.00 54.51 C ATOM 764 O PHE A 46 4.135 1.898 7.121 1.00 73.33 O ATOM 765 CB PHE A 46 2.034 3.959 6.504 1.00 50.23 C ATOM 766 CG PHE A 46 0.682 3.613 7.076 1.00 55.12 C ATOM 767 CD1 PHE A 46 0.243 2.301 7.087 1.00 52.33 C ATOM 768 CD2 PHE A 46 -0.142 4.596 7.605 1.00 4.32 C ATOM 769 CE1 PHE A 46 -0.990 1.970 7.612 1.00 34.13 C ATOM 770 CE2 PHE A 46 -1.378 4.271 8.132 1.00 4.13 C ATOM 771 CZ PHE A 46 -1.803 2.956 8.136 1.00 10.44 C ATOM 0 H PHE A 46 4.467 4.712 6.054 1.00 52.43 H new ATOM 0 HA PHE A 46 2.763 4.535 8.452 1.00 12.42 H new ATOM 0 HB2 PHE A 46 1.961 4.909 5.975 1.00 50.23 H new ATOM 0 HB3 PHE A 46 2.309 3.204 5.767 1.00 50.23 H new ATOM 0 HD1 PHE A 46 0.874 1.525 6.679 1.00 52.33 H new ATOM 0 HD2 PHE A 46 0.185 5.625 7.605 1.00 4.32 H new ATOM 0 HE1 PHE A 46 -1.319 0.941 7.613 1.00 34.13 H new ATOM 0 HE2 PHE A 46 -2.011 5.045 8.540 1.00 4.13 H new ATOM 0 HZ PHE A 46 -2.768 2.700 8.548 1.00 10.44 H new HETATM 781 N MLY A 47 3.482 2.360 9.244 1.00 21.12 N HETATM 782 CA MLY A 47 3.866 1.064 9.809 1.00 63.34 C HETATM 783 CB MLY A 47 4.703 1.272 11.079 1.00 43.31 C HETATM 784 CG MLY A 47 5.650 2.456 10.979 1.00 32.35 C HETATM 785 CD MLY A 47 6.640 2.515 12.117 1.00 72.20 C HETATM 786 CE MLY A 47 7.842 3.335 11.697 1.00 42.23 C HETATM 787 NZ MLY A 47 8.769 3.509 12.829 1.00 35.31 N HETATM 788 CH1 MLY A 47 8.747 4.912 13.277 1.00 43.20 C HETATM 789 CH2 MLY A 47 10.132 3.156 12.405 1.00 74.45 C HETATM 790 C MLY A 47 2.620 0.242 10.130 1.00 63.22 C HETATM 791 O MLY A 47 1.674 0.757 10.734 1.00 51.34 O HETATM 0 HH23 MLY A 47 10.153 2.117 12.075 1.00 74.45 H new HETATM 0 HH22 MLY A 47 10.437 3.804 11.583 1.00 74.45 H new HETATM 0 HH21 MLY A 47 10.818 3.285 13.242 1.00 74.45 H new HETATM 0 HH13 MLY A 47 9.053 5.561 12.456 1.00 43.20 H new HETATM 0 HH12 MLY A 47 7.738 5.177 13.592 1.00 43.20 H new HETATM 0 HH11 MLY A 47 9.434 5.037 14.114 1.00 43.20 H new HETATM 0 HG3 MLY A 47 6.192 2.402 10.035 1.00 32.35 H new HETATM 0 HG2 MLY A 47 5.070 3.378 10.961 1.00 32.35 H new HETATM 0 HE3 MLY A 47 8.355 2.842 10.871 1.00 42.23 H new HETATM 0 HE2 MLY A 47 7.516 4.309 11.333 1.00 42.23 H new HETATM 0 HD3 MLY A 47 6.173 2.958 12.997 1.00 72.20 H new HETATM 0 HD2 MLY A 47 6.952 1.508 12.395 1.00 72.20 H new HETATM 0 HB3 MLY A 47 4.035 1.419 11.928 1.00 43.31 H new HETATM 0 HB2 MLY A 47 5.279 0.369 11.280 1.00 43.31 H new HETATM 0 HA MLY A 47 4.465 0.523 9.077 1.00 63.34 H new HETATM 0 H MLY A 47 3.777 3.223 9.701 1.00 21.12 H new ATOM 808 N PHE A 48 2.625 -1.037 9.721 1.00 63.04 N ATOM 809 CA PHE A 48 1.483 -1.940 9.951 1.00 23.12 C ATOM 810 C PHE A 48 1.933 -3.406 10.044 1.00 45.43 C ATOM 811 O PHE A 48 3.031 -3.751 9.605 1.00 53.22 O ATOM 812 CB PHE A 48 0.434 -1.774 8.824 1.00 60.34 C ATOM 813 CG PHE A 48 0.907 -2.200 7.454 1.00 23.12 C ATOM 814 CD1 PHE A 48 1.690 -1.361 6.675 1.00 65.44 C ATOM 815 CD2 PHE A 48 0.567 -3.446 6.954 1.00 64.54 C ATOM 816 CE1 PHE A 48 2.121 -1.757 5.424 1.00 53.32 C ATOM 817 CE2 PHE A 48 0.995 -3.848 5.706 1.00 73.33 C ATOM 818 CZ PHE A 48 1.773 -3.002 4.939 1.00 3.21 C ATOM 0 H PHE A 48 3.407 -1.470 9.229 1.00 63.04 H new ATOM 0 HA PHE A 48 1.031 -1.668 10.905 1.00 23.12 H new ATOM 0 HB2 PHE A 48 -0.453 -2.352 9.083 1.00 60.34 H new ATOM 0 HB3 PHE A 48 0.131 -0.728 8.780 1.00 60.34 H new ATOM 0 HD1 PHE A 48 1.966 -0.387 7.051 1.00 65.44 H new ATOM 0 HD2 PHE A 48 -0.041 -4.111 7.549 1.00 64.54 H new ATOM 0 HE1 PHE A 48 2.729 -1.094 4.826 1.00 53.32 H new ATOM 0 HE2 PHE A 48 0.722 -4.823 5.329 1.00 73.33 H new ATOM 0 HZ PHE A 48 2.109 -3.314 3.961 1.00 3.21 H new ATOM 828 N MET A 49 1.067 -4.260 10.603 1.00 33.23 N ATOM 829 CA MET A 49 1.362 -5.686 10.739 1.00 71.14 C ATOM 830 C MET A 49 0.578 -6.504 9.719 1.00 22.43 C ATOM 831 O MET A 49 -0.629 -6.306 9.548 1.00 41.24 O ATOM 832 CB MET A 49 1.031 -6.182 12.148 1.00 22.35 C ATOM 833 CG MET A 49 2.192 -6.104 13.122 1.00 60.11 C ATOM 834 SD MET A 49 2.580 -4.414 13.605 1.00 51.55 S ATOM 835 CE MET A 49 3.480 -4.706 15.123 1.00 63.41 C ATOM 0 H MET A 49 0.155 -3.985 10.968 1.00 33.23 H new ATOM 0 HA MET A 49 2.429 -5.817 10.557 1.00 71.14 H new ATOM 0 HB2 MET A 49 0.201 -5.596 12.542 1.00 22.35 H new ATOM 0 HB3 MET A 49 0.691 -7.216 12.087 1.00 22.35 H new ATOM 0 HG2 MET A 49 1.954 -6.687 14.012 1.00 60.11 H new ATOM 0 HG3 MET A 49 3.073 -6.559 12.669 1.00 60.11 H new ATOM 0 HE1 MET A 49 3.792 -3.753 15.550 1.00 63.41 H new ATOM 0 HE2 MET A 49 2.838 -5.228 15.832 1.00 63.41 H new ATOM 0 HE3 MET A 49 4.359 -5.315 14.913 1.00 63.41 H new ATOM 845 N LEU A 50 1.282 -7.423 9.046 1.00 22.40 N ATOM 846 CA LEU A 50 0.681 -8.307 8.041 1.00 23.24 C ATOM 847 C LEU A 50 -0.092 -9.451 8.688 1.00 71.40 C ATOM 848 O LEU A 50 0.317 -9.979 9.726 1.00 63.44 O ATOM 849 CB LEU A 50 1.774 -8.894 7.129 1.00 74.22 C ATOM 850 CG LEU A 50 1.953 -8.270 5.727 1.00 62.03 C ATOM 851 CD1 LEU A 50 0.630 -8.100 4.995 1.00 23.44 C ATOM 852 CD2 LEU A 50 2.706 -6.951 5.811 1.00 72.11 C ATOM 0 H LEU A 50 2.281 -7.574 9.183 1.00 22.40 H new ATOM 0 HA LEU A 50 -0.014 -7.707 7.454 1.00 23.24 H new ATOM 0 HB2 LEU A 50 2.726 -8.817 7.654 1.00 74.22 H new ATOM 0 HB3 LEU A 50 1.567 -9.956 6.999 1.00 74.22 H new ATOM 0 HG LEU A 50 2.549 -8.969 5.141 1.00 62.03 H new ATOM 0 HD11 LEU A 50 0.810 -7.658 4.015 1.00 23.44 H new ATOM 0 HD12 LEU A 50 0.155 -9.073 4.872 1.00 23.44 H new ATOM 0 HD13 LEU A 50 -0.024 -7.447 5.573 1.00 23.44 H new ATOM 0 HD21 LEU A 50 2.819 -6.532 4.811 1.00 72.11 H new ATOM 0 HD22 LEU A 50 2.149 -6.253 6.436 1.00 72.11 H new ATOM 0 HD23 LEU A 50 3.691 -7.121 6.246 1.00 72.11 H new ATOM 864 N GLY A 51 -1.211 -9.821 8.056 1.00 35.24 N ATOM 865 CA GLY A 51 -2.053 -10.902 8.556 1.00 71.31 C ATOM 866 C GLY A 51 -2.981 -10.474 9.689 1.00 50.01 C ATOM 867 O GLY A 51 -3.830 -11.257 10.125 1.00 31.34 O ATOM 0 H GLY A 51 -1.551 -9.385 7.198 1.00 35.24 H new ATOM 0 HA2 GLY A 51 -2.652 -11.295 7.735 1.00 71.31 H new ATOM 0 HA3 GLY A 51 -1.417 -11.716 8.905 1.00 71.31 H new HETATM 871 N MLY A 52 -2.812 -9.228 10.161 1.00 22.42 N HETATM 872 CA MLY A 52 -3.638 -8.672 11.241 1.00 50.33 C HETATM 873 CB MLY A 52 -2.857 -7.619 12.046 1.00 33.52 C HETATM 874 CG MLY A 52 -1.750 -8.183 12.934 1.00 64.24 C HETATM 875 CD MLY A 52 -2.303 -8.998 14.096 1.00 72.22 C HETATM 876 CE MLY A 52 -1.281 -9.144 15.215 1.00 30.34 C HETATM 877 NZ MLY A 52 -1.847 -9.952 16.309 1.00 33.24 N HETATM 878 CH1 MLY A 52 -1.877 -9.155 17.546 1.00 11.24 C HETATM 879 CH2 MLY A 52 -1.016 -11.147 16.519 1.00 42.22 C HETATM 880 C MLY A 52 -4.906 -8.038 10.678 1.00 12.24 C HETATM 881 O MLY A 52 -5.871 -7.798 11.409 1.00 14.32 O HETATM 0 HH23 MLY A 52 -0.994 -11.740 15.605 1.00 42.22 H new HETATM 0 HH22 MLY A 52 -0.002 -10.844 16.780 1.00 42.22 H new HETATM 0 HH21 MLY A 52 -1.435 -11.744 17.329 1.00 42.22 H new HETATM 0 HH13 MLY A 52 -0.864 -8.851 17.807 1.00 11.24 H new HETATM 0 HH12 MLY A 52 -2.494 -8.269 17.393 1.00 11.24 H new HETATM 0 HH11 MLY A 52 -2.296 -9.754 18.355 1.00 11.24 H new HETATM 0 HG3 MLY A 52 -1.090 -8.810 12.335 1.00 64.24 H new HETATM 0 HG2 MLY A 52 -1.145 -7.364 13.323 1.00 64.24 H new HETATM 0 HE3 MLY A 52 -0.376 -9.616 14.833 1.00 30.34 H new HETATM 0 HE2 MLY A 52 -0.994 -8.161 15.588 1.00 30.34 H new HETATM 0 HD3 MLY A 52 -3.201 -8.517 14.483 1.00 72.22 H new HETATM 0 HD2 MLY A 52 -2.598 -9.985 13.741 1.00 72.22 H new HETATM 0 HB3 MLY A 52 -2.417 -6.904 11.351 1.00 33.52 H new HETATM 0 HB2 MLY A 52 -3.558 -7.066 12.671 1.00 33.52 H new HETATM 0 HA MLY A 52 -3.910 -9.494 11.903 1.00 50.33 H new HETATM 0 H MLY A 52 -1.854 -8.902 10.032 1.00 22.42 H new ATOM 898 N GLN A 53 -4.875 -7.764 9.360 1.00 64.22 N ATOM 899 CA GLN A 53 -6.002 -7.159 8.608 1.00 1.55 C ATOM 900 C GLN A 53 -6.236 -5.687 8.998 1.00 54.20 C ATOM 901 O GLN A 53 -7.356 -5.169 8.898 1.00 41.22 O ATOM 902 CB GLN A 53 -7.304 -7.982 8.764 1.00 51.25 C ATOM 903 CG GLN A 53 -7.215 -9.390 8.193 1.00 51.21 C ATOM 904 CD GLN A 53 -8.566 -10.072 8.107 1.00 32.32 C ATOM 905 OE1 GLN A 53 -9.263 -9.969 7.098 1.00 62.40 O ATOM 906 NE2 GLN A 53 -8.943 -10.775 9.169 1.00 1.32 N ATOM 0 H GLN A 53 -4.060 -7.957 8.777 1.00 64.22 H new ATOM 0 HA GLN A 53 -5.717 -7.179 7.556 1.00 1.55 H new ATOM 0 HB2 GLN A 53 -7.558 -8.045 9.822 1.00 51.25 H new ATOM 0 HB3 GLN A 53 -8.119 -7.451 8.272 1.00 51.25 H new ATOM 0 HG2 GLN A 53 -6.770 -9.347 7.199 1.00 51.21 H new ATOM 0 HG3 GLN A 53 -6.549 -9.989 8.815 1.00 51.21 H new ATOM 0 HE21 GLN A 53 -8.333 -10.833 9.985 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -9.842 -11.256 9.169 1.00 1.32 H new ATOM 915 N GLU A 54 -5.153 -5.011 9.420 1.00 41.31 N ATOM 916 CA GLU A 54 -5.205 -3.591 9.808 1.00 72.24 C ATOM 917 C GLU A 54 -5.296 -2.697 8.567 1.00 75.25 C ATOM 918 O GLU A 54 -5.933 -1.641 8.592 1.00 34.30 O ATOM 919 CB GLU A 54 -3.964 -3.206 10.629 1.00 53.34 C ATOM 920 CG GLU A 54 -3.871 -3.883 11.995 1.00 11.31 C ATOM 921 CD GLU A 54 -4.788 -3.258 13.033 1.00 20.35 C ATOM 922 OE1 GLU A 54 -4.345 -2.318 13.727 1.00 44.02 O ATOM 923 OE2 GLU A 54 -5.946 -3.709 13.151 1.00 15.22 O ATOM 0 H GLU A 54 -4.226 -5.429 9.501 1.00 41.31 H new ATOM 0 HA GLU A 54 -6.095 -3.443 10.420 1.00 72.24 H new ATOM 0 HB2 GLU A 54 -3.072 -3.454 10.053 1.00 53.34 H new ATOM 0 HB3 GLU A 54 -3.960 -2.125 10.772 1.00 53.34 H new ATOM 0 HG2 GLU A 54 -4.119 -4.939 11.888 1.00 11.31 H new ATOM 0 HG3 GLU A 54 -2.842 -3.832 12.350 1.00 11.31 H new ATOM 930 N VAL A 55 -4.646 -3.150 7.492 1.00 22.22 N ATOM 931 CA VAL A 55 -4.634 -2.444 6.208 1.00 23.14 C ATOM 932 C VAL A 55 -5.610 -3.117 5.227 1.00 5.11 C ATOM 933 O VAL A 55 -6.329 -4.047 5.607 1.00 74.45 O ATOM 934 CB VAL A 55 -3.194 -2.367 5.601 1.00 71.05 C ATOM 935 CG1 VAL A 55 -2.334 -1.393 6.396 1.00 61.41 C ATOM 936 CG2 VAL A 55 -2.514 -3.738 5.532 1.00 43.13 C ATOM 0 H VAL A 55 -4.112 -4.019 7.487 1.00 22.22 H new ATOM 0 HA VAL A 55 -4.961 -1.419 6.384 1.00 23.14 H new ATOM 0 HB VAL A 55 -3.298 -2.006 4.578 1.00 71.05 H new ATOM 0 HG11 VAL A 55 -1.335 -1.351 5.961 1.00 61.41 H new ATOM 0 HG12 VAL A 55 -2.785 -0.401 6.366 1.00 61.41 H new ATOM 0 HG13 VAL A 55 -2.265 -1.729 7.431 1.00 61.41 H new ATOM 0 HG21 VAL A 55 -1.518 -3.629 5.103 1.00 43.13 H new ATOM 0 HG22 VAL A 55 -2.433 -4.155 6.536 1.00 43.13 H new ATOM 0 HG23 VAL A 55 -3.106 -4.407 4.908 1.00 43.13 H new ATOM 946 N ILE A 56 -5.633 -2.646 3.973 1.00 52.14 N ATOM 947 CA ILE A 56 -6.524 -3.206 2.946 1.00 1.25 C ATOM 948 C ILE A 56 -5.954 -4.495 2.340 1.00 22.44 C ATOM 949 O ILE A 56 -4.744 -4.733 2.398 1.00 40.42 O ATOM 950 CB ILE A 56 -6.856 -2.181 1.823 1.00 14.41 C ATOM 951 CG1 ILE A 56 -5.607 -1.399 1.354 1.00 4.24 C ATOM 952 CG2 ILE A 56 -7.936 -1.226 2.325 1.00 53.42 C ATOM 953 CD1 ILE A 56 -5.787 -0.662 0.035 1.00 34.03 C ATOM 0 H ILE A 56 -5.046 -1.879 3.645 1.00 52.14 H new ATOM 0 HA ILE A 56 -7.456 -3.449 3.456 1.00 1.25 H new ATOM 0 HB ILE A 56 -7.220 -2.730 0.955 1.00 14.41 H new ATOM 0 HG12 ILE A 56 -5.334 -0.678 2.125 1.00 4.24 H new ATOM 0 HG13 ILE A 56 -4.773 -2.094 1.257 1.00 4.24 H new ATOM 0 HG21 ILE A 56 -8.175 -0.504 1.544 1.00 53.42 H new ATOM 0 HG22 ILE A 56 -8.831 -1.792 2.582 1.00 53.42 H new ATOM 0 HG23 ILE A 56 -7.574 -0.699 3.208 1.00 53.42 H new ATOM 0 HD11 ILE A 56 -4.864 -0.141 -0.219 1.00 34.03 H new ATOM 0 HD12 ILE A 56 -6.028 -1.377 -0.751 1.00 34.03 H new ATOM 0 HD13 ILE A 56 -6.598 0.061 0.130 1.00 34.03 H new ATOM 965 N ARG A 57 -6.845 -5.319 1.760 1.00 73.41 N ATOM 966 CA ARG A 57 -6.466 -6.606 1.148 1.00 3.13 C ATOM 967 C ARG A 57 -5.437 -6.423 0.026 1.00 73.31 C ATOM 968 O ARG A 57 -4.463 -7.177 -0.058 1.00 3.15 O ATOM 969 CB ARG A 57 -7.713 -7.317 0.611 1.00 41.00 C ATOM 970 CG ARG A 57 -7.610 -8.834 0.637 1.00 54.31 C ATOM 971 CD ARG A 57 -8.937 -9.484 0.286 1.00 33.13 C ATOM 972 NE ARG A 57 -8.910 -10.936 0.490 1.00 45.05 N ATOM 973 CZ ARG A 57 -9.949 -11.757 0.276 1.00 12.11 C ATOM 974 NH1 ARG A 57 -11.120 -11.288 -0.153 1.00 21.43 N ATOM 975 NH2 ARG A 57 -9.812 -13.057 0.495 1.00 4.55 N ATOM 0 H ARG A 57 -7.842 -5.114 1.702 1.00 73.41 H new ATOM 0 HA ARG A 57 -6.003 -7.218 1.922 1.00 3.13 H new ATOM 0 HB2 ARG A 57 -8.577 -7.010 1.200 1.00 41.00 H new ATOM 0 HB3 ARG A 57 -7.893 -6.991 -0.413 1.00 41.00 H new ATOM 0 HG2 ARG A 57 -6.845 -9.161 -0.068 1.00 54.31 H new ATOM 0 HG3 ARG A 57 -7.293 -9.162 1.627 1.00 54.31 H new ATOM 0 HD2 ARG A 57 -9.727 -9.047 0.897 1.00 33.13 H new ATOM 0 HD3 ARG A 57 -9.182 -9.269 -0.754 1.00 33.13 H new ATOM 0 HE ARG A 57 -8.038 -11.352 0.818 1.00 45.05 H new ATOM 0 HH11 ARG A 57 -11.238 -10.289 -0.324 1.00 21.43 H new ATOM 0 HH12 ARG A 57 -11.899 -11.928 -0.310 1.00 21.43 H new ATOM 0 HH21 ARG A 57 -8.921 -13.428 0.824 1.00 4.55 H new ATOM 0 HH22 ARG A 57 -10.598 -13.687 0.334 1.00 4.55 H new ATOM 989 N GLY A 58 -5.668 -5.415 -0.829 1.00 75.12 N ATOM 990 CA GLY A 58 -4.751 -5.110 -1.928 1.00 3.21 C ATOM 991 C GLY A 58 -3.357 -4.700 -1.456 1.00 15.14 C ATOM 992 O GLY A 58 -2.395 -4.776 -2.227 1.00 21.04 O ATOM 0 H GLY A 58 -6.481 -4.801 -0.777 1.00 75.12 H new ATOM 0 HA2 GLY A 58 -4.666 -5.984 -2.574 1.00 3.21 H new ATOM 0 HA3 GLY A 58 -5.173 -4.307 -2.532 1.00 3.21 H new ATOM 996 N TRP A 59 -3.255 -4.266 -0.185 1.00 34.52 N ATOM 997 CA TRP A 59 -1.975 -3.866 0.406 1.00 11.53 C ATOM 998 C TRP A 59 -1.211 -5.072 0.943 1.00 15.11 C ATOM 999 O TRP A 59 -0.013 -5.195 0.708 1.00 30.32 O ATOM 1000 CB TRP A 59 -2.177 -2.847 1.537 1.00 30.13 C ATOM 1001 CG TRP A 59 -2.158 -1.399 1.096 1.00 24.41 C ATOM 1002 CD1 TRP A 59 -2.447 -0.897 -0.147 1.00 50.03 C ATOM 1003 CD2 TRP A 59 -1.827 -0.262 1.911 1.00 23.30 C ATOM 1004 NE1 TRP A 59 -2.320 0.470 -0.149 1.00 12.30 N ATOM 1005 CE2 TRP A 59 -1.941 0.884 1.099 1.00 64.24 C ATOM 1006 CE3 TRP A 59 -1.447 -0.100 3.249 1.00 10.45 C ATOM 1007 CZ2 TRP A 59 -1.691 2.166 1.580 1.00 44.24 C ATOM 1008 CZ3 TRP A 59 -1.198 1.173 3.723 1.00 4.50 C ATOM 1009 CH2 TRP A 59 -1.322 2.291 2.891 1.00 20.34 C ATOM 0 H TRP A 59 -4.050 -4.185 0.449 1.00 34.52 H new ATOM 0 HA TRP A 59 -1.391 -3.402 -0.389 1.00 11.53 H new ATOM 0 