USER MOD reduce.3.24.130724 H: found=0, std=0, add=1123, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1117 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 112 THR OG1 : rot -27:sc= 0.832 USER MOD Set 1.2: A 133 GLN : amide:sc= 0.639 K(o=1.5,f=-8.9!) USER MOD Set 2.1: A 49 GLN : amide:sc= -1.18! X(o=-0.95!,f=-0.89) USER MOD Set 2.2: A 54 HIS : no HE2:sc= 0.226 K(o=-0.95,f=-3.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0141 (180deg=-0.0123) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 94:sc= 0.854 USER MOD Single : A 15 SER OG : rot -159:sc= -0.961 USER MOD Single : A 29 THR OG1 : rot -76:sc= 1.14 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.032 (180deg=-0.269) USER MOD Single : A 48 GLN : amide:sc= -0.0961 X(o=-0.096,f=-0.096) USER MOD Single : A 68 GLN : amide:sc= -0.0915 K(o=-0.092,f=-2.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 73 ASN : amide:sc= -0.105 K(o=-0.1,f=-2.4!) USER MOD Single : A 74 SER OG : rot -32:sc= 0.107 USER MOD Single : A 76 GLN : amide:sc= -0.257 K(o=-0.26,f=-3.7!) USER MOD Single : A 79 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0244) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 69:sc= 1.12 USER MOD Single : A 96 THR OG1 : rot 53:sc= -0.382 USER MOD Single : A 99 MET CE :methyl -130:sc= -0.794 (180deg=-1.22) USER MOD Single : A 104 THR OG1 : rot 71:sc= 1.23 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0.0477 USER MOD Single : A 122 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 130 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-3.7!) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 144 MET CE :methyl 163:sc= -0.0671 (180deg=-0.429) USER MOD Single : A 146 TYR OH : rot -159:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.801 -15.954 -8.203 1.00 0.00 N ATOM 2 CA MET A 1 1.325 -15.501 -9.505 1.00 52.33 C ATOM 3 C MET A 1 0.614 -14.174 -9.367 1.00 50.32 C ATOM 4 O MET A 1 -0.141 -13.968 -8.415 1.00 33.21 O ATOM 5 CB MET A 1 0.369 -16.520 -10.138 1.00 43.25 C ATOM 6 CG MET A 1 1.017 -17.820 -10.550 1.00 45.51 C ATOM 7 SD MET A 1 2.253 -17.582 -11.837 1.00 31.21 S ATOM 8 CE MET A 1 2.747 -19.275 -12.134 1.00 1.24 C ATOM 0 H1 MET A 1 2.840 -15.993 -8.207 1.00 0.00 H new ATOM 0 H2 MET A 1 1.482 -15.292 -7.467 1.00 0.00 H new ATOM 0 H3 MET A 1 1.420 -16.901 -8.005 1.00 0.00 H new ATOM 0 HA MET A 1 2.195 -15.391 -10.153 1.00 52.33 H new ATOM 0 HB2 MET A 1 -0.431 -16.737 -9.430 1.00 43.25 H new ATOM 0 HB3 MET A 1 -0.095 -16.067 -11.014 1.00 43.25 H new ATOM 0 HG2 MET A 1 1.484 -18.283 -9.681 1.00 45.51 H new ATOM 0 HG3 MET A 1 0.251 -18.509 -10.906 1.00 45.51 H new ATOM 0 HE1 MET A 1 3.512 -19.300 -12.910 1.00 1.24 H new ATOM 0 HE2 MET A 1 3.148 -19.704 -11.215 1.00 1.24 H new ATOM 0 HE3 MET A 1 1.883 -19.855 -12.458 1.00 1.24 H new ATOM 18 N PRO A 2 0.871 -13.234 -10.281 1.00 64.13 N ATOM 19 CA PRO A 2 0.159 -11.971 -10.310 1.00 25.41 C ATOM 20 C PRO A 2 -1.234 -12.156 -10.921 1.00 10.14 C ATOM 21 O PRO A 2 -1.369 -12.374 -12.126 1.00 72.23 O ATOM 22 CB PRO A 2 1.031 -11.083 -11.198 1.00 64.52 C ATOM 23 CG PRO A 2 1.771 -12.027 -12.095 1.00 44.43 C ATOM 24 CD PRO A 2 1.897 -13.326 -11.348 1.00 33.03 C ATOM 0 HA PRO A 2 0.002 -11.546 -9.318 1.00 25.41 H new ATOM 0 HB2 PRO A 2 0.423 -10.386 -11.776 1.00 64.52 H new ATOM 0 HB3 PRO A 2 1.720 -10.486 -10.601 1.00 64.52 H new ATOM 0 HG2 PRO A 2 1.234 -12.171 -13.033 1.00 44.43 H new ATOM 0 HG3 PRO A 2 2.754 -11.630 -12.348 1.00 44.43 H new ATOM 0 HD2 PRO A 2 1.717 -14.180 -12.001 1.00 33.03 H new ATOM 0 HD3 PRO A 2 2.896 -13.450 -10.930 1.00 33.03 H new ATOM 32 N GLY A 3 -2.246 -12.129 -10.086 1.00 72.52 N ATOM 33 CA GLY A 3 -3.589 -12.346 -10.551 1.00 3.43 C ATOM 34 C GLY A 3 -4.201 -11.120 -11.161 1.00 62.11 C ATOM 35 O GLY A 3 -4.596 -10.203 -10.458 1.00 14.23 O ATOM 0 H GLY A 3 -2.162 -11.959 -9.084 1.00 72.52 H new ATOM 0 HA2 GLY A 3 -3.588 -13.150 -11.287 1.00 3.43 H new ATOM 0 HA3 GLY A 3 -4.208 -12.678 -9.717 1.00 3.43 H new ATOM 39 N ARG A 4 -4.158 -11.050 -12.460 1.00 63.12 N ATOM 40 CA ARG A 4 -4.832 -10.014 -13.200 1.00 52.23 C ATOM 41 C ARG A 4 -6.336 -10.270 -13.253 1.00 1.23 C ATOM 42 O ARG A 4 -6.776 -11.393 -13.514 1.00 71.13 O ATOM 43 CB ARG A 4 -4.232 -9.870 -14.605 1.00 33.30 C ATOM 44 CG ARG A 4 -5.077 -9.061 -15.584 1.00 51.03 C ATOM 45 CD ARG A 4 -4.319 -8.801 -16.865 1.00 65.15 C ATOM 46 NE ARG A 4 -3.300 -7.765 -16.676 1.00 10.15 N ATOM 47 CZ ARG A 4 -1.987 -7.897 -16.880 1.00 43.43 C ATOM 48 NH1 ARG A 4 -1.452 -9.087 -17.132 1.00 33.13 N ATOM 49 NH2 ARG A 4 -1.202 -6.830 -16.774 1.00 11.04 N ATOM 0 H ARG A 4 -3.650 -11.715 -13.044 1.00 63.12 H new ATOM 0 HA ARG A 4 -4.681 -9.068 -12.679 1.00 52.23 H new ATOM 0 HB2 ARG A 4 -3.252 -9.401 -14.519 1.00 33.30 H new ATOM 0 HB3 ARG A 4 -4.074 -10.865 -15.020 1.00 33.30 H new ATOM 0 HG2 ARG A 4 -5.999 -9.599 -15.805 1.00 51.03 H new ATOM 0 HG3 ARG A 4 -5.363 -8.113 -15.127 1.00 51.03 H new ATOM 0 HD2 ARG A 4 -3.846 -9.723 -17.204 1.00 65.15 H new ATOM 0 HD3 ARG A 4 -5.014 -8.493 -17.646 1.00 65.15 H new ATOM 0 HE ARG A 4 -3.626 -6.853 -16.357 1.00 10.15 H new ATOM 0 HH11 ARG A 4 -2.046 -9.915 -17.172 1.00 33.13 H new ATOM 0 HH12 ARG A 4 -0.447 -9.172 -17.286 1.00 33.13 H new ATOM 0 HH21 ARG A 4 -1.604 -5.922 -16.539 1.00 11.04 H new ATOM 0 HH22 ARG A 4 -0.198 -6.919 -16.928 1.00 11.04 H new ATOM 63 N ALA A 5 -7.101 -9.250 -12.993 1.00 54.33 N ATOM 64 CA ALA A 5 -8.529 -9.297 -13.109 1.00 15.05 C ATOM 65 C ALA A 5 -8.988 -7.954 -13.615 1.00 72.12 C ATOM 66 O ALA A 5 -8.567 -6.935 -13.083 1.00 63.04 O ATOM 67 CB ALA A 5 -9.169 -9.588 -11.759 1.00 11.03 C ATOM 0 H ALA A 5 -6.743 -8.345 -12.689 1.00 54.33 H new ATOM 0 HA ALA A 5 -8.823 -10.092 -13.794 1.00 15.05 H new ATOM 0 HB1 ALA A 5 -10.253 -9.619 -11.869 1.00 11.03 H new ATOM 0 HB2 ALA A 5 -8.814 -10.549 -11.388 1.00 11.03 H new ATOM 0 HB3 ALA A 5 -8.899 -8.804 -11.052 1.00 11.03 H new ATOM 73 N PRO A 6 -9.786 -7.906 -14.678 1.00 24.14 N ATOM 74 CA PRO A 6 -10.309 -6.646 -15.173 1.00 12.00 C ATOM 75 C PRO A 6 -11.376 -6.110 -14.215 1.00 71.54 C ATOM 76 O PRO A 6 -12.489 -6.656 -14.131 1.00 12.02 O ATOM 77 CB PRO A 6 -10.918 -7.002 -16.536 1.00 11.13 C ATOM 78 CG PRO A 6 -11.209 -8.464 -16.465 1.00 75.52 C ATOM 79 CD PRO A 6 -10.233 -9.061 -15.483 1.00 55.01 C ATOM 0 HA PRO A 6 -9.549 -5.869 -15.255 1.00 12.00 H new ATOM 0 HB2 PRO A 6 -11.826 -6.429 -16.724 1.00 11.13 H new ATOM 0 HB3 PRO A 6 -10.226 -6.777 -17.347 1.00 11.13 H new ATOM 0 HG2 PRO A 6 -12.236 -8.638 -16.142 1.00 75.52 H new ATOM 0 HG3 PRO A 6 -11.101 -8.927 -17.446 1.00 75.52 H new ATOM 0 HD2 PRO A 6 -10.706 -9.821 -14.862 1.00 55.01 H new ATOM 0 HD3 PRO A 6 -9.397 -9.540 -15.992 1.00 55.01 H new ATOM 87 N GLY A 7 -11.044 -5.092 -13.471 1.00 64.32 N ATOM 88 CA GLY A 7 -11.945 -4.580 -12.520 1.00 54.40 C ATOM 89 C GLY A 7 -12.373 -3.199 -12.865 1.00 73.54 C ATOM 90 O GLY A 7 -12.069 -2.689 -13.942 1.00 62.40 O ATOM 0 H GLY A 7 -10.147 -4.609 -13.518 1.00 64.32 H new ATOM 0 HA2 GLY A 7 -12.819 -5.229 -12.459 1.00 54.40 H new ATOM 0 HA3 GLY A 7 -11.477 -4.582 -11.536 1.00 54.40 H new ATOM 94 N SER A 8 -13.037 -2.604 -11.959 1.00 11.14 N ATOM 95 CA SER A 8 -13.565 -1.287 -12.105 1.00 51.15 C ATOM 96 C SER A 8 -13.848 -0.781 -10.703 1.00 12.54 C ATOM 97 O SER A 8 -13.852 -1.584 -9.746 1.00 52.33 O ATOM 98 CB SER A 8 -14.858 -1.328 -12.952 1.00 45.55 C ATOM 99 OG SER A 8 -15.306 -0.024 -13.315 1.00 62.31 O ATOM 0 H SER A 8 -13.243 -3.027 -11.054 1.00 11.14 H new ATOM 0 HA SER A 8 -12.866 -0.627 -12.618 1.00 51.15 H new ATOM 0 HB2 SER A 8 -14.681 -1.914 -13.854 1.00 45.55 H new ATOM 0 HB3 SER A 8 -15.642 -1.836 -12.391 1.00 45.55 H new ATOM 0 HG SER A 8 -16.124 -0.096 -13.850 1.00 62.31 H new ATOM 105 N THR A 9 -14.044 0.505 -10.562 1.00 63.33 N ATOM 106 CA THR A 9 -14.352 1.076 -9.289 1.00 11.12 C ATOM 107 C THR A 9 -15.812 0.764 -8.950 1.00 41.15 C ATOM 108 O THR A 9 -16.725 1.109 -9.708 1.00 22.32 O ATOM 109 CB THR A 9 -14.105 2.601 -9.295 1.00 14.55 C ATOM 110 OG1 THR A 9 -12.755 2.853 -9.751 1.00 73.54 O ATOM 111 CG2 THR A 9 -14.279 3.174 -7.890 1.00 51.50 C ATOM 0 H THR A 9 -13.993 1.178 -11.327 1.00 63.33 H new ATOM 0 HA THR A 9 -13.700 0.643 -8.530 1.00 11.12 H new ATOM 0 HB THR A 9 -14.825 3.079 -9.960 1.00 14.55 H new ATOM 0 HG1 THR A 9 -12.761 3.017 -10.717 1.00 73.54 H new ATOM 0 HG21 THR A 9 -14.102 4.249 -7.911 1.00 51.50 H new ATOM 0 HG22 THR A 9 -15.293 2.980 -7.541 1.00 51.50 H new ATOM 0 HG23 THR A 9 -13.566 2.702 -7.214 1.00 51.50 H new ATOM 119 N LEU A 10 -16.003 0.063 -7.856 1.00 40.41 N ATOM 120 CA LEU A 10 -17.316 -0.347 -7.398 1.00 15.04 C ATOM 121 C LEU A 10 -18.173 0.847 -7.005 1.00 0.04 C ATOM 122 O LEU A 10 -17.646 1.908 -6.592 1.00 33.41 O ATOM 123 CB LEU A 10 -17.178 -1.290 -6.210 1.00 0.31 C ATOM 124 CG LEU A 10 -16.439 -2.610 -6.461 1.00 23.33 C ATOM 125 CD1 LEU A 10 -16.373 -3.416 -5.179 1.00 73.31 C ATOM 126 CD2 LEU A 10 -17.122 -3.421 -7.558 1.00 32.44 C ATOM 0 H LEU A 10 -15.243 -0.244 -7.249 1.00 40.41 H new ATOM 0 HA LEU A 10 -17.811 -0.859 -8.223 1.00 15.04 H new ATOM 0 HB2 LEU A 10 -16.662 -0.758 -5.411 1.00 0.31 H new ATOM 0 HB3 LEU A 10 -18.177 -1.524 -5.843 1.00 0.31 H new ATOM 0 HG LEU A 10 -15.427 -2.379 -6.793 1.00 23.33 H new ATOM 0 HD11 LEU A 10 -15.847 -4.352 -5.365 1.00 73.31 H new ATOM 0 HD12 LEU A 10 -15.841 -2.846 -4.418 1.00 73.31 H new ATOM 0 HD13 LEU A 10 -17.384 -3.630 -4.832 1.00 73.31 H new ATOM 0 HD21 LEU A 10 -16.577 -4.352 -7.715 1.00 32.44 H new ATOM 0 HD22 LEU A 10 -18.146 -3.646 -7.260 1.00 32.44 H new ATOM 0 HD23 LEU A 10 -17.132 -2.845 -8.484 1.00 32.44 H new ATOM 138 N ALA A 11 -19.484 0.671 -7.116 1.00 1.40 N ATOM 139 CA ALA A 11 -20.449 1.699 -6.774 1.00 72.42 C ATOM 140 C ALA A 11 -20.351 2.034 -5.298 1.00 13.12 C ATOM 141 O ALA A 11 -19.935 1.190 -4.492 1.00 72.32 O ATOM 142 CB ALA A 11 -21.861 1.259 -7.132 1.00 73.54 C ATOM 0 H ALA A 11 -19.906 -0.196 -7.448 1.00 1.40 H new ATOM 0 HA ALA A 11 -20.221 2.594 -7.353 1.00 72.42 H new ATOM 0 HB1 ALA A 11 -22.566 2.047 -6.866 1.00 73.54 H new ATOM 0 HB2 ALA A 11 -21.921 1.065 -8.203 1.00 73.54 H new ATOM 0 HB3 ALA A 11 -22.109 0.350 -6.584 1.00 73.54 H new ATOM 148 N ARG A 12 -20.720 3.251 -4.969 1.00 3.21 N ATOM 149 CA ARG A 12 -20.603 3.800 -3.621 1.00 52.12 C ATOM 150 C ARG A 12 -21.356 3.006 -2.541 1.00 14.42 C ATOM 151 O ARG A 12 -22.567 3.126 -2.373 1.00 55.12 O ATOM 152 CB ARG A 12 -20.983 5.287 -3.603 1.00 31.40 C ATOM 153 CG ARG A 12 -22.382 5.600 -4.098 1.00 73.55 C ATOM 154 CD ARG A 12 -22.641 7.087 -4.098 1.00 63.15 C ATOM 155 NE ARG A 12 -24.019 7.389 -4.465 1.00 65.42 N ATOM 156 CZ ARG A 12 -24.607 8.582 -4.359 1.00 53.14 C ATOM 157 NH1 ARG A 12 -23.905 9.643 -3.976 1.00 74.15 N ATOM 158 NH2 ARG A 12 -25.893 8.703 -4.652 1.00 34.53 N ATOM 0 H ARG A 12 -21.119 3.908 -5.640 1.00 3.21 H new ATOM 0 HA ARG A 12 -19.551 3.702 -3.352 1.00 52.12 H new ATOM 0 HB2 ARG A 12 -20.884 5.659 -2.583 1.00 31.40 H new ATOM 0 HB3 ARG A 12 -20.267 5.836 -4.214 1.00 31.40 H new ATOM 0 HG2 ARG A 12 -22.511 5.206 -5.106 1.00 73.55 H new ATOM 0 HG3 ARG A 12 -23.115 5.101 -3.465 1.00 73.55 H new ATOM 0 HD2 ARG A 12 -22.429 7.494 -3.109 1.00 63.15 H new ATOM 0 HD3 ARG A 12 -21.962 7.576 -4.797 1.00 63.15 H new ATOM 0 HE ARG A 12 -24.582 6.623 -4.834 1.00 65.42 H new ATOM 0 HH11 ARG A 12 -22.912 9.547 -3.762 1.00 74.15 H new ATOM 0 HH12 ARG A 12 -24.359 10.553 -3.896 1.00 74.15 H new ATOM 0 HH21 ARG A 12 -26.426 7.888 -4.956 1.00 34.53 H new ATOM 0 HH22 ARG A 12 -26.351 9.611 -4.574 1.00 34.53 H new ATOM 172 N VAL A 13 -20.621 2.167 -1.857 1.00 52.12 N ATOM 173 CA VAL A 13 -21.127 1.384 -0.726 1.00 61.41 C ATOM 174 C VAL A 13 -20.192 1.601 0.458 1.00 25.00 C ATOM 175 O VAL A 13 -20.210 0.877 1.461 1.00 51.50 O ATOM 176 CB VAL A 13 -21.198 -0.142 -1.061 1.00 4.23 C ATOM 177 CG1 VAL A 13 -22.210 -0.413 -2.170 1.00 72.11 C ATOM 178 CG2 VAL A 13 -19.823 -0.690 -1.455 1.00 70.13 C ATOM 0 H VAL A 13 -19.637 1.996 -2.062 1.00 52.12 H new ATOM 0 HA VAL A 13 -22.139 1.716 -0.494 1.00 61.41 H new ATOM 0 HB VAL A 13 -21.526 -0.658 -0.159 1.00 4.23 H new ATOM 0 HG11 VAL A 13 -22.239 -1.482 -2.383 1.00 72.11 H new ATOM 0 HG12 VAL A 13 -23.197 -0.080 -1.851 1.00 72.11 H new ATOM 0 HG13 VAL A 13 -21.918 0.128 -3.070 1.00 72.11 H new ATOM 0 HG21 VAL A 13 -19.906 -1.753 -1.682 1.00 70.13 H new ATOM 0 HG22 VAL A 13 -19.458 -0.159 -2.334 1.00 70.13 H new ATOM 0 HG23 VAL A 13 -19.125 -0.549 -0.630 1.00 70.13 H new ATOM 188 N GLY A 14 -19.430 2.658 0.345 1.00 40.45 N ATOM 189 CA GLY A 14 -18.376 2.936 1.278 1.00 43.24 C ATOM 190 C GLY A 14 -17.054 2.784 0.585 1.00 73.34 C ATOM 191 O GLY A 14 -16.054 2.414 1.193 1.00 23.41 O ATOM 0 H GLY A 14 -19.525 3.350 -0.399 1.00 40.45 H new ATOM 0 HA2 GLY A 14 -18.480 3.947 1.672 1.00 43.24 H new ATOM 0 HA3 GLY A 14 -18.436 2.255 2.127 1.00 43.24 H new ATOM 195 N SER A 15 -17.062 3.112 -0.692 1.00 31.04 N ATOM 196 CA SER A 15 -15.939 2.964 -1.577 1.00 2.31 C ATOM 197 C SER A 15 -14.792 3.894 -1.169 1.00 72.35 C ATOM 198 O SER A 15 -15.009 4.935 -0.527 1.00 25.14 O ATOM 199 CB SER A 15 -16.421 3.278 -2.986 1.00 45.24 C ATOM 200 OG SER A 15 -17.627 2.559 -3.249 1.00 42.25 O ATOM 0 H SER A 15 -17.884 3.503 -1.152 1.00 31.04 H new ATOM 0 HA SER A 15 -15.551 1.946 -1.528 1.00 2.31 H new ATOM 0 HB2 SER A 15 -16.593 4.349 -3.093 1.00 45.24 H new ATOM 0 HB3 SER A 15 -15.656 3.004 -3.713 1.00 45.24 H new ATOM 0 HG SER A 15 -17.762 2.489 -4.217 1.00 42.25 H new ATOM 206 N ILE A 16 -13.592 3.510 -1.505 1.00 10.33 N ATOM 207 CA ILE A 16 -12.416 4.273 -1.174 1.00 61.51 C ATOM 208 C ILE A 16 -11.746 4.628 -2.478 1.00 25.34 C ATOM 209 O ILE A 16 -11.670 3.770 -3.365 1.00 65.11 O ATOM 210 CB ILE A 16 -11.377 3.451 -0.294 1.00 65.25 C ATOM 211 CG1 ILE A 16 -12.002 2.865 0.984 1.00 64.33 C ATOM 212 CG2 ILE A 16 -10.167 4.297 0.082 1.00 4.20 C ATOM 213 CD1 ILE A 16 -12.865 1.645 0.760 1.00 0.51 C ATOM 0 H ILE A 16 -13.399 2.652 -2.021 1.00 10.33 H new ATOM 0 HA ILE A 16 -12.718 5.144 -0.593 1.00 61.51 H new ATOM 0 HB ILE A 16 -11.058 2.620 -0.924 1.00 65.25 H new ATOM 0 HG12 ILE A 16 -11.202 2.606 1.678 1.00 64.33 H new ATOM 0 HG13 ILE A 16 -12.604 3.636 1.465 1.00 64.33 H new ATOM 0 HG21 ILE A 16 -9.479 3.702 0.683 1.00 4.20 H new ATOM 0 HG22 ILE A 16 -9.661 4.631 -0.824 1.00 4.20 H new ATOM 0 HG23 ILE A 16 -10.494 5.164 0.656 1.00 4.20 H new ATOM 0 HD11 ILE A 16 -13.263 1.301 1.715 1.00 0.51 H new ATOM 0 HD12 ILE A 16 -13.689 1.900 0.094 1.00 0.51 H new ATOM 0 HD13 ILE A 16 -12.266 0.853 0.310 1.00 0.51 H new ATOM 225 N PRO A 17 -11.330 5.887 -2.671 1.00 74.22 N ATOM 226 CA PRO A 17 -10.557 6.251 -3.845 1.00 44.45 C ATOM 227 C PRO A 17 -9.238 5.483 -3.843 1.00 74.32 C ATOM 228 O PRO A 17 -8.572 5.359 -2.797 1.00 22.41 O ATOM 229 CB PRO A 17 -10.299 7.756 -3.668 1.00 40.44 C ATOM 230 CG PRO A 17 -11.343 8.212 -2.706 1.00 42.02 C ATOM 231 CD PRO A 17 -11.602 7.047 -1.800 1.00 32.24 C ATOM 0 HA PRO A 17 -11.064 6.023 -4.783 1.00 44.45 H new ATOM 0 HB2 PRO A 17 -9.297 7.943 -3.282 1.00 40.44 H new ATOM 0 HB3 PRO A 17 -10.378 8.285 -4.618 1.00 40.44 H new ATOM 0 HG2 PRO A 17 -11.001 9.079 -2.140 1.00 42.02 H new ATOM 0 HG3 PRO A 17 -12.252 8.511 -3.228 1.00 42.02 H new ATOM 0 HD2 PRO A 17 -10.948 7.060 -0.928 1.00 32.24 H new ATOM 0 HD3 PRO A 17 -12.627 7.043 -1.430 1.00 32.24 H new ATOM 239 N ALA A 18 -8.872 4.972 -4.970 1.00 53.23 N ATOM 240 CA ALA A 18 -7.681 4.200 -5.084 1.00 30.41 C ATOM 241 C ALA A 18 -6.648 5.022 -5.787 1.00 44.21 C ATOM 242 O ALA A 18 -6.977 5.774 -6.716 1.00 51.34 O ATOM 243 CB ALA A 18 -7.960 2.916 -5.833 1.00 32.33 C ATOM 0 H ALA A 18 -9.392 5.078 -5.841 1.00 53.23 H new ATOM 0 HA ALA A 18 -7.312 3.929 -4.095 1.00 30.41 H new ATOM 0 HB1 ALA A 18 -7.041 2.335 -5.913 1.00 32.33 H new ATOM 0 HB2 ALA A 18 -8.710 2.337 -5.295 1.00 32.33 H new ATOM 0 HB3 ALA A 18 -8.330 3.150 -6.831 1.00 32.33 H new ATOM 249 N GLY A 19 -5.428 4.907 -5.347 1.00 53.01 N ATOM 250 CA GLY A 19 -4.377 5.695 -5.911 