HB2 TRP A 59 -3.130 -3.051 2.025 1.00 30.13 H new ATOM 0 HB3 TRP A 59 -1.397 -2.995 2.284 1.00 30.13 H new ATOM 0 HD1 TRP A 59 -2.733 -1.492 -1.002 1.00 50.03 H new ATOM 0 HE1 TRP A 59 -2.482 1.079 -0.951 1.00 12.30 H new ATOM 0 HE3 TRP A 59 -1.350 -0.957 3.900 1.00 10.45 H new ATOM 0 HZ2 TRP A 59 -1.785 3.031 0.941 1.00 44.24 H new ATOM 0 HZ3 TRP A 59 -0.903 1.308 4.753 1.00 4.50 H new ATOM 0 HH2 TRP A 59 -1.122 3.273 3.293 1.00 20.34 H new ATOM 1020 N GLU A 60 -1.919 -5.968 1.654 1.00 64.02 N ATOM 1021 CA GLU A 60 -1.302 -7.175 2.238 1.00 11.50 C ATOM 1022 C GLU A 60 -0.814 -8.140 1.153 1.00 31.21 C ATOM 1023 O GLU A 60 0.241 -8.765 1.297 1.00 2.33 O ATOM 1024 CB GLU A 60 -2.285 -7.906 3.170 1.00 15.25 C ATOM 1025 CG GLU A 60 -2.796 -7.060 4.325 1.00 64.33 C ATOM 1026 CD GLU A 60 -3.445 -7.890 5.415 1.00 71.32 C ATOM 1027 OE1 GLU A 60 -4.645 -8.210 5.283 1.00 12.21 O ATOM 1028 OE2 GLU A 60 -2.753 -8.221 6.400 1.00 23.02 O ATOM 0 H GLU A 60 -2.918 -5.880 1.839 1.00 64.02 H new ATOM 0 HA GLU A 60 -0.442 -6.841 2.819 1.00 11.50 H new ATOM 0 HB2 GLU A 60 -3.136 -8.251 2.583 1.00 15.25 H new ATOM 0 HB3 GLU A 60 -1.795 -8.792 3.573 1.00 15.25 H new ATOM 0 HG2 GLU A 60 -1.967 -6.494 4.750 1.00 64.33 H new ATOM 0 HG3 GLU A 60 -3.517 -6.335 3.948 1.00 64.33 H new ATOM 1035 N GLU A 61 -1.598 -8.250 0.072 1.00 13.22 N ATOM 1036 CA GLU A 61 -1.267 -9.126 -1.059 1.00 4.04 C ATOM 1037 C GLU A 61 -0.319 -8.439 -2.051 1.00 23.14 C ATOM 1038 O GLU A 61 0.417 -9.114 -2.775 1.00 64.00 O ATOM 1039 CB GLU A 61 -2.542 -9.566 -1.787 1.00 12.20 C ATOM 1040 CG GLU A 61 -3.399 -10.546 -0.998 1.00 33.24 C ATOM 1041 CD GLU A 61 -4.625 -10.998 -1.766 1.00 73.22 C ATOM 1042 OE1 GLU A 61 -5.685 -10.352 -1.628 1.00 24.44 O ATOM 1043 OE2 GLU A 61 -4.525 -11.999 -2.507 1.00 21.23 O ATOM 0 H GLU A 61 -2.473 -7.738 -0.043 1.00 13.22 H new ATOM 0 HA GLU A 61 -0.759 -10.001 -0.653 1.00 4.04 H new ATOM 0 HB2 GLU A 61 -3.138 -8.684 -2.020 1.00 12.20 H new ATOM 0 HB3 GLU A 61 -2.266 -10.024 -2.737 1.00 12.20 H new ATOM 0 HG2 GLU A 61 -2.799 -11.417 -0.734 1.00 33.24 H new ATOM 0 HG3 GLU A 61 -3.712 -10.079 -0.064 1.00 33.24 H new ATOM 1050 N GLY A 62 -0.345 -7.096 -2.068 1.00 2.32 N ATOM 1051 CA GLY A 62 0.498 -6.325 -2.977 1.00 34.53 C ATOM 1052 C GLY A 62 1.876 -6.003 -2.413 1.00 41.44 C ATOM 1053 O GLY A 62 2.882 -6.170 -3.109 1.00 71.54 O ATOM 0 H GLY A 62 -0.940 -6.530 -1.463 1.00 2.32 H new ATOM 0 HA2 GLY A 62 0.617 -6.881 -3.907 1.00 34.53 H new ATOM 0 HA3 GLY A 62 -0.009 -5.393 -3.226 1.00 34.53 H new ATOM 1057 N VAL A 63 1.920 -5.541 -1.151 1.00 13.21 N ATOM 1058 CA VAL A 63 3.184 -5.182 -0.474 1.00 21.10 C ATOM 1059 C VAL A 63 4.108 -6.406 -0.305 1.00 62.21 C ATOM 1060 O VAL A 63 5.331 -6.268 -0.213 1.00 10.30 O ATOM 1061 CB VAL A 63 2.900 -4.508 0.909 1.00 1.44 C ATOM 1062 CG1 VAL A 63 2.607 -5.528 2.013 1.00 73.30 C ATOM 1063 CG2 VAL A 63 4.047 -3.589 1.314 1.00 1.13 C ATOM 0 H VAL A 63 1.090 -5.406 -0.574 1.00 13.21 H new ATOM 0 HA VAL A 63 3.703 -4.464 -1.109 1.00 21.10 H new ATOM 0 HB VAL A 63 1.998 -3.908 0.784 1.00 1.44 H new ATOM 0 HG11 VAL A 63 2.417 -5.005 2.950 1.00 73.30 H new ATOM 0 HG12 VAL A 63 1.730 -6.116 1.742 1.00 73.30 H new ATOM 0 HG13 VAL A 63 3.465 -6.190 2.134 1.00 73.30 H new ATOM 0 HG21 VAL A 63 3.825 -3.133 2.279 1.00 1.13 H new ATOM 0 HG22 VAL A 63 4.968 -4.168 1.390 1.00 1.13 H new ATOM 0 HG23 VAL A 63 4.170 -2.808 0.563 1.00 1.13 H new ATOM 1073 N ALA A 64 3.487 -7.590 -0.270 1.00 31.45 N ATOM 1074 CA ALA A 64 4.200 -8.863 -0.119 1.00 31.03 C ATOM 1075 C ALA A 64 4.901 -9.279 -1.419 1.00 33.41 C ATOM 1076 O ALA A 64 5.695 -10.226 -1.431 1.00 20.51 O ATOM 1077 CB ALA A 64 3.224 -9.942 0.325 1.00 31.20 C ATOM 0 H ALA A 64 2.475 -7.693 -0.346 1.00 31.45 H new ATOM 0 HA ALA A 64 4.972 -8.733 0.639 1.00 31.03 H new ATOM 0 HB1 ALA A 64 3.754 -10.888 0.437 1.00 31.20 H new ATOM 0 HB2 ALA A 64 2.779 -9.660 1.279 1.00 31.20 H new ATOM 0 HB3 ALA A 64 2.439 -10.052 -0.423 1.00 31.20 H new ATOM 1083 N GLN A 65 4.597 -8.553 -2.503 1.00 10.14 N ATOM 1084 CA GLN A 65 5.181 -8.814 -3.822 1.00 4.44 C ATOM 1085 C GLN A 65 6.470 -8.007 -4.027 1.00 1.34 C ATOM 1086 O GLN A 65 7.214 -8.248 -4.983 1.00 54.10 O ATOM 1087 CB GLN A 65 4.169 -8.473 -4.927 1.00 23.01 C ATOM 1088 CG GLN A 65 2.791 -9.100 -4.719 1.00 41.22 C ATOM 1089 CD GLN A 65 1.811 -8.813 -5.847 1.00 21.44 C ATOM 1090 OE1 GLN A 65 2.185 -8.724 -7.019 1.00 10.20 O ATOM 1091 NE2 GLN A 65 0.541 -8.659 -5.490 1.00 4.02 N ATOM 0 H GLN A 65 3.942 -7.771 -2.489 1.00 10.14 H new ATOM 0 HA GLN A 65 5.429 -9.874 -3.876 1.00 4.44 H new ATOM 0 HB2 GLN A 65 4.060 -7.390 -4.984 1.00 23.01 H new ATOM 0 HB3 GLN A 65 4.567 -8.805 -5.886 1.00 23.01 H new ATOM 0 HG2 GLN A 65 2.905 -10.179 -4.614 1.00 41.22 H new ATOM 0 HG3 GLN A 65 2.372 -8.731 -3.783 1.00 41.22 H new ATOM 0 HE21 GLN A 65 0.273 -8.741 -4.509 1.00 4.02 H new ATOM 0 HE22 GLN A 65 -0.167 -8.459 -6.197 1.00 4.02 H new ATOM 1100 N MET A 66 6.722 -7.056 -3.116 1.00 51.30 N ATOM 1101 CA MET A 66 7.914 -6.205 -3.174 1.00 45.42 C ATOM 1102 C MET A 66 8.914 -6.613 -2.093 1.00 14.24 C ATOM 1103 O MET A 66 8.532 -7.196 -1.073 1.00 42.21 O ATOM 1104 CB MET A 66 7.566 -4.712 -3.010 1.00 54.20 C ATOM 1105 CG MET A 66 6.084 -4.385 -2.838 1.00 71.10 C ATOM 1106 SD MET A 66 5.683 -2.674 -3.273 1.00 71.25 S ATOM 1107 CE MET A 66 6.815 -1.753 -2.227 1.00 23.31 C ATOM 0 H MET A 66 6.109 -6.858 -2.325 1.00 51.30 H new ATOM 0 HA MET A 66 8.358 -6.344 -4.160 1.00 45.42 H new ATOM 0 HB2 MET A 66 8.106 -4.326 -2.145 1.00 54.20 H new ATOM 0 HB3 MET A 66 7.937 -4.175 -3.883 1.00 54.20 H new ATOM 0 HG2 MET A 66 5.494 -5.060 -3.458 1.00 71.10 H new ATOM 0 HG3 MET A 66 5.795 -4.569 -1.803 1.00 71.10 H new ATOM 0 HE1 MET A 66 6.628 -0.685 -2.340 1.00 23.31 H new ATOM 0 HE2 MET A 66 6.664 -2.040 -1.186 1.00 23.31 H new ATOM 0 HE3 MET A 66 7.842 -1.974 -2.519 1.00 23.31 H new ATOM 1117 N SER A 67 10.191 -6.287 -2.320 1.00 4.44 N ATOM 1118 CA SER A 67 11.260 -6.615 -1.377 1.00 50.24 C ATOM 1119 C SER A 67 11.751 -5.358 -0.663 1.00 5.23 C ATOM 1120 O SER A 67 11.465 -4.243 -1.100 1.00 51.25 O ATOM 1121 CB SER A 67 12.421 -7.296 -2.110 1.00 21.11 C ATOM 1122 OG SER A 67 12.806 -6.557 -3.258 1.00 40.45 O ATOM 0 H SER A 67 10.508 -5.793 -3.154 1.00 4.44 H new ATOM 0 HA SER A 67 10.863 -7.303 -0.630 1.00 50.24 H new ATOM 0 HB2 SER A 67 13.272 -7.396 -1.436 1.00 21.11 H new ATOM 0 HB3 SER A 67 12.128 -8.304 -2.404 1.00 21.11 H new ATOM 0 HG SER A 67 12.442 -6.986 -4.060 1.00 40.45 H new ATOM 1128 N VAL A 68 12.499 -5.549 0.437 1.00 33.02 N ATOM 1129 CA VAL A 68 13.048 -4.441 1.235 1.00 53.10 C ATOM 1130 C VAL A 68 13.935 -3.529 0.369 1.00 12.43 C ATOM 1131 O VAL A 68 14.911 -3.983 -0.235 1.00 21.20 O ATOM 1132 CB VAL A 68 13.843 -4.980 2.461 1.00 34.11 C ATOM 1133 CG1 VAL A 68 14.561 -3.861 3.210 1.00 30.52 C ATOM 1134 CG2 VAL A 68 12.921 -5.747 3.414 1.00 13.21 C ATOM 0 H VAL A 68 12.739 -6.473 0.797 1.00 33.02 H new ATOM 0 HA VAL A 68 12.212 -3.848 