1.00 31.12 C ATOM 251 C GLY A 19 -3.851 5.152 -7.219 1.00 15.20 C ATOM 252 O GLY A 19 -4.526 4.370 -7.918 1.00 70.13 O ATOM 0 H GLY A 19 -5.139 4.275 -4.600 1.00 53.01 H new ATOM 0 HA2 GLY A 19 -4.740 6.711 -6.068 1.00 31.12 H new ATOM 0 HA3 GLY A 19 -3.556 5.757 -5.196 1.00 31.12 H new ATOM 256 N ASP A 20 -2.647 5.523 -7.519 1.00 72.42 N ATOM 257 CA ASP A 20 -2.005 5.164 -8.760 1.00 30.15 C ATOM 258 C ASP A 20 -1.145 3.940 -8.545 1.00 23.52 C ATOM 259 O ASP A 20 -0.472 3.831 -7.516 1.00 3.54 O ATOM 260 CB ASP A 20 -1.167 6.346 -9.258 1.00 53.13 C ATOM 261 CG ASP A 20 -0.427 6.067 -10.544 1.00 53.15 C ATOM 262 OD1 ASP A 20 -1.076 5.968 -11.609 1.00 14.43 O ATOM 263 OD2 ASP A 20 0.822 5.970 -10.514 1.00 75.04 O ATOM 0 H ASP A 20 -2.066 6.093 -6.904 1.00 72.42 H new ATOM 0 HA ASP A 20 -2.754 4.929 -9.516 1.00 30.15 H new ATOM 0 HB2 ASP A 20 -1.820 7.207 -9.404 1.00 53.13 H new ATOM 0 HB3 ASP A 20 -0.447 6.620 -8.487 1.00 53.13 H new ATOM 268 N ASP A 21 -1.212 2.999 -9.472 1.00 21.13 N ATOM 269 CA ASP A 21 -0.441 1.761 -9.384 1.00 5.24 C ATOM 270 C ASP A 21 1.066 2.030 -9.380 1.00 74.24 C ATOM 271 O ASP A 21 1.661 2.347 -10.395 1.00 74.32 O ATOM 272 CB ASP A 21 -0.849 0.724 -10.479 1.00 43.41 C ATOM 273 CG ASP A 21 -0.797 1.249 -11.917 1.00 11.12 C ATOM 274 OD1 ASP A 21 -1.770 1.907 -12.350 1.00 1.24 O ATOM 275 OD2 ASP A 21 0.177 0.982 -12.653 1.00 72.14 O ATOM 0 H ASP A 21 -1.798 3.067 -10.304 1.00 21.13 H new ATOM 0 HA ASP A 21 -0.688 1.307 -8.425 1.00 5.24 H new ATOM 0 HB2 ASP A 21 -0.193 -0.143 -10.400 1.00 43.41 H new ATOM 0 HB3 ASP A 21 -1.861 0.377 -10.271 1.00 43.41 H new ATOM 280 N VAL A 22 1.651 1.967 -8.189 1.00 61.44 N ATOM 281 CA VAL A 22 3.085 2.202 -7.997 1.00 4.03 C ATOM 282 C VAL A 22 3.910 1.089 -8.634 1.00 20.14 C ATOM 283 O VAL A 22 4.959 1.337 -9.245 1.00 45.33 O ATOM 284 CB VAL A 22 3.445 2.341 -6.490 1.00 74.22 C ATOM 285 CG1 VAL A 22 4.941 2.579 -6.293 1.00 44.31 C ATOM 286 CG2 VAL A 22 2.650 3.471 -5.867 1.00 73.04 C ATOM 0 H VAL A 22 1.149 1.752 -7.328 1.00 61.44 H new ATOM 0 HA VAL A 22 3.327 3.143 -8.491 1.00 4.03 H new ATOM 0 HB VAL A 22 3.187 1.404 -5.996 1.00 74.22 H new ATOM 0 HG11 VAL A 22 5.158 2.671 -5.229 1.00 44.31 H new ATOM 0 HG12 VAL A 22 5.500 1.739 -6.706 1.00 44.31 H new ATOM 0 HG13 VAL A 22 5.234 3.496 -6.804 1.00 44.31 H new ATOM 0 HG21 VAL A 22 2.909 3.560 -4.812 1.00 73.04 H new ATOM 0 HG22 VAL A 22 2.884 4.405 -6.378 1.00 73.04 H new ATOM 0 HG23 VAL A 22 1.584 3.262 -5.962 1.00 73.04 H new ATOM 296 N LEU A 23 3.442 -0.130 -8.488 1.00 63.23 N ATOM 297 CA LEU A 23 4.094 -1.247 -9.113 1.00 63.31 C ATOM 298 C LEU A 23 3.603 -1.401 -10.531 1.00 22.41 C ATOM 299 O LEU A 23 2.682 -0.709 -10.943 1.00 73.13 O ATOM 300 CB LEU A 23 3.928 -2.565 -8.298 1.00 33.11 C ATOM 301 CG LEU A 23 2.517 -2.956 -7.756 1.00 73.22 C ATOM 302 CD1 LEU A 23 1.454 -3.065 -8.845 1.00 2.45 C ATOM 303 CD2 LEU A 23 2.612 -4.273 -7.018 1.00 23.52 C ATOM 0 H LEU A 23 2.614 -0.368 -7.942 1.00 63.23 H new ATOM 0 HA LEU A 23 5.164 -1.041 -9.135 1.00 63.31 H new ATOM 0 HB2 LEU A 23 4.276 -3.385 -8.926 1.00 33.11 H new ATOM 0 HB3 LEU A 23 4.603 -2.509 -7.444 1.00 33.11 H new ATOM 0 HG LEU A 23 2.203 -2.152 -7.090 1.00 73.22 H new ATOM 0 HD11 LEU A 23 0.500 -3.340 -8.396 1.00 2.45 H new ATOM 0 HD12 LEU A 23 1.353 -2.106 -9.353 1.00 2.45 H new ATOM 0 HD13 LEU A 23 1.749 -3.828 -9.566 1.00 2.45 H new ATOM 0 HD21 LEU A 23 1.628 -4.549 -6.638 1.00 23.52 H new ATOM 0 HD22 LEU A 23 2.968 -5.046 -7.698 1.00 23.52 H new ATOM 0 HD23 LEU A 23 3.308 -4.174 -6.185 1.00 23.52 H new ATOM 315 N ASP A 24 4.200 -2.281 -11.263 1.00 20.40 N ATOM 316 CA ASP A 24 3.760 -2.541 -12.612 1.00 74.14 C ATOM 317 C ASP A 24 2.546 -3.468 -12.555 1.00 62.32 C ATOM 318 O ASP A 24 2.526 -4.380 -11.736 1.00 4.34 O ATOM 319 CB ASP A 24 4.889 -3.180 -13.418 1.00 3.34 C ATOM 320 CG ASP A 24 4.494 -3.474 -14.839 1.00 43.10 C ATOM 321 OD1 ASP A 24 4.675 -2.593 -15.712 1.00 72.22 O ATOM 322 OD2 ASP A 24 3.998 -4.591 -15.114 1.00 75.50 O ATOM 0 H ASP A 24 4.997 -2.839 -10.958 1.00 20.40 H new ATOM 0 HA ASP A 24 3.484 -1.608 -13.103 1.00 74.14 H new ATOM 0 HB2 ASP A 24 5.753 -2.515 -13.416 1.00 3.34 H new ATOM 0 HB3 ASP A 24 5.198 -4.106 -12.932 1.00 3.34 H new ATOM 327 N PRO A 25 1.507 -3.228 -13.378 1.00 70.22 N ATOM 328 CA PRO A 25 0.276 -4.047 -13.393 1.00 23.01 C ATOM 329 C PRO A 25 0.490 -5.582 -13.502 1.00 71.34 C ATOM 330 O PRO A 25 -0.404 -6.355 -13.126 1.00 62.03 O ATOM 331 CB PRO A 25 -0.489 -3.523 -14.604 1.00 1.23 C ATOM 332 CG PRO A 25 -0.041 -2.110 -14.745 1.00 30.02 C ATOM 333 CD PRO A 25 1.400 -2.085 -14.316 1.00 22.01 C ATOM 0 HA PRO A 25 -0.246 -3.946 -12.442 1.00 23.01 H new ATOM 0 HB2 PRO A 25 -0.261 -4.103 -15.499 1.00 1.23 H new ATOM 0 HB3 PRO A 25 -1.566 -3.584 -14.450 1.00 1.23 H new ATOM 0 HG2 PRO A 25 -0.147 -1.768 -15.775 1.00 30.02 H new ATOM 0 HG3 PRO A 25 -0.644 -1.446 -14.125 1.00 30.02 H new ATOM 0 HD2 PRO A 25 2.073 -2.200 -15.166 1.00 22.01 H new ATOM 0 HD3 PRO A 25 1.657 -1.143 -13.831 1.00 22.01 H new ATOM 341 N ASP A 26 1.648 -6.020 -14.006 1.00 50.12 N ATOM 342 CA ASP A 26 1.943 -7.459 -14.117 1.00 44.53 C ATOM 343 C ASP A 26 2.721 -7.983 -12.924 1.00 15.55 C ATOM 344 O ASP A 26 3.128 -9.142 -12.904 1.00 73.32 O ATOM 345 CB ASP A 26 2.674 -7.823 -15.423 1.00 73.13 C ATOM 346 CG ASP A 26 1.747 -7.971 -16.609 1.00 74.12 C ATOM 347 OD1 ASP A 26 1.229 -9.080 -16.853 1.00 2.43 O ATOM 348 OD2 ASP A 26 1.502 -6.979 -17.335 1.00 75.04 O ATOM 0 H ASP A 26 2.392 -5.409 -14.342 1.00 50.12 H new ATOM 0 HA ASP A 26 0.969 -7.948 -14.134 1.00 44.53 H new ATOM 0 HB2 ASP A 26 3.414 -7.053 -15.643 1.00 73.13 H new ATOM 0 HB3 ASP A 26 3.218 -8.756 -15.278 1.00 73.13 H new ATOM 353 N GLU A 27 2.930 -7.146 -11.942 1.00 63.22 N ATOM 354 CA GLU A 27 3.599 -7.542 -10.708 1.00 65.52 C ATOM 355 C GLU A 27 2.589 -8.167 -9.741 1.00 43.30 C ATOM 356 O GLU A 27 1.382 -7.947 -9.897 1.00 20.52 O ATOM 357 CB GLU A 27 4.295 -6.333 -10.073 1.00 64.45 C ATOM 358 CG GLU A 27 5.554 -5.904 -10.802 1.00 72.11 C ATOM 359 CD GLU A 27 6.678 -6.902 -10.639 1.00 64.42 C ATOM 360 OE1 GLU A 27 6.774 -7.865 -11.439 1.00 4.04 O ATOM 361 OE2 GLU A 27 7.482 -6.744 -9.691 1.00 34.22 O ATOM 0 H GLU A 27 2.645 -6.167 -11.965 1.00 63.22 H new ATOM 0 HA GLU A 27 4.359 -8.289 -10.937 1.00 65.52 H new ATOM 0 HB2 GLU A 27 3.598 -5.496 -10.046 1.00 64.45 H new ATOM 0 HB3 GLU A 27 4.547 -6.571 -9.040 1.00 64.45 H new ATOM 0 HG2 GLU A 27 5.333 -5.779 -11.862 1.00 72.11 H new ATOM 0 HG3 GLU A 27 5.876 -4.933 -10.426 1.00 72.11 H new ATOM 368 N PRO A 28 3.067 -8.992 -8.758 1.00 33.24 N ATOM 369 CA PRO A 28 2.219 -9.663 -7.754 1.00 62.22 C ATOM 370 C PRO A 28 1.119 -8.761 -7.164 1.00 34.53 C ATOM 371 O PRO A 28 1.380 -7.867 -6.337 1.00 34.14 O ATOM 372 CB PRO A 28 3.222 -10.064 -6.674 1.00 42.45 C ATOM 373 CG PRO A 28 4.468 -10.347 -7.428 1.00 32.52 C ATOM 374 CD PRO A 28 4.496 -9.364 -8.570 1.00 31.25 C ATOM 0 HA PRO A 28 1.666 -10.494 -8.192 1.00 62.22 H new ATOM 0 HB2 PRO A 28 3.368 -9.264 -5.948 1.00 42.45 H new ATOM 0 HB3 PRO A 28 2.883 -10.939 -6.120 1.00 42.45 H new ATOM 0 HG2 PRO A 28 5.345 -10.230 -6.791 1.00 32.52 H new ATOM 0 HG3 PRO A 28 4.477 -11.373 -7.796 1.00 32.52 H new ATOM 0 HD2 PRO A 28 5.107 -8.493 -8.333 1.00 31.25 H new ATOM 0 HD3 PRO A 28 4.914 -9.811 -9.472 1.00 31.25 H new ATOM 382 N THR A 29 -0.102 -9.014 -7.575 1.00 54.12 N ATOM 383 CA THR A 29 -1.229 -8.221 -7.183 1.00 21.40 C ATOM 384 C THR A 29 -2.451 -9.066 -6.783 1.00 33.12 C ATOM 385 O THR A 29 -2.635 -10.204 -7.248 1.00 71.41 O ATOM 386 CB THR A 29 -1.604 -7.276 -8.326 1.00 51.13 C ATOM 387 OG1 THR A 29 -1.318 -7.927 -9.589 1.00 62.12 O ATOM 388 CG2 THR A 29 -0.851 -5.956 -8.232 1.00 10.35 C ATOM 0 H THR A 29 -0.336 -9.787 -8.198 1.00 54.12 H new ATOM 0 HA THR A 29 -0.935 -7.657 -6.298 1.00 21.40 H new ATOM 0 HB THR A 29 -2.668 -7.049 -8.255 1.00 51.13 H new ATOM 0 HG1 THR A 29 -0.352 -7.908 -9.756 1.00 62.12 H new ATOM 0 HG21 THR A 29 -1.143 -5.311 -9.060 1.00 10.35 H new ATOM 0 HG22 THR A 29 -1.091 -5.466 -7.288 1.00 10.35 H new ATOM 0 HG23 THR A 29 0.221 -6.145 -8.280 1.00 10.35 H new ATOM 396 N TYR A 30 -3.203 -8.523 -5.868 1.00 43.40 N ATOM 397 CA TYR A 30 -4.474 -9.017 -5.404 1.00 53.51 C ATOM 398 C TYR A 30 -5.497 -7.991 -5.760 1.00 64.53 C ATOM 399 O TYR A 30 -5.145 -6.845 -5.972 1.00 1.53 O ATOM 400 CB TYR A 30 -4.505 -9.277 -3.895 1.00 54.42 C ATOM 401 CG TYR A 30 -3.766 -10.507 -3.462 1.00 43.35 C ATOM 402 CD1 TYR A 30 -4.079 -11.739 -4.003 1.00 13.42 C ATOM 403 CD2 TYR A 30 -2.788 -10.449 -2.495 1.00 11.13 C ATOM 404 CE1 TYR A 30 -3.434 -12.878 -3.601 1.00 55.34 C ATOM 405 CE2 TYR A 30 -2.126 -11.590 -2.081 1.00 33.03 C ATOM 406 CZ TYR A 30 -2.455 -12.804 -2.637 1.00 12.11 C ATOM 407 OH TYR A 30 -1.805 -13.941 -2.233 1.00 20.23 O ATOM 0 H TYR A 30 -2.927 -7.664 -5.392 1.00 43.40 H new ATOM 0 HA TYR A 30 -4.671 -9.978 -5.878 1.00 53.51 H new ATOM 0 HB2 TYR A 30 -4.081 -8.414 -3.381 1.00 54.42 H new ATOM 0 HB3 TYR A 30 -5.543 -9.360 -3.575 1.00 54.42 H new ATOM 0 HD1 TYR A 30 -4.848 -11.805 -4.758 1.00 13.42 H new ATOM 0 HD2 TYR A 30 -2.534 -9.497 -2.053 1.00 11.13 H new ATOM 0 HE1 TYR A 30 -3.693 -13.831 -4.039 1.00 55.34 H new ATOM 0 HE2 TYR A 30 -1.356 -11.528 -1.326 1.00 33.03 H new ATOM 0 HH TYR A 30 -1.143 -13.713 -1.547 1.00 20.23 H new ATOM 417 N ASP A 31 -6.730 -8.359 -5.763 1.00 13.51 N ATOM 418 CA ASP A 31 -7.800 -7.487 -6.214 1.00 33.03 C ATOM 419 C ASP A 31 -8.837 -7.578 -5.153 1.00 22.00 C ATOM 420 O ASP A 31 -8.785 -8.511 -4.356 1.00 52.25 O ATOM 421 CB ASP A 31 -8.468 -8.038 -7.510 1.00 33.04 C ATOM 422 CG ASP A 31 -7.530 -8.352 -8.658 1.00 44.24 C ATOM 423 OD1 ASP A 31 -6.936 -9.459 -8.660 1.00 44.53 O ATOM 424 OD2 ASP A 31 -7.402 -7.524 -9.591 1.00 71.11 O ATOM 0 H ASP A 31 -7.045 -9.278 -5.453 1.00 13.51 H new ATOM 0 HA ASP A 31 -7.416 -6.485 -6.404 1.00 33.03 H new ATOM 0 HB2 ASP A 31 -9.015 -8.946 -7.255 1.00 33.04 H new ATOM 0 HB3 ASP A 31 -9.202 -7.309 -7.855 1.00 33.04 H new ATOM 429 N LEU A 32 -9.752 -6.620 -5.111 1.00 54.35 N ATOM 430 CA LEU A 32 -10.810 -6.575 -4.073 1.00 1.31 C ATOM 431 C LEU A 32 -11.492 -7.952 -3.826 1.00 62.41 C ATOM 432 O LEU A 32 -11.471 -8.442 -2.689 1.00 20.11 O ATOM 433 CB LEU A 32 -11.850 -5.472 -4.354 1.00 0.24 C ATOM 434 CG LEU A 32 -11.332 -4.031 -4.367 1.00 30.12 C ATOM 435 CD1 LEU A 32 -12.459 -3.068 -4.703 1.00 31.34 C ATOM 436 CD2 LEU A 32 -10.708 -3.669 -3.024 1.00 70.41 C ATOM 0 H LEU A 32 -9.795 -5.853 -5.781 1.00 54.35 H new ATOM 0 HA LEU A 32 -10.298 -6.319 -3.145 1.00 1.31 H new ATOM 0 HB2 LEU A 32 -12.312 -5.677 -5.320 1.00 0.24 H new ATOM 0 HB3 LEU A 32 -12.636 -5.545 -3.603 1.00 0.24 H new ATOM 0 HG LEU A 32 -10.562 -3.951 -5.134 1.00 30.12 H new ATOM 0 HD11 LEU A 32 -12.076 -2.048 -4.709 1.00 31.34 H new ATOM 0 HD12 LEU A 32 -12.863 -3.309 -5.686 1.00 31.34 H new ATOM 0 HD13 LEU A 32 -13.247 -3.156 -3.955 1.00 31.34 H new ATOM 0 HD21 LEU A 32 -10.347 -2.641 -3.056 1.00 70.41 H new ATOM 0 HD22 LEU A 32 -11.456 -3.767 -2.237 1.00 70.41 H new ATOM 0 HD23 LEU A 32 -9.874 -4.340 -2.817 1.00 70.41 H new ATOM 448 N PRO A 33 -12.073 -8.626 -4.872 1.00 53.54 N ATOM 449 CA PRO A 33 -12.677 -9.951 -4.688 1.00 33.32 C ATOM 450 C PRO A 33 -11.651 -10.996 -4.215 1.00 63.52 C ATOM 451 O PRO A 33 -11.963 -11.849 -3.394 1.00 22.24 O ATOM 452 CB PRO A 33 -13.212 -10.319 -6.084 1.00 60.11 C ATOM 453 CG PRO A 33 -12.502 -9.411 -7.029 1.00 24.33 C ATOM 454 CD PRO A 33 -12.229 -8.154 -6.270 1.00 70.34 C ATOM 0 HA PRO A 33 -13.451 -9.935 -3.921 1.00 33.32 H new ATOM 0 HB2 PRO A 33 -13.013 -11.365 -6.319 1.00 60.11 H new ATOM 0 HB3 PRO A 33 -14.292 -10.180 -6.141 1.00 60.11 H new ATOM 0 HG2 PRO A 33 -11.575 -9.863 -7.381 1.00 24.33 H new ATOM 0 HG3 PRO A 33 -13.113 -9.210 -7.909 1.00 24.33 H new ATOM 0 HD2 PRO A 33 -11.329 -7.655 -6.629 1.00 70.34 H new ATOM 0 HD3 PRO A 33 -13.048 -7.441 -6.365 1.00 70.34 H new ATOM 462 N ARG A 34 -10.415 -10.878 -4.694 1.00 71.41 N ATOM 463 CA ARG A 34 -9.377 -11.828 -4.361 1.00 4.14 C ATOM 464 C ARG A 34 -8.967 -11.672 -2.891 1.00 61.21 C ATOM 465 O ARG A 34 -8.650 -12.636 -2.224 1.00 64.34 O ATOM 466 CB ARG A 34 -8.164 -11.627 -5.255 1.00 73.15 C ATOM 467 CG ARG A 34 -7.308 -12.866 -5.422 1.00 43.21 C ATOM 468 CD ARG A 34 -8.056 -13.907 -6.229 1.00 62.23 C ATOM 469 NE ARG A 34 -7.238 -15.080 -6.528 1.00 62.32 N ATOM 470 CZ ARG A 34 -6.876 -15.455 -7.761 1.00 31.30 C ATOM 471 NH1 ARG A 34 -7.054 -14.631 -8.789 1.00 25.22 N ATOM 472 NH2 ARG A 34 -6.280 -16.626 -7.955 1.00 23.42 N ATOM 0 H ARG A 34 -10.115 -10.127 -5.316 1.00 71.41 H new ATOM 0 HA ARG A 34 -9.769 -12.833 -4.519 1.00 4.14 H new ATOM 0 HB2 ARG A 34 -8.501 -11.296 -6.237 1.00 73.15 H new ATOM 0 HB3 ARG A 34 -7.550 -10.827 -4.842 1.00 73.15 H new ATOM 0 HG2 ARG A 34 -6.374 -12.608 -5.922 1.00 43.21 H new ATOM 0 HG3 ARG A 34 -7.045 -13.271 -4.445 1.00 43.21 H new ATOM 0 HD2 ARG A 34 -8.944 -14.218 -5.679 1.00 62.23 H new ATOM 0 HD3 ARG A 34 -8.399 -13.460 -7.162 1.00 62.23 H new ATOM 0 HE ARG A 34 -6.922 -15.652 -5.745 1.00 62.32 H new ATOM 0 HH11 ARG A 34 -7.467 -13.711 -8.639 1.00 25.22 H new ATOM 0 HH12 ARG A 34 -6.777 -14.919 -9.727 1.00 25.22 H new ATOM 0 HH21 ARG A 34 -6.097 -17.242 -7.163 1.00 23.42 H new ATOM 0 HH22 ARG A 34 -6.005 -16.909 -8.896 1.00 23.42 H new ATOM 486 N VAL A 35 -8.959 -10.445 -2.407 1.00 44.33 N ATOM 487 CA VAL A 35 -8.635 -10.190 -1.006 1.00 33.23 C ATOM 488 C VAL A 35 -9.759 -10.702 -0.107 1.00 5.45 C ATOM 489 O VAL A 35 -9.507 -11.271 0.961 1.00 43.31 O ATOM 490 CB VAL A 35 -8.312 -8.692 -0.714 1.00 63.43 C ATOM 491 CG1 VAL A 35 -8.010 -8.460 0.761 1.00 41.12 C ATOM 492 CG2 VAL A 35 -7.135 -8.232 -1.554 1.00 23.03 C ATOM 0 H VAL A 35 -9.171 -9.611 -2.954 1.00 44.33 H new ATOM 0 HA VAL A 35 -7.720 -10.739 -0.782 1.00 33.23 H new ATOM 0 HB VAL A 35 -9.196 -8.110 -0.976 1.00 63.43 H new ATOM 0 HG11 VAL A 35 -7.790 -7.405 0.926 1.00 41.12 H new ATOM 0 HG12 VAL A 35 -8.875 -8.748 1.359 1.00 41.12 H new ATOM 0 HG13 VAL A 35 -7.149 -9.061 1.055 1.00 41.12 H new ATOM 0 HG21 VAL A 35 -6.922 -7.185 -1.339 1.00 23.03 H new ATOM 0 HG22 VAL A 35 -6.260 -8.837 -1.316 1.00 23.03 H new ATOM 0 HG23 VAL A 35 -7.377 -8.343 -2.611 1.00 23.03 H new ATOM 502 N ALA A 36 -10.995 -10.535 -0.566 1.00 45.03 N ATOM 503 CA ALA A 36 -12.151 -11.066 0.141 1.00 14.30 C ATOM 504 C ALA A 36 -12.027 -12.588 0.240 1.00 62.21 C ATOM 505 O ALA A 36 -12.401 -13.200 1.244 1.00 63.30 O ATOM 506 CB ALA A 36 -13.436 -10.674 -0.569 1.00 21.43 C ATOM 0 H ALA A 36 -11.220 -10.035 -1.426 1.00 45.03 H new ATOM 0 HA ALA A 36 -12.185 -10.645 1.146 1.00 14.30 H new ATOM 0 HB1 ALA A 36 -14.290 -11.080 -0.026 1.00 21.43 H new ATOM 0 HB2 ALA A 36 -13.513 -9.587 -0.608 1.00 21.43 H new ATOM 0 HB3 ALA A 36 -13.428 -11.073 -1.583 1.00 21.43 H new ATOM 512 N GLU A 37 -11.477 -13.174 -0.815 1.00 42.15 N ATOM 513 CA GLU A 37 -11.143 -14.590 -0.882 1.00 24.44 C ATOM 514 C GLU A 37 -10.079 -14.968 0.145 1.00 22.20 C ATOM 515 O GLU A 37 -10.215 -15.965 0.846 1.00 51.00 O ATOM 516 CB GLU A 37 -10.616 -14.907 -2.270 1.00 24.12 C ATOM 517 CG GLU A 37 -11.675 -15.119 -3.321 1.00 23.12 C ATOM 518 CD GLU A 37 -12.414 -16.405 -3.116 1.00 4.23 C ATOM 519 OE1 GLU A 37 -13.399 -16.432 -2.347 1.00 65.31 O ATOM 520 OE2 GLU A 37 -12.020 -17.419 -3.731 1.00 3.10 O ATOM 0 H GLU A 37 -11.245 -12.666 -1.668 1.00 42.15 H new ATOM 0 HA GLU A 37 -12.046 -15.161 -0.666 1.00 24.44 H new ATOM 0 HB2 GLU A 37 -9.966 -14.093 -2.590 1.00 24.12 H new ATOM 0 HB3 GLU A 37 -9.999 -15.804 -2.212 1.00 24.12 H new ATOM 0 HG2 GLU A 37 -12.380 -14.288 -3.299 1.00 23.12 H new ATOM 0 HG3 GLU A 37 -11.212 -15.119 -4.308 1.00 23.12 H new ATOM 527 N LEU A 38 -9.046 -14.157 0.242 1.00 73.21 N ATOM 528 CA LEU A 38 -7.940 -14.404 1.164 1.00 44.33 C ATOM 529 C LEU A 38 -8.404 -14.351 2.603 1.00 42.32 C ATOM 530 O LEU A 38 -8.170 -15.281 3.384 1.00 44.34 O ATOM 531 CB LEU A 38 -6.835 -13.366 0.982 1.00 64.45 C ATOM 532 CG LEU A 38 -6.168 -13.277 -0.383 1.00 23.33 C ATOM 533 CD1 LEU A 38 -5.140 -12.174 -0.367 1.00 24.13 C ATOM 534 CD2 LEU A 38 -5.517 -14.598 -0.768 1.00 73.43 C ATOM 0 H LEU A 38 -8.943 -13.307 -0.312 1.00 73.21 H new ATOM 0 HA LEU A 38 -7.557 -15.399 0.938 1.00 44.33 H new ATOM 0 HB2 LEU A 38 -7.253 -12.387 1.216 1.00 64.45 H new ATOM 0 HB3 LEU A 38 -6.060 -13.567 1.722 1.00 64.45 H new ATOM 0 HG LEU A 38 -6.932 -13.055 -1.128 1.00 23.33 H new ATOM 0 HD11 LEU A 38 -4.661 -12.109 -1.344 1.00 24.13 H new ATOM 0 HD12 LEU A 38 -5.627 -11.226 -0.137 1.00 24.13 H new ATOM 0 HD13 LEU A 38 -4.388 -12.389 0.392 1.00 24.13 H new ATOM 0 HD21 LEU A 38 -5.049 -14.501 -1.748 1.00 73.43 H new ATOM 0 HD22 LEU A 38 -4.760 -14.859 -0.029 1.00 73.43 H new ATOM 0 HD23 LEU A 38 -6.275 -15.381 -0.803 1.00 73.43 H new ATOM 546 N LEU A 39 -9.106 -13.292 2.931 1.00 44.41 N ATOM 547 CA LEU A 39 -9.516 -13.033 4.295 1.00 21.44 C ATOM 548 C LEU A 39 -10.760 -13.814 4.679 1.00 42.44 C ATOM 549 O LEU A 39 -11.026 -14.008 5.862 1.00 74.02 O ATOM 550 CB LEU A 39 -9.762 -11.535 4.478 1.00 74.14 C ATOM 551 CG LEU A 39 -8.586 -10.598 4.155 1.00 25.32 C ATOM 552 CD1 LEU A 39 -8.998 -9.155 4.335 1.00 13.03 C ATOM 553 CD2 LEU A 39 -7.385 -10.903 5.027 1.00 52.45 C ATOM 0 H LEU A 39 -9.410 -12.585 2.262 1.00 44.41 H new ATOM 0 HA LEU A 39 -8.712 -13.363 4.952 1.00 21.44 H new ATOM 0 HB2 LEU A 39 -10.607 -11.250 3.851 1.00 74.14 H new ATOM 0 HB3 LEU A 39 -10.060 -11.363 5.512 1.00 74.14 H new ATOM 0 HG LEU A 39 -8.305 -10.764 3.115 1.00 25.32 H new ATOM 0 HD11 LEU A 39 -8.155 -8.504 4.103 1.00 13.03 H new ATOM 0 HD12 LEU A 39 -9.828 -8.927 3.666 1.00 13.03 H new ATOM 0 HD13 LEU A 39 -9.309 -8.991 5.367 1.00 13.03 H new ATOM 0 HD21 LEU A 39 -6.570 -10.224 4.775 1.00 52.45 H new ATOM 0 HD22 LEU A 39 -7.654 -10.773 6.075 1.00 52.45 H new ATOM 0 HD23 LEU A 39 -7.065 -11.931 4.859 1.00 52.45 H new ATOM 565 N GLY A 40 -11.497 -14.281 3.685 1.00 31.02 N ATOM 566 CA GLY A 40 -12.718 -15.022 3.943 1.00 13.40 C ATOM 567 C GLY A 40 -13.802 -14.121 4.492 1.00 31.01 C ATOM 568 O GLY A 40 -14.633 -14.548 5.306 1.00 63.23 O ATOM 0 H GLY A 40 -11.272 -14.161 2.697 1.00 31.02 H new ATOM 0 HA2 GLY A 40 -13.063 -15.490 3.021 1.00 13.40 H new ATOM 0 HA3 GLY A 40 -12.516 -15.825 4.652 1.00 13.40 H new ATOM 572 N VAL A 41 -13.777 -12.874 4.066 1.00 3.52 N ATOM 573 CA VAL A 41 -14.734 -11.867 4.521 1.00 3.54 C ATOM 574 C VAL A 41 -15.371 -11.196 3.307 1.00 33.10 C ATOM 575 O VAL A 41 -14.839 -11.321 2.202 1.00 44.22 O ATOM 576 CB VAL A 41 -14.058 -10.778 5.430 1.00 61.10 C ATOM 577 CG1 VAL A 41 -13.388 -11.396 6.645 1.00 21.41 C ATOM 578 CG2 VAL A 41 -13.072 -9.920 4.644 1.00 73.05 C ATOM 0 H VAL A 41 -13.095 -12.523 3.394 1.00 3.52 H new ATOM 0 HA VAL A 41 -15.492 -12.371 5.121 1.00 3.54 H new ATOM 0 HB VAL A 41 -14.856 -10.126 5.787 1.00 61.10 H new ATOM 0 HG11 VAL A 41 -12.932 -10.611 7.248 1.00 21.41 H new ATOM 0 HG12 VAL A 41 -14.132 -11.926 7.241 1.00 21.41 H new ATOM 0 HG13 VAL A 41 -12.618 -12.096 6.319 1.00 21.41 H new ATOM 0 HG21 VAL A 41 -12.625 -9.179 5.307 1.00 73.05 H new ATOM 0 HG22 VAL A 41 -12.289 -10.554 4.228 1.00 73.05 H new ATOM 0 HG23 VAL A 41 -13.596 -9.413 3.834 1.00 73.05 H new ATOM 588 N PRO A 42 -16.531 -10.518 3.462 1.00 30.53 N ATOM 589 CA PRO A 42 -17.154 -9.792 2.354 1.00 61.24 C ATOM 590 C PRO A 42 -16.291 -8.624 1.875 1.00 35.52 C ATOM 591 O PRO A 42 -15.505 -8.040 2.655 1.00 72.14 O ATOM 592 CB PRO A 42 -18.466 -9.264 2.939 1.00 41.20 C ATOM 593 CG PRO A 42 -18.263 -9.278 4.415 1.00 70.11 C ATOM 594 CD PRO A 42 -17.352 -10.438 4.694 1.00 53.42 C ATOM 0 HA PRO A 42 -17.293 -10.436 1.486 1.00 61.24 H new ATOM 0 HB2 PRO A 42 -18.682 -8.258 2.580 1.00 41.20 H new ATOM 0 HB3 PRO A 42 -19.308 -9.893 2.650 1.00 41.20 H new ATOM 0 HG2 PRO A 42 -17.820 -8.343 4.757 1.00 70.11 H new ATOM 0 HG3 PRO A 42 -19.212 -9.392 4.939 1.00 70.11 H new ATOM 0 HD2 PRO A 42 -16.738 -10.266 5.578 1.00 53.42 H new ATOM 0 HD3 PRO A 42 -17.911 -11.358 4.868 1.00 53.42 H new ATOM 602 N VAL A 43 -16.466 -8.263 0.616 1.00 25.22 N ATOM 603 CA VAL A 43 -15.718 -7.176 -0.019 1.00 51.40 C ATOM 604 C VAL A 43 -15.941 -5.853 0.731 1.00 52.22 C ATOM 605 O VAL A 43 -15.017 -5.059 0.903 1.00 30.13 O ATOM 606 CB VAL A 43 -16.138 -7.011 -1.505 1.00 51.04 C ATOM 607 CG1 VAL A 43 -15.383 -5.867 -2.182 1.00 30.32 C ATOM 608 CG2 VAL A 43 -15.924 -8.310 -2.276 1.00 11.25 C ATOM 0 H VAL A 43 -17.136 -8.716 -0.006 1.00 25.22 H new ATOM 0 HA VAL A 43 -14.659 -7.433 0.021 1.00 51.40 H new ATOM 0 HB VAL A 43 -17.200 -6.765 -1.515 1.00 51.04 H new ATOM 0 HG11 VAL A 43 -15.704 -5.783 -3.220 1.00 30.32 H new ATOM 0 HG12 VAL A 43 -15.593 -4.933 -1.661 1.00 30.32 H new ATOM 0 HG13 VAL A 43 -14.312 -6.068 -2.149 1.00 30.32 H new ATOM 0 HG21 VAL A 43 -16.225 -8.171 -3.314 1.00 11.25 H new ATOM 0 HG22 VAL A 43 -14.870 -8.587 -2.238 1.00 11.25 H new ATOM 0 HG23 VAL A 43 -16.524 -9.102 -1.828 1.00 11.25 H new ATOM 618 N SER A 44 -17.153 -5.656 1.215 1.00 61.20 N ATOM 619 CA SER A 44 -17.497 -4.461 1.948 1.00 73.03 C ATOM 620 C SER A 44 -16.680 -4.358 3.247 1.00 43.32 C ATOM 621 O SER A 44 -16.296 -3.265 3.649 1.00 50.04 O ATOM 622 CB SER A 44 -19.009 -4.407 2.220 1.00 33.01 C ATOM 623 OG SER A 44 -19.385 -3.199 2.854 1.00 3.31 O ATOM 0 H SER A 44 -17.921 -6.319 1.110 1.00 61.20 H new ATOM 0 HA SER A 44 -17.242 -3.596 1.336 1.00 73.03 H new ATOM 0 HB2 SER A 44 -19.551 -4.509 1.280 1.00 33.01 H new ATOM 0 HB3 SER A 44 -19.296 -5.251 2.847 1.00 33.01 H new ATOM 0 HG SER A 44 -20.353 -3.199 3.010 1.00 3.31 H new ATOM 629 N LYS A 45 -16.371 -5.500 3.877 1.00 14.31 N ATOM 630 CA LYS A 45 -15.559 -5.483 5.085 1.00 2.33 C ATOM 631 C LYS A 45 -14.133 -5.088 4.733 1.00 42.15 C ATOM 632 O LYS A 45 -13.468 -4.390 5.487 1.00 24.42 O ATOM 633 CB LYS A 45 -15.601 -6.820 5.843 1.00 45.14 C ATOM 634 CG LYS A 45 -14.831 -6.784 7.159 1.00 53.01 C ATOM 635 CD LYS A 45 -15.003 -8.053 7.971 1.00 75.01 C ATOM 636 CE LYS A 45 -14.277 -7.960 9.315 1.00 71.14 C ATOM 637 NZ LYS A 45 -14.800 -6.864 10.170 1.00 54.14 N ATOM 0 H LYS A 45 -16.668 -6.427 3.572 1.00 14.31 H new ATOM 0 HA LYS A 45 -15.980 -4.741 5.763 1.00 2.33 H new ATOM 0 HB2 LYS A 45 -16.639 -7.085 6.043 1.00 45.14 H new ATOM 0 HB3 LYS A 45 -15.188 -7.604 5.208 1.00 45.14 H new ATOM 0 HG2 LYS A 45 -13.772 -6.631 6.952 1.00 53.01 H new ATOM 0 HG3 LYS A 45 -15.167 -5.931 7.749 1.00 53.01 H new ATOM 0 HD2 LYS A 45 -16.064 -8.237 8.141 1.00 75.01 H new ATOM 0 HD3 LYS A 45 -14.619 -8.903 7.406 1.00 75.01 H new ATOM 0 HE2 LYS A 45 -14.376 -8.908 9.844 1.00 71.14 H new ATOM 0 HE3 LYS A 45 -13.213 -7.803 9.139 1.00 71.14 H new ATOM 0 HZ1 LYS A 45 -14.466 -6.996 11.146 1.00 54.14 H new ATOM 0 HZ2 LYS A 45 -14.461 -5.950 9.808 1.00 54.14 H new ATOM 0 HZ3 LYS A 45 -15.840 -6.878 10.155 1.00 54.14 H new ATOM 651 N VAL A 46 -13.684 -5.519 3.561 1.00 52.12 N ATOM 652 CA VAL A 46 -12.371 -5.125 3.044 1.00 63.21 C ATOM 653 C VAL A 46 -12.362 -3.621 2.822 1.00 43.22 C ATOM 654 O VAL A 46 -11.408 -2.938 3.185 1.00 55.50 O ATOM 655 CB VAL A 46 -12.021 -5.856 1.717 1.00 62.45 C ATOM 656 CG1 VAL A 46 -10.651 -5.431 1.204 1.00 61.21 C ATOM 657 CG2 VAL A 46 -12.076 -7.367 1.899 1.00 12.40 C ATOM 0 H VAL A 46 -14.207 -6.143 2.947 1.00 52.12 H new ATOM 0 HA VAL A 46 -11.616 -5.409 3.778 1.00 63.21 H new ATOM 0 HB VAL A 46 -12.766 -5.572 0.974 1.00 62.45 H new ATOM 0 HG11 VAL A 46 -10.431 -5.957 0.275 1.00 61.21 H new ATOM 0 HG12 VAL A 46 -10.648 -4.356 1.022 1.00 61.21 H new ATOM 0 HG13 VAL A 46 -9.892 -5.675 1.948 1.00 61.21 H new ATOM 0 HG21 VAL A 46 -11.827 -7.856 0.957 1.00 12.40 H new ATOM 0 HG22 VAL A 46 -11.360 -7.668 2.664 1.00 12.40 H new ATOM 0 HG23 VAL A 46 -13.080 -7.660 2.206 1.00 12.40 H new ATOM 667 N ALA A 47 -13.456 -3.113 2.280 1.00 34.42 N ATOM 668 CA ALA A 47 -13.626 -1.687 2.069 1.00 44.05 C ATOM 669 C ALA A 47 -13.574 -0.940 3.403 1.00 61.52 C ATOM 670 O ALA A 47 -13.007 0.139 3.497 1.00 44.41 O ATOM 671 CB ALA A 47 -14.936 -1.403 1.347 1.00 1.43 C ATOM 0 H ALA A 47 -14.249 -3.677 1.975 1.00 34.42 H new ATOM 0 HA ALA A 47 -12.808 -1.332 1.442 1.00 44.05 H new ATOM 0 HB1 ALA A 47 -15.044 -0.329 1.199 1.00 1.43 H new ATOM 0 HB2 ALA A 47 -14.934 -1.905 0.379 1.00 1.43 H new ATOM 0 HB3 ALA A 47 -15.769 -1.772 1.946 1.00 1.43 H new ATOM 677 N GLN A 48 -14.126 -1.541 4.438 1.00 51.23 N ATOM 678 CA GLN A 48 -14.114 -0.927 5.753 1.00 24.33 C ATOM 679 C GLN A 48 -12.684 -0.906 6.318 1.00 71.23 C ATOM 680 O GLN A 48 -12.281 0.052 6.962 1.00 3.31 O ATOM 681 CB GLN A 48 -15.081 -1.616 6.725 1.00 40.41 C ATOM 682 CG GLN A 48 -16.549 -1.650 6.286 1.00 73.43 C ATOM 683 CD GLN A 48 -17.103 -0.294 5.872 1.00 35.24 C ATOM 684 OE1 GLN A 48 -17.595 0.470 6.693 1.00 73.31 O ATOM 685 NE2 GLN A 48 -17.078 -0.015 4.590 1.00 4.43 N ATOM 0 H GLN A 48 -14.587 -2.450 4.396 1.00 51.23 H new ATOM 0 HA GLN A 48 -14.463 0.100 5.640 1.00 24.33 H new ATOM 0 HB2 GLN A 48 -14.743 -2.641 6.880 1.00 40.41 H new ATOM 0 HB3 GLN A 48 -15.020 -1.111 7.689 1.00 40.41 H new ATOM 0 HG2 GLN A 48 -16.652 -2.343 5.451 1.00 73.43 H new ATOM 0 HG3 GLN A 48 -17.153 -2.044 7.104 1.00 73.43 H new ATOM 0 HE21 GLN A 48 -16.660 -0.674 3.933 1.00 4.43 H new ATOM 0 HE22 GLN A 48 -17.476 0.861 4.251 1.00 4.43 H new ATOM 694 N GLN A 49 -11.917 -1.953 6.027 1.00 12.32 N ATOM 695 CA GLN A 49 -10.504 -2.030 6.426 1.00 51.02 C ATOM 696 C GLN A 49 -9.724 -0.945 5.734 1.00 73.15 C ATOM 697 O GLN A 49 -8.899 -0.255 6.339 1.00 52.22 O ATOM 698 CB GLN A 49 -9.910 -3.371 6.040 1.00 25.22 C ATOM 699 CG GLN A 49 -10.584 -4.525 6.690 1.00 34.42 C ATOM 700 CD GLN A 49 -9.934 -5.836 6.358 1.00 12.04 C ATOM 701 OE1 GLN A 49 -8.731 -5.908 6.122 1.00 23.00 O ATOM 702 NE2 GLN A 49 -10.716 -6.880 6.336 1.00 51.44 N ATOM 0 H GLN A 49 -12.248 -2.769 5.512 1.00 12.32 H new ATOM 0 HA GLN A 49 -10.448 -1.908 7.508 1.00 51.02 H new ATOM 0 HB2 GLN A 49 -9.969 -3.488 4.958 1.00 25.22 H new ATOM 0 HB3 GLN A 49 -8.853 -3.381 6.305 1.00 25.22 H new ATOM 0 HG2 GLN A 49 -10.576 -4.384 7.771 1.00 34.42 H new ATOM 0 HG3 GLN A 49 -11.628 -4.553 6.379 1.00 34.42 H new ATOM 0 HE21 GLN A 49 -11.710 -6.777 6.538 1.00 51.44 H new ATOM 0 HE22 GLN A 49 -10.333 -7.800 6.117 1.00 51.44 H new ATOM 711 N LEU A 50 -10.019 -0.788 4.476 1.00 70.04 N ATOM 712 CA LEU A 50 -9.409 0.235 3.648 1.00 54.20 C ATOM 713 C LEU A 50 -9.758 1.624 4.211 1.00 21.02 C ATOM 714 O LEU A 50 -8.905 2.493 4.302 1.00 71.21 O ATOM 715 CB LEU A 50 -9.895 0.093 2.193 1.00 53.34 C ATOM 716 CG LEU A 50 -9.495 -1.185 1.433 1.00 51.23 C ATOM 717 CD1 LEU A 50 -10.124 -1.194 0.050 1.00 71.33 C ATOM 718 CD2 LEU A 50 -7.990 -1.298 1.307 1.00 4.22 C ATOM 0 H LEU A 50 -10.697 -1.369 3.982 1.00 70.04 H new ATOM 0 HA LEU A 50 -8.325 0.117 3.657 1.00 54.20 H new ATOM 0 HB2 LEU A 50 -10.983 0.158 2.194 1.00 53.34 H new ATOM 0 HB3 LEU A 50 -9.525 0.950 1.629 1.00 53.34 H new ATOM 0 HG LEU A 50 -9.860 -2.040 2.003 1.00 51.23 H new ATOM 0 HD11 LEU A 50 -9.833 -2.103 -0.476 1.00 71.33 H new ATOM 0 HD12 LEU A 50 -11.209 -1.161 0.144 1.00 71.33 H new ATOM 0 HD13 LEU A 50 -9.782 -0.325 -0.511 1.00 71.33 H new ATOM 0 HD21 LEU A 50 -7.738 -2.210 0.766 1.00 4.22 H new ATOM 0 HD22 LEU A 50 -7.605 -0.435 0.764 1.00 4.22 H new ATOM 0 HD23 LEU A 50 -7.543 -1.330 2.301 1.00 4.22 H new ATOM 730 N ARG A 51 -11.008 1.781 4.647 1.00 62.43 N ATOM 731 CA ARG A 51 -11.485 3.011 5.300 1.00 62.03 C ATOM 732 C ARG A 51 -10.723 3.298 6.597 1.00 11.33 C ATOM 733 O ARG A 51 -10.525 4.453 6.966 1.00 32.30 O ATOM 734 CB ARG A 51 -12.990 2.916 5.607 1.00 4.21 C ATOM 735 CG ARG A 51 -13.914 3.070 4.409 1.00 33.42 C ATOM 736 CD ARG A 51 -13.838 4.476 3.855 1.00 54.12 C ATOM 737 NE ARG A 51 -14.803 4.714 2.774 1.00 71.44 N ATOM 738 CZ ARG A 51 -15.709 5.712 2.772 1.00 32.31 C ATOM 739 NH1 ARG A 51 -15.899 6.448 3.860 1.00 41.10 N ATOM 740 NH2 ARG A 51 -16.432 5.957 1.686 1.00 70.15 N ATOM 0 H ARG A 51 -11.724 1.060 4.559 1.00 62.43 H new ATOM 0 HA ARG A 51 -11.305 3.830 4.604 1.00 62.03 H new ATOM 0 HB2 ARG A 51 -13.187 1.951 6.074 1.00 4.21 H new ATOM 0 HB3 ARG A 51 -13.243 3.683 6.339 1.00 4.21 H new ATOM 0 HG2 ARG A 51 -13.638 2.353 3.636 1.00 33.42 H new ATOM 0 HG3 ARG A 51 -14.939 2.844 4.702 1.00 33.42 H new ATOM 0 HD2 ARG A 51 -14.017 5.189 4.660 1.00 54.12 H new ATOM 0 HD3 ARG A 51 -12.830 4.661 3.484 1.00 54.12 H new ATOM 0 HE ARG A 51 -14.787 4.083 1.973 1.00 71.44 H new ATOM 0 HH11 ARG A 51 -15.358 6.260 4.704 1.00 41.10 H new ATOM 0 HH12 ARG A 51 -16.586 7.202 3.852 1.00 41.10 H new ATOM 0 HH21 ARG A 51 -16.303 5.389 0.849 1.00 70.15 H new ATOM 0 HH22 ARG A 51 -17.116 6.713 1.689 1.00 70.15 H new ATOM 754 N GLU A 52 -10.299 2.251 7.273 1.00 74.53 N ATOM 755 CA GLU A 52 -9.587 2.388 8.535 1.00 72.15 C ATOM 756 C GLU A 52 -8.095 2.604 8.332 1.00 73.30 C ATOM 757 O GLU A 52 -7.374 2.969 9.274 1.00 32.41 O ATOM 758 CB GLU A 52 -9.774 1.149 9.395 1.00 0.43 C ATOM 759 CG GLU A 52 -11.178 0.915 9.900 1.00 1.05 C ATOM 760 CD GLU A 52 -11.241 -0.296 10.780 1.00 4.03 C ATOM 761 OE1 GLU A 52 -10.594 -0.287 11.848 1.00 33.12 O ATOM 762 OE2 GLU A 52 -11.905 -1.301 10.408 1.00 61.20 O ATOM 0 H GLU A 52 -10.434 1.287 6.970 1.00 74.53 H new ATOM 0 HA GLU A 52 -10.007 3.263 9.031 1.00 72.15 H new ATOM 0 HB2 GLU A 52 -9.464 0.277 8.819 1.00 0.43 H new ATOM 0 HB3 GLU A 52 -9.105 1.219 10.253 1.00 0.43 H new ATOM 0 HG2 GLU A 52 -11.518 1.789 10.455 1.00 1.05 H new ATOM 0 HG3 GLU A 52 -11.855 0.790 9.055 1.00 1.05 H new ATOM 769 N GLY A 53 -7.633 2.396 7.129 1.00 14.12 N ATOM 770 CA GLY A 53 -6.218 2.455 6.886 1.00 2.21 C ATOM 771 C GLY A 53 -5.551 1.200 7.408 1.00 73.34 C ATOM 772 O GLY A 53 -4.407 1.222 7.863 1.00 53.13 O ATOM 0 H GLY A 53 -8.207 2.187 6.312 1.00 14.12 H new ATOM 0 HA2 GLY A 53 -6.028 2.560 5.818 1.00 2.21 H new ATOM 0 HA3 GLY A 53 -5.793 3.332 7.373 1.00 2.21 H new ATOM 776 N HIS A 54 -6.301 0.114 7.390 1.00 30.44 N ATOM 777 CA HIS A 54 -5.811 -1.187 7.810 1.00 61.10 C ATOM 778 C HIS A 54 -5.064 -1.803 6.637 1.00 41.20 C ATOM 779 O HIS A 54 -4.185 -2.637 6.801 1.00 5.13 O ATOM 780 CB HIS A 54 -7.011 -2.070 8.240 1.00 54.30 C ATOM 781 CG HIS A 54 -6.674 -3.458 8.729 1.00 31.15 C ATOM 782 ND1 HIS A 54 -6.887 -4.612 7.996 1.00 63.32 N ATOM 783 CD2 HIS A 54 -6.170 -3.862 9.917 1.00 21.23 C ATOM 784 CE1 HIS A 54 -6.517 -5.648 8.739 1.00 13.32 C ATOM 785 NE2 HIS A 54 -6.071 -5.252 9.923 1.00 22.12 N ATOM 0 H HIS A 54 -7.273 0.109 7.082 1.00 30.44 H new ATOM 0 HA HIS A 54 -5.136 -1.102 8.662 1.00 61.10 H new ATOM 0 HB2 HIS A 54 -7.553 -1.550 9.030 1.00 54.30 H new ATOM 0 HB3 HIS A 54 -7.691 -2.161 7.393 1.00 54.30 H new ATOM 0 HD1 HIS A 54 -7.263 -4.659 7.049 1.00 63.32 H new ATOM 0 HD2 HIS A 54 -5.889 -3.211 10.732 1.00 21.23 H new ATOM 0 HE1 HIS A 54 -6.572 -6.679 8.421 1.00 13.32 H new ATOM 793 N LEU A 55 -5.414 -1.335 5.459 1.00 53.23 N ATOM 794 CA LEU A 55 -4.835 -1.771 4.223 1.00 62.42 C ATOM 795 C LEU A 55 -5.057 -0.635 3.227 1.00 13.34 C ATOM 796 O LEU A 55 -5.924 0.216 3.470 1.00 43.41 O ATOM 797 CB LEU A 55 -5.538 -3.064 3.759 1.00 40.45 C ATOM 798 CG LEU A 55 -4.943 -3.786 2.548 1.00 62.11 C ATOM 799 CD1 LEU A 55 -3.525 -4.264 2.850 1.00 61.51 C ATOM 800 CD2 LEU A 55 -5.830 -4.956 2.150 1.00 20.11 C ATOM 0 H LEU A 55 -6.131 -0.620 5.339 1.00 53.23 H new ATOM 0 HA LEU A 55 -3.772 -1.993 4.318 1.00 62.42 H new ATOM 0 HB2 LEU A 55 -5.550 -3.762 4.596 1.00 40.45 H new ATOM 0 HB3 LEU A 55 -6.576 -2.822 3.532 1.00 40.45 H new ATOM 0 HG LEU A 55 -4.894 -3.086 1.714 1.00 62.11 H new ATOM 0 HD11 LEU A 55 -3.119 -4.775 1.977 1.00 61.51 H new ATOM 0 HD12 LEU A 55 -2.896 -3.407 3.094 1.00 61.51 H new ATOM 0 HD13 LEU A 55 -3.545 -4.952 3.696 1.00 61.51 H new ATOM 0 HD21 LEU A 55 -5.398 -5.463 1.287 1.00 20.11 H new ATOM 0 HD22 LEU A 55 -5.905 -5.656 2.982 1.00 20.11 H new ATOM 0 HD23 LEU A 55 -6.824 -4.589 1.895 1.00 20.11 H new ATOM 812 N VAL A 56 -4.281 -0.585 2.156 1.00 32.44 N ATOM 813 CA VAL A 56 -4.433 0.452 1.134 1.00 13.32 C ATOM 814 C VAL A 56 -4.514 -0.189 -0.243 1.00 34.02 C ATOM 815 O