1.607 1.00 53.10 H new ATOM 0 HB VAL A 68 14.601 -5.663 2.077 1.00 34.11 H new ATOM 0 HG11 VAL A 68 15.103 -4.280 4.058 1.00 30.52 H new ATOM 0 HG12 VAL A 68 15.263 -3.366 2.539 1.00 30.52 H new ATOM 0 HG13 VAL A 68 13.830 -3.136 3.569 1.00 30.52 H new ATOM 0 HG21 VAL A 68 13.499 -6.114 4.262 1.00 13.21 H new ATOM 0 HG22 VAL A 68 12.133 -5.083 3.771 1.00 13.21 H new ATOM 0 HG23 VAL A 68 12.474 -6.590 2.888 1.00 13.21 H new ATOM 1144 N GLY A 69 13.563 -2.246 0.324 1.00 54.02 N ATOM 1145 CA GLY A 69 14.290 -1.262 -0.470 1.00 71.34 C ATOM 1146 C GLY A 69 13.730 -1.103 -1.879 1.00 5.22 C ATOM 1147 O GLY A 69 14.311 -0.385 -2.698 1.00 23.21 O ATOM 0 H GLY A 69 12.762 -1.869 0.830 1.00 54.02 H new ATOM 0 HA2 GLY A 69 14.259 -0.298 0.038 1.00 71.34 H new ATOM 0 HA3 GLY A 69 15.338 -1.556 -0.532 1.00 71.34 H new ATOM 1151 N GLN A 70 12.601 -1.775 -2.156 1.00 55.02 N ATOM 1152 CA GLN A 70 11.961 -1.723 -3.472 1.00 4.10 C ATOM 1153 C GLN A 70 10.816 -0.708 -3.496 1.00 65.14 C ATOM 1154 O GLN A 70 10.112 -0.525 -2.498 1.00 64.15 O ATOM 1155 CB GLN A 70 11.433 -3.113 -3.857 1.00 54.10 C ATOM 1156 CG GLN A 70 11.247 -3.311 -5.355 1.00 53.24 C ATOM 1157 CD GLN A 70 10.544 -4.611 -5.696 1.00 75.44 C ATOM 1158 OE1 GLN A 70 9.226 -4.550 -5.844 1.00 62.23 O flip ATOM 1159 NE2 GLN A 70 11.180 -5.656 -5.835 1.00 4.25 N flip ATOM 0 H GLN A 70 12.114 -2.362 -1.479 1.00 55.02 H new ATOM 0 HA GLN A 70 12.711 -1.405 -4.196 1.00 4.10 H new ATOM 0 HB2 GLN A 70 12.124 -3.869 -3.484 1.00 54.10 H new ATOM 0 HB3 GLN A 70 10.479 -3.279 -3.358 1.00 54.10 H new ATOM 0 HG2 GLN A 70 10.673 -2.477 -5.758 1.00 53.24 H new ATOM 0 HG3 GLN A 70 12.222 -3.292 -5.843 1.00 53.24 H new ATOM 0 HE21 GLN A 70 12.193 -5.657 -5.712 1.00 4.25 H new ATOM 0 HE22 GLN A 70 10.694 -6.521 -6.073 1.00 4.25 H new ATOM 1168 N ARG A 71 10.649 -0.058 -4.652 1.00 33.42 N ATOM 1169 CA ARG A 71 9.587 0.926 -4.858 1.00 34.40 C ATOM 1170 C ARG A 71 8.691 0.472 -6.017 1.00 60.34 C ATOM 1171 O ARG A 71 9.120 0.460 -7.176 1.00 3.51 O ATOM 1172 CB ARG A 71 10.197 2.311 -5.140 1.00 73.14 C ATOM 1173 CG ARG A 71 9.254 3.482 -4.872 1.00 14.30 C ATOM 1174 CD ARG A 71 9.044 4.320 -6.124 1.00 71.52 C ATOM 1175 NE ARG A 71 8.089 5.411 -5.901 1.00 3.22 N ATOM 1176 CZ ARG A 71 8.083 6.571 -6.574 1.00 32.00 C ATOM 1177 NH1 ARG A 71 8.980 6.819 -7.527 1.00 54.01 N ATOM 1178 NH2 ARG A 71 7.171 7.489 -6.287 1.00 42.24 N ATOM 0 H ARG A 71 11.245 -0.200 -5.467 1.00 33.42 H new ATOM 0 HA ARG A 71 8.979 1.004 -3.957 1.00 34.40 H new ATOM 0 HB2 ARG A 71 11.091 2.432 -4.528 1.00 73.14 H new ATOM 0 HB3 ARG A 71 10.517 2.349 -6.181 1.00 73.14 H new ATOM 0 HG2 ARG A 71 8.294 3.105 -4.519 1.00 14.30 H new ATOM 0 HG3 ARG A 71 9.663 4.107 -4.078 1.00 14.30 H new ATOM 0 HD2 ARG A 71 9.999 4.734 -6.447 1.00 71.52 H new ATOM 0 HD3 ARG A 71 8.684 3.682 -6.931 1.00 71.52 H new ATOM 0 HE ARG A 71 7.378 5.278 -5.182 1.00 3.22 H new ATOM 0 HH11 ARG A 71 9.687 6.121 -7.756 1.00 54.01 H new ATOM 0 HH12 ARG A 71 8.959 7.707 -8.028 1.00 54.01 H new ATOM 0 HH21 ARG A 71 6.480 7.311 -5.558 1.00 42.24 H new ATOM 0 HH22 ARG A 71 7.160 8.374 -6.795 1.00 42.24 H new ATOM 1192 N ALA A 72 7.451 0.087 -5.688 1.00 5.10 N ATOM 1193 CA ALA A 72 6.494 -0.390 -6.691 1.00 53.23 C ATOM 1194 C ALA A 72 5.113 0.243 -6.513 1.00 61.04 C ATOM 1195 O ALA A 72 4.740 0.627 -5.401 1.00 32.53 O ATOM 1196 CB ALA A 72 6.384 -1.909 -6.622 1.00 53.11 C ATOM 0 H ALA A 72 7.088 0.097 -4.735 1.00 5.10 H new ATOM 0 HA ALA A 72 6.867 -0.092 -7.671 1.00 53.23 H new ATOM 0 HB1 ALA A 72 5.671 -2.257 -7.370 1.00 53.11 H new ATOM 0 HB2 ALA A 72 7.360 -2.354 -6.817 1.00 53.11 H new ATOM 0 HB3 ALA A 72 6.042 -2.204 -5.630 1.00 53.11 H new HETATM 1202 N MLY A 73 4.362 0.346 -7.623 1.00 72.40 N HETATM 1203 CA MLY A 73 3.014 0.915 -7.603 1.00 10.44 C HETATM 1204 CB MLY A 73 2.825 1.899 -8.763 1.00 42.22 C HETATM 1205 CG MLY A 73 1.822 3.019 -8.479 1.00 32.23 C HETATM 1206 CD MLY A 73 1.874 4.124 -9.532 1.00 43.41 C HETATM 1207 CE MLY A 73 1.097 3.755 -10.795 1.00 12.10 C HETATM 1208 NZ MLY A 73 1.299 4.786 -11.827 1.00 24.53 N HETATM 1209 CH1 MLY A 73 0.002 5.372 -12.199 1.00 62.33 C HETATM 1210 CH2 MLY A 73 1.918 4.179 -13.016 1.00 20.10 C HETATM 1211 C MLY A 73 1.962 -0.193 -7.656 1.00 30.22 C HETATM 1212 O MLY A 73 1.991 -1.044 -8.547 1.00 52.40 O HETATM 0 HH23 MLY A 73 2.880 3.745 -12.744 1.00 20.10 H new HETATM 0 HH22 MLY A 73 1.266 3.398 -13.407 1.00 20.10 H new HETATM 0 HH21 MLY A 73 2.067 4.943 -13.779 1.00 20.10 H new HETATM 0 HH13 MLY A 73 -0.651 4.592 -12.590 1.00 62.33 H new HETATM 0 HH12 MLY A 73 -0.458 5.824 -11.321 1.00 62.33 H new HETATM 0 HH11 MLY A 73 0.153 6.135 -12.963 1.00 62.33 H new HETATM 0 HG3 MLY A 73 0.816 2.602 -8.443 1.00 32.23 H new HETATM 0 HG2 MLY A 73 2.026 3.446 -7.497 1.00 32.23 H new HETATM 0 HE3 MLY A 73 1.429 2.786 -11.167 1.00 12.10 H new HETATM 0 HE2 MLY A 73 0.036 3.661 -10.565 1.00 12.10 H new HETATM 0 HD3 MLY A 73 1.466 5.043 -9.112 1.00 43.41 H new HETATM 0 HD2 MLY A 73 2.913 4.326 -9.793 1.00 43.41 H new HETATM 0 HB3 MLY A 73 3.789 2.344 -9.008 1.00 42.22 H new HETATM 0 HB2 MLY A 73 2.496 1.347 -9.643 1.00 42.22 H new HETATM 0 HA MLY A 73 2.887 1.462 -6.669 1.00 10.44 H new HETATM 0 H MLY A 73 5.022 0.624 -8.349 1.00 72.40 H new ATOM 1229 N LEU A 74 1.034 -0.163 -6.693 1.00 74.52 N ATOM 1230 CA LEU A 74 -0.030 -1.169 -6.604 1.00 74.33 C ATOM 1231 C LEU A 74 -1.383 -0.577 -6.985 1.00 30.42 C ATOM 1232 O LEU A 74 -1.780 0.474 -6.474 1.00 24.14 O ATOM 1233 CB LEU A 74 -0.123 -1.779 -5.186 1.00 54.31 C ATOM 1234 CG LEU A 74 1.104 -1.603 -4.279 1.00 51.21 C ATOM 1235 CD1 LEU A 74 0.987 -0.311 -3.483 1.00 53.33 C ATOM 1236 CD2 LEU A 74 1.259 -2.798 -3.345 1.00 45.42 C ATOM 0 H LEU A 74 0.999 0.549 -5.963 1.00 74.52 H new ATOM 0 HA LEU A 74 0.228 -1.959 -7.309 1.00 74.33 H new ATOM 0 HB2 LEU A 74 -0.984 -1.340 -4.682 1.00 54.31 H new ATOM 0 HB3 LEU A 74 -0.322 -2.846 -5.287 1.00 54.31 H new ATOM 0 HG LEU A 74 1.994 -1.546 -4.906 1.00 51.21 H new ATOM 0 HD11 LEU A 74 1.862 -0.197 -2.844 1.00 53.33 H new ATOM 0 HD12 LEU A 74 0.926 0.534 -4.168 1.00 53.33 H new ATOM 0 HD13 LEU A 74 0.089 -0.344 -2.866 1.00 53.33 H new ATOM 0 HD21 LEU A 74 2.134 -2.653 -2.711 1.00 45.42 H new ATOM 0 HD22 LEU A 74 0.370 -2.890 -2.721 1.00 45.42 H new ATOM 0 HD23 LEU A 74 1.384 -3.706 -3.934 1.00 45.42 H new ATOM 1248 N THR A 75 -2.077 -1.272 -7.892 1.00 22.43 N ATOM 1249 CA THR A 75 -3.402 -0.868 -8.358 1.00 34.30 C ATOM 1250 C THR A 75 -4.474 -1.611 -7.555 1.00 11.12 C ATOM 1251 O THR A 75 -4.593 -2.838 -7.650 1.00 0.33 O ATOM 1252 CB THR A 75 -3.578 -1.156 -9.873 1.00 53.12 C ATOM 1253 OG1 THR A 75 -2.405 -0.749 -10.589 1.00 4.44 O ATOM 1254 CG2 THR A 75 -4.791 -0.429 -10.450 1.00 22.41 C ATOM 0 H THR A 75 -1.733 -2.131 -8.322 1.00 22.43 H new ATOM 0 HA THR A 75 -3.508 0.206 -8.207 1.00 34.30 H new ATOM 0 HB THR A 75 -3.734 -2.229 -9.985 1.00 53.12 H new ATOM 0 HG1 THR A 75 -2.523 -0.936 -11.544 1.00 4.44 H new ATOM 0 HG21 THR A 75 -4.880 -0.656 -11.512 1.00 22.41 H new ATOM 0 HG22 THR A 75 -5.692 -0.757 -9.932 1.00 22.41 H new ATOM 0 HG23 THR A 75 -4.668 0.646 -10.318 1.00 22.41 H new ATOM 1262 N ILE A 76 -5.239 -0.857 -6.765 1.00 31.12 N ATOM 1263 CA ILE A 76 -6.291 -1.432 -5.931 1.00 1.42 C ATOM 1264 C ILE A 76 -7.667 -1.114 -6.509 1.00 60.35 C ATOM 1265 O ILE A 76 -7.899 -0.022 -7.034 1.00 13.12 O ATOM 1266 CB ILE A 76 -6.205 -0.928 -4.451 1.00 70.02 C ATOM 1267 CG1 ILE A 76 -4.731 -0.891 -3.941 1.00 70.21 C ATOM 1268 CG2 ILE A 76 -7.093 -1.769 -3.521 1.00 75.11 C ATOM 1269 CD1 ILE A 76 -4.015 -2.237 -3.843 1.00 11.52 C ATOM 0 H ILE A 76 -5.148 0.156 -6.686 1.00 31.12 H new ATOM 0 HA ILE A 76 -6.143 -2.512 -5.926 1.00 1.42 H new ATOM 0 HB ILE A 76 -6.582 0.095 -4.435 1.00 70.02 H new ATOM 0 HG12 ILE A 76 -4.156 -0.245 -4.604 1.00 70.21 H new ATOM 0 HG13 ILE A 76 -4.722 -0.426 -2.955 1.00 70.21 H new ATOM 0 HG21 ILE A 76 -7.010 -1.393 -2.501 1.00 75.11 H new ATOM 0 HG22 ILE A 76 -8.130 -1.702 -3.850 1.00 75.11 H new ATOM 0 HG23 ILE A 76 -6.769 -2.809 -3.552 1.00 75.11 H new ATOM 0 HD11 ILE A 76 -3.000 -2.083 -3.478 1.00 11.52 H new ATOM 0 HD12 ILE A 76 -4.554 -2.887 -3.154 1.00 11.52 H new ATOM 0 HD13 ILE A 76 -3.980 -2.703 -4.828 1.00 11.52 H new ATOM 1281 N SER A 77 -8.559 -2.093 -6.400 1.00 11.11 N ATOM 1282 CA SER A 77 -9.931 -1.973 -6.889 1.00 42.11 C ATOM 1283 C SER A 77 -10.906 -1.759 -5.722 1.00 43.15 C ATOM 1284 O SER A 77 -10.548 -2.032 -4.574 1.00 74.23 O ATOM 1285 CB SER A 77 -10.322 -3.228 -7.690 1.00 53.42 C ATOM 1286 OG SER A 77 -9.582 -4.367 -7.281 1.00 32.12 O ATOM 0 H SER A 77 -8.352 -2.994 -5.970 1.00 11.11 H new ATOM 0 HA SER A 77 -9.988 -1.105 -7.546 1.00 42.11 H new ATOM 0 HB2 SER A 77 -11.387 -3.422 -7.564 1.00 53.42 H new ATOM 0 HB3 SER A 77 -10.154 -3.048 -8.752 1.00 53.42 H new ATOM 0 HG SER A 77 -8.655 -4.281 -7.586 1.00 32.12 H new ATOM 1292 N PRO A 78 -12.162 -1.268 -5.986 1.00 14.41 N ATOM 1293 CA PRO A 78 -13.165 -1.035 -4.922 1.00 50.11 C ATOM 1294 C PRO A 78 -13.590 -2.322 -4.197 1.00 62.43 C ATOM 1295 O PRO A 78 -14.198 -2.262 -3.132 1.00 15.12 O ATOM 1296 CB PRO A 78 -14.358 -0.415 -5.667 1.00 32.31 C ATOM 1297 CG PRO A 78 -14.176 -0.800 -7.095 1.00 23.43 C ATOM 1298 CD PRO A 78 -12.697 -0.898 -7.318 1.00 55.53 C ATOM 0 HA PRO A 78 -12.761 -0.399 -4.135 1.00 50.11 H new ATOM 0 HB2 PRO A 78 -15.304 -0.791 -5.276 1.00 32.31 H new ATOM 0 HB3 PRO A 78 -14.373 0.669 -5.551 1.00 32.31 H new ATOM 0 HG2 PRO A 78 -14.665 -1.751 -7.307 1.00 23.43 H new ATOM 0 HG3 PRO A 78 -14.621 -0.058 -7.758 1.00 23.43 H new ATOM 0 HD2 PRO A 78 -12.455 -1.650 -8.069 1.00 55.53 H new ATOM 0 HD3 PRO A 78 -12.282 0.047 -7.667 1.00 55.53 H new ATOM 1306 N ASP A 79 -13.254 -3.477 -4.791 1.00 12.13 N ATOM 1307 CA ASP A 79 -13.572 -4.787 -4.212 1.00 63.51 C ATOM 1308 C ASP A 79 -12.491 -5.218 -3.215 1.00 41.14 C ATOM 1309 O ASP A 79 -12.769 -5.958 -2.266 1.00 2.04 O ATOM 1310 CB ASP A 79 -13.700 -5.831 -5.323 1.00 74.51 C ATOM 1311 CG ASP A 79 -14.716 -6.910 -4.997 1.00 73.03 C ATOM 1312 OD1 ASP A 79 -15.902 -6.735 -5.351 1.00 41.30 O ATOM 1313 OD2 ASP A 79 -14.326 -7.929 -4.390 1.00 45.33 O ATOM 0 H ASP A 79 -12.757 -3.528 -5.681 1.00 12.13 H new ATOM 0 HA ASP A 79 -14.520 -4.707 -3.680 1.00 63.51 H new ATOM 0 HB2 ASP A 79 -13.987 -5.336 -6.251 1.00 74.51 H new ATOM 0 HB3 ASP A 79 -12.728 -6.293 -5.496 1.00 74.51 H new ATOM 1318 N TYR A 80 -11.262 -4.743 -3.449 1.00 23.22 N ATOM 1319 CA TYR A 80 -10.117 -5.054 -2.584 1.00 53.15 C ATOM 1320 C TYR A 80 -9.820 -3.911 -1.612 1.00 65.53 C ATOM 1321 O TYR A 80 -9.157 -4.118 -0.592 1.00 12.33 O ATOM 1322 CB TYR A 80 -8.866 -5.340 -3.426 1.00 14.24 C ATOM 1323 CG TYR A 80 -8.674 -6.803 -3.778 1.00 54.54 C ATOM 1324 CD1 TYR A 80 -7.595 -7.519 -3.270 1.00 24.12 C ATOM 1325 CD2 TYR A 80 -9.568 -7.469 -4.613 1.00 35.12 C ATOM 1326 CE1 TYR A 80 -7.415 -8.852 -3.583 1.00 2.42 C ATOM 1327 CE2 TYR A 80 -9.392 -8.801 -4.928 1.00 30.14 C ATOM 1328 CZ TYR A 80 -8.315 -9.489 -4.411 1.00 23.34 C ATOM 1329 OH TYR A 80 -8.137 -10.817 -4.723 1.00 73.03 O ATOM 0 H TYR A 80 -11.034 -4.137 -4.237 1.00 23.22 H new ATOM 0 HA TYR A 80 -10.380 -5.941 -2.008 1.00 53.15 H new ATOM 0 HB2 TYR A 80 -8.922 -4.761 -4.348 1.00 14.24 H new ATOM 0 HB3 TYR A 80 -7.988 -4.991 -2.882 1.00 14.24 H new ATOM 0 HD1 TYR A 80 -6.887 -7.025 -2.621 1.00 24.12 H new ATOM 0 HD2 TYR A 80 -10.413 -6.934 -5.021 1.00 35.12 H new ATOM 0 HE1 TYR A 80 -6.572 -9.394 -3.180 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -10.095 -9.302 -5.577 1.00 30.14 H new ATOM 0 HH TYR A 80 -8.859 -11.113 -5.316 1.00 73.03 H new ATOM 1339 N ALA A 81 -10.315 -2.707 -1.938 1.00 54.11 N ATOM 1340 CA ALA A 81 -10.094 -1.518 -1.115 1.00 1.04 C ATOM 1341 C ALA A 81 -11.085 -1.412 0.055 1.00 31.52 C ATOM 1342 O ALA A 81 -10.674 -1.445 1.216 1.00 11.01 O ATOM 1343 CB ALA A 81 -10.147 -0.269 -1.987 1.00 23.45 C ATOM 0 H ALA A 81 -10.875 -2.535 -2.773 1.00 54.11 H new ATOM 0 HA ALA A 81 -9.103 -1.608 -0.670 1.00 1.04 H new ATOM 0 HB1 ALA A 81 -9.982 0.614 -1.369 1.00 23.45 H new ATOM 0 HB2 ALA A 81 -9.373 -0.326 -2.752 1.00 23.45 H new ATOM 0 HB3 ALA A 81 -11.124 -0.200 -2.464 1.00 23.45 H new ATOM 1349 N TYR A 82 -12.387 -1.292 -0.248 1.00 35.34 N ATOM 1350 CA TYR A 82 -13.412 -1.161 0.796 1.00 21.22 C ATOM 1351 C TYR A 82 -14.615 -2.065 0.519 1.00 64.31 C ATOM 1352 O TYR A 82 -15.023 -2.845 1.385 1.00 12.00 O ATOM 1353 CB TYR A 82 -13.865 0.305 0.920 1.00 60.11 C ATOM 1354 CG TYR A 82 -12.756 1.266 1.307 1.00 23.55 C ATOM 1355 CD1 TYR A 82 -11.918 1.819 0.341 1.00 60.20 C ATOM 1356 CD2 TYR A 82 -12.548 1.620 2.634 1.00 2.31 C ATOM 1357 CE1 TYR A 82 -10.907 2.695 0.690 1.00 51.12 C ATOM 1358 CE2 TYR A 82 -11.540 2.496 2.990 1.00 74.54 C ATOM 1359 CZ TYR A 82 -10.723 3.030 2.015 1.00 74.23 C ATOM 1360 OH TYR A 82 -9.718 3.903 2.367 1.00 54.35 O ATOM 0 H TYR A 82 -12.752 -1.283 -1.200 1.00 35.34 H new ATOM 0 HA TYR A 82 -12.967 -1.478 1.739 1.00 21.22 H new ATOM 0 HB2 TYR A 82 -14.292 0.624 -0.031 1.00 60.11 H new ATOM 0 HB3 TYR A 82 -14.660 0.367 1.663 1.00 60.11 H new ATOM 0 HD1 TYR A 82 -12.061 1.559 -0.698 1.00 60.20 H new ATOM 0 HD2 TYR A 82 -13.185 1.204 3.401 1.00 2.31 H new ATOM 0 HE1 TYR A 82 -10.265 3.114 -0.071 1.00 51.12 H new ATOM 0 HE2 TYR A 82 -11.393 2.761 4.027 1.00 74.54 H new ATOM 0 HH TYR A 82 -9.724 4.034 3.338 1.00 54.35 H new ATOM 1370 N GLY A 83 -15.173 -1.949 -0.691 1.00 3.43 N ATOM 1371 CA GLY A 83 -16.325 -2.745 -1.083 1.00 10.01 C ATOM 1372 C GLY A 83 -17.189 -2.030 -2.102 1.00 71.34 C ATOM 1373 O GLY A 83 -16.668 -1.372 -3.007 1.00 23.23 O ATOM 0 H GLY A 83 -14.840 -1.309 -1.412 1.00 3.43 H new ATOM 0 HA2 GLY A 83 -15.986 -3.694 -1.498 1.00 10.01 H new ATOM 0 HA3 GLY A 83 -16.922 -2.978 -0.201 1.00 10.01 H new ATOM 1377 N ALA A 84 -18.508 -2.158 -1.950 1.00 25.11 N ATOM 1378 CA ALA A 84 -19.462 -1.515 -2.856 1.00 33.53 C ATOM 1379 C ALA A 84 -19.974 -0.188 -2.285 1.00 20.43 C ATOM 1380 O ALA A 84 -20.625 0.588 -2.993 1.00 51.55 O