VAL A 56 -4.069 -1.328 -0.417 1.00 22.21 O ATOM 816 CB VAL A 56 -3.287 1.511 1.160 1.00 35.15 C ATOM 817 CG1 VAL A 56 -3.356 2.373 2.413 1.00 13.23 C ATOM 818 CG2 VAL A 56 -1.919 0.848 1.050 1.00 73.10 C ATOM 0 H VAL A 56 -3.533 -1.253 1.967 1.00 32.44 H new ATOM 0 HA VAL A 56 -5.358 0.984 1.358 1.00 13.32 H new ATOM 0 HB VAL A 56 -3.426 2.157 0.293 1.00 35.15 H new ATOM 0 HG11 VAL A 56 -2.544 3.100 2.400 1.00 13.23 H new ATOM 0 HG12 VAL A 56 -4.311 2.897 2.442 1.00 13.23 H new ATOM 0 HG13 VAL A 56 -3.262 1.740 3.296 1.00 13.23 H new ATOM 0 HG21 VAL A 56 -1.142 1.612 1.071 1.00 73.10 H new ATOM 0 HG22 VAL A 56 -1.778 0.164 1.887 1.00 73.10 H new ATOM 0 HG23 VAL A 56 -1.858 0.294 0.114 1.00 73.10 H new ATOM 828 N ALA A 57 -5.072 0.528 -1.205 1.00 65.21 N ATOM 829 CA ALA A 57 -5.273 -0.016 -2.534 1.00 71.24 C ATOM 830 C ALA A 57 -5.047 1.034 -3.622 1.00 4.13 C ATOM 831 O ALA A 57 -5.172 2.246 -3.384 1.00 71.20 O ATOM 832 CB ALA A 57 -6.676 -0.586 -2.646 1.00 2.11 C ATOM 0 H ALA A 57 -5.393 1.489 -1.088 1.00 65.21 H new ATOM 0 HA ALA A 57 -4.539 -0.807 -2.685 1.00 71.24 H new ATOM 0 HB1 ALA A 57 -6.824 -0.994 -3.646 1.00 2.11 H new ATOM 0 HB2 ALA A 57 -6.807 -1.377 -1.908 1.00 2.11 H new ATOM 0 HB3 ALA A 57 -7.405 0.204 -2.465 1.00 2.11 H new ATOM 838 N VAL A 58 -4.727 0.564 -4.808 1.00 73.13 N ATOM 839 CA VAL A 58 -4.499 1.404 -5.974 1.00 43.43 C ATOM 840 C VAL A 58 -5.267 0.881 -7.160 1.00 1.41 C ATOM 841 O VAL A 58 -5.755 -0.231 -7.131 1.00 62.51 O ATOM 842 CB VAL A 58 -3.007 1.564 -6.325 1.00 12.41 C ATOM 843 CG1 VAL A 58 -2.348 2.462 -5.305 1.00 61.11 C ATOM 844 CG2 VAL A 58 -2.304 0.207 -6.380 1.00 44.12 C ATOM 0 H VAL A 58 -4.615 -0.432 -4.997 1.00 73.13 H new ATOM 0 HA VAL A 58 -4.864 2.398 -5.715 1.00 43.43 H new ATOM 0 HB VAL A 58 -2.925 2.016 -7.313 1.00 12.41 H new ATOM 0 HG11 VAL A 58 -1.292 2.578 -5.550 1.00 61.11 H new ATOM 0 HG12 VAL A 58 -2.832 3.439 -5.314 1.00 61.11 H new ATOM 0 HG13 VAL A 58 -2.444 2.019 -4.314 1.00 61.11 H new ATOM 0 HG21 VAL A 58 -1.253 0.352 -6.630 1.00 44.12 H new ATOM 0 HG22 VAL A 58 -2.382 -0.283 -5.409 1.00 44.12 H new ATOM 0 HG23 VAL A 58 -2.775 -0.416 -7.140 1.00 44.12 H new ATOM 854 N ARG A 59 -5.389 1.671 -8.180 1.00 44.32 N ATOM 855 CA ARG A 59 -6.194 1.310 -9.316 1.00 51.13 C ATOM 856 C ARG A 59 -5.356 1.127 -10.575 1.00 33.43 C ATOM 857 O ARG A 59 -4.613 2.019 -10.970 1.00 14.22 O ATOM 858 CB ARG A 59 -7.290 2.370 -9.485 1.00 33.31 C ATOM 859 CG ARG A 59 -8.232 2.168 -10.645 1.00 1.54 C ATOM 860 CD ARG A 59 -9.448 3.080 -10.523 1.00 60.31 C ATOM 861 NE ARG A 59 -9.088 4.499 -10.418 1.00 24.21 N ATOM 862 CZ ARG A 59 -9.952 5.499 -10.158 1.00 23.53 C ATOM 863 NH1 ARG A 59 -11.260 5.246 -9.947 1.00 34.02 N ATOM 864 NH2 ARG A 59 -9.504 6.748 -10.091 1.00 55.32 N ATOM 0 H ARG A 59 -4.937 2.582 -8.254 1.00 44.32 H new ATOM 0 HA ARG A 59 -6.660 0.340 -9.143 1.00 51.13 H new ATOM 0 HB2 ARG A 59 -7.878 2.406 -8.568 1.00 33.31 H new ATOM 0 HB3 ARG A 59 -6.812 3.343 -9.596 1.00 33.31 H new ATOM 0 HG2 ARG A 59 -7.712 2.372 -11.581 1.00 1.54 H new ATOM 0 HG3 ARG A 59 -8.555 1.127 -10.680 1.00 1.54 H new ATOM 0 HD2 ARG A 59 -10.092 2.937 -11.391 1.00 60.31 H new ATOM 0 HD3 ARG A 59 -10.026 2.791 -9.645 1.00 60.31 H new ATOM 0 HE ARG A 59 -8.108 4.747 -10.552 1.00 24.21 H new ATOM 0 HH11 ARG A 59 -11.606 4.287 -9.983 1.00 34.02 H new ATOM 0 HH12 ARG A 59 -11.903 6.013 -9.751 1.00 34.02 H new ATOM 0 HH21 ARG A 59 -8.513 6.943 -10.236 1.00 55.32 H new ATOM 0 HH22 ARG A 59 -10.151 7.512 -9.895 1.00 55.32 H new ATOM 878 N ARG A 60 -5.505 -0.038 -11.199 1.00 72.10 N ATOM 879 CA ARG A 60 -4.805 -0.387 -12.429 1.00 1.54 C ATOM 880 C ARG A 60 -5.833 -0.578 -13.544 1.00 33.41 C ATOM 881 O ARG A 60 -6.693 -1.469 -13.474 1.00 71.04 O ATOM 882 CB ARG A 60 -3.952 -1.685 -12.271 1.00 62.22 C ATOM 883 CG ARG A 60 -4.750 -2.933 -11.868 1.00 53.51 C ATOM 884 CD ARG A 60 -3.937 -4.212 -11.973 1.00 54.15 C ATOM 885 NE ARG A 60 -4.725 -5.384 -11.547 1.00 42.33 N ATOM 886 CZ ARG A 60 -4.235 -6.608 -11.306 1.00 51.43 C ATOM 887 NH1 ARG A 60 -2.989 -6.920 -11.670 1.00 75.11 N ATOM 888 NH2 ARG A 60 -5.003 -7.531 -10.718 1.00 3.12 N ATOM 0 H ARG A 60 -6.123 -0.775 -10.859 1.00 72.10 H new ATOM 0 HA ARG A 60 -4.119 0.424 -12.673 1.00 1.54 H new ATOM 0 HB2 ARG A 60 -3.442 -1.885 -13.213 1.00 62.22 H new ATOM 0 HB3 ARG A 60 -3.180 -1.507 -11.523 1.00 62.22 H new ATOM 0 HG2 ARG A 60 -5.105 -2.817 -10.844 1.00 53.51 H new ATOM 0 HG3 ARG A 60 -5.632 -3.015 -12.503 1.00 53.51 H new ATOM 0 HD2 ARG A 60 -3.603 -4.350 -13.001 1.00 54.15 H new ATOM 0 HD3 ARG A 60 -3.042 -4.129 -11.356 1.00 54.15 H new ATOM 0 HE ARG A 60 -5.729 -5.252 -11.425 1.00 42.33 H new ATOM 0 HH11 ARG A 60 -2.404 -6.225 -12.134 1.00 75.11 H new ATOM 0 HH12 ARG A 60 -2.622 -7.853 -11.484 1.00 75.11 H new ATOM 0 HH21 ARG A 60 -5.961 -7.304 -10.453 1.00 3.12 H new ATOM 0 HH22 ARG A 60 -4.631 -8.463 -10.534 1.00 3.12 H new ATOM 902 N ALA A 61 -5.793 0.304 -14.527 1.00 15.15 N ATOM 903 CA ALA A 61 -6.699 0.289 -15.702 1.00 44.41 C ATOM 904 C ALA A 61 -8.205 0.345 -15.320 1.00 34.21 C ATOM 905 O ALA A 61 -9.079 0.186 -16.169 1.00 11.25 O ATOM 906 CB ALA A 61 -6.401 -0.919 -16.595 1.00 53.25 C ATOM 0 H ALA A 61 -5.123 1.073 -14.548 1.00 15.15 H new ATOM 0 HA ALA A 61 -6.498 1.203 -16.261 1.00 44.41 H new ATOM 0 HB1 ALA A 61 -7.075 -0.913 -17.452 1.00 53.25 H new ATOM 0 HB2 ALA A 61 -5.370 -0.868 -16.944 1.00 53.25 H new ATOM 0 HB3 ALA A 61 -6.546 -1.837 -16.025 1.00 53.25 H new ATOM 912 N GLY A 62 -8.484 0.593 -14.053 1.00 34.12 N ATOM 913 CA GLY A 62 -9.841 0.624 -13.578 1.00 31.03 C ATOM 914 C GLY A 62 -10.035 -0.253 -12.355 1.00 64.14 C ATOM 915 O GLY A 62 -10.844 0.055 -11.488 1.00 21.20 O ATOM 0 H GLY A 62 -7.780 0.776 -13.338 1.00 34.12 H new ATOM 0 HA2 GLY A 62 -10.117 1.650 -13.336 1.00 31.03 H new ATOM 0 HA3 GLY A 62 -10.511 0.293 -14.372 1.00 31.03 H new ATOM 919 N GLY A 63 -9.244 -1.298 -12.249 1.00 71.02 N ATOM 920 CA GLY A 63 -9.398 -2.251 -11.174 1.00 74.42 C ATOM 921 C GLY A 63 -8.703 -1.818 -9.928 1.00 33.34 C ATOM 922 O GLY A 63 -7.614 -1.268 -9.992 1.00 23.11 O ATOM 0 H GLY A 63 -8.485 -1.509 -12.897 1.00 71.02 H new ATOM 0 HA2 GLY A 63 -10.459 -2.391 -10.965 1.00 74.42 H new ATOM 0 HA3 GLY A 63 -9.005 -3.217 -11.489 1.00 74.42 H new ATOM 926 N VAL A 64 -9.318 -2.065 -8.802 1.00 41.53 N ATOM 927 CA VAL A 64 -8.746 -1.683 -7.535 1.00 53.33 C ATOM 928 C VAL A 64 -8.044 -2.899 -6.958 1.00 71.13 C ATOM 929 O VAL A 64 -8.669 -3.953 -6.720 1.00 51.21 O ATOM 930 CB VAL A 64 -9.838 -1.172 -6.555 1.00 54.22 C ATOM 931 CG1 VAL A 64 -9.224 -0.725 -5.238 1.00 35.32 C ATOM 932 CG2 VAL A 64 -10.638 -0.033 -7.182 1.00 15.04 C ATOM 0 H VAL A 64 -10.222 -2.533 -8.735 1.00 41.53 H new ATOM 0 HA VAL A 64 -8.040 -0.866 -7.681 1.00 53.33 H new ATOM 0 HB VAL A 64 -10.517 -2.000 -6.351 1.00 54.22 H new ATOM 0 HG11 VAL A 64 -10.011 -0.372 -4.571 1.00 35.32 H new ATOM 0 HG12 VAL A 64 -8.705 -1.564 -4.775 1.00 35.32 H new ATOM 0 HG13 VAL A 64 -8.515 0.083 -5.422 1.00 35.32 H new ATOM 0 HG21 VAL A 64 -11.397 0.309 -6.478 1.00 15.04 H new ATOM 0 HG22 VAL A 64 -9.968 0.792 -7.423 1.00 15.04 H new ATOM 0 HG23 VAL A 64 -11.121 -0.386 -8.093 1.00 15.04 H new ATOM 942 N VAL A 65 -6.762 -2.746 -6.737 1.00 32.53 N ATOM 943 CA VAL A 65 -5.893 -3.823 -6.357 1.00 72.24 C ATOM 944 C VAL A 65 -4.990 -3.471 -5.203 1.00 60.03 C ATOM 945 O VAL A 65 -4.738 -2.290 -4.912 1.00 4.14 O ATOM 946 CB VAL A 65 -5.014 -4.276 -7.546 1.00 31.25 C ATOM 947 CG1 VAL A 65 -5.865 -4.919 -8.590 1.00 54.32 C ATOM 948 CG2 VAL A 65 -4.257 -3.099 -8.151 1.00 23.42 C ATOM 0 H VAL A 65 -6.287 -1.847 -6.819 1.00 32.53 H new ATOM 0 HA VAL A 65 -6.552 -4.633 -6.043 1.00 72.24 H new ATOM 0 HB VAL A 65 -4.285 -4.996 -7.174 1.00 31.25 H new ATOM 0 HG11 VAL A 65 -5.240 -5.236 -9.425 1.00 54.32 H new ATOM 0 HG12 VAL A 65 -6.369 -5.787 -8.165 1.00 54.32 H new ATOM 0 HG13 VAL A 65 -6.608 -4.205 -8.944 1.00 54.32 H new ATOM 0 HG21 VAL A 65 -3.648 -3.448 -8.985 1.00 23.42 H new ATOM 0 HG22 VAL A 65 -4.968 -2.354 -8.508 1.00 23.42 H new ATOM 0 HG23 VAL A 65 -3.613 -2.652 -7.393 1.00 23.42 H new ATOM 958 N ILE A 66 -4.502 -4.506 -4.569 1.00 2.12 N ATOM 959 CA ILE A 66 -3.594 -4.413 -3.463 1.00 30.01 C ATOM 960 C ILE A 66 -2.417 -5.351 -3.776 1.00 53.23 C ATOM 961 O ILE A 66 -2.633 -6.515 -4.110 1.00 45.53 O ATOM 962 CB ILE A 66 -4.233 -4.864 -2.084 1.00 73.31 C ATOM 963 CG1 ILE A 66 -5.512 -4.070 -1.695 1.00 51.42 C ATOM 964 CG2 ILE A 66 -3.211 -4.735 -0.964 1.00 24.10 C ATOM 965 CD1 ILE A 66 -6.779 -4.433 -2.457 1.00 11.52 C ATOM 0 H ILE A 66 -4.736 -5.467 -4.819 1.00 2.12 H new ATOM 0 HA ILE A 66 -3.300 -3.370 -3.349 1.00 30.01 H new ATOM 0 HB ILE A 66 -4.531 -5.903 -2.221 1.00 73.31 H new ATOM 0 HG12 ILE A 66 -5.697 -4.216 -0.631 1.00 51.42 H new ATOM 0 HG13 ILE A 66 -5.315 -3.008 -1.841 1.00 51.42 H new ATOM 0 HG21 ILE A 66 -3.662 -5.048 -0.022 1.00 24.10 H new ATOM 0 HG22 ILE A 66 -2.351 -5.368 -1.182 1.00 24.10 H new ATOM 0 HG23 ILE A 66 -2.887 -3.697 -0.884 1.00 24.10 H new ATOM 0 HD11 ILE A 66 -7.606 -3.817 -2.103 1.00 11.52 H new ATOM 0 HD12 ILE A 66 -6.626 -4.258 -3.522 1.00 11.52 H new ATOM 0 HD13 ILE A 66 -7.014 -5.485 -2.293 1.00 11.52 H new ATOM 977 N PRO A 67 -1.178 -4.862 -3.740 1.00 20.20 N ATOM 978 CA PRO A 67 0.014 -5.695 -3.992 1.00 15.34 C ATOM 979 C PRO A 67 0.137 -6.863 -3.011 1.00 11.32 C ATOM 980 O PRO A 67 0.047 -6.679 -1.800 1.00 14.53 O ATOM 981 CB PRO A 67 1.173 -4.721 -3.782 1.00 22.05 C ATOM 982 CG PRO A 67 0.584 -3.368 -3.977 1.00 53.31 C ATOM 983 CD PRO A 67 -0.818 -3.457 -3.465 1.00 64.21 C ATOM 0 HA PRO A 67 -0.018 -6.152 -4.981 1.00 15.34 H new ATOM 0 HB2 PRO A 67 1.599 -4.825 -2.784 1.00 22.05 H new ATOM 0 HB3 PRO A 67 1.978 -4.907 -4.493 1.00 22.05 H new ATOM 0 HG2 PRO A 67 1.152 -2.612 -3.434 1.00 53.31 H new ATOM 0 HG3 PRO A 67 0.599 -3.083 -5.029 1.00 53.31 H new ATOM 0 HD2 PRO A 67 -0.876 -3.225 -2.401 1.00 64.21 H new ATOM 0 HD3 PRO A 67 -1.481 -2.761 -3.979 1.00 64.21 H new ATOM 991 N GLN A 68 0.355 -8.075 -3.554 1.00 10.23 N ATOM 992 CA GLN A 68 0.551 -9.302 -2.755 1.00 50.23 C ATOM 993 C GLN A 68 1.658 -9.170 -1.718 1.00 22.24 C ATOM 994 O GLN A 68 1.662 -9.875 -0.718 1.00 51.21 O ATOM 995 CB GLN A 68 0.893 -10.440 -3.661 1.00 51.21 C ATOM 996 CG GLN A 68 -0.110 -10.654 -4.731 1.00 33.43 C ATOM 997 CD GLN A 68 0.098 -11.905 -5.501 1.00 44.22 C ATOM 998 OE1 GLN A 68 1.208 -12.421 -5.611 1.00 32.42 O ATOM 999 NE2 GLN A 68 -0.936 -12.328 -6.115 1.00 34.43 N ATOM 0 H GLN A 68 0.401 -8.233 -4.561 1.00 10.23 H new ATOM 0 HA GLN A 68 -0.385 -9.479 -2.225 1.00 50.23 H new ATOM 0 HB2 GLN A 68 1.866 -10.255 -4.116 1.00 51.21 H new ATOM 0 HB3 GLN A 68 0.985 -11.351 -3.070 1.00 51.21 H new ATOM 0 HG2 GLN A 68 -1.105 -10.673 -4.286 1.00 33.43 H new ATOM 0 HG3 GLN A 68 -0.083 -9.807 -5.417 1.00 33.43 H new ATOM 0 HE21 GLN A 68 -1.833 -11.860 -5.986 1.00 34.43 H new ATOM 0 HE22 GLN A 68 -0.866 -13.134 -6.736 1.00 34.43 H new ATOM 1008 N VAL A 69 2.589 -8.281 -1.981 1.00 23.31 N ATOM 1009 CA VAL A 69 3.721 -8.033 -1.101 1.00 14.15 C ATOM 1010 C VAL A 69 3.290 -7.407 0.249 1.00 31.52 C ATOM 1011 O VAL A 69 4.086 -7.326 1.184 1.00 24.41 O ATOM 1012 CB VAL A 69 4.789 -7.151 -1.800 1.00 14.44 C ATOM 1013 CG1 VAL A 69 5.386 -7.880 -2.993 1.00 21.02 C ATOM 1014 CG2 VAL A 69 4.184 -5.837 -2.259 1.00 12.04 C ATOM 0 H VAL A 69 2.586 -7.701 -2.820 1.00 23.31 H new ATOM 0 HA VAL A 69 4.166 -9.003 -0.879 1.00 14.15 H new ATOM 0 HB VAL A 69 5.578 -6.944 -1.077 1.00 14.44 H new ATOM 0 HG11 VAL A 69 6.133 -7.246 -3.470 1.00 21.02 H new ATOM 0 HG12 VAL A 69 5.856 -8.804 -2.657 1.00 21.02 H new ATOM 0 HG13 VAL A 69 4.598 -8.114 -3.708 1.00 21.02 H new ATOM 0 HG21 VAL A 69 4.950 -5.234 -2.746 1.00 12.04 H new ATOM 0 HG22 VAL A 69 3.376 -6.035 -2.963 1.00 12.04 H new ATOM 0 HG23 VAL A 69 3.791 -5.297 -1.398 1.00 12.04 H new ATOM 1024 N PHE A 70 2.025 -6.970 0.324 1.00 34.11 N ATOM 1025 CA PHE A 70 1.419 -6.441 1.554 1.00 1.04 C ATOM 1026 C PHE A 70 0.870 -7.576 2.404 1.00 52.41 C ATOM 1027 O PHE A 70 0.382 -7.369 3.526 1.00 51.14 O ATOM 1028 CB PHE A 70 0.266 -5.481 1.219 1.00 53.41 C ATOM 1029 CG PHE A 70 0.670 -4.057 0.995 1.00 62.43 C ATOM 1030 CD1 PHE A 70 1.587 -3.713 0.027 1.00 31.01 C ATOM 1031 CD2 PHE A 70 0.116 -3.055 1.773 1.00 73.14 C ATOM 1032 CE1 PHE A 70 1.946 -2.398 -0.160 1.00 62.32 C ATOM 1033 CE2 PHE A 70 0.467 -1.741 1.594 1.00 43.51 C ATOM 1034 CZ PHE A 70 1.383 -1.409 0.631 1.00 32.12 C ATOM 0 H PHE A 70 1.389 -6.974 -0.473 1.00 34.11 H new ATOM 0 HA PHE A 70 2.194 -5.907 2.104 1.00 1.04 H new ATOM 0 HB2 PHE A 70 -0.240 -5.844 0.324 1.00 53.41 H new ATOM 0 HB3 PHE A 70 -0.460 -5.513 2.031 1.00 53.41 H new ATOM 0 HD1 PHE A 70 2.028 -4.482 -0.590 1.00 31.01 H new ATOM 0 HD2 PHE A 70 -0.605 -3.312 2.534 1.00 73.14 H new ATOM 0 HE1 PHE A 70 2.665 -2.137 -0.922 1.00 62.32 H new ATOM 0 HE2 PHE A 70 0.023 -0.972 2.209 1.00 43.51 H new ATOM 0 HZ PHE A 70 1.666 -0.377 0.488 1.00 32.12 H new ATOM 1044 N PHE A 71 0.930 -8.757 1.869 1.00 54.40 N ATOM 1045 CA PHE A 71 0.393 -9.903 2.516 1.00 43.42 C ATOM 1046 C PHE A 71 1.491 -10.876 2.835 1.00 35.24 C ATOM 1047 O PHE A 71 2.552 -10.891 2.183 1.00 71.31 O ATOM 1048 CB PHE A 71 -0.667 -10.581 1.635 1.00 72.22 C ATOM 1049 CG PHE A 71 -1.887 -9.743 1.364 1.00 24.25 C ATOM 1050 CD1 PHE A 71 -1.900 -8.825 0.333 1.00 51.53 C ATOM 1051 CD2 PHE A 71 -3.023 -9.883 2.137 1.00 32.41 C ATOM 1052 CE1 PHE A 71 -3.018 -8.067 0.078 1.00 32.51 C ATOM 1053 CE2 PHE A 71 -4.146 -9.126 1.889 1.00 13.21 C ATOM 1054 CZ PHE A 71 -4.144 -8.216 0.857 1.00 63.22 C ATOM 0 H PHE A 71 1.358 -8.949 0.963 1.00 54.40 H new ATOM 0 HA PHE A 71 -0.083 -9.582 3.443 1.00 43.42 H new ATOM 0 HB2 PHE A 71 -0.210 -10.852 0.683 1.00 72.22 H new ATOM 0 HB3 PHE A 71 -0.979 -11.509 2.114 1.00 72.22 H new ATOM 0 HD1 PHE A 71 -1.020 -8.701 -0.281 1.00 51.53 H new ATOM 0 HD2 PHE A 71 -3.031 -10.597 2.948 1.00 32.41 H new ATOM 0 HE1 PHE A 71 -3.013 -7.354 -0.733 1.00 32.51 H new ATOM 0 HE2 PHE A 71 -5.026 -9.246 2.503 1.00 13.21 H new ATOM 0 HZ PHE A 71 -5.023 -7.620 0.658 1.00 63.22 H new ATOM 1064 N THR A 72 1.244 -11.675 3.823 1.00 30.34 N ATOM 1065 CA THR A 72 2.157 -12.681 4.237 1.00 14.35 C ATOM 1066 C THR A 72 2.113 -13.845 3.253 1.00 51.33 C ATOM 1067 O THR A 72 1.292 -13.861 2.319 1.00 44.30 O ATOM 1068 CB THR A 72 1.797 -13.187 5.655 1.00 13.44 C ATOM 1069 OG1 THR A 72 0.417 -13.621 5.688 1.00 4.21 O ATOM 1070 CG2 THR A 72 2.010 -12.092 6.694 1.00 74.12 C ATOM 0 H THR A 72 0.385 -11.643 4.372 1.00 30.34 H new ATOM 0 HA THR A 72 3.161 -12.257 4.260 1.00 14.35 H new ATOM 0 HB THR A 72 2.451 -14.026 5.893 1.00 13.44 H new ATOM 0 HG1 THR A 72 0.196 -13.941 6.587 1.00 4.21 H new ATOM 0 HG21 THR A 72 1.750 -12.472 7.682 1.00 74.12 H new ATOM 0 HG22 THR A 72 3.055 -11.783 6.688 1.00 74.12 H new ATOM 0 HG23 THR A 72 1.377 -11.237 6.456 1.00 74.12 H new ATOM 1078 N ASN A 73 2.969 -14.813 3.466 1.00 73.40 N ATOM 1079 CA ASN A 73 3.017 -16.038 2.656 1.00 74.22 C ATOM 1080 C ASN A 73 1.673 -16.800 2.714 1.00 21.13 C ATOM 1081 O ASN A 73 1.375 -17.625 1.847 1.00 11.32 O ATOM 1082 CB ASN A 73 4.164 -16.960 3.134 1.00 34.23 C ATOM 1083 CG ASN A 73 3.990 -17.484 4.565 1.00 63.42 C ATOM 1084 OD1 ASN A 73 3.393 -16.825 5.426 1.00 12.10 O ATOM 1085 ND2 ASN A 73 4.519 -18.649 4.832 1.00 71.13 N ATOM 0 H ASN A 73 3.666 -14.787 4.211 1.00 73.40 H new ATOM 0 HA ASN A 73 3.202 -15.744 1.623 1.00 74.22 H new ATOM 0 HB2 ASN A 73 4.241 -17.809 2.454 1.00 34.23 H new ATOM 0 HB3 ASN A 73 5.105 -16.414 3.070 1.00 34.23 H new ATOM 0 HD21 ASN A 73 4.446 -19.039 5.772 1.00 71.13 H new ATOM 0 HD22 ASN A 73 5.005 -19.168 4.101 1.00 71.13 H new ATOM 1092 N SER A 74 0.877 -16.501 3.729 1.00 71.45 N ATOM 1093 CA SER A 74 -0.418 -17.105 3.920 1.00 73.14 C ATOM 1094 C SER A 74 -1.508 -16.316 3.152 1.00 2.13 C ATOM 1095 O SER A 74 -2.654 -16.770 3.038 1.00 31.11 O ATOM 1096 CB SER A 74 -0.725 -17.160 5.434 1.00 34.51 C ATOM 1097 OG SER A 74 -1.950 -17.824 5.719 1.00 2.44 O ATOM 0 H SER A 74 1.122 -15.822 4.449 1.00 71.45 H new ATOM 0 HA SER A 74 -0.414 -18.119 3.521 1.00 73.14 H new ATOM 0 HB2 SER A 74 0.089 -17.671 5.948 1.00 34.51 H new ATOM 0 HB3 SER A 74 -0.765 -16.145 5.830 1.00 34.51 H new ATOM 0 HG SER A 74 -2.585 -17.666 4.990 1.00 2.44 H new ATOM 1103 N GLY A 75 -1.143 -15.160 2.612 1.00 74.11 N ATOM 1104 CA GLY A 75 -2.096 -14.336 1.911 1.00 23.55 C ATOM 1105 C GLY A 75 -2.931 -13.529 2.868 1.00 64.11 C ATOM 1106 O GLY A 75 -4.049 -13.166 2.568 1.00 5.11 O ATOM 0 H GLY A 75 -0.197 -14.781 2.650 1.00 74.11 H new ATOM 0 HA2 GLY A 75 -1.570 -13.666 1.231 1.00 23.55 H new ATOM 0 HA3 GLY A 75 -2.744 -14.965 1.301 1.00 23.55 H new ATOM 1110 N GLN A 76 -2.390 -13.264 4.029 1.00 73.53 N ATOM 1111 CA GLN A 76 -3.108 -12.516 5.031 1.00 41.15 C ATOM 1112 C GLN A 76 -2.390 -11.214 5.284 1.00 74.02 C ATOM 1113 O GLN A 76 -1.190 -11.109 5.007 1.00 3.25 O ATOM 1114 CB GLN A 76 -3.232 -13.331 6.320 1.00 11.34 C ATOM 1115 CG GLN A 76 -3.879 -14.695 6.115 1.00 51.40 C ATOM 1116 CD GLN A 76 -5.278 -14.613 5.523 1.00 41.45 C ATOM 1117 OE1 GLN A 76 -6.013 -13.665 5.758 1.00 31.43 O ATOM 1118 NE2 GLN A 76 -5.643 -15.591 4.743 1.00 3.32 N ATOM 0 H GLN A 76 -1.452 -13.555 4.305 1.00 73.53 H new ATOM 0 HA GLN A 76 -4.116 -12.304 4.675 1.00 41.15 H new ATOM 0 HB2 GLN A 76 -2.240 -13.469 6.750 1.00 11.34 H new ATOM 0 HB3 GLN A 76 -3.818 -12.765 7.044 1.00 11.34 H new ATOM 0 HG2 GLN A 76 -3.248 -15.294 5.458 1.00 51.40 H new ATOM 0 HG3 GLN A 76 -3.927 -15.215 7.072 1.00 51.40 H new ATOM 0 HE21 GLN A 76 -5.006 -16.368 4.567 1.00 3.32 H new ATOM 0 HE22 GLN A 76 -6.566 -15.580 4.308 1.00 3.32 H new ATOM 1127 N VAL A 77 -3.097 -10.238 5.798 1.00 54.33 N ATOM 1128 CA VAL A 77 -2.527 -8.919 6.029 1.00 0.12 C ATOM 1129 C VAL A 77 -1.530 -8.994 7.171 1.00 74.01 C ATOM 1130 O VAL A 77 -1.845 -9.545 8.238 1.00 1.32 O ATOM 1131 CB VAL A 77 -3.629 -7.858 6.366 1.00 14.33 C ATOM 1132 CG1 VAL A 77 -3.024 -6.470 6.569 1.00 31.34 C ATOM 1133 CG2 VAL A 77 -4.690 -7.813 5.276 1.00 72.31 C ATOM 0 H VAL A 77 -4.076 -10.326 6.069 1.00 54.33 H new ATOM 0 HA VAL A 77 -2.030 -8.603 5.112 1.00 0.12 H new ATOM 0 HB VAL A 77 -4.100 -8.163 7.300 1.00 14.33 H new ATOM 0 HG11 VAL A 77 -3.816 -5.758 6.801 1.00 31.34 H new ATOM 0 HG12 VAL A 77 -2.311 -6.501 7.393 1.00 31.34 H new ATOM 0 HG13 VAL A 77 -2.513 -6.159 5.658 1.00 31.34 H new ATOM 0 HG21 VAL A 77 -5.444 -7.069 5.533 1.00 72.31 H new ATOM 0 HG22 VAL A 77 -4.225 -7.546 4.327 1.00 72.31 H new ATOM 0 HG23 VAL A 77 -5.162 -8.792 5.187 1.00 72.31 H new ATOM 1143 N VAL A 78 -0.327 -8.488 6.934 1.00 32.53 N ATOM 1144 CA VAL A 78 0.714 -8.457 7.950 1.00 61.41 C ATOM 1145 C VAL A 78 0.214 -7.611 9.111 1.00 65.01 C ATOM 1146 O VAL A 78 -0.101 -6.450 8.925 1.00 43.13 O ATOM 1147 CB VAL A 78 2.021 -7.804 7.415 1.00 22.43 C ATOM 1148 CG1 VAL A 78 3.161 -7.921 8.420 1.00 13.14 C ATOM 1149 CG2 VAL A 78 2.429 -8.361 6.065 1.00 53.34 C ATOM 0 H VAL A 78 -0.047 -8.090 6.037 1.00 32.53 H new ATOM 0 HA VAL A 78 0.933 -9.482 8.249 1.00 61.41 H new ATOM 0 HB VAL A 78 1.804 -6.745 7.277 1.00 22.43 H new ATOM 0 HG11 VAL A 78 4.056 -7.454 8.010 1.00 13.14 H new ATOM 0 HG12 VAL A 78 2.882 -7.420 9.347 1.00 13.14 H new ATOM 0 HG13 VAL A 78 3.361 -8.973 8.622 1.00 13.14 H new ATOM 0 HG21 VAL A 78 3.346 -7.875 5.733 1.00 53.34 H new ATOM 0 HG22 VAL A 78 2.598 -9.434 6.150 1.00 53.34 H new ATOM 0 HG23 VAL A 78 1.637 -8.175 5.340 1.00 53.34 H new ATOM 1159 N LYS A 79 0.151 -8.191 10.290 1.00 44.05 N ATOM 1160 CA LYS A 79 -0.376 -7.500 11.478 1.00 73.25 C ATOM 1161 C LYS A 79 0.402 -6.224 11.852 1.00 1.32 C ATOM 1162 O LYS A 79 -0.118 -5.346 12.524 1.00 4.31 O ATOM 1163 CB LYS A 79 -0.455 -8.441 12.666 1.00 54.23 C ATOM 1164 CG LYS A 79 0.874 -8.988 13.085 1.00 52.40 C ATOM 1165 CD LYS A 79 0.728 -9.878 14.304 1.00 31.44 C ATOM 1166 CE LYS A 79 2.061 -10.407 14.809 1.00 74.45 C ATOM 1167 NZ LYS A 79 2.746 -11.271 13.832 1.00 35.15 N ATOM 0 H LYS A 79 0.458 -9.148 10.466 1.00 44.05 H new ATOM 0 HA LYS A 79 -1.381 -7.176 11.207 1.00 73.25 H new ATOM 0 HB2 LYS A 79 -0.903 -7.913 13.508 1.00 54.23 H new ATOM 0 HB3 LYS A 79 -1.119 -9.270 12.419 1.00 54.23 H new ATOM 0 HG2 LYS A 79 1.314 -9.556 12.265 1.00 52.40 H new ATOM 0 HG3 LYS A 79 1.557 -8.168 13.307 1.00 52.40 H new ATOM 0 HD2 LYS A 79 0.239 -9.318 15.101 1.00 31.44 H new ATOM 0 HD3 LYS A 79 0.078 -10.718 14.059 1.00 31.44 H new ATOM 0 HE2 LYS A 79 2.708 -9.566 15.058 1.00 74.45 H new ATOM 0 HE3 LYS A 79 1.898 -10.967 15.729 1.00 74.45 H new ATOM 0 HZ1 LYS A 79 3.614 -11.655 14.257 1.00 35.15 H new ATOM 0 HZ2 LYS A 79 2.118 -12.054 13.560 1.00 35.15 H new ATOM 0 HZ3 LYS A 79 2.991 -10.715 12.988 1.00 35.15 H new ATOM 1181 N SER A 80 1.631 -6.135 11.416 1.00 42.43 N ATOM 1182 CA SER A 80 2.469 -4.993 11.706 1.00 51.12 C ATOM 1183 C SER A 80 2.274 -3.879 10.648 1.00 42.14 C ATOM 1184 O SER A 80 2.634 -2.715 10.867 1.00 54.21 O ATOM 1185 CB SER A 80 3.914 -5.472 11.728 1.00 11.13 C ATOM 1186 OG SER A 80 4.043 -6.588 12.606 1.00 54.21 O ATOM 0 H SER A 80 2.083 -6.852 10.848 1.00 42.43 H new ATOM 0 HA SER A 80 2.198 -4.565 12.671 1.00 51.12 H new ATOM 0 HB2 SER A 80 4.229 -5.751 10.723 1.00 11.13 H new ATOM 0 HB3 SER A 80 4.569 -4.664 12.054 1.00 11.13 H new ATOM 0 HG SER A 80 4.975 -6.892 12.614 1.00 54.21 H new ATOM 1192 N LEU A 81 1.674 -4.252 9.529 1.00 22.24 N ATOM 1193 CA LEU A 81 1.480 -3.365 8.394 1.00 3.54 C ATOM 1194 C LEU A 81 0.505 -2.167 8.645 1.00 15.53 C ATOM 1195 O LEU A 81 0.841 -1.034 8.290 1.00 60.45 O ATOM 1196 CB LEU A 81 1.173 -4.187 7.125 1.00 60.15 C ATOM 1197 CG LEU A 81 0.938 -3.444 5.815 1.00 33.30 C ATOM 1198 CD1 LEU A 81 1.377 -4.331 4.678 1.00 3.44 C ATOM 1199 CD2 LEU A 81 -0.539 -3.116 5.641 1.00 54.53 C ATOM 0 H LEU A 81 1.304 -5.191 9.382 1.00 22.24 H new ATOM 0 HA LEU A 81 2.425 -2.847 8.231 1.00 3.54 H new ATOM 0 HB2 LEU A 81 2.001 -4.878 6.970 1.00 60.15 H new ATOM 0 HB3 LEU A 81 0.288 -4.790 7.327 1.00 60.15 H new ATOM 0 HG LEU A 81 1.505 -2.513 5.825 1.00 33.30 H new ATOM 0 HD11 LEU A 81 1.216 -3.815 3.731 1.00 3.44 H new ATOM 0 HD12 LEU A 81 2.436 -4.566 4.788 1.00 3.44 H new ATOM 0 HD13 LEU A 81 0.797 -5.254 4.692 1.00 3.44 H new ATOM 0 HD21 LEU A 81 -0.686 -2.586 4.700 1.00 54.53 H new ATOM 0 HD22 LEU A 81 -1.118 -4.039 5.631 1.00 54.53 H new ATOM 0 HD23 LEU A 81 -0.872 -2.488 6.467 1.00 54.53 H new ATOM 1211 N PRO A 82 -0.708 -2.375 9.272 1.00 74.53 N ATOM 1212 CA PRO A 82 -1.651 -1.265 9.571 1.00 53.42 C ATOM 1213 C PRO A 82 -0.990 -0.155 10.395 1.00 72.43 C ATOM 1214 O PRO A 82 -1.357 1.029 10.292 1.00 34.22 O ATOM 1215 CB PRO A 82 -2.745 -1.947 10.393 1.00 72.35 C ATOM 1216 CG PRO A 82 -2.723 -3.352 9.926 1.00 31.04 C ATOM 1217 CD PRO A 82 -1.288 -3.674 9.686 1.00 3.11 C ATOM 0 HA PRO A 82 -2.014 -0.780 8.665 1.00 53.42 H new ATOM 0 HB2 PRO A 82 -2.542 -1.879 11.462 1.00 72.35 H new ATOM 0 HB3 PRO A 82 -3.718 -1.485 10.223 1.00 72.35 H new ATOM 0 HG2 PRO A 82 -3.155 -4.019 10.672 1.00 31.04 H new ATOM 0 HG3 PRO A 82 -3.309 -3.471 9.015 1.00 31.04 H new ATOM 0 HD2 PRO A 82 -0.807 -4.060 10.585 1.00 3.11 H new ATOM 0 HD3 PRO A 82 -1.171 -4.432 8.911 1.00 3.11 H new ATOM 1225 N GLY A 83 0.003 -0.540 11.184 1.00 73.23 N ATOM 1226 CA GLY A 83 0.741 0.397 11.988 1.00 0.03 C ATOM 1227 C GLY A 83 1.498 1.405 11.146 1.00 30.13 C ATOM 1228 O GLY A 83 1.484 2.607 11.445 1.00 14.35 O ATOM 0 H GLY A 83 0.311 -1.508 11.278 1.00 73.23 H new ATOM 0 HA2 GLY A 83 0.054 0.923 12.651 1.00 0.03 H new ATOM 0 HA3 GLY A 83 1.443 -0.145 12.621 1.00 0.03 H new ATOM 1232 N LEU A 84 2.136 0.930 10.072 1.00 24.41 N ATOM 1233 CA LEU A 84 2.900 1.814 9.204 1.00 70.24 C ATOM 1234 C LEU A 84 1.952 2.744 8.464 1.00 74.33 C ATOM 1235 O LEU A 84 2.204 3.927 8.339 1.00 71.04 O ATOM 1236 CB LEU A 84 3.838 1.031 8.226 1.00 20.01 C ATOM 1237 CG LEU A 84 3.216 0.353 6.983 1.00 65.01 C ATOM 1238 CD1 LEU A 84 3.157 1.309 5.780 1.00 64.43 C ATOM 1239 CD2 LEU A 84 3.961 -0.921 6.627 1.00 33.23 C ATOM 0 H LEU A 84 2.136 -0.050 9.790 1.00 24.41 H new ATOM 0 HA LEU A 84 3.564 2.413 9.827 1.00 70.24 H new ATOM 0 HB2 LEU A 84 4.603 1.724 7.876 1.00 20.01 H new ATOM 0 HB3 LEU A 84 4.347 0.259 8.803 1.00 20.01 H new ATOM 0 HG LEU A 84 2.190 0.088 7.239 1.00 65.01 H new ATOM 0 HD11 LEU A 84 2.714 0.794 4.928 1.00 64.43 H new ATOM 0 HD12 LEU A 84 2.550 2.178 6.035 1.00 64.43 H new ATOM 0 HD13 LEU A 84 4.165 1.634 5.523 1.00 64.43 H new ATOM 0 HD21 LEU A 84 3.503 -1.377 5.750 1.00 33.23 H new ATOM 0 HD22 LEU A 84 5.003 -0.685 6.411 1.00 33.23 H new ATOM 0 HD23 LEU A 84 3.913 -1.617 7.465 1.00 33.23 H new ATOM 1251 N LEU A 85 0.831 2.201 8.022 1.00 62.05 N ATOM 1252 CA LEU A 85 -0.146 2.975 7.276 1.00 5.13 C ATOM 1253 C LEU A 85 -0.701 4.097 8.123 1.00 50.43 C ATOM 1254 O LEU A 85 -0.886 5.209 7.650 1.00 3.22 O ATOM 1255 CB LEU A 85 -1.277 2.084 6.778 1.00 52.04 C ATOM 1256 CG LEU A 85 -0.884 0.972 5.805 1.00 54.01 C ATOM 1257 CD1 LEU A 85 -2.088 0.130 5.471 1.00 64.33 C ATOM 1258 CD2 LEU A 85 -0.280 1.553 4.533 1.00 54.31 C ATOM 0 H LEU A 85 0.574 1.225 8.167 1.00 62.05 H new ATOM 0 HA LEU A 85 0.359 3.409 6.413 1.00 5.13 H new ATOM 0 HB2 LEU A 85 -1.759 1.628 7.642 1.00 52.04 H new ATOM 0 HB3 LEU A 85 -2.022 2.715 6.294 1.00 52.04 H new ATOM 0 HG LEU A 85 -0.132 0.345 6.284 1.00 54.01 H new ATOM 0 HD11 LEU A 85 -1.799 -0.660 4.777 1.00 64.33 H new ATOM 0 HD12 LEU A 85 -2.485 -0.316 6.383 1.00 64.33 H new ATOM 0 HD13 LEU A 85 -2.853 0.755 5.010 1.00 64.33 H new ATOM 0 HD21 LEU A 85 -0.008 0.743 3.856 1.00 54.31 H new ATOM 0 HD22 LEU A 85 -1.009 2.202 4.048 1.00 54.31 H new ATOM 0 HD23 LEU A 85 0.610 2.130 4.784 1.00 54.31 H new ATOM 1270 N THR A 86 -0.892 3.815 9.384 1.00 74.22 N ATOM 1271 CA THR A 86 -1.459 4.779 10.292 1.00 63.43 C ATOM 1272 C THR A 86 -0.499 5.970 10.555 1.00 31.33 C ATOM 1273 O THR A 86 -0.937 7.125 10.567 1.00 12.41 O ATOM 1274 CB THR A 86 -1.930 4.100 11.599 1.00 2.32 C ATOM 1275 OG1 THR A 86 -2.877 3.057 11.253 1.00 22.10 O ATOM 1276 CG2 THR A 86 -2.609 5.101 12.528 1.00 32.54 C ATOM 0 H THR A 86 -0.661 2.917 9.810 1.00 74.22 H new ATOM 0 HA THR A 86 -2.341 5.204 9.813 1.00 63.43 H new ATOM 0 HB THR A 86 -1.064 3.689 12.117 1.00 2.32 H new ATOM 0 HG1 THR A 86 -2.402 2.309 10.834 1.00 22.10 H new ATOM 0 HG21 THR A 86 -2.929 4.594 13.438 1.00 32.54 H new ATOM 0 HG22 THR A 86 -1.907 5.895 12.783 1.00 32.54 H new ATOM 0 HG23 THR A 86 -3.477 5.531 12.028 1.00 32.54 H new ATOM 1284 N ILE A 87 0.809 5.703 10.696 1.00 33.54 N ATOM 1285 CA ILE A 87 1.758 6.796 10.924 1.00 65.35 C ATOM 1286 C ILE A 87 1.843 7.705 9.682 1.00 23.03 C ATOM 1287 O ILE A 87 1.821 8.934 9.799 1.00 23.31 O ATOM 1288 CB ILE A 87 3.176 6.290 11.473 1.00 50.10 C ATOM 1289 CG1 ILE A 87 4.212 7.431 11.733 1.00 20.40 C ATOM 1290 CG2 ILE A 87 3.786 5.199 10.620 1.00 34.31 C ATOM 1291 CD1 ILE A 87 4.904 8.027 10.502 1.00 4.13 C ATOM 0 H ILE A 87 1.221 4.771 10.658 1.00 33.54 H new ATOM 0 HA ILE A 87 1.375 7.415 11.735 1.00 65.35 H new ATOM 0 HB ILE A 87 2.938 5.862 12.447 1.00 50.10 H new ATOM 0 HG12 ILE A 87 3.704 8.238 12.262 1.00 20.40 H new ATOM 0 HG13 ILE A 87 4.981 7.046 12.403 1.00 20.40 H new ATOM 0 HG21 ILE A 87 4.745 4.899 11.044 1.00 34.31 H new ATOM 0 HG22 ILE A 87 3.116 4.340 10.594 1.00 34.31 H new ATOM 0 HG23 ILE A 87 3.938 5.571 9.607 1.00 34.31 H new ATOM 0 HD11 ILE A 87 5.597 8.807 10.816 1.00 4.13 H new ATOM 0 HD12 ILE A 87 5.452 7.244 9.978 1.00 4.13 H new ATOM 0 HD13 ILE A 87 4.155 8.454 9.835 1.00 4.13 H new ATOM 1303 N LEU A 88 1.889 7.114 8.495 1.00 65.41 N ATOM 1304 CA LEU A 88 1.898 7.916 7.271 1.00 4.01 C ATOM 1305 C LEU A 88 0.588 8.647 7.056 1.00 64.20 C ATOM 1306 O LEU A 88 0.581 9.779 6.565 1.00 64.11 O ATOM 1307 CB LEU A 88 2.221 7.119 6.023 1.00 72.13 C ATOM 1308 CG LEU A 88 3.667 6.710 5.759 1.00 60.44 C ATOM 1309 CD1 LEU A 88 4.631 7.886 5.892 1.00 73.45 C ATOM 1310 CD2 LEU A 88 4.078 5.539 6.599 1.00 25.05 C ATOM 0 H LEU A 88 1.920 6.105 8.350 1.00 65.41 H new ATOM 0 HA LEU A 88 2.700 8.637 7.428 1.00 4.01 H new ATOM 0 HB2 LEU A 88 1.622 6.209 6.050 1.00 72.13 H new ATOM 0 HB3 LEU A 88 1.882 7.699 5.165 1.00 72.13 H new ATOM 0 HG LEU A 88 3.720 6.385 4.720 1.00 60.44 H new ATOM 0 HD11 LEU A 88 5.648 7.547 5.695 1.00 73.45 H new ATOM 0 HD12 LEU A 88 4.361 8.660 5.174 1.00 73.45 H new ATOM 0 HD13 LEU A 88 4.573 8.292 6.902 1.00 73.45 H new ATOM 0 HD21 LEU A 88 5.114 5.280 6.380 1.00 25.05 H new ATOM 0 HD22 LEU A 88 3.983 5.797 7.654 1.00 25.05 H new ATOM 0 HD23 LEU A 88 3.436 4.687 6.375 1.00 25.05 H new ATOM 1322 N HIS A 89 -0.512 8.009 7.414 1.00 35.15 N ATOM 1323 CA HIS A 89 -1.829 8.603 7.249 1.00 73.04 C ATOM 1324 C HIS A 89 -1.942 9.823 8.149 1.00 2.45 C ATOM 1325 O HIS A 89 -2.507 10.842 7.762 1.00 45.41 O ATOM 1326 CB HIS A 89 -2.940 7.584 7.563 1.00 31.53 C ATOM 1327 CG HIS A 89 -4.314 8.021 7.137 1.00 41.53 C ATOM 1328 ND1 HIS A 89 -5.345 8.308 8.004 1.00 41.03 N ATOM 1329 CD2 HIS A 89 -4.820 8.182 5.890 1.00 25.53 C ATOM 1330 CE1 HIS A 89 -6.420 8.625 7.272 1.00 30.23 C ATOM 1331 NE2 HIS A 89 -6.153 8.565 5.977 1.00 24.41 N ATOM 0 H HIS A 89 -0.520 7.075 7.823 1.00 35.15 H new ATOM 0 HA HIS A 89 -1.954 8.909 6.210 1.00 73.04 H new ATOM 0 HB2 HIS A 89 -2.702 6.641 7.071 1.00 31.53 H new ATOM 0 HB3 HIS A 89 -2.948 7.391 8.636 1.00 31.53 H new ATOM 0 HD2 HIS A 89 -4.272 8.035 4.971 1.00 25.53 H new ATOM 0 HE1 HIS A 89 -7.381 8.895 7.685 1.00 30.23 H new ATOM 0 HE2 HIS A 89 -6.791 8.759 5.205 1.00 24.41 H new ATOM 1339 N ASP A 90 -1.349 9.727 9.331 1.00 54.50 N ATOM 1340 CA ASP A 90 -1.299 10.844 10.278 1.00 75.24 C ATOM 1341 C ASP A 90 -0.421 11.960 9.727 1.00 31.42 C ATOM 1342 O ASP A 90 -0.674 13.143 9.948 1.00 32.55 O ATOM 1343 CB ASP A 90 -0.749 10.367 11.628 1.00 4.45 C ATOM 1344 CG ASP A 90 -0.586 11.486 12.631 1.00 44.20 C ATOM 1345 OD1 ASP A 90 -1.603 11.988 13.156 1.00 22.32 O ATOM 1346 OD2 ASP A 90 0.572 11.880 12.926 1.00 22.12 O ATOM 0 H ASP A 90 -0.890 8.879 9.664 1.00 54.50 H new ATOM 0 HA ASP A 90 -2.310 11.226 10.421 1.00 75.24 H new ATOM 0 HB2 ASP A 90 -1.419 9.612 12.040 1.00 4.45 H new ATOM 0 HB3 ASP A 90 0.216 9.885 11.471 1.00 4.45 H new ATOM 1351 N GLY A 91 0.573 11.565 8.950 1.00 61.51 N ATOM 1352 CA GLY A 91 1.478 12.509 8.332 1.00 34.30 C ATOM 1353 C GLY A 91 0.887 13.143 7.083 1.00 41.24 C ATOM 1354 O GLY A 91 1.459 14.077 6.532 1.00 20.34 O ATOM 0 H GLY A 91 0.772 10.588 8.733 1.00 61.51 H new ATOM 0 HA2 GLY A 91 1.729 13.290 9.049 1.00 34.30 H new ATOM 0 HA3 GLY A 91 2.408 12.002 8.074 1.00 34.30 H new ATOM 1358 N GLY A 92 -0.242 12.624 6.635 1.00 41.32 N ATOM 1359 CA GLY A 92 -0.917 13.178 5.482 1.00 52.43 C ATOM 1360 C GLY A 92 -0.461 12.564 4.173 1.00 41.20 C ATOM 1361 O GLY A 92 -0.579 13.183 3.119 1.00 43.32 O ATOM 0 H GLY A 92 -0.708 11.820 7.054 1.00 41.32 H new ATOM 0 HA2 GLY A 92 -1.991 13.029 5.591 1.00 52.43 H new ATOM 0 HA3 GLY A 92 -0.746 14.254 5.451 1.00 52.43 H new ATOM 1365 N TYR A 93 0.057 11.366 4.230 1.00 72.42 N ATOM 1366 CA TYR A 93 0.511 10.679 3.036 1.00 63.41 C ATOM 1367 C TYR A 93 -0.535 9.682 2.568 1.00 50.35 C ATOM 1368 O TYR A 93 -1.075 8.924 3.370 1.00 23.33 O ATOM 1369 CB TYR A 93 1.850 9.971 3.289 1.00 71.41 C ATOM 1370 CG TYR A 93 3.041 10.896 3.445 1.00 21.11 C ATOM 1371 CD1 TYR A 93 3.283 11.579 4.633 1.00 30.22 C ATOM 1372 CD2 TYR A 93 3.931 11.078 2.397 1.00 50.11 C ATOM 1373 CE1 TYR A 93 4.374 12.419 4.763 1.00 53.23 C ATOM 1374 CE2 TYR A 93 5.021 11.908 2.520 1.00 51.24 C ATOM 1375 CZ TYR A 93 5.241 12.578 3.700 1.00 64.25 C ATOM 1376 OH TYR A 93 6.341 13.404 3.816 1.00 24.22 O ATOM 0 H TYR A 93 0.178 10.837 5.094 1.00 72.42 H new ATOM 0 HA TYR A 93 0.661 11.421 2.252 1.00 63.41 H new ATOM 0 HB2 TYR A 93 1.759 9.364 4.190 1.00 71.41 H new ATOM 0 HB3 TYR A 93 2.045 9.287 2.463 1.00 71.41 H new ATOM 0 HD1 TYR A 93 2.608 11.451 5.467 1.00 30.22 H new ATOM 0 HD2 TYR A 93 3.765 10.557 1.465 1.00 50.11 H new ATOM 0 HE1 TYR A 93 4.547 12.947 5.689 1.00 53.23 H new ATOM 0 HE2 TYR A 93 5.702 12.033 1.691 1.00 51.24 H new ATOM 0 HH TYR A 93 6.988 13.003 4.434 1.00 24.22 H new ATOM 1386 N ARG A 94 -0.826 9.687 1.275 1.00 2.10 N ATOM 1387 CA ARG A 94 -1.818 8.776 0.721 1.00 42.44 C ATOM 1388 C ARG A 94 -1.188 7.449 0.321 1.00 5.43 C ATOM 1389 O ARG A 94 0.032 7.321 0.291 1.00 51.30 O ATOM 1390 CB ARG A 94 -2.622 9.351 -0.457 1.00 71.32 C ATOM 1391 CG ARG A 94 -1.888 9.442 -1.793 1.00 20.43 C ATOM 1392 CD ARG A 94 -2.889 9.649 -2.924 1.00 45.14 C ATOM 1393 NE ARG A 94 -3.902 8.564 -2.948 1.00 21.13 N ATOM 1394 CZ ARG A 94 -5.232 8.747 -2.883 1.00 74.21 C ATOM 1395 NH1 ARG A 94 -5.753 9.972 -2.973 1.00 11.14 N ATOM 1396 NH2 ARG A 94 -6.030 7.695 -2.753 1.00 51.00 N ATOM 0 H ARG A 94 -0.392 10.308 0.593 1.00 2.10 H new ATOM 0 HA ARG A 94 -2.531 8.617 1.530 1.00 42.44 H new ATOM 0 HB2 ARG A 94 -3.512 8.738 -0.596 1.00 71.32 H new ATOM 0 HB3 ARG A 94 -2.963 10.350 -0.184 1.00 71.32 H new ATOM 0 HG2 ARG A 94 -1.176 10.267 -1.771 1.00 20.43 H new ATOM 0 HG3 ARG A 94 -1.315 8.531 -1.965 1.00 20.43 H new ATOM 0 HD2 ARG A 94 -3.386 10.612 -2.802 1.00 45.14 H new ATOM 0 HD3 ARG A 94 -2.363 9.680 -3.878 1.00 45.14 H new ATOM 0 HE ARG A 94 -3.562 7.605 -3.019 1.00 21.13 H new ATOM 0 HH11 ARG A 94 -5.141 10.779 -3.092 1.00 11.14 H new ATOM 0 HH12 ARG A 94 -6.764 10.101 -2.923 1.00 11.14 H new ATOM 0 HH21 ARG A 94 -5.633 6.757 -2.703 1.00 51.00 H new ATOM 0 HH22 ARG A 94 -7.041 7.825 -2.703 1.00 51.00 H new ATOM 1410 N ASP A 95 -2.034 6.512 -0.065 1.00 13.41 N ATOM 1411 CA ASP A 95 -1.663 5.118 -0.406 1.00 34.34 C ATOM 1412 C ASP A 95 -0.519 5.015 -1.436 1.00 34.13 C ATOM 1413 O ASP A 95 0.442 4.259 -1.236 1.00 71.43 O ATOM 1414 CB ASP A 95 -2.921 4.400 -0.979 1.00 64.42 C ATOM 1415 CG ASP A 95 -3.732 5.241 -2.009 1.00 50.22 C ATOM 1416 OD1 ASP A 95 -3.146 5.910 -2.892 1.00 62.10 O ATOM 1417 OD2 ASP A 95 -4.968 5.313 -1.877 1.00 20.45 O ATOM 0 H ASP A 95 -3.034 6.688 -0.158 1.00 13.41 H new ATOM 0 HA ASP A 95 -1.303 4.649 0.510 1.00 34.34 H new ATOM 0 HB2 ASP A 95 -2.608 3.470 -1.454 1.00 64.42 H new ATOM 0 HB3 ASP A 95 -3.578 4.130 -0.152 1.00 64.42 H new ATOM 1422 N THR A 96 -0.606 5.786 -2.469 1.00 4.11 N ATOM 1423 CA THR A 96 0.380 5.831 -3.513 1.00 74.50 C ATOM 1424 C THR A 96 1.735 6.308 -2.953 1.00 72.41 C ATOM 1425 O THR A 96 2.786 5.738 -3.247 1.00 43.52 O ATOM 1426 CB THR A 96 -0.099 6.766 -4.634 1.00 40.34 C ATOM 1427 OG1 THR A 96 -1.455 6.415 -5.003 1.00 30.33 O ATOM 1428 CG2 THR A 96 0.792 6.633 -5.850 1.00 22.21 C ATOM 0 H THR A 96 -1.387 6.424 -2.620 1.00 4.11 H new ATOM 0 HA THR A 96 0.515 4.829 -3.920 1.00 74.50 H new ATOM 0 HB THR A 96 -0.060 7.794 -4.274 1.00 40.34 H new ATOM 0 HG1 THR A 96 -2.020 6.408 -4.203 1.00 30.33 H new ATOM 0 HG21 THR A 96 0.439 7.302 -6.635 1.00 22.21 H new ATOM 0 HG22 THR A 96 1.815 6.896 -5.582 1.00 22.21 H new ATOM 0 HG23 THR A 96 0.765 5.605 -6.210 1.00 22.21 H new ATOM 1436 N GLU A 97 1.672 7.308 -2.089 1.00 10.51 N ATOM 1437 CA GLU A 97 2.855 7.916 -1.508 1.00 22.33 C ATOM 1438 C GLU A 97 3.586 6.922 -0.622 1.00 71.33 C ATOM 1439 O GLU A 97 4.810 6.868 -0.634 1.00 23.02 O ATOM 1440 CB GLU A 97 2.470 9.146 -0.688 1.00 53.15 C ATOM 1441 CG GLU A 97 1.691 10.187 -1.468 1.00 5.32 C ATOM 1442 CD GLU A 97 2.468 10.732 -2.628 1.00 22.44 C ATOM 1443 OE1 GLU A 97 2.401 10.170 -3.721 1.00 52.43 O ATOM 1444 OE2 GLU A 97 3.161 11.739 -2.462 1.00 74.21 O ATOM 0 H GLU A 97 0.796 7.721 -1.771 1.00 10.51 H new ATOM 0 HA GLU A 97 3.516 8.218 -2.320 1.00 22.33 H new ATOM 0 HB2 GLU A 97 1.875 8.828 0.168 1.00 53.15 H new ATOM 0 HB3 GLU A 97 3.376 9.605 -0.293 1.00 53.15 H new ATOM 0 HG2 GLU A 97 0.763 9.745 -1.831 1.00 5.32 H new ATOM 0 HG3 GLU A 97 1.416 11.005 -0.802 1.00 5.32 H new ATOM 1451 N ILE A 98 2.819 6.106 0.113 1.00 61.31 N ATOM 1452 CA ILE A 98 3.402 5.115 1.028 1.00 73.55 C ATOM 1453 C ILE A 98 4.234 4.158 0.202 1.00 72.50 C ATOM 1454 O ILE A 98 5.396 3.881 0.495 1.00 50.24 O ATOM 1455 CB ILE A 98 2.333 4.220 1.748 1.00 21.52 C ATOM 1456 CG1 ILE A 98 1.075 4.980 2.169 1.00 25.10 C ATOM 1457 CG2 ILE A 98 2.947 3.550 2.963 1.00 63.04 C ATOM 1458 CD1 ILE A 98 1.312 6.187 3.020 1.00 31.24 C ATOM 0 H ILE A 98 1.799 6.112 0.093 1.00 61.31 H new ATOM 0 HA ILE A 98 3.961 5.674 1.779 1.00 73.55 H new ATOM 0 HB ILE A 98 2.020 3.477 1.015 1.00 21.52 H new ATOM 0 HG12 ILE A 98 0.539 5.288 1.271 1.00 25.10 H new ATOM 0 HG13 ILE A 98 0.422 4.296 2.711 1.00 25.10 H new ATOM 0 HG21 ILE A 98 2.197 2.931 3.455 1.00 63.04 H new ATOM 0 HG22 ILE A 98 3.784 2.926 2.650 1.00 63.04 H new ATOM 0 HG23 ILE A 98 3.302 4.311 3.658 1.00 63.04 H new ATOM 0 HD11 ILE A 98 0.357 6.654 3.264 1.00 31.24 H new ATOM 0 HD12 ILE A 98 1.816 5.890 3.940 1.00 31.24 H new ATOM 0 HD13 ILE A 98 1.935 6.898 2.478 1.00 31.24 H new ATOM 1470 N MET A 99 3.633 3.711 -0.875 1.00 24.55 N ATOM 1471 CA MET A 99 4.236 2.736 -1.731 1.00 42.41 C ATOM 1472 C MET A 99 5.348 3.285 -2.581 1.00 1.34 C ATOM 1473 O MET A 99 6.136 2.515 -3.124 1.00 44.02 O ATOM 1474 CB MET A 99 3.201 2.011 -2.549 1.00 21.34 C ATOM 1475 CG MET A 99 2.319 1.149 -1.693 1.00 43.35 C ATOM 1476 SD MET A 99 1.155 0.152 -2.633 1.00 22.02 S ATOM 1477 CE MET A 99 0.158 1.431 -3.344 1.00 61.13 C ATOM 0 H MET A 99 2.709 4.019 -1.177 1.00 24.55 H new ATOM 0 HA MET A 99 4.712 2.008 -1.074 1.00 42.41 H new ATOM 0 HB2 MET A 99 2.590 2.736 -3.087 1.00 21.34 H new ATOM 0 HB3 MET A 99 3.697 1.393 -3.298 1.00 21.34 H new ATOM 0 HG2 MET A 99 2.944 0.491 -1.090 1.00 43.35 H new ATOM 0 HG3 MET A 99 1.765 1.784 -1.002 1.00 43.35 H new ATOM 0 HE1 MET A 99 -0.895 1.210 -3.170 1.00 61.13 H new ATOM 0 HE2 MET A 99 0.409 2.386 -2.883 1.00 61.13 H new ATOM 0 HE3 MET A 99 0.346 1.485 -4.416 1.00 61.13 H new ATOM 1487 N ARG A 100 5.429 4.605 -2.685 1.00 75.42 N ATOM 1488 CA ARG A 100 6.497 5.238 -3.439 1.00 30.53 C ATOM 1489 C ARG A 100 7.855 4.796 -2.889 1.00 55.23 C ATOM 1490 O ARG A 100 8.613 4.096 -3.568 1.00 25.15 O ATOM 1491 CB ARG A 100 6.398 6.770 -3.402 1.00 61.05 C ATOM 1492 CG ARG A 100 7.536 7.442 -4.150 1.00 63.33 C ATOM 1493 CD ARG A 100 7.527 8.943 -4.007 1.00 63.11 C ATOM 1494 NE ARG A 100 8.679 9.529 -4.711 1.00 63.45 N ATOM 1495 CZ ARG A 100 9.175 10.763 -4.526 1.00 53.01 C ATOM 1496 NH1 ARG A 100 8.563 11.633 -3.728 1.00 11.03 N ATOM 1497 NH2 ARG A 100 10.280 11.121 -5.161 1.00 21.05 N ATOM 0 H ARG A 100 4.769 5.254 -2.257 1.00 75.42 H new ATOM 0 HA ARG A 100 6.396 4.924 -4.478 1.00 30.53 H new ATOM 0 HB2 ARG A 100 5.448 7.081 -3.837 1.00 61.05 H new ATOM 0 HB3 ARG A 100 6.400 7.107 -2.365 1.00 61.05 H new ATOM 0 HG2 ARG A 100 8.485 7.053 -3.782 1.00 63.33 H new ATOM 0 HG3 ARG A 100 7.473 7.182 -5.207 1.00 63.33 H new ATOM 0 HD2 ARG A 100 6.600 9.348 -4.412 1.00 63.11 H new ATOM 0 HD3 ARG A 100 7.560 9.215 -2.952 1.00 63.11 H new ATOM 0 HE ARG A 100 9.144 8.943 -5.404 1.00 63.45 H new ATOM 0 HH11 ARG A 100 7.704 11.367 -3.246 1.00 11.03 H new ATOM 0 HH12 ARG A 100 8.952 12.567 -3.598 1.00 11.03 H new ATOM 0 HH21 ARG A 100 10.747 10.462 -5.784 1.00 21.05 H new ATOM 0 HH22 ARG A 100 10.665 12.056 -5.027 1.00 21.05 H new ATOM 1511 N TRP A 101 8.140 5.183 -1.663 1.00 24.01 N ATOM 1512 CA TRP A 101 9.390 4.822 -1.011 1.00 65.23 C ATOM 1513 C TRP A 101 9.475 3.329 -0.683 1.00 62.34 C ATOM 1514 O TRP A 101 10.548 2.739 -0.737 1.00 44.44 O ATOM 1515 CB TRP A 101 9.687 5.721 0.209 1.00 45.22 C ATOM 1516 CG TRP A 101 8.522 5.943 1.135 1.00 74.33 C ATOM 1517 CD1 TRP A 101 7.665 7.006 1.118 1.00 41.22 C ATOM 1518 CD2 TRP A 101 8.086 5.102 2.212 1.00 32.34 C ATOM 1519 NE1 TRP A 101 6.733 6.874 2.109 1.00 55.01 N ATOM 1520 CE2 TRP A 101 6.970 5.716 2.790 1.00 75.43 C ATOM 1521 CE3 TRP A 101 8.527 3.891 2.739 1.00 71.25 C ATOM 1522 CZ2 TRP A 101 6.298 5.162 3.862 1.00 73.42 C ATOM 1523 CZ3 TRP A 101 7.854 3.347 3.799 1.00 63.31 C ATOM 1524 CH2 TRP A 101 6.750 3.978 4.352 1.00 65.33 C ATOM 0 H TRP A 101 7.518 5.753 -1.090 1.00 24.01 H new ATOM 0 HA TRP A 101 10.184 5.010 -1.734 1.00 65.23 H new ATOM 0 HB2 TRP A 101 10.504 5.277 0.778 1.00 45.22 H new ATOM 0 HB3 TRP A 101 10.037 6.689 -0.149 1.00 45.22 H new ATOM 0 HD1 TRP A 101 7.716 7.831 0.423 1.00 41.22 H new ATOM 0 HE1 TRP A 101 5.982 7.535 2.307 1.00 55.01 H new ATOM 0 HE3 TRP A 101 9.386 3.389 2.318 1.00 71.25 H new ATOM 0 HZ2 TRP A 101 5.441 5.654 4.297 1.00 73.42 H new ATOM 0 HZ3 TRP A 101 8.189 2.408 4.213 1.00 63.31 H new ATOM 0 HH2 TRP A 101 6.240 3.520 5.187 1.00 65.33 H new ATOM 1535 N LEU A 102 8.333 2.726 -0.377 1.00 44.12 N ATOM 1536 CA LEU A 102 8.255 1.301 -0.038 1.00 14.15 C ATOM 1537 C LEU A 102 8.731 0.380 -1.177 1.00 71.33 C ATOM 1538 O LEU A 102 9.416 -0.621 -0.927 1.00 72.42 O ATOM 1539 CB LEU A 102 6.822 0.936 0.333 1.00 62.41 C ATOM 1540 CG LEU A 102 6.361 1.079 1.778 1.00 74.20 C ATOM 1541 CD1 LEU A 102 4.897 0.753 1.881 1.00 2.24 C ATOM 1542 CD2 LEU A 102 7.140 0.168 2.689 1.00 10.13 C ATOM 0 H LEU A 102 7.433 3.206 -0.355 1.00 44.12 H new ATOM 0 HA LEU A 102 8.926 1.145 0.807 1.00 14.15 H new ATOM 0 HB2 LEU A 102 6.160 1.545 -0.283 1.00 62.41 H new ATOM 0 HB3 LEU A 102 6.663 -0.102 0.041 1.00 62.41 H new ATOM 0 HG LEU A 102 6.534 2.110 2.087 1.00 74.20 H new ATOM 0 HD11 LEU A 102 4.573 0.857 2.917 1.00 2.24 H new ATOM 0 HD12 LEU A 102 4.327 1.437 1.252 1.00 2.24 H new ATOM 0 HD13 LEU A 102 4.728 -0.271 1.549 1.00 2.24 H new ATOM 0 HD21 LEU A 102 6.789 0.292 3.714 1.00 10.13 H new ATOM 0 HD22 LEU A 102 6.996 -0.867 2.379 1.00 10.13 H new ATOM 0 HD23 LEU A 102 8.199 0.419 2.635 1.00 10.13 H new ATOM 1554 N PHE A 103 8.370 0.706 -2.408 1.00 41.32 N ATOM 1555 CA PHE A 103 8.749 -0.127 -3.556 1.00 60.34 C ATOM 1556 C PHE A 103 10.097 0.248 -4.124 1.00 52.40 C ATOM 1557 O PHE A 103 10.635 -0.443 -4.995 1.00 12.00 O ATOM 1558 CB PHE A 103 7.673 -0.117 -4.643 1.00 23.12 C ATOM 1559 CG PHE A 103 6.490 -0.987 -4.326 1.00 14.04 C ATOM 1560 CD1 PHE A 103 5.559 -0.618 -3.377 1.00 1.45 C ATOM 1561 CD2 PHE A 103 6.316 -2.182 -4.991 1.00 1.34 C ATOM 1562 CE1 PHE A 103 4.482 -1.426 -3.097 1.00 43.43 C ATOM 1563 CE2 PHE A 103 5.244 -2.994 -4.717 1.00 62.51 C ATOM 1564 CZ PHE A 103 4.322 -2.615 -3.767 1.00 25.01 C ATOM 0 H PHE A 103 7.820 1.532 -2.645 1.00 41.32 H new ATOM 0 HA PHE A 103 8.834 -1.146 -3.178 1.00 60.34 H new ATOM 0 HB2 PHE A 103 7.331 0.907 -4.794 1.00 23.12 H new ATOM 0 HB3 PHE A 103 8.115 -0.447 -5.583 1.00 23.12 H new ATOM 0 HD1 PHE A 103 5.677 0.316 -2.848 1.00 1.45 H new ATOM 0 HD2 PHE A 103 7.034 -2.484 -5.739 1.00 1.34 H new ATOM 0 HE1 PHE A 103 3.762 -1.126 -2.350 1.00 43.43 H new ATOM 0 HE2 PHE A 103 5.124 -3.928 -5.245 1.00 62.51 H new ATOM 0 HZ PHE A 103 3.476 -3.250 -3.549 1.00 25.01 H new ATOM 1574 N THR A 104 10.622 1.335 -3.661 1.00 41.53 N ATOM 1575 CA THR A 104 11.922 1.762 -4.060 1.00 4.15 C ATOM 1576 C THR A 104 12.956 1.123 -3.133 1.00 72.52 C ATOM 1577 O THR A 104 12.835 1.252 -1.909 1.00 75.21 O ATOM 1578 CB THR A 104 12.025 3.297 -3.982 1.00 25.44 C ATOM 1579 OG1 THR A 104 10.964 3.873 -4.759 1.00 54.15 O ATOM 1580 CG2 THR A 104 13.360 3.784 -4.530 1.00 42.40 C ATOM 0 H THR A 104 10.160 1.953 -2.994 1.00 41.53 H new ATOM 0 HA THR A 104 12.107 1.456 -5.089 1.00 4.15 H new ATOM 0 HB THR A 104 11.947 3.599 -2.938 1.00 25.44 H new ATOM 0 HG1 THR A 104 10.109 3.732 -4.301 1.00 54.15 H new ATOM 0 HG21 THR A 104 13.406 4.871 -4.463 1.00 42.40 H new ATOM 0 HG22 THR A 104 14.173 3.350 -3.948 1.00 42.40 H new ATOM 0 HG23 THR A 104 13.458 3.480 -5.572 1.00 42.40 H new ATOM 1588 N PRO A 105 13.937 0.365 -3.677 1.00 52.04 N ATOM 1589 CA PRO A 105 15.023 -0.169 -2.872 1.00 3.15 C ATOM 1590 C PRO A 105 15.715 0.977 -2.153 1.00 43.04 C ATOM 1591 O PRO A 105 16.054 2.007 -2.773 1.00 13.25 O ATOM 1592 CB PRO A 105 15.963 -0.811 -3.901 1.00 73.34 C ATOM 1593 CG PRO A 105 15.088 -1.115 -5.065 1.00 44.45 C ATOM 1594 CD PRO A 105 14.048 -0.031 -5.094 1.00 33.42 C ATOM 0 HA PRO A 105 14.699 -0.880 -2.112 1.00 3.15 H new ATOM 0 HB2 PRO A 105 16.771 -0.134 -4.178 1.00 73.34 H new ATOM 0 HB3 PRO A 105 16.426 -1.715 -3.506 1.00 73.34 H new ATOM 0 HG2 PRO A 105 15.662 -1.130 -5.991 1.00 44.45 H new ATOM 0 HG3 PRO A 105 14.626 -2.097 -4.960 1.00 44.45 H new ATOM 0 HD2 PRO A 105 14.354 0.805 -5.723 1.00 33.42 H new ATOM 0 HD3 PRO A 105 13.098 -0.394 -5.487 1.00 33.42 H new ATOM 1602 N ASP A 106 15.884 0.834 -0.878 1.00 54.33 N ATOM 1603 CA ASP A 106 16.432 1.893 -0.078 1.00 53.44 C ATOM 1604 C ASP A 106 17.934 1.755 -0.025 1.00 40.33 C ATOM 1605 O ASP A 106 18.447 0.717 0.410 1.00 12.43 O ATOM 1606 CB ASP A 106 15.863 1.840 1.328 1.00 24.22 C ATOM 1607 CG ASP A 106 16.184 3.071 2.147 1.00 41.23 C ATOM 1608 OD1 ASP A 106 17.374 3.384 2.395 1.00 20.13 O ATOM 1609 OD2 ASP A 106 15.244 3.758 2.541 1.00 53.14 O ATOM 0 H ASP A 106 15.649 -0.013 -0.360 1.00 54.33 H new ATOM 0 HA ASP A 106 16.167 2.851 -0.526 1.00 53.44 H new ATOM 0 HB2 ASP A 106 14.781 1.721 1.271 1.00 24.22 H new ATOM 0 HB3 ASP A 106 16.254 0.960 1.838 1.00 24.22 H new ATOM 1614 N PRO A 107 18.666 2.786 -0.480 1.00 22.30 N ATOM 1615 CA PRO A 107 20.133 2.779 -0.514 1.00 12.45 C ATOM 1616 C PRO A 107 20.784 2.641 0.873 1.00 71.34 C ATOM 1617 O PRO A 107 21.974 2.349 0.979 1.00 55.43 O ATOM 1618 CB PRO A 107 20.493 4.129 -1.148 1.00 12.14 C ATOM 1619 CG PRO A 107 19.302 4.988 -0.925 1.00 31.21 C ATOM 1620 CD PRO A 107 18.121 4.068 -0.982 1.00 62.44 C ATOM 0 HA PRO A 107 20.504 1.917 -1.069 1.00 12.45 H new ATOM 0 HB2 PRO A 107 21.381 4.558 -0.685 1.00 12.14 H new ATOM 0 HB3 PRO A 107 20.708 4.021 -2.211 1.00 12.14 H new ATOM 0 HG2 PRO A 107 19.359 5.493 0.039 1.00 31.21 H new ATOM 0 HG3 PRO A 107 19.231 5.764 -1.687 1.00 31.21 H new ATOM 0 HD2 PRO A 107 17.300 4.427 -0.361 1.00 62.44 H new ATOM 0 HD3 PRO A 107 17.734 3.971 -1.997 1.00 62.44 H new ATOM 1628 N SER A 108 20.032 2.881 1.921 1.00 42.52 N ATOM 1629 CA SER A 108 20.568 2.801 3.250 1.00 10.23 C ATOM 1630 C SER A 108 19.987 1.613 4.004 1.00 10.33 C ATOM 1631 O SER A 108 20.233 1.439 5.205 1.00 15.40 O ATOM 1632 CB SER A 108 20.260 4.084 4.004 1.00 11.33 C ATOM 1633 OG SER A 108 20.741 5.235 3.310 1.00 51.32 O ATOM 0 H SER A 108 19.045 3.134 1.874 1.00 42.52 H new ATOM 0 HA SER A 108 21.647 2.666 3.176 1.00 10.23 H new ATOM 0 HB2 SER A 108 19.183 4.171 4.149 1.00 11.33 H new ATOM 0 HB3 SER A 108 20.713 4.041 4.995 1.00 11.33 H new ATOM 0 HG SER A 108 20.524 6.041 3.823 1.00 51.32 H new ATOM 1639 N LEU A 109 19.232 0.792 3.331 1.00 1.41 N ATOM 1640 CA LEU A 109 18.611 -0.307 3.998 1.00 42.42 C ATOM 1641 C LEU A 109 19.334 -1.597 3.712 1.00 70.43 C ATOM 1642 O LEU A 109 19.556 -1.961 2.556 1.00 44.44 O ATOM 1643 CB LEU A 109 17.143 -0.436 3.615 1.00 45.42 C ATOM 1644 CG LEU A 109 16.337 -1.479 4.386 1.00 72.45 C ATOM 1645 CD1 LEU A 109 16.233 -1.105 5.859 1.00 74.34 C ATOM 1646 CD2 LEU A 109 14.964 -1.647 3.776 1.00 45.31 C ATOM 0 H LEU A 109 19.035 0.864 2.333 1.00 1.41 H new ATOM 0 HA LEU A 109 18.669 -0.105 5.068 1.00 42.42 H new ATOM 0 HB2 LEU A 109 16.666 0.535 3.751 1.00 45.42 H new ATOM 0 HB3 LEU A 109 17.085 -0.674 2.553 1.00 45.42 H new ATOM 0 HG LEU A 109 16.860 -2.433 4.318 1.00 72.45 H new ATOM 0 HD11 LEU A 109 15.654 -1.863 6.387 1.00 74.34 H new ATOM 0 HD12 LEU A 109 17.232 -1.045 6.291 1.00 74.34 H new ATOM 0 HD13 LEU A 109 15.738 -0.139 5.955 1.00 74.34 H new ATOM 0 HD21 LEU A 109 14.405 -2.394 4.339 1.00 45.31 H new ATOM 0 HD22 LEU A 109 14.433 -0.696 3.808 1.00 45.31 H new ATOM 0 HD23 LEU A 109 15.063 -1.972 2.740 1.00 45.31 H new ATOM 1658 N THR A 110 19.701 -2.261 4.753 1.00 63.44 N ATOM 1659 CA THR A 110 20.300 -3.548 4.679 1.00 43.11 C ATOM 1660 C THR A 110 19.468 -4.437 5.574 1.00 11.40 C ATOM 1661 O THR A 110 19.315 -4.149 6.764 1.00 64.45 O ATOM 1662 CB THR A 110 21.766 -3.517 5.162 1.00 55.43 C ATOM 1663 OG1 THR A 110 22.484 -2.496 4.436 1.00 75.54 O ATOM 1664 CG2 THR A 110 22.436 -4.864 4.919 1.00 73.03 C ATOM 0 H THR A 110 19.590 -1.914 5.706 1.00 63.44 H new ATOM 0 HA THR A 110 20.324 -3.910 3.651 1.00 43.11 H new ATOM 0 HB THR A 110 21.780 -3.301 6.230 1.00 55.43 H new ATOM 0 HG1 THR A 110 23.415 -2.472 4.741 1.00 75.54 H new ATOM 0 HG21 THR A 110 23.469 -4.824 5.265 1.00 73.03 H new ATOM 0 HG22 THR A 110 21.900 -5.641 5.464 1.00 73.03 H new ATOM 0 HG23 THR A 110 22.419 -5.092 3.853 1.00 73.03 H new ATOM 1672 N ILE A 111 18.870 -5.443 4.997 1.00 23.12 N ATOM 1673 CA ILE A 111 17.957 -6.307 5.724 1.00 60.42 C ATOM 1674 C ILE A 111 18.192 -7.735 5.414 1.00 61.53 C ATOM 1675 O ILE A 111 18.800 -8.066 4.407 1.00 4.13 O ATOM 1676 CB ILE A 111 16.490 -6.014 5.390 1.00 21.41 C ATOM 1677 CG1 ILE A 111 16.287 -5.953 3.858 1.00 72.10 C ATOM 1678 CG2 ILE A 111 16.015 -4.779 6.114 1.00 14.12 C ATOM 1679 CD1 ILE A 111 14.861 -5.779 3.413 1.00 44.53 C ATOM 0 H ILE A 111 18.995 -5.693 4.016 1.00 23.12 H new ATOM 0 HA ILE A 111 18.149 -6.104 6.778 1.00 60.42 H new ATOM 0 HB ILE A 111 15.864 -6.831 5.749 1.00 21.41 H new ATOM 0 HG12 ILE A 111 16.879 -5.129 3.461 1.00 72.10 H new ATOM 0 HG13 ILE A 111 16.680 -6.869 3.418 1.00 72.10 H new ATOM 0 HG21 ILE A 111 14.971 -4.589 5.863 1.00 14.12 H new ATOM 0 HG22 ILE A 111 16.108 -4.929 7.190 1.00 14.12 H new ATOM 0 HG23 ILE A 111 16.622 -3.925 5.813 1.00 14.12 H new ATOM 0 HD11 ILE A 111 14.821 -5.748 2.324 1.00 44.53 H new ATOM 0 HD12 ILE A 111 14.263 -6.615 3.774 1.00 44.53 H new ATOM 0 HD13 ILE A 111 14.465 -4.848 3.818 1.00 44.53 H new ATOM 1691 N THR A 112 17.671 -8.569 6.250 1.00 51.42 N ATOM 1692 CA THR A 112 17.758 -9.962 6.069 1.00 2.41 C ATOM 1693 C THR A 112 16.521 -10.331 5.285 1.00 41.54 C ATOM 1694 O THR A 112 15.412 -10.018 5.710 1.00 71.44 O ATOM 1695 CB THR A 112 17.774 -10.640 7.465 1.00 11.10 C ATOM 1696 OG1 THR A 112 16.526 -10.394 8.151 1.00 45.40 O ATOM 1697 CG2 THR A 112 18.880 -10.018 8.298 1.00 74.53 C ATOM 0 H THR A 112 17.166 -8.287 7.090 1.00 51.42 H new ATOM 0 HA THR A 112 18.658 -10.281 5.543 1.00 2.41 H new ATOM 0 HB THR A 112 17.927 -11.711 7.334 1.00 11.10 H new ATOM 0 HG1 THR A 112 16.139 -9.551 7.834 1.00 45.40 H new ATOM 0 HG21 THR A 112 18.902 -10.486 9.282 1.00 74.53 H new ATOM 0 HG22 THR A 112 19.839 -10.171 7.802 1.00 74.53 H new ATOM 0 HG23 THR A 112 18.695 -8.950 8.409 1.00 74.53 H new ATOM 1705 N ARG A 113 16.667 -10.976 4.176 1.00 13.13 N ATOM 1706 CA ARG A 113 15.507 -11.151 3.346 1.00 71.54 C ATOM 1707 C ARG A 113 15.403 -12.523 2.762 1.00 14.13 C ATOM 1708 O ARG A 113 16.317 -13.351 2.916 1.00 45.43 O ATOM 1709 CB ARG A 113 15.465 -10.092 2.248 1.00 73.21 C ATOM 1710 CG ARG A 113 16.583 -10.188 1.241 1.00 11.44 C ATOM 1711 CD ARG A 113 16.463 -9.109 0.184 1.00 65.00 C ATOM 1712 NE ARG A 113 15.191 -9.167 -0.529 1.00 52.43 N ATOM 1713 CZ ARG A 113 15.046 -9.207 -1.857 1.00 13.54 C ATOM 1714 NH1 ARG A 113 16.107 -9.283 -2.661 1.00 42.03 N ATOM 1715 NH2 ARG A 113 13.837 -9.187 -2.380 1.00 11.43 N ATOM 0 H ARG A 113 17.537 -11.379 3.827 1.00 13.13 H new ATOM 0 HA ARG A 113 14.641 -11.026 3.996 1.00 71.54 H new ATOM 0 HB2 ARG A 113 14.513 -10.169 1.723 1.00 73.21 H new ATOM 0 HB3 ARG A 113 15.494 -9.106 2.711 1.00 73.21 H new ATOM 0 HG2 ARG A 113 17.543 -10.097 1.750 1.00 11.44 H new ATOM 0 HG3 ARG A 113 16.565 -11.169 0.766 1.00 11.44 H new ATOM 0 HD2 ARG A 113 16.569 -8.131 0.654 1.00 65.00 H new ATOM 0 HD3 ARG A 113 17.281 -9.210 -0.529 1.00 65.00 H new ATOM 0 HE ARG A 113 14.340 -9.178 0.034 1.00 52.43 H new ATOM 0 HH11 ARG A 113 17.046 -9.311 -2.264 1.00 42.03 H new ATOM 0 HH12 ARG A 113 15.979 -9.313 -3.673 1.00 42.03 H new ATOM 0 HH21 ARG A 113 13.019 -9.141 -1.772 1.00 11.43 H new ATOM 0 HH22 ARG A 113 13.719 -9.217 -3.393 1.00 11.43 H new ATOM 1729 N ASP A 114 14.254 -12.745 2.122 1.00 51.14 N ATOM 1730 CA ASP A 114 13.851 -13.989 1.454 1.00 72.02 C ATOM 1731 C ASP A 114 14.117 -15.188 2.346 1.00 12.32 C ATOM 1732 O ASP A 114 15.084 -15.934 2.176 1.00 24.11 O ATOM 1733 CB ASP A 114 14.489 -14.138 0.061 1.00 0.53 C ATOM 1734 CG ASP A 114 13.812 -15.201 -0.779 1.00 12.15 C ATOM 1735 OD1 ASP A 114 12.668 -14.970 -1.222 1.00 25.23 O ATOM 1736 OD2 ASP A 114 14.400 -16.274 -1.027 1.00 42.35 O ATOM 0 H ASP A 114 13.538 -12.023 2.050 1.00 51.14 H new ATOM 0 HA ASP A 114 12.776 -13.940 1.283 1.00 72.02 H new ATOM 0 HB2 ASP A 114 14.440 -13.182 -0.461 1.00 0.53 H new ATOM 0 HB3 ASP A 114 15.544 -14.387 0.173 1.00 0.53 H new ATOM 1741 N GLY A 115 13.319 -15.282 3.384 1.00 25.23 N ATOM 1742 CA GLY A 115 13.509 -16.309 4.382 1.00 41.34 C ATOM 1743 C GLY A 115 14.374 -15.792 5.520 1.00 10.13 C ATOM 1744 O GLY A 115 14.505 -16.446 6.559 1.00 1.12 O ATOM 0 H GLY A 115 12.531 -14.659 3.560 1.00 25.23 H new ATOM 0 HA2 GLY A 115 12.542 -16.631 4.769 1.00 41.34 H new ATOM 0 HA3 GLY A 115 13.978 -17.182 3.929 1.00 41.34 H new ATOM 1748 N SER A 116 14.969 -14.610 5.283 1.00 22.04 N ATOM 1749 CA SER A 116 15.840 -13.886 6.222 1.00 44.14 C ATOM 1750 C SER A 116 17.158 -14.634 6.458 1.00 24.12 C ATOM 1751 O SER A 116 17.844 -14.422 7.459 1.00 22.22 O ATOM 1752 CB SER A 116 15.107 -13.615 7.532 1.00 2.21 C ATOM 1753 OG SER A 116 13.874 -12.943 7.280 1.00 14.33 O ATOM 0 H SER A 116 14.851 -14.115 4.399 1.00 22.04 H new ATOM 0 HA SER A 116 16.095 -12.926 5.774 1.00 44.14 H new ATOM 0 HB2 SER A 116 14.917 -14.554 8.051 1.00 2.21 H new ATOM 0 HB3 SER A 116 15.732 -13.009 8.188 1.00 2.21 H new ATOM 0 HG SER A 116 13.413 -12.777 8.129 1.00 14.33 H new ATOM 1759 N ARG A 117 17.536 -15.433 5.468 1.00 31.10 N ATOM 1760 CA ARG A 117 18.723 -16.287 5.528 1.00 64.14 C ATOM 1761 C ARG A 117 20.025 -15.486 5.602 1.00 14.21 C ATOM 1762 O ARG A 117 21.024 -15.966 6.149 1.00 63.30 O ATOM 1763 CB ARG A 117 18.759 -17.210 4.318 1.00 51.13 C ATOM 1764 CG ARG A 117 18.851 -16.479 2.989 1.00 23.24 C ATOM 1765 CD ARG A 117 18.843 -17.440 1.833 1.00 54.03 C ATOM 1766 NE ARG A 117 18.992 -16.748 0.549 1.00 11.14 N ATOM 1767 CZ ARG A 117 17.999 -16.552 -0.328 1.00 22.15 C ATOM 1768 NH1 ARG A 117 16.751 -16.817 0.018 1.00 52.21 N ATOM 1769 NH2 ARG A 117 18.254 -16.036 -1.524 1.00 5.13 N ATOM 0 H ARG A 117 17.023 -15.509 4.589 1.00 31.10 H new ATOM 0 HA ARG A 117 18.649 -16.870 6.446 1.00 64.14 H new ATOM 0 HB2 ARG A 117 19.612 -17.882 4.411 1.00 51.13 H new ATOM 0 HB3 ARG A 117 17.862 -17.830 4.319 1.00 51.13 H new ATOM 0 HG2 ARG A 117 18.015 -15.786 2.894 1.00 23.24 H new ATOM 0 HG3 ARG A 117 19.763 -15.883 2.962 1.00 23.24 H new ATOM 0 HD2 ARG A 117 19.652 -18.161 1.954 1.00 54.03 H new ATOM 0 HD3 ARG A 117 17.910 -18.004 1.836 1.00 54.03 H new ATOM 0 HE ARG A 117 19.916 -16.391 0.307 1.00 11.14 H new ATOM 0 HH11 ARG A 117 16.545 -17.170 0.952 1.00 52.21 H new ATOM 0 HH12 ARG A 117 15.994 -16.668 -0.649 1.00 52.21 H new ATOM 0 HH21 ARG A 117 19.210 -15.787 -1.779 1.00 5.13 H new ATOM 0 HH22 ARG A 117 17.494 -15.889 -2.188 1.00 5.13 H new ATOM 1783 N ASP A 118 20.010 -14.289 5.063 1.00 1.54 N ATOM 1784 CA ASP A 118 21.194 -13.430 5.031 1.00 13.11 C ATOM 1785 C ASP A 118 20.764 -12.007 4.743 1.00 1.54 C ATOM 1786 O ASP A 118 19.608 -11.778 4.334 1.00 64.14 O ATOM 1787 CB ASP A 118 22.233 -13.928 3.982 1.00 33.13 C ATOM 1788 CG ASP A 118 23.520 -13.103 3.940 1.00 63.44 C ATOM 1789 OD1 ASP A 118 23.987 -12.640 5.019 1.00 1.24 O ATOM 1790 OD2 ASP A 118 24.063 -12.873 2.839 1.00 14.44 O ATOM 0 H ASP A 118 19.183 -13.874 4.632 1.00 1.54 H new ATOM 0 HA ASP A 118 21.686 -13.468 6.003 1.00 13.11 H new ATOM 0 HB2 ASP A 118 22.486 -14.965 4.201 1.00 33.13 H new ATOM 0 HB3 ASP A 118 21.772 -13.914 2.994 1.00 33.13 H new ATOM 1795 N ALA A 119 21.656 -11.078 4.976 1.00 24.10 N ATOM 1796 CA ALA A 119 21.410 -9.682 4.784 1.00 73.12 C ATOM 1797 C ALA A 119 21.759 -9.265 3.369 1.00 44.14 C ATOM 1798 O ALA A 119 22.758 -9.708 2.798 1.00 5.14 O ATOM 1799 CB ALA A 119 22.198 -8.866 5.791 1.00 10.22 C ATOM 0 H ALA A 119 22.597 -11.283 5.313 1.00 24.10 H new ATOM 0 HA ALA A 119 20.348 -9.494 4.940 1.00 73.12 H new ATOM 0 HB1 ALA A 119 22.001 -7.805 5.634 1.00 10.22 H new ATOM 0 HB2 ALA A 119 21.897 -9.145 6.801 1.00 10.22 H new ATOM 0 HB3 ALA A 119 23.263 -9.060 5.663 1.00 10.22 H new ATOM 1805 N VAL A 120 20.918 -8.452 2.811 1.00 72.40 N ATOM 1806 CA VAL A 120 21.082 -7.909 1.493 1.00 12.03 C ATOM 1807 C VAL A 120 20.986 -6.400 1.599 1.00 4.21 C ATOM 1808 O VAL A 120 20.097 -5.874 2.295 1.00 3.14 O ATOM 1809 CB VAL A 120 19.980 -8.437 0.516 1.00 34.02 C ATOM 1810 CG1 VAL A 120 20.120 -7.821 -0.869 1.00 24.45 C ATOM 1811 CG2 VAL A 120 20.025 -9.954 0.412 1.00 41.11 C ATOM 0 H VAL A 120 20.067 -8.135 3.275 1.00 72.40 H new ATOM 0 HA VAL A 120 22.049 -8.216 1.094 1.00 12.03 H new ATOM 0 HB VAL A 120 19.016 -8.139 0.929 1.00 34.02 H new ATOM 0 HG11 VAL A 120 19.338 -8.210 -1.521 1.00 24.45 H new ATOM 0 HG12 VAL A 120 20.026 -6.738 -0.797 1.00 24.45 H new ATOM 0 HG13 VAL A 120 21.096 -8.073 -1.282 1.00 24.45 H new ATOM 0 HG21 VAL A 120 19.249 -10.295 -0.273 1.00 41.11 H new ATOM 0 HG22 VAL A 120 21.001 -10.264 0.038 1.00 41.11 H new ATOM 0 HG23 VAL A 120 19.858 -10.391 1.396 1.00 41.11 H new ATOM 1821 N SER A 121 21.902 -5.723 0.977 1.00 23.54 N ATOM 1822 CA SER A 121 21.933 -4.293 0.963 1.00 35.14 C ATOM 1823 C SER A 121 21.096 -3.758 -0.190 1.00 3.31 C ATOM 1824 O SER A 121 20.989 -4.402 -1.238 1.00 75.25 O ATOM 1825 CB SER A 121 23.389 -3.842 0.865 1.00 15.22 C ATOM 1826 OG SER A 121 24.073 -4.591 -0.147 1.00 21.43 O ATOM 0 H SER A 121 22.663 -6.157 0.455 1.00 23.54 H new ATOM 0 HA SER A 121 21.502 -3.894 1.881 1.00 35.14 H new ATOM 0 HB2 SER A 121 23.433 -2.778 0.632 1.00 15.22 H new ATOM 0 HB3 SER A 121 23.885 -3.978 1.826 1.00 15.22 H new ATOM 0 HG SER A 121 25.005 -4.292 -0.202 1.00 21.43 H new ATOM 1832 N ASN A 122 20.482 -2.610 0.039 1.00 35.15 N ATOM 1833 CA ASN A 122 19.644 -1.916 -0.925 1.00 43.41 C ATOM 1834 C ASN A 122 18.448 -2.748 -1.313 1.00 10.13 C ATOM 1835 O ASN A 122 18.352 -3.284 -2.424 1.00 44.21 O ATOM 1836 CB ASN A 122 20.410 -1.405 -2.162 1.00 42.24 C ATOM 1837 CG ASN A 122 21.447 -0.331 -1.850 1.00 33.22 C ATOM 1838 OD1 ASN A 122 22.039 -0.295 -0.765 1.00 72.22 O ATOM 1839 ND2 ASN A 122 21.667 0.562 -2.786 1.00 12.11 N ATOM 0 H ASN A 122 20.555 -2.119 0.930 1.00 35.15 H new ATOM 0 HA ASN A 122 19.285 -1.021 -0.417 1.00 43.41 H new ATOM 0 HB2 ASN A 122 20.908 -2.248 -2.642 1.00 42.24 H new ATOM 0 HB3 ASN A 122 19.694 -1.006 -2.881 1.00 42.24 H new ATOM 0 HD21 ASN A 122 22.341 1.311 -2.628 1.00 12.11 H new ATOM 0 HD22 ASN A 122 21.164 0.507 -3.672 1.00 12.11 H new ATOM 1846 N ALA A 123 17.576 -2.923 -0.372 1.00 62.33 N ATOM 1847 CA ALA A 123 16.380 -3.686 -0.594 1.00 32.34 C ATOM 1848 C ALA A 123 15.143 -2.834 -0.372 1.00 41.12 C ATOM 1849 O ALA A 123 15.236 -1.693 0.099 1.00 34.55 O ATOM 1850 CB ALA A 123 16.370 -4.922 0.280 1.00 63.04 C ATOM 0 H ALA A 123 17.668 -2.544 0.571 1.00 62.33 H new ATOM 0 HA ALA A 123 16.366 -4.013 -1.634 1.00 32.34 H new ATOM 0 HB1 ALA A 123 15.456 -5.488 0.099 1.00 63.04 H new ATOM 0 HB2 ALA A 123 17.234 -5.542 0.043 1.00 63.04 H new ATOM 0 HB3 ALA A 123 16.412 -4.627 1.328 1.00 63.04 H new ATOM 1856 N ARG A 124 14.003 -3.371 -0.733 1.00 52.40 N ATOM 1857 CA ARG A 124 12.739 -2.673 -0.600 1.00 14.22 C ATOM 1858 C ARG A 124 12.278 -2.721 0.839 1.00 44.14 C ATOM 1859 O ARG A 124 12.335 -3.776 1.463 1.00 14.32 O ATOM 1860 CB ARG A 124 11.665 -3.357 -1.441 1.00 61.41 C ATOM 1861 CG ARG A 124 11.975 -3.461 -2.908 1.00 22.41 C ATOM 1862 CD ARG A 124 10.963 -4.350 -3.611 1.00 3.31 C ATOM 1863 NE ARG A 124 10.935 -5.709 -3.021 1.00 52.24 N ATOM 1864 CZ ARG A 124 9.982 -6.634 -3.242 1.00 74.11 C ATOM 1865 NH1 ARG A 124 9.039 -6.411 -4.149 1.00 31.53 N ATOM 1866 NH2 ARG A 124 10.011 -7.793 -2.586 1.00 33.52 N ATOM 0 H ARG A 124 13.921 -4.307 -1.129 1.00 52.40 H new ATOM 0 HA ARG A 124 12.886 -1.645 -0.931 1.00 14.22 H new ATOM 0 HB2 ARG A 124 11.502 -4.360 -1.048 1.00 61.41 H new ATOM 0 HB3 ARG A 124 10.729 -2.811 -1.321 1.00 61.41 H new ATOM 0 HG2 ARG A 124 11.968 -2.468 -3.357 1.00 22.41 H new ATOM 0 HG3 ARG A 124 12.978 -3.865 -3.045 1.00 22.41 H new ATOM 0 HD2 ARG A 124 9.972 -3.901 -3.542 1.00 3.31 H new ATOM 0 HD3 ARG A 124 11.209 -4.417 -4.671 1.00 3.31 H new ATOM 0 HE ARG A 124 11.700 -5.964 -2.397 1.00 52.24 H new ATOM 0 HH11 ARG A 124 9.036 -5.539 -4.678 1.00 31.53 H new ATOM 0 HH12 ARG A 124 8.317 -7.112 -4.317 1.00 31.53 H new ATOM 0 HH21 ARG A 124 10.756 -7.981 -1.915 1.00 33.52 H new ATOM 0 HH22 ARG A 124 9.288 -8.493 -2.755 1.00 33.52 H new ATOM 1880 N PRO A 125 11.829 -1.601 1.399 1.00 11.23 N ATOM 1881 CA PRO A 125 11.208 -1.587 2.724 1.00 53.11 C ATOM 1882 C PRO A 125 9.992 -2.556 2.794 1.00 72.42 C ATOM 1883 O PRO A 125 9.687 -3.107 3.846 1.00 12.34 O ATOM 1884 CB PRO A 125 10.762 -0.139 2.878 1.00 64.22 C ATOM 1885 CG PRO A 125 11.710 0.632 2.037 1.00 35.44 C ATOM 1886 CD PRO A 125 11.973 -0.236 0.846 1.00 64.21 C ATOM 0 HA PRO A 125 11.883 -1.918 3.513 1.00 53.11 H new ATOM 0 HB2 PRO A 125 9.733 -0.003 2.544 1.00 64.22 H new ATOM 0 HB3 PRO A 125 10.804 0.181 3.919 1.00 64.22 H new ATOM 0 HG2 PRO A 125 11.283 1.590 1.740 1.00 35.44 H new ATOM 0 HG3 PRO A 125 12.631 0.848 2.578 1.00 35.44 H new ATOM 0 HD2 PRO A 125 11.261 -0.048 0.043 1.00 64.21 H new ATOM 0 HD3 PRO A 125 12.969 -0.069 0.435 1.00 64.21 H new ATOM 1894 N VAL A 126 9.320 -2.787 1.651 1.00 31.44 N ATOM 1895 CA VAL A 126 8.207 -3.756 1.607 1.00 50.05 C ATOM 1896 C VAL A 126 8.744 -5.166 1.852 1.00 34.14 C ATOM 1897 O VAL A 126 8.094 -6.007 2.487 1.00 73.22 O ATOM 1898 CB VAL A 126 7.449 -3.765 0.247 1.00 5.31 C ATOM 1899 CG1 VAL A 126 6.293 -4.734 0.292 1.00 53.00 C ATOM 1900 CG2 VAL A 126 6.927 -2.413 -0.100 1.00 44.21 C ATOM 0 H VAL A 126 9.521 -2.328 0.763 1.00 31.44 H new ATOM 0 HA VAL A 126 7.506 -3.448 2.382 1.00 50.05 H new ATOM 0 HB VAL A 126 8.165 -4.073 -0.515 1.00 5.31 H new ATOM 0 HG11 VAL A 126 5.775 -4.727 -0.667 1.00 53.00 H new ATOM 0 HG12 VAL A 126 6.667 -5.737 0.495 1.00 53.00 H new ATOM 0 HG13 VAL A 126 5.601 -4.438 1.081 1.00 53.00 H new ATOM 0 HG21 VAL A 126 6.404 -2.459 -1.055 1.00 44.21 H new ATOM 0 HG22 VAL A 126 6.237 -2.079 0.675 1.00 44.21 H new ATOM 0 HG23 VAL A 126 7.757 -1.710 -0.174 1.00 44.21 H new ATOM 1910 N ASP A 127 9.938 -5.411 1.374 1.00 44.13 N ATOM 1911 CA ASP A 127 10.552 -6.714 1.519 1.00 74.44 C ATOM 1912 C ASP A 127 10.912 -6.927 2.998 1.00 31.51 C ATOM 1913 O ASP A 127 10.809 -8.030 3.531 1.00 12.41 O ATOM 1914 CB ASP A 127 11.789 -6.786 0.631 1.00 54.11 C ATOM 1915 CG ASP A 127 12.201 -8.183 0.295 1.00 3.11 C ATOM 1916 OD1 ASP A 127 12.975 -8.786 1.022 1.00 1.21 O ATOM 1917 OD2 ASP A 127 11.773 -8.688 -0.770 1.00 10.25 O ATOM 0 H ASP A 127 10.509 -4.725 0.879 1.00 44.13 H new ATOM 0 HA ASP A 127 9.866 -7.503 1.210 1.00 74.44 H new ATOM 0 HB2 ASP A 127 11.596 -6.241 -0.293 1.00 54.11 H new ATOM 0 HB3 ASP A 127 12.616 -6.282 1.132 1.00 54.11 H new ATOM 1922 N ALA A 128 11.250 -5.819 3.660 1.00 64.20 N ATOM 1923 CA ALA A 128 11.611 -5.796 5.077 1.00 54.33 C ATOM 1924 C ALA A 128 10.420 -6.077 5.988 1.00 64.44 C ATOM 1925 O ALA A 128 10.569 -6.708 7.026 1.00 0.04 O ATOM 1926 CB ALA A 128 12.223 -4.454 5.451 1.00 42.13 C ATOM 0 H ALA A 128 11.281 -4.899 3.220 1.00 64.20 H new ATOM 0 HA ALA A 128 12.341 -6.592 5.224 1.00 54.33 H new ATOM 0 HB1 ALA A 128 12.485 -4.456 6.509 1.00 42.13 H new ATOM 0 HB2 ALA A 128 13.120 -4.284 4.855 1.00 42.13 H new ATOM 0 HB3 ALA A 128 11.503 -3.659 5.257 1.00 42.13 H new ATOM 1932 N LEU A 129 9.239 -5.613 5.614 1.00 41.15 N ATOM 1933 CA LEU A 129 8.071 -5.809 6.467 1.00 55.20 C ATOM 1934 C LEU A 129 7.660 -7.274 6.522 1.00 31.41 C ATOM 1935 O LEU A 129 7.290 -7.780 7.580 1.00 22.25 O ATOM 1936 CB LEU A 129 6.912 -4.847 6.106 1.00 30.05 C ATOM 1937 CG LEU A 129 6.284 -4.973 4.718 1.00 31.05 C ATOM 1938 CD1 LEU A 129 5.251 -6.087 4.673 1.00 74.52 C ATOM 1939 CD2 LEU A 129 5.691 -3.650 4.263 1.00 11.41 C ATOM 0 H LEU A 129 9.061 -5.108 4.746 1.00 41.15 H new ATOM 0 HA LEU A 129 8.355 -5.540 7.484 1.00 55.20 H new ATOM 0 HB2 LEU A 129 6.122 -4.984 6.844 1.00 30.05 H new ATOM 0 HB3 LEU A 129 7.278 -3.826 6.216 1.00 30.05 H new ATOM 0 HG LEU A 129 7.078 -5.238 4.020 1.00 31.05 H new ATOM 0 HD11 LEU A 129 4.825 -6.148 3.672 1.00 74.52 H new