ATOM 1381 CB ALA A 84 -20.622 -2.454 -3.150 1.00 43.40 C ATOM 0 H ALA A 84 -18.942 -2.703 -1.205 1.00 25.11 H new ATOM 0 HA ALA A 84 -18.942 -1.292 -3.788 1.00 33.53 H new ATOM 0 HB1 ALA A 84 -21.324 -1.964 -3.825 1.00 43.40 H new ATOM 0 HB2 ALA A 84 -20.244 -3.364 -3.617 1.00 43.40 H new ATOM 0 HB3 ALA A 84 -21.130 -2.708 -2.219 1.00 43.40 H new ATOM 1387 N THR A 85 -19.670 0.062 -1.004 1.00 42.23 N ATOM 1388 CA THR A 85 -20.088 1.288 -0.326 1.00 52.23 C ATOM 1389 C THR A 85 -18.929 2.295 -0.276 1.00 53.03 C ATOM 1390 O THR A 85 -19.043 3.401 -0.812 1.00 62.14 O ATOM 1391 CB THR A 85 -20.599 0.988 1.111 1.00 63.55 C ATOM 1392 OG1 THR A 85 -21.380 -0.214 1.115 1.00 4.10 O ATOM 1393 CG2 THR A 85 -21.448 2.133 1.658 1.00 23.54 C ATOM 0 H THR A 85 -19.132 -0.576 -0.417 1.00 42.23 H new ATOM 0 HA THR A 85 -20.910 1.722 -0.896 1.00 52.23 H new ATOM 0 HB THR A 85 -19.724 0.870 1.750 1.00 63.55 H new ATOM 0 HG1 THR A 85 -21.696 -0.396 2.025 1.00 4.10 H new ATOM 0 HG21 THR A 85 -21.787 1.886 2.664 1.00 23.54 H new ATOM 0 HG22 THR A 85 -20.852 3.045 1.689 1.00 23.54 H new ATOM 0 HG23 THR A 85 -22.312 2.286 1.012 1.00 23.54 H new ATOM 1401 N GLY A 86 -17.818 1.897 0.370 1.00 73.04 N ATOM 1402 CA GLY A 86 -16.644 2.762 0.489 1.00 62.01 C ATOM 1403 C GLY A 86 -16.835 3.900 1.481 1.00 41.14 C ATOM 1404 O GLY A 86 -17.806 3.907 2.244 1.00 62.55 O ATOM 0 H GLY A 86 -17.715 0.985 0.814 1.00 73.04 H new ATOM 0 HA2 GLY A 86 -15.788 2.161 0.796 1.00 62.01 H new ATOM 0 HA3 GLY A 86 -16.407 3.178 -0.490 1.00 62.01 H new ATOM 1408 N HIS A 87 -15.902 4.858 1.464 1.00 12.34 N ATOM 1409 CA HIS A 87 -15.962 6.021 2.350 1.00 52.22 C ATOM 1410 C HIS A 87 -16.596 7.212 1.608 1.00 53.50 C ATOM 1411 O HIS A 87 -16.102 7.601 0.546 1.00 4.31 O ATOM 1412 CB HIS A 87 -14.557 6.386 2.851 1.00 33.04 C ATOM 1413 CG HIS A 87 -14.548 7.151 4.144 1.00 43.33 C ATOM 1414 ND1 HIS A 87 -14.133 6.622 5.346 1.00 62.14 N ATOM 1415 CD2 HIS A 87 -14.910 8.435 4.406 1.00 34.33 C ATOM 1416 CE1 HIS A 87 -14.253 7.576 6.279 1.00 71.03 C ATOM 1417 NE2 HIS A 87 -14.719 8.695 5.760 1.00 2.31 N ATOM 0 H HIS A 87 -15.093 4.848 0.842 1.00 12.34 H new ATOM 0 HA HIS A 87 -16.580 5.775 3.214 1.00 52.22 H new ATOM 0 HB2 HIS A 87 -13.979 5.471 2.978 1.00 33.04 H new ATOM 0 HB3 HIS A 87 -14.053 6.978 2.087 1.00 33.04 H new ATOM 0 HD2 HIS A 87 -15.286 9.140 3.680 1.00 34.33 H new ATOM 0 HE1 HIS A 87 -14.001 7.445 7.321 1.00 71.03 H new ATOM 0 HE2 HIS A 87 -14.902 9.571 6.250 1.00 2.31 H new ATOM 1425 N PRO A 88 -17.694 7.823 2.153 1.00 43.33 N ATOM 1426 CA PRO A 88 -18.375 8.955 1.492 1.00 44.10 C ATOM 1427 C PRO A 88 -17.550 10.250 1.484 1.00 24.12 C ATOM 1428 O PRO A 88 -17.112 10.727 2.537 1.00 52.53 O ATOM 1429 CB PRO A 88 -19.662 9.134 2.311 1.00 3.31 C ATOM 1430 CG PRO A 88 -19.362 8.560 3.655 1.00 11.32 C ATOM 1431 CD PRO A 88 -18.356 7.462 3.436 1.00 31.53 C ATOM 0 HA PRO A 88 -18.549 8.746 0.436 1.00 44.10 H new ATOM 0 HB2 PRO A 88 -19.936 10.186 2.386 1.00 3.31 H new ATOM 0 HB3 PRO A 88 -20.500 8.619 1.842 1.00 3.31 H new ATOM 0 HG2 PRO A 88 -18.963 9.324 4.323 1.00 11.32 H new ATOM 0 HG3 PRO A 88 -20.267 8.170 4.121 1.00 11.32 H new ATOM 0 HD2 PRO A 88 -17.638 7.411 4.254 1.00 31.53 H new ATOM 0 HD3 PRO A 88 -18.838 6.487 3.374 1.00 31.53 H new ATOM 1439 N GLY A 89 -17.342 10.795 0.280 1.00 63.23 N ATOM 1440 CA GLY A 89 -16.587 12.029 0.125 1.00 34.40 C ATOM 1441 C GLY A 89 -15.199 11.819 -0.454 1.00 12.22 C ATOM 1442 O GLY A 89 -14.789 12.553 -1.358 1.00 23.13 O ATOM 0 H GLY A 89 -17.687 10.398 -0.594 1.00 63.23 H new ATOM 0 HA2 GLY A 89 -17.143 12.708 -0.522 1.00 34.40 H new ATOM 0 HA3 GLY A 89 -16.498 12.516 1.096 1.00 34.40 H new ATOM 1446 N ILE A 90 -14.478 10.817 0.064 1.00 11.03 N ATOM 1447 CA ILE A 90 -13.114 10.525 -0.392 1.00 12.54 C ATOM 1448 C ILE A 90 -13.084 9.327 -1.355 1.00 61.23 C ATOM 1449 O ILE A 90 -12.520 9.426 -2.449 1.00 42.54 O ATOM 1450 CB ILE A 90 -12.143 10.259 0.799 1.00 64.12 C ATOM 1451 CG1 ILE A 90 -12.400 11.249 1.947 1.00 73.33 C ATOM 1452 CG2 ILE A 90 -10.684 10.363 0.338 1.00 3.31 C ATOM 1453 CD1 ILE A 90 -12.141 10.670 3.322 1.00 60.20 C ATOM 0 H ILE A 90 -14.816 10.195 0.799 1.00 11.03 H new ATOM 0 HA ILE A 90 -12.774 11.414 -0.923 1.00 12.54 H new ATOM 0 HB ILE A 90 -12.328 9.248 1.163 1.00 64.12 H new ATOM 0 HG12 ILE A 90 -11.767 12.126 1.807 1.00 73.33 H new ATOM 0 HG13 ILE A 90 -13.434 11.590 1.895 1.00 73.33 H new ATOM 0 HG21 ILE A 90 -10.021 10.174 1.183 1.00 3.31 H new ATOM 0 HG22 ILE A 90 -10.496 9.626 -0.443 1.00 3.31 H new ATOM 0 HG23 ILE A 90 -10.497 11.363 -0.054 1.00 3.31 H new ATOM 0 HD11 ILE A 90 -12.344 11.427 4.080 1.00 60.20 H new ATOM 0 HD12 ILE A 90 -12.792 9.811 3.484 1.00 60.20 H new ATOM 0 HD13 ILE A 90 -11.100 10.355 3.394 1.00 60.20 H new ATOM 1465 N ILE A 91 -13.691 8.208 -0.942 1.00 33.14 N ATOM 1466 CA ILE A 91 -13.706 6.987 -1.751 1.00 30.21 C ATOM 1467 C ILE A 91 -15.127 6.685 -2.278 1.00 51.24 C ATOM 1468 O ILE A 91 -15.954 6.131 -1.545 1.00 52.40 O ATOM 1469 CB ILE A 91 -13.157 5.756 -0.949 1.00 70.43 C ATOM 1470 CG1 ILE A 91 -11.846 6.092 -0.178 1.00 74.32 C ATOM 1471 CG2 ILE A 91 -12.951 4.537 -1.859 1.00 53.23 C ATOM 1472 CD1 ILE A 91 -10.680 6.610 -1.021 1.00 2.32 C ATOM 0 H ILE A 91 -14.179 8.125 -0.050 1.00 33.14 H new ATOM 0 HA ILE A 91 -13.047 7.160 -2.602 1.00 30.21 H new ATOM 0 HB ILE A 91 -13.917 5.505 -0.209 1.00 70.43 H new ATOM 0 HG12 ILE A 91 -12.077 6.838 0.582 1.00 74.32 H new ATOM 0 HG13 ILE A 91 -11.517 5.195 0.346 1.00 74.32 H new ATOM 0 HG21 ILE A 91 -12.570 3.703 -1.269 1.00 53.23 H new ATOM 0 HG22 ILE A 91 -13.902 4.256 -2.312 1.00 53.23 H new ATOM 0 HG23 ILE A 91 -12.235 4.785 -2.642 1.00 53.23 H new ATOM 0 HD11 ILE A 91 -9.824 6.809 -0.376 1.00 2.32 H new ATOM 0 HD12 ILE A 91 -10.407 5.861 -1.764 1.00 2.32 H new ATOM 0 HD13 ILE A 91 -10.976 7.530 -1.525 1.00 2.32 H new ATOM 1484 N PRO A 92 -15.439 7.047 -3.561 1.00 65.32 N ATOM 1485 CA PRO A 92 -16.762 6.781 -4.160 1.00 52.13 C ATOM 1486 C PRO A 92 -16.989 5.281 -4.463 1.00 22.44 C ATOM 1487 O PRO A 92 -16.029 4.505 -4.455 1.00 33.23 O ATOM 1488 CB PRO A 92 -16.740 7.605 -5.455 1.00 2.33 C ATOM 1489 CG PRO A 92 -15.303 7.730 -5.812 1.00 52.44 C ATOM 1490 CD PRO A 92 -14.549 7.767 -4.510 1.00 13.45 C ATOM 0 HA PRO A 92 -17.575 7.050 -3.485 1.00 52.13 H new ATOM 0 HB2 PRO A 92 -17.301 7.109 -6.247 1.00 2.33 H new ATOM 0 HB3 PRO A 92 -17.196 8.584 -5.307 1.00 2.33 H new ATOM 0 HG2 PRO A 92 -14.980 6.889 -6.425 1.00 52.44 H new ATOM 0 HG3 PRO A 92 -15.123 8.635 -6.392 1.00 52.44 H new ATOM 0 HD2 PRO A 92 -13.578 7.279 -4.596 1.00 13.45 H new ATOM 0 HD3 PRO A 92 -14.363 8.791 -4.185 1.00 13.45 H new ATOM 1498 N PRO A 93 -18.260 4.849 -4.737 1.00 53.53 N ATOM 1499 CA PRO A 93 -18.572 3.436 -5.032 1.00 52.41 C ATOM 1500 C PRO A 93 -18.147 3.004 -6.442 1.00 70.11 C ATOM 1501 O PRO A 93 -18.236 3.788 -7.391 1.00 21.32 O ATOM 1502 CB PRO A 93 -20.097 3.377 -4.887 1.00 64.31 C ATOM 1503 CG PRO A 93 -20.574 4.754 -5.209 1.00 30.24 C ATOM 1504 CD PRO A 93 -19.481 5.695 -4.771 1.00 73.21 C ATOM 0 HA PRO A 93 -18.034 2.759 -4.368 1.00 52.41 H new ATOM 0 HB2 PRO A 93 -20.529 2.642 -5.566 1.00 64.31 H new ATOM 0 HB3 PRO A 93 -20.386 3.086 -3.877 1.00 64.31 H new ATOM 0 HG2 PRO A 93 -20.771 4.857 -6.276 1.00 30.24 H new ATOM 0 HG3 PRO A 93 -21.507 4.973 -4.690 1.00 30.24 H new ATOM 0 HD2 PRO A 93 -19.370 6.527 -5.467 1.00 73.21 H new ATOM 0 HD3 PRO A 93 -19.695 6.125 -3.792 1.00 73.21 H new ATOM 1512 N HIS A 94 -17.685 1.741 -6.561 1.00 21.21 N ATOM 1513 CA HIS A 94 -17.234 1.147 -7.846 1.00 45.34 C ATOM 1514 C HIS A 94 -16.117 1.986 -8.505 1.00 60.20 C ATOM 1515 O HIS A 94 -16.102 2.186 -9.727 1.00 61.45 O ATOM 1516 CB HIS A 94 -18.423 0.959 -8.817 1.00 53.42 C ATOM 1517 CG HIS A 94 -19.507 0.069 -8.285 1.00 13.53 C ATOM 1518 ND1 HIS A 94 -19.473 -1.307 -8.347 1.00 25.22 N ATOM 1519 CD2 HIS A 94 -20.673 0.387 -7.665 1.00 61.31 C ATOM 1520 CE1 HIS A 94 -20.594 -1.771 -7.776 1.00 14.10 C ATOM 1521 NE2 HIS A 94 -21.355 -0.783 -7.346 1.00 70.34 N ATOM 0 H HIS A 94 -17.613 1.101 -5.770 1.00 21.21 H new ATOM 0 HA HIS A 94 -16.817 0.166 -7.620 1.00 45.34 H new ATOM 0 HB2 HIS A 94 -18.849 1.935 -9.048 1.00 53.42 H new ATOM 0 HB3 HIS A 94 -18.052 0.543 -9.754 1.00 53.42 H new ATOM 0 HD2 HIS A 94 -21.016 1.389 -7.453 1.00 61.31 H new ATOM 0 HE1 HIS A 94 -20.842 -2.818 -7.681 1.00 14.10 H new ATOM 0 HE2 HIS A 94 -22.257 -0.861 -6.877 1.00 70.34 H new ATOM 1529 N ALA A 95 -15.175 2.453 -7.676 1.00 4.51 N ATOM 1530 CA ALA A 95 -14.062 3.276 -8.145 1.00 71.05 C ATOM 1531 C ALA A 95 -12.715 2.660 -7.792 1.00 4.34 C ATOM 1532 O ALA A 95 -12.479 2.251 -6.652 1.00 71.42 O ATOM 1533 CB ALA A 95 -14.173 4.680 -7.568 1.00 13.05 C ATOM 0 H ALA A 95 -15.165 2.272 -6.672 1.00 4.51 H new ATOM 0 HA ALA A 95 -14.121 3.329 -9.232 1.00 71.05 H new ATOM 0 HB1 ALA A 95 -13.339 5.286 -7.923 1.00 13.05 H new ATOM 0 HB2 ALA A 95 -15.112 5.132 -7.888 1.00 13.05 H new ATOM 0 HB3 ALA A 95 -14.147 4.629 -6.479 1.00 13.05 H new ATOM 1539 N THR A 96 -11.843 2.607 -8.802 1.00 34.22 N ATOM 1540 CA THR A 96 -10.486 2.064 -8.673 1.00 13.14 C ATOM 1541 C THR A 96 -9.537 3.104 -8.060 1.00 22.22 C ATOM 1542 O THR A 96 -9.633 4.298 -8.362 1.00 73.11 O ATOM 1543 CB THR A 96 -9.955 1.609 -10.057 1.00 32.40 C ATOM 1544 OG1 THR A 96 -10.965 0.859 -10.743 1.00 74.25 O ATOM 1545 CG2 THR A 96 -8.697 0.750 -9.937 1.00 64.35 C ATOM 0 H THR A 96 -12.060 2.942 -9.741 1.00 34.22 H new ATOM 0 HA THR A 96 -10.527 1.201 -8.008 1.00 13.14 H new ATOM 0 HB THR A 96 -9.700 2.509 -10.616 1.00 32.40 H new ATOM 0 HG1 THR A 96 -11.386 1.424 -11.424 1.00 74.25 H new ATOM 0 HG21 THR A 96 -8.362 0.455 -10.931 1.00 64.35 H new ATOM 0 HG22 THR A 96 -7.911 1.322 -9.444 1.00 64.35 H new ATOM 0 HG23 THR A 96 -8.919 -0.141 -9.350 1.00 64.35 H new ATOM 1553 N LEU A 97 -8.628 2.627 -7.203 1.00 71.52 N ATOM 1554 CA LEU A 97 -7.661 3.488 -6.524 1.00 52.44 C ATOM 1555 C LEU A 97 -6.227 3.075 -6.858 1.00 25.12 C ATOM 1556 O LEU A 97 -5.960 1.906 -7.152 1.00 65.13 O ATOM 1557 CB LEU A 97 -7.880 3.425 -5.005 1.00 65.44 C ATOM 1558 CG LEU A 97 -9.306 3.735 -4.524 1.00 4.14 C ATOM 1559 CD1 LEU A 97 -9.630 2.935 -3.275 1.00 14.14 C ATOM 1560 CD2 LEU A 97 -9.483 5.223 -4.264 1.00 45.25 C ATOM 0 H LEU A 97 -8.544 1.639 -6.963 1.00 71.52 H new ATOM 0 HA LEU A 97 -7.813 4.510 -6.872 1.00 52.44 H new ATOM 0 HB2 LEU A 97 -7.608 2.428 -4.658 1.00 65.44 H new ATOM 0 HB3 LEU A 97 -7.195 4.126 -4.528 1.00 65.44 H new ATOM 0 HG LEU A 97 -10.000 3.445 -5.313 1.00 4.14 H new ATOM 0 HD11 LEU A 97 -10.644 3.166 -2.947 1.00 14.14 H new ATOM 0 HD12 LEU A 97 -9.554 1.870 -3.495 1.00 14.14 H new ATOM 0 HD13 LEU A 97 -8.925 3.193 -2.484 1.00 14.14 H new ATOM 0 HD21 LEU A 97 -10.501 5.415 -3.925 1.00 45.25 H new ATOM 0 HD22 LEU A 97 -8.778 5.545 -3.497 1.00 45.25 H new ATOM 0 HD23 LEU A 97 -9.297 5.778 -5.184 1.00 45.25 H new ATOM 1572 N VAL A 98 -5.316 4.051 -6.805 1.00 33.31 N ATOM 1573 CA VAL A 98 -3.893 3.825 -7.090 1.00 60.04 C ATOM 1574 C VAL A 98 -3.064 4.171 -5.849 1.00 55.00 C ATOM 1575 O VAL A 98 -3.261 5.225 -5.243 1.00 63.34 O ATOM 1576 CB VAL A 98 -3.404 4.674 -8.308 1.00 0.44 C ATOM 1577 CG1 VAL A 98 -1.976 4.312 -8.715 1.00 51.44 C ATOM 1578 CG2 VAL A 98 -4.337 4.512 -9.506 1.00 72.32 C ATOM 0 H VAL A 98 -5.541 5.016 -6.565 1.00 33.31 H new ATOM 0 HA VAL A 98 -3.762 2.774 -7.346 1.00 60.04 H new ATOM 0 HB VAL A 98 -3.416 5.716 -7.989 1.00 0.44 H new ATOM 0 HG11 VAL A 98 -1.674 4.924 -9.565 1.00 51.44 H new ATOM 0 HG12 VAL A 98 -1.302 4.494 -7.878 1.00 51.44 H new ATOM 0 HG13 VAL A 98 -1.933 3.259 -8.993 1.00 51.44 H new ATOM 0 HG21 VAL A 98 -3.970 5.115 -10.337 1.00 72.32 H new ATOM 0 HG22 VAL A 98 -4.368 3.464 -9.804 1.00 72.32 H new ATOM 0 HG23 VAL A 98 -5.340 4.842 -9.234 1.00 72.32 H new ATOM 1588 N PHE A 99 -2.148 3.271 -5.480 1.00 53.41 N ATOM 1589 CA PHE A 99 -1.285 3.473 -4.315 1.00 43.43 C ATOM 1590 C PHE A 99 0.167 3.160 -4.649 1.00 54.24 C ATOM 1591 O PHE A 99 0.460 2.128 -5.260 1.00 52.42 O ATOM 1592 CB PHE A 99 -1.741 2.594 -3.146 1.00 34.44 C ATOM 1593 CG PHE A 99 -3.044 3.017 -2.530 1.00 35.13 C ATOM 1594 CD1 PHE A 99 -3.079 3.967 -1.522 1.00 2.50 C ATOM 1595 CD2 PHE A 99 -4.233 2.455 -2.958 1.00 32.20 C ATOM 1596 CE1 PHE A 99 -4.280 4.349 -0.953 1.00 43.45 C ATOM 1597 CE2 PHE A 99 -5.437 2.831 -2.395 1.00 71.30 C ATOM 1598 CZ PHE A 99 -5.461 3.779 -1.391 1.00 42.42 C ATOM 0 H PHE A 99 -1.986 2.393 -5.974 1.00 53.41 H new ATOM 0 HA PHE A 99 -1.361 4.521 -4.027 1.00 43.43 H new ATOM 0 HB2 PHE A 99 -1.833 1.565 -3.494 1.00 34.44 H new ATOM 0 HB3 PHE A 99 -0.969 2.602 -2.377 1.00 34.44 H new ATOM 0 HD1 PHE A 99 -2.158 4.414 -1.177 1.00 2.50 H new ATOM 0 HD2 PHE A 99 -4.220 1.713 -3.742 1.00 32.20 H new ATOM 0 HE1 PHE A 99 -4.295 5.091 -0.168 1.00 43.45 H new ATOM 0 HE2 PHE A 99 -6.358 2.384 -2.739 1.00 71.30 H new ATOM 0 HZ PHE A 99 -6.401 4.075 -0.949 1.00 42.42 H new ATOM 1608 N ASP A 100 1.066 4.062 -4.249 1.00 61.54 N ATOM 1609 CA ASP A 100 2.497 3.890 -4.484 1.00 40.34 C ATOM 1610 C ASP A 100 3.237 3.763 -3.148 1.00 51.50 C ATOM 1611 O ASP A 100 3.445 4.758 -2.441 1.00 33.42 O ATOM 1612 CB ASP A 100 3.045 5.065 -5.311 1.00 33.13 C ATOM 1613 CG ASP A 100 4.344 4.731 -6.025 1.00 31.24 C ATOM 1614 OD1 ASP A 100 5.416 4.856 -5.397 1.00 54.54 O ATOM 1615 OD2 ASP A 100 4.288 4.345 -7.212 1.00 62.02 O ATOM 0 H ASP A 100 0.824 4.923 -3.758 1.00 61.54 H new ATOM 0 HA ASP A 100 2.658 2.974 -5.052 1.00 40.34 H new ATOM 0 HB2 ASP A 100 2.298 5.364 -6.047 1.00 33.13 H new ATOM 0 HB3 ASP A 100 3.207 5.920 -4.655 1.00 33.13 H new ATOM 1620 N VAL A 101 3.612 2.525 -2.802 1.00 2.04 N ATOM 1621 CA VAL A 101 4.328 2.257 -1.552 1.00 60.42 C ATOM 1622 C VAL A 101 5.801 1.951 -1.816 1.00 12.12 C ATOM 1623 O VAL A 101 6.162 1.472 -2.896 1.00 50.32 O ATOM 1624 CB VAL A 101 3.687 1.099 -0.715 1.00 11.15 C ATOM 1625 CG1 VAL A 101 2.230 1.401 -0.384 1.00 31.41 C ATOM 1626 CG2 VAL A 101 3.792 -0.259 -1.413 1.00 41.23 C ATOM 0 H VAL A 101 