ATOM 0 HD12 LEU A 129 5.727 -7.035 4.923 1.00 74.52 H new ATOM 0 HD13 LEU A 129 4.459 -5.878 5.392 1.00 74.52 H new ATOM 0 HD21 LEU A 129 5.251 -3.770 3.273 1.00 11.41 H new ATOM 0 HD22 LEU A 129 4.920 -3.336 4.967 1.00 11.41 H new ATOM 0 HD23 LEU A 129 6.475 -2.894 4.223 1.00 11.41 H new ATOM 1951 N HIS A 130 7.795 -7.972 5.397 1.00 3.54 N ATOM 1952 CA HIS A 130 7.482 -9.396 5.349 1.00 40.43 C ATOM 1953 C HIS A 130 8.637 -10.181 5.982 1.00 44.45 C ATOM 1954 O HIS A 130 8.501 -11.335 6.353 1.00 32.25 O ATOM 1955 CB HIS A 130 7.192 -9.860 3.902 1.00 31.53 C ATOM 1956 CG HIS A 130 6.638 -11.268 3.799 1.00 31.10 C ATOM 1957 ND1 HIS A 130 7.049 -12.202 2.870 1.00 33.43 N ATOM 1958 CD2 HIS A 130 5.670 -11.879 4.534 1.00 4.32 C ATOM 1959 CE1 HIS A 130 6.340 -13.318 3.062 1.00 43.01 C ATOM 1960 NE2 HIS A 130 5.485 -13.178 4.064 1.00 73.21 N ATOM 0 H HIS A 130 8.117 -7.578 4.513 1.00 3.54 H new ATOM 0 HA HIS A 130 6.573 -9.587 5.919 1.00 40.43 H new ATOM 0 HB2 HIS A 130 6.483 -9.169 3.446 1.00 31.53 H new ATOM 0 HB3 HIS A 130 8.113 -9.801 3.322 1.00 31.53 H new ATOM 0 HD1 HIS A 130 7.769 -12.064 2.160 1.00 33.43 H new ATOM 0 HD2 HIS A 130 5.130 -11.428 5.353 1.00 4.32 H new ATOM 0 HE1 HIS A 130 6.450 -14.218 2.476 1.00 43.01 H new ATOM 1968 N ALA A 131 9.764 -9.504 6.131 1.00 34.21 N ATOM 1969 CA ALA A 131 10.946 -10.077 6.785 1.00 35.04 C ATOM 1970 C ALA A 131 10.880 -9.839 8.294 1.00 12.23 C ATOM 1971 O ALA A 131 11.825 -10.145 9.026 1.00 0.31 O ATOM 1972 CB ALA A 131 12.227 -9.462 6.224 1.00 22.42 C ATOM 0 H ALA A 131 9.893 -8.546 5.806 1.00 34.21 H new ATOM 0 HA ALA A 131 10.958 -11.149 6.588 1.00 35.04 H new ATOM 0 HB1 ALA A 131 13.091 -9.901 6.723 1.00 22.42 H new ATOM 0 HB2 ALA A 131 12.287 -9.660 5.154 1.00 22.42 H new ATOM 0 HB3 ALA A 131 12.219 -8.385 6.394 1.00 22.42 H new ATOM 1978 N HIS A 132 9.753 -9.264 8.740 1.00 74.41 N ATOM 1979 CA HIS A 132 9.483 -8.930 10.159 1.00 73.22 C ATOM 1980 C HIS A 132 10.465 -7.884 10.679 1.00 4.35 C ATOM 1981 O HIS A 132 10.691 -7.741 11.877 1.00 71.21 O ATOM 1982 CB HIS A 132 9.473 -10.189 11.055 1.00 41.41 C ATOM 1983 CG HIS A 132 8.348 -11.134 10.752 1.00 21.45 C ATOM 1984 ND1 HIS A 132 8.513 -12.467 10.439 1.00 65.44 N ATOM 1985 CD2 HIS A 132 7.015 -10.911 10.745 1.00 32.50 C ATOM 1986 CE1 HIS A 132 7.306 -13.001 10.257 1.00 70.32 C ATOM 1987 NE2 HIS A 132 6.351 -12.093 10.433 1.00 40.01 N ATOM 0 H HIS A 132 8.985 -9.011 8.118 1.00 74.41 H new ATOM 0 HA HIS A 132 8.484 -8.497 10.204 1.00 73.22 H new ATOM 0 HB2 HIS A 132 10.420 -10.716 10.938 1.00 41.41 H new ATOM 0 HB3 HIS A 132 9.407 -9.881 12.099 1.00 41.41 H new ATOM 0 HD2 HIS A 132 6.540 -9.963 10.950 1.00 32.50 H new ATOM 0 HE1 HIS A 132 7.127 -14.035 10.000 1.00 70.32 H new ATOM 0 HE2 HIS A 132 5.344 -12.233 10.356 1.00 40.01 H new ATOM 1995 N GLN A 133 10.935 -7.089 9.762 1.00 40.33 N ATOM 1996 CA GLN A 133 11.869 -6.010 10.005 1.00 61.44 C ATOM 1997 C GLN A 133 11.183 -4.674 9.906 1.00 44.23 C ATOM 1998 O GLN A 133 11.800 -3.647 9.618 1.00 51.20 O ATOM 1999 CB GLN A 133 13.074 -6.102 9.103 1.00 42.24 C ATOM 2000 CG GLN A 133 14.021 -7.187 9.535 1.00 32.12 C ATOM 2001 CD GLN A 133 15.273 -7.200 8.729 1.00 32.54 C ATOM 2002 OE1 GLN A 133 15.390 -7.907 7.749 1.00 51.01 O ATOM 2003 NE2 GLN A 133 16.184 -6.361 9.089 1.00 15.25 N ATOM 0 H GLN A 133 10.671 -7.172 8.780 1.00 40.33 H new ATOM 0 HA GLN A 133 12.239 -6.110 11.025 1.00 61.44 H new ATOM 0 HB2 GLN A 133 12.748 -6.292 8.081 1.00 42.24 H new ATOM 0 HB3 GLN A 133 13.597 -5.146 9.098 1.00 42.24 H new ATOM 0 HG2 GLN A 133 14.271 -7.050 10.587 1.00 32.12 H new ATOM 0 HG3 GLN A 133 13.526 -8.154 9.448 1.00 32.12 H new ATOM 0 HE21 GLN A 133 16.047 -5.785 9.919 1.00 15.25 H new ATOM 0 HE22 GLN A 133 17.041 -6.274 8.543 1.00 15.25 H new ATOM 2012 N ALA A 134 9.891 -4.710 10.168 1.00 62.44 N ATOM 2013 CA ALA A 134 8.997 -3.576 10.063 1.00 44.43 C ATOM 2014 C ALA A 134 9.491 -2.330 10.813 1.00 61.41 C ATOM 2015 O ALA A 134 9.179 -1.239 10.399 1.00 43.21 O ATOM 2016 CB ALA A 134 7.599 -3.961 10.516 1.00 73.43 C ATOM 0 H ALA A 134 9.419 -5.562 10.471 1.00 62.44 H new ATOM 0 HA ALA A 134 8.974 -3.299 9.009 1.00 44.43 H new ATOM 0 HB1 ALA A 134 6.939 -3.098 10.431 1.00 73.43 H new ATOM 0 HB2 ALA A 134 7.223 -4.769 9.888 1.00 73.43 H new ATOM 0 HB3 ALA A 134 7.631 -4.293 11.554 1.00 73.43 H new ATOM 2022 N ARG A 135 10.270 -2.487 11.894 1.00 73.41 N ATOM 2023 CA ARG A 135 10.793 -1.302 12.611 1.00 1.51 C ATOM 2024 C ARG A 135 11.661 -0.430 11.708 1.00 34.53 C ATOM 2025 O ARG A 135 11.572 0.797 11.753 1.00 14.33 O ATOM 2026 CB ARG A 135 11.557 -1.631 13.895 1.00 24.44 C ATOM 2027 CG ARG A 135 10.694 -2.088 15.067 1.00 4.44 C ATOM 2028 CD ARG A 135 10.210 -3.512 14.920 1.00 42.24 C ATOM 2029 NE ARG A 135 11.318 -4.464 14.936 1.00 0.21 N ATOM 2030 CZ ARG A 135 11.548 -5.357 15.900 1.00 73.42 C ATOM 2031 NH1 ARG A 135 10.802 -5.366 17.003 1.00 24.13 N ATOM 2032 NH2 ARG A 135 12.540 -6.230 15.772 1.00 12.43 N ATOM 0 H ARG A 135 10.547 -3.387 12.285 1.00 73.41 H new ATOM 0 HA ARG A 135 9.902 -0.748 12.906 1.00 1.51 H new ATOM 0 HB2 ARG A 135 12.285 -2.412 13.675 1.00 24.44 H new ATOM 0 HB3 ARG A 135 12.118 -0.748 14.201 1.00 24.44 H new ATOM 0 HG2 ARG A 135 11.266 -1.997 15.990 1.00 4.44 H new ATOM 0 HG3 ARG A 135 9.834 -1.425 15.159 1.00 4.44 H new ATOM 0 HD2 ARG A 135 9.517 -3.746 15.728 1.00 42.24 H new ATOM 0 HD3 ARG A 135 9.656 -3.614 13.987 1.00 42.24 H new ATOM 0 HE ARG A 135 11.966 -4.444 14.149 1.00 0.21 H new ATOM 0 HH11 ARG A 135 10.049 -4.687 17.115 1.00 24.13 H new ATOM 0 HH12 ARG A 135 10.984 -6.052 17.736 1.00 24.13 H new ATOM 0 HH21 ARG A 135 13.126 -6.218 14.937 1.00 12.43 H new ATOM 0 HH22 ARG A 135 12.716 -6.913 16.509 1.00 12.43 H new ATOM 2046 N GLU A 136 12.469 -1.062 10.866 1.00 24.31 N ATOM 2047 CA GLU A 136 13.299 -0.341 9.916 1.00 44.44 C ATOM 2048 C GLU A 136 12.419 0.413 8.915 1.00 32.12 C ATOM 2049 O GLU A 136 12.758 1.508 8.459 1.00 3.41 O ATOM 2050 CB GLU A 136 14.273 -1.273 9.163 1.00 70.11 C ATOM 2051 CG GLU A 136 15.461 -1.809 9.972 1.00 74.43 C ATOM 2052 CD GLU A 136 15.134 -2.917 10.949 1.00 52.42 C ATOM 2053 OE1 GLU A 136 14.524 -2.661 11.996 1.00 44.01 O ATOM 2054 OE2 GLU A 136 15.520 -4.071 10.683 1.00 22.21 O ATOM 0 H GLU A 136 12.566 -2.077 10.824 1.00 24.31 H new ATOM 0 HA GLU A 136 13.900 0.368 10.485 1.00 44.44 H new ATOM 0 HB2 GLU A 136 13.707 -2.123 8.781 1.00 70.11 H new ATOM 0 HB3 GLU A 136 14.662 -0.735 8.299 1.00 70.11 H new ATOM 0 HG2 GLU A 136 16.218 -2.172 9.277 1.00 74.43 H new ATOM 0 HG3 GLU A 136 15.906 -0.981 10.524 1.00 74.43 H new ATOM 2061 N VAL A 137 11.283 -0.171 8.615 1.00 31.40 N ATOM 2062 CA VAL A 137 10.318 0.417 7.708 1.00 10.21 C ATOM 2063 C VAL A 137 9.646 1.607 8.388 1.00 4.15 C ATOM 2064 O VAL A 137 9.566 2.697 7.819 1.00 5.23 O ATOM 2065 CB VAL A 137 9.234 -0.618 7.302 1.00 51.31 C ATOM 2066 CG1 VAL A 137 8.258 -0.040 6.285 1.00 73.22 C ATOM 2067 CG2 VAL A 137 9.876 -1.886 6.773 1.00 60.45 C ATOM 0 H VAL A 137 10.998 -1.074 8.995 1.00 31.40 H new ATOM 0 HA VAL A 137 10.842 0.742 6.809 1.00 10.21 H new ATOM 0 HB VAL A 137 8.664 -0.867 8.197 1.00 51.31 H new ATOM 0 HG11 VAL A 137 7.514 -0.794 6.025 1.00 73.22 H new ATOM 0 HG12 VAL A 137 7.759 0.830 6.713 1.00 73.22 H new ATOM 0 HG13 VAL A 137 8.801 0.258 5.388 1.00 73.22 H new ATOM 0 HG21 VAL A 137 9.099 -2.598 6.494 1.00 60.45 H new ATOM 0 HG22 VAL A 137 10.482 -1.649 5.899 1.00 60.45 H new ATOM 0 HG23 VAL A 137 10.509 -2.323 7.546 1.00 60.45 H new ATOM 2077 N VAL A 138 9.202 1.391 9.620 1.00 51.41 N ATOM 2078 CA VAL A 138 8.527 2.412 10.403 1.00 0.22 C ATOM 2079 C VAL A 138 9.429 3.614 10.623 1.00 21.33 C ATOM 2080 O VAL A 138 8.994 4.743 10.466 1.00 10.13 O ATOM 2081 CB VAL A 138 8.018 1.874 11.777 1.00 20.45 C ATOM 2082 CG1 VAL A 138 7.339 2.982 12.580 1.00 43.35 C ATOM 2083 CG2 VAL A 138 7.047 0.721 11.576 1.00 64.15 C ATOM 0 H VAL A 138 9.302 0.499 10.104 1.00 51.41 H new ATOM 0 HA VAL A 138 7.655 2.717 9.824 1.00 0.22 H new ATOM 0 HB VAL A 138 8.884 1.517 12.334 1.00 20.45 H new ATOM 0 HG11 VAL A 138 6.993 2.581 13.533 1.00 43.35 H new ATOM 0 HG12 VAL A 138 8.050 3.788 12.762 1.00 43.35 H new ATOM 0 HG13 VAL A 138 6.488 3.369 12.019 1.00 43.35 H new ATOM 0 HG21 VAL A 138 6.704 0.361 12.546 1.00 64.15 H new ATOM 0 HG22 VAL A 138 6.192 1.063 10.993 1.00 64.15 H new ATOM 0 HG23 VAL A 138 7.548 -0.088 11.045 1.00 64.15 H new ATOM 2093 N ARG A 139 10.683 3.377 10.966 1.00 52.34 N ATOM 2094 CA ARG A 139 11.607 4.479 11.178 1.00 52.13 C ATOM 2095 C ARG A 139 11.850 5.288 9.897 1.00 42.03 C ATOM 2096 O ARG A 139 11.955 6.515 9.943 1.00 23.22 O ATOM 2097 CB ARG A 139 12.889 4.061 11.890 1.00 50.43 C ATOM 2098 CG ARG A 139 13.823 3.145 11.154 1.00 42.21 C ATOM 2099 CD ARG A 139 14.969 2.793 12.071 1.00 43.31 C ATOM 2100 NE ARG A 139 15.960 1.908 11.466 1.00 61.41 N ATOM 2101 CZ ARG A 139 16.485 0.841 12.087 1.00 3.35 C ATOM 2102 NH1 ARG A 139 15.910 0.359 13.188 1.00 63.30 N ATOM 2103 NH2 ARG A 139 17.546 0.227 11.580 1.00 41.24 N ATOM 0 H ARG A 139 11.081 2.448 11.102 1.00 52.34 H new ATOM 0 HA ARG A 139 11.116 5.161 11.872 1.00 52.13 H new ATOM 0 HB2 ARG A 139 13.440 4.965 12.150 1.00 50.43 H new ATOM 0 HB3 ARG A 139 12.611 3.577 12.826 1.00 50.43 H new ATOM 0 HG2 ARG A 139 13.299 2.243 10.839 1.00 42.21 H new ATOM 0 HG3 ARG A 139 14.195 3.629 10.251 1.00 42.21 H new ATOM 0 HD2 ARG A 139 15.462 3.711 12.389 1.00 43.31 H new ATOM 0 HD3 ARG A 139 14.571 2.318 12.968 1.00 43.31 H new ATOM 0 HE ARG A 139 16.271 2.113 10.516 1.00 61.41 H new ATOM 0 HH11 ARG A 139 15.069 0.801 13.560 1.00 63.30 H new ATOM 0 HH12 ARG A 139 16.310 -0.452 13.659 1.00 63.30 H new ATOM 0 HH21 ARG A 139 17.966 0.566 10.714 1.00 41.24 H new ATOM 0 HH22 ARG A 139 17.942 -0.584 12.056 1.00 41.24 H new ATOM 2117 N ARG A 140 11.925 4.606 8.750 1.00 12.23 N ATOM 2118 CA ARG A 140 12.015 5.306 7.467 1.00 1.34 C ATOM 2119 C ARG A 140 10.748 6.108 7.212 1.00 75.40 C ATOM 2120 O ARG A 140 10.806 7.232 6.728 1.00 21.20 O ATOM 2121 CB ARG A 140 12.263 4.352 6.298 1.00 15.22 C ATOM 2122 CG ARG A 140 13.724 4.134 5.929 1.00 21.44 C ATOM 2123 CD ARG A 140 14.394 5.457 5.544 1.00 34.14 C ATOM 2124 NE ARG A 140 15.560 5.250 4.687 1.00 4.44 N ATOM 2125 CZ ARG A 140 16.583 6.092 4.513 1.00 1.13 C ATOM 2126 NH1 ARG A 140 16.681 7.206 5.227 1.00 53.41 N ATOM 2127 NH2 ARG A 140 17.510 5.799 3.611 1.00 12.20 N ATOM 0 H ARG A 140 11.925 3.588 8.684 1.00 12.23 H new ATOM 0 HA ARG A 140 12.871 5.978 7.532 1.00 1.34 H new ATOM 0 HB2 ARG A 140 11.819 3.386 6.539 1.00 15.22 H new ATOM 0 HB3 ARG A 140 11.738 4.734 5.422 1.00 15.22 H new ATOM 0 HG2 ARG A 140 14.253 3.685 6.770 1.00 21.44 H new ATOM 0 HG3 ARG A 140 13.793 3.432 5.098 1.00 21.44 H new ATOM 0 HD2 ARG A 140 13.673 6.092 5.029 1.00 34.14 H new ATOM 0 HD3 ARG A 140 14.697 5.986 6.447 1.00 34.14 H new ATOM 0 HE ARG A 140 15.597 4.372 4.168 1.00 4.44 H new ATOM 0 HH11 ARG A 140 15.969 7.431 5.922 1.00 53.41 H new ATOM 0 HH12 ARG A 140 17.469 7.838 5.081 1.00 53.41 H new ATOM 0 HH21 ARG A 140 17.435 4.942 3.063 1.00 12.20 H new ATOM 0 HH22 ARG A 140 18.298 6.431 3.465 1.00 12.20 H new ATOM 2141 N ALA A 141 9.620 5.522 7.563 1.00 74.44 N ATOM 2142 CA ALA A 141 8.322 6.156 7.427 1.00 44.04 C ATOM 2143 C ALA A 141 8.258 7.421 8.274 1.00 43.44 C ATOM 2144 O ALA A 141 7.831 8.476 7.803 1.00 42.21 O ATOM 2145 CB ALA A 141 7.247 5.193 7.864 1.00 61.52 C ATOM 0 H ALA A 141 9.578 4.581 7.955 1.00 74.44 H new ATOM 0 HA ALA A 141 8.167 6.429 6.383 1.00 44.04 H new ATOM 0 HB1 ALA A 141 6.271 5.667 7.763 1.00 61.52 H new ATOM 0 HB2 ALA A 141 7.283 4.300 7.240 1.00 61.52 H new ATOM 0 HB3 ALA A 141 7.409 4.915 8.905 1.00 61.52 H new ATOM 2151 N GLN A 142 8.707 7.306 9.509 1.00 42.12 N ATOM 2152 CA GLN A 142 8.756 8.419 10.444 1.00 53.14 C ATOM 2153 C GLN A 142 9.654 9.523 9.919 1.00 74.24 C ATOM 2154 O GLN A 142 9.270 10.684 9.915 1.00 72.15 O ATOM 2155 CB GLN A 142 9.231 7.951 11.812 1.00 33.44 C ATOM 2156 CG GLN A 142 8.255 7.031 12.522 1.00 35.12 C ATOM 2157 CD GLN A 142 8.786 6.517 13.839 1.00 72.34 C ATOM 2158 OE1 GLN A 142 9.988 6.339 14.019 1.00 14.13 O ATOM 2159 NE2 GLN A 142 7.905 6.267 14.764 1.00 30.22 N ATOM 0 H GLN A 142 9.052 6.429 9.898 1.00 42.12 H new ATOM 0 HA GLN A 142 7.747 8.819 10.548 1.00 53.14 H new ATOM 0 HB2 GLN A 142 10.184 7.434 11.697 1.00 33.44 H new ATOM 0 HB3 GLN A 142 9.415 8.823 12.440 1.00 33.44 H new ATOM 0 HG2 GLN A 142 7.321 7.565 12.696 1.00 35.12 H new ATOM 0 HG3 GLN A 142 8.023 6.186 11.874 1.00 35.12 H new ATOM 0 HE21 GLN A 142 6.914 6.426 14.581 1.00 30.22 H new ATOM 0 HE22 GLN A 142 8.205 5.912 15.672 1.00 30.22 H new ATOM 2168 N ALA A 143 10.821 9.143 9.422 1.00 54.44 N ATOM 2169 CA ALA A 143 11.778 10.096 8.867 1.00 53.14 C ATOM 2170 C ALA A 143 11.258 10.732 7.569 1.00 51.04 C ATOM 2171 O ALA A 143 11.727 11.798 7.145 1.00 43.31 O ATOM 2172 CB ALA A 143 13.116 9.420 8.627 1.00 15.03 C ATOM 0 H ALA A 143 11.133 8.172 9.390 1.00 54.44 H new ATOM 0 HA ALA A 143 11.910 10.896 9.596 1.00 53.14 H new ATOM 0 HB1 ALA A 143 13.820 10.142 8.213 1.00 15.03 H new ATOM 0 HB2 ALA A 143 13.504 9.035 9.570 1.00 15.03 H new ATOM 0 HB3 ALA A 143 12.987 8.596 7.925 1.00 15.03 H new ATOM 2178 N MET A 144 10.317 10.073 6.936 1.00 34.31 N ATOM 2179 CA MET A 144 9.701 10.576 5.723 1.00 51.22 C ATOM 2180 C MET A 144 8.585 11.559 6.072 1.00 72.41 C ATOM 2181 O MET A 144 8.437 12.608 5.446 1.00 23.11 O ATOM 2182 CB MET A 144 9.132 9.410 4.890 1.00 25.44 C ATOM 2183 CG MET A 144 8.442 9.826 3.590 1.00 13.13 C ATOM 2184 SD MET A 144 9.555 10.617 2.404 1.00 51.23 S ATOM 2185 CE MET A 144 10.698 9.276 2.041 1.00 0.54 C ATOM 0 H MET A 144 9.954 9.171 7.245 1.00 34.31 H new ATOM 0 HA MET A 144 10.459 11.092 5.134 1.00 51.22 H new ATOM 0 HB2 MET A 144 9.944 8.724 4.650 1.00 25.44 H new ATOM 0 HB3 MET A 144 8.419 8.859 5.503 1.00 25.44 H new ATOM 0 HG2 MET A 144 7.996 8.946 3.127 1.00 13.13 H new ATOM 0 HG3 MET A 144 7.627 10.511 3.824 1.00 13.13 H new ATOM 0 HE1 MET A 144 11.244 9.501 1.125 1.00 0.54 H new ATOM 0 HE2 MET A 144 11.403 9.166 2.865 1.00 0.54 H new ATOM 0 HE3 MET A 144 10.141 8.348 1.913 1.00 0.54 H new ATOM 2195 N ALA A 145 7.818 11.226 7.082 1.00 52.12 N ATOM 2196 CA ALA A 145 6.685 12.038 7.478 1.00 3.24 C ATOM 2197 C ALA A 145 7.097 13.224 8.344 1.00 32.41 C ATOM 2198 O ALA A 145 6.766 14.372 8.038 1.00 45.11 O ATOM 2199 CB ALA A 145 5.639 11.187 8.183 1.00 71.33 C ATOM 0 H ALA A 145 7.957 10.391 7.651 1.00 52.12 H new ATOM 0 HA ALA A 145 6.247 12.449 6.568 1.00 3.24 H new ATOM 0 HB1 ALA A 145 4.796 11.814 8.473 1.00 71.33 H new ATOM 0 HB2 ALA A 145 5.294 10.403 7.509 1.00 71.33 H new ATOM 0 HB3 ALA A 145 6.077 10.734 9.072 1.00 71.33 H new ATOM 2205 N TYR A 146 7.835 12.958 9.390 1.00 72.52 N ATOM 2206 CA TYR A 146 8.217 13.978 10.333 1.00 2.11 C ATOM 2207 C TYR A 146 9.728 14.106 10.388 1.00 53.03 C ATOM 2208 O TYR A 146 10.368 13.510 11.269 1.00 39.76 O ATOM 2209 CB TYR A 146 7.631 13.672 11.724 1.00 25.50 C ATOM 2210 CG TYR A 146 6.115 13.698 11.760 1.00 71.15 C ATOM 2211 CD1 TYR A 146 5.440 14.891 11.939 1.00 14.25 C ATOM 2212 CD2 TYR A 146 5.363 12.537 11.597 1.00 24.13 C ATOM 2213 CE1 TYR A 146 4.064 14.939 11.960 1.00 24.03 C ATOM 2214 CE2 TYR A 146 3.977 12.578 11.611 1.00 65.01 C ATOM 2215 CZ TYR A 146 3.337 13.786 11.793 1.00 33.42 C ATOM 2216 OH TYR A 146 1.958 13.849 11.806 1.00 23.31 O ATOM 2217 OXT TYR A 146 10.298 14.806 9.524 1.00 39.76 O ATOM 0 H TYR A 146 8.189 12.028 9.613 1.00 72.52 H new ATOM 0 HA TYR A 146 7.810 14.934 10.002 1.00 2.11 H new ATOM 0 HB2 TYR A 146 7.978 12.691 12.048 1.00 25.50 H new ATOM 0 HB3 TYR A 146 8.016 14.398 12.440 1.00 25.50 H new ATOM 0 HD1 TYR A 146 6.003 15.804 12.065 1.00 14.25 H new ATOM 0 HD2 TYR A 146 5.866 11.592 11.458 1.00 24.13 H new ATOM 0 HE1 TYR A 146 3.558 15.881 12.107 1.00 24.03 H new ATOM 0 HE2 TYR A 146 3.404 11.672 11.481 1.00 65.01 H new ATOM 0 HH TYR A 146 1.592 12.963 12.011 1.00 23.31 H new TER 2227 TYR A 146