3.431 1.697 -3.369 1.00 2.04 H new ATOM 0 HA VAL A 101 4.248 3.169 -0.960 1.00 60.42 H new ATOM 0 HB VAL A 101 4.259 1.039 0.211 1.00 11.15 H new ATOM 0 HG11 VAL A 101 1.811 0.580 0.197 1.00 31.41 H new ATOM 0 HG12 VAL A 101 2.172 2.322 0.195 1.00 31.41 H new ATOM 0 HG13 VAL A 101 1.664 1.517 -1.308 1.00 31.41 H new ATOM 0 HG21 VAL A 101 3.332 -1.025 -0.789 1.00 41.23 H new ATOM 0 HG22 VAL A 101 3.277 -0.215 -2.373 1.00 41.23 H new ATOM 0 HG23 VAL A 101 4.842 -0.505 -1.575 1.00 41.23 H new ATOM 1636 N GLU A 102 6.633 2.232 -0.817 1.00 33.11 N ATOM 1637 CA GLU A 102 8.070 1.982 -0.907 1.00 1.22 C ATOM 1638 C GLU A 102 8.547 1.207 0.317 1.00 51.22 C ATOM 1639 O GLU A 102 8.336 1.636 1.454 1.00 12.21 O ATOM 1640 CB GLU A 102 8.868 3.295 -1.079 1.00 41.11 C ATOM 1641 CG GLU A 102 8.563 4.387 -0.054 1.00 34.12 C ATOM 1642 CD GLU A 102 9.393 5.637 -0.269 1.00 72.23 C ATOM 1643 OE1 GLU A 102 10.497 5.723 0.310 1.00 62.13 O ATOM 1644 OE2 GLU A 102 8.940 6.529 -1.016 1.00 41.33 O ATOM 0 H GLU A 102 6.335 2.636 0.071 1.00 33.11 H new ATOM 0 HA GLU A 102 8.252 1.377 -1.796 1.00 1.22 H new ATOM 0 HB2 GLU A 102 9.932 3.063 -1.031 1.00 41.11 H new ATOM 0 HB3 GLU A 102 8.673 3.691 -2.076 1.00 41.11 H new ATOM 0 HG2 GLU A 102 7.505 4.644 -0.107 1.00 34.12 H new ATOM 0 HG3 GLU A 102 8.748 4.001 0.948 1.00 34.12 H new ATOM 1651 N LEU A 103 9.207 0.073 0.062 1.00 24.24 N ATOM 1652 CA LEU A 103 9.726 -0.803 1.117 1.00 4.34 C ATOM 1653 C LEU A 103 10.955 -0.168 1.789 1.00 3.51 C ATOM 1654 O LEU A 103 12.055 -0.177 1.227 1.00 64.00 O ATOM 1655 CB LEU A 103 10.103 -2.166 0.491 1.00 3.14 C ATOM 1656 CG LEU A 103 9.592 -3.466 1.168 1.00 43.24 C ATOM 1657 CD1 LEU A 103 9.989 -3.559 2.638 1.00 32.51 C ATOM 1658 CD2 LEU A 103 8.085 -3.624 1.005 1.00 21.32 C ATOM 0 H LEU A 103 9.397 -0.264 -0.882 1.00 24.24 H new ATOM 0 HA LEU A 103 8.961 -0.946 1.880 1.00 4.34 H new ATOM 0 HB2 LEU A 103 9.745 -2.167 -0.538 1.00 3.14 H new ATOM 0 HB3 LEU A 103 11.191 -2.221 0.450 1.00 3.14 H new ATOM 0 HG LEU A 103 10.082 -4.292 0.652 1.00 43.24 H new ATOM 0 HD11 LEU A 103 9.605 -4.488 3.060 1.00 32.51 H new ATOM 0 HD12 LEU A 103 11.076 -3.543 2.723 1.00 32.51 H new ATOM 0 HD13 LEU A 103 9.570 -2.713 3.182 1.00 32.51 H new ATOM 0 HD21 LEU A 103 7.761 -4.544 1.491 1.00 21.32 H new ATOM 0 HD22 LEU A 103 7.578 -2.774 1.463 1.00 21.32 H new ATOM 0 HD23 LEU A 103 7.836 -3.666 -0.055 1.00 21.32 H new ATOM 1670 N LEU A 104 10.752 0.416 2.979 1.00 4.14 N ATOM 1671 CA LEU A 104 11.837 1.066 3.715 1.00 44.13 C ATOM 1672 C LEU A 104 12.556 0.083 4.649 1.00 0.54 C ATOM 1673 O LEU A 104 13.769 -0.111 4.525 1.00 14.41 O ATOM 1674 CB LEU A 104 11.297 2.277 4.503 1.00 71.51 C ATOM 1675 CG LEU A 104 10.429 3.261 3.698 1.00 54.14 C ATOM 1676 CD1 LEU A 104 9.505 4.040 4.618 1.00 73.51 C ATOM 1677 CD2 LEU A 104 11.294 4.217 2.886 1.00 62.23 C ATOM 0 H LEU A 104 9.847 0.450 3.448 1.00 4.14 H new ATOM 0 HA LEU A 104 12.570 1.418 2.990 1.00 44.13 H new ATOM 0 HB2 LEU A 104 10.711 1.908 5.345 1.00 71.51 H new ATOM 0 HB3 LEU A 104 12.143 2.824 4.919 1.00 71.51 H new ATOM 0 HG LEU A 104 9.821 2.679 3.006 1.00 54.14 H new ATOM 0 HD11 LEU A 104 8.901 4.729 4.028 1.00 73.51 H new ATOM 0 HD12 LEU A 104 8.852 3.348 5.149 1.00 73.51 H new ATOM 0 HD13 LEU A 104 10.099 4.603 5.338 1.00 73.51 H new ATOM 0 HD21 LEU A 104 10.655 4.901 2.327 1.00 62.23 H new ATOM 0 HD22 LEU A 104 11.935 4.787 3.558 1.00 62.23 H new ATOM 0 HD23 LEU A 104 11.911 3.648 2.191 1.00 62.23 H new HETATM 1689 N MLY A 105 11.802 -0.536 5.580 1.00 1.45 N HETATM 1690 CA MLY A 105 12.362 -1.503 6.547 1.00 43.20 C HETATM 1691 CB MLY A 105 13.383 -0.819 7.492 1.00 74.32 C HETATM 1692 CG MLY A 105 12.808 0.298 8.379 1.00 22.12 C HETATM 1693 CD MLY A 105 13.754 1.492 8.511 1.00 71.52 C HETATM 1694 CE MLY A 105 14.577 1.426 9.794 1.00 2.14 C HETATM 1695 NZ MLY A 105 13.820 2.026 10.907 1.00 24.33 N HETATM 1696 CH1 MLY A 105 14.545 3.199 11.423 1.00 41.55 C HETATM 1697 CH2 MLY A 105 13.663 1.038 11.985 1.00 22.51 C HETATM 1698 C MLY A 105 11.250 -2.190 7.357 1.00 74.02 C HETATM 1699 O MLY A 105 10.129 -1.678 7.439 1.00 23.23 O HETATM 0 HH23 MLY A 105 13.124 0.169 11.607 1.00 22.51 H new HETATM 0 HH22 MLY A 105 14.646 0.728 12.341 1.00 22.51 H new HETATM 0 HH21 MLY A 105 13.103 1.483 12.808 1.00 22.51 H new HETATM 0 HH13 MLY A 105 15.528 2.891 11.779 1.00 41.55 H new HETATM 0 HH12 MLY A 105 14.661 3.934 10.627 1.00 41.55 H new HETATM 0 HH11 MLY A 105 13.983 3.641 12.246 1.00 41.55 H new HETATM 0 HG3 MLY A 105 11.859 0.636 7.962 1.00 22.12 H new HETATM 0 HG2 MLY A 105 12.596 -0.103 9.370 1.00 22.12 H new HETATM 0 HE3 MLY A 105 14.822 0.390 10.026 1.00 2.14 H new HETATM 0 HE2 MLY A 105 15.521 1.954 9.658 1.00 2.14 H new HETATM 0 HD3 MLY A 105 14.423 1.522 7.651 1.00 71.52 H new HETATM 0 HD2 MLY A 105 13.176 2.416 8.497 1.00 71.52 H new HETATM 0 HB3 MLY A 105 13.825 -1.580 8.135 1.00 74.32 H new HETATM 0 HB2 MLY A 105 14.190 -0.403 6.889 1.00 74.32 H new HETATM 0 HA MLY A 105 12.886 -2.270 5.977 1.00 43.20 H new ATOM 1716 N LEU A 106 11.579 -3.346 7.950 1.00 51.44 N ATOM 1717 CA LEU A 106 10.624 -4.105 8.765 1.00 50.34 C ATOM 1718 C LEU A 106 10.966 -3.970 10.247 1.00 15.14 C ATOM 1719 O LEU A 106 12.133 -3.784 10.607 1.00 24.35 O ATOM 1720 CB LEU A 106 10.598 -5.611 8.386 1.00 64.41 C ATOM 1721 CG LEU A 106 10.824 -6.010 6.898 1.00 43.31 C ATOM 1722 CD1 LEU A 106 10.042 -5.140 5.920 1.00 23.33 C ATOM 1723 CD2 LEU A 106 12.296 -6.033 6.565 1.00 3.23 C ATOM 0 H LEU A 106 12.501 -3.775 7.879 1.00 51.44 H new ATOM 0 HA LEU A 106 9.637 -3.687 8.568 1.00 50.34 H new ATOM 0 HB2 LEU A 106 11.358 -6.115 8.983 1.00 64.41 H new ATOM 0 HB3 LEU A 106 9.633 -6.013 8.693 1.00 64.41 H new ATOM 0 HG LEU A 106 10.429 -7.019 6.782 1.00 43.31 H new ATOM 0 HD11 LEU A 106 10.242 -5.469 4.900 1.00 23.33 H new ATOM 0 HD12 LEU A 106 8.975 -5.228 6.127 1.00 23.33 H new ATOM 0 HD13 LEU A 106 10.348 -4.100 6.033 1.00 23.33 H new ATOM 0 HD21 LEU A 106 12.428 -6.314 5.520 1.00 3.23 H new ATOM 0 HD22 LEU A 106 12.722 -5.044 6.731 1.00 3.23 H new ATOM 0 HD23 LEU A 106 12.802 -6.758 7.203 1.00 3.23 H new ATOM 1735 N GLU A 107 9.939 -4.067 11.097 1.00 12.24 N ATOM 1736 CA GLU A 107 10.115 -3.964 12.547 1.00 25.05 C ATOM 1737 C GLU A 107 9.404 -5.108 13.261 1.00 14.04 C ATOM 1738 O GLU A 107 9.823 -5.539 14.336 1.00 15.01 O ATOM 1739 CB GLU A 107 9.594 -2.620 13.072 1.00 65.53 C ATOM 1740 CG GLU A 107 10.407 -1.417 12.620 1.00 41.44 C ATOM 1741 CD GLU A 107 10.009 -0.142 13.340 1.00 62.30 C ATOM 1742 OE1 GLU A 107 8.935 0.411 13.020 1.00 0.45 O ATOM 1743 OE2 GLU A 107 10.771 0.302 14.224 1.00 25.40 O ATOM 0 H GLU A 107 8.974 -4.217 10.803 1.00 12.24 H new ATOM 0 HA GLU A 107 11.183 -4.028 12.754 1.00 25.05 H new ATOM 0 HB2 GLU A 107 8.562 -2.490 12.746 1.00 65.53 H new ATOM 0 HB3 GLU A 107 9.582 -2.648 14.162 1.00 65.53 H new ATOM 0 HG2 GLU A 107 11.465 -1.612 12.793 1.00 41.44 H new ATOM 0 HG3 GLU A 107 10.279 -1.279 11.546 1.00 41.44 H new TER 1750 GLU A 107