USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 951 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 101 GLN : amide:sc= -1.55 X(o=-1.6,f=-1.4) USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= -0.0938 USER MOD Set 2.1: A 28 MET CE :methyl -138:sc= -0.0539 (180deg=-1.25) USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.0698 F(o=-0.77,f=-0.12) USER MOD Single : A 1 MET CE :methyl 174:sc= -1.38 (180deg=-1.45) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0468 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0927 K(o=-0.093,f=-4.4!) USER MOD Single : A 17 SER OG : rot 32:sc= 0.0774 USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= 0.538 (180deg=0.483) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= -0.0365 (180deg=-0.201) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -174:sc= -0.23 (180deg=-0.292) USER MOD Single : A 35 THR OG1 : rot -149:sc= 0.333 USER MOD Single : A 41 ASN : amide:sc= 0.447 K(o=0.45,f=-3.7!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.68 K(o=-0.68,f=-8.6!) USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= 0.0333 (180deg=-2.77!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= -0.0819 (180deg=-0.265) USER MOD Single : A 78 GLN : amide:sc= -0.11 K(o=-0.11,f=-3.2!) USER MOD Single : A 83 SER OG : rot -79:sc= 0.132 USER MOD Single : A 85 CYS SG : rot -107:sc= 0.19 USER MOD Single : A 87 SER OG : rot -34:sc= 0.0738 USER MOD Single : A 88 MET CE :methyl -125:sc= -0.0375 (180deg=-0.44) USER MOD Single : A 90 ASN : amide:sc= -2.47! X(o=-2.5!,f=-2.4) USER MOD Single : A 97 MET CE :methyl -149:sc= -0.151 (180deg=-1.6) USER MOD Single : A 98 GLN : amide:sc= 0.487 K(o=0.49,f=-0.044) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0303) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=-0.13) USER MOD Single : A 120 LYS NZ :NH3+ -163:sc= 1.21 (180deg=0.873) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -138:sc= 0.791 (180deg=0.0554) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.800 -1.081 -0.787 1.00 10.12 N ATOM 2 CA MET A 1 -12.558 -1.431 -1.540 1.00 4.23 C ATOM 3 C MET A 1 -12.847 -2.192 -2.845 1.00 65.31 C ATOM 4 O MET A 1 -13.958 -2.672 -3.079 1.00 45.10 O ATOM 5 CB MET A 1 -11.627 -2.315 -0.672 1.00 75.05 C ATOM 6 CG MET A 1 -10.950 -1.620 0.498 1.00 74.22 C ATOM 7 SD MET A 1 -9.886 -2.770 1.379 1.00 62.03 S ATOM 8 CE MET A 1 -8.917 -1.665 2.371 1.00 45.24 C ATOM 0 H1 MET A 1 -13.945 -0.051 -0.815 1.00 10.12 H new ATOM 0 H2 MET A 1 -14.616 -1.557 -1.222 1.00 10.12 H new ATOM 0 H3 MET A 1 -13.706 -1.390 0.201 1.00 10.12 H new ATOM 0 HA MET A 1 -12.080 -0.483 -1.786 1.00 4.23 H new ATOM 0 HB2 MET A 1 -12.210 -3.151 -0.285 1.00 75.05 H new ATOM 0 HB3 MET A 1 -10.854 -2.736 -1.316 1.00 75.05 H new ATOM 0 HG2 MET A 1 -10.363 -0.775 0.137 1.00 74.22 H new ATOM 0 HG3 MET A 1 -11.703 -1.219 1.176 1.00 74.22 H new ATOM 0 HE1 MET A 1 -8.287 -2.242 3.048 1.00 45.24 H new ATOM 0 HE2 MET A 1 -8.289 -1.052 1.725 1.00 45.24 H new ATOM 0 HE3 MET A 1 -9.579 -1.021 2.951 1.00 45.24 H new ATOM 20 N ARG A 2 -11.804 -2.281 -3.694 1.00 31.33 N ATOM 21 CA ARG A 2 -11.758 -3.206 -4.843 1.00 61.54 C ATOM 22 C ARG A 2 -10.736 -4.338 -4.577 1.00 71.31 C ATOM 23 O ARG A 2 -10.082 -4.377 -3.525 1.00 22.34 O ATOM 24 CB ARG A 2 -11.387 -2.455 -6.155 1.00 1.21 C ATOM 25 CG ARG A 2 -12.478 -1.508 -6.717 1.00 13.14 C ATOM 26 CD ARG A 2 -12.614 -0.185 -5.946 1.00 62.02 C ATOM 27 NE ARG A 2 -13.658 0.676 -6.521 1.00 22.45 N ATOM 28 CZ ARG A 2 -14.158 1.751 -5.960 1.00 3.14 C ATOM 29 NH1 ARG A 2 -13.772 2.146 -4.784 1.00 41.53 N ATOM 30 NH2 ARG A 2 -15.077 2.413 -6.568 1.00 65.10 N ATOM 0 H ARG A 2 -10.965 -1.709 -3.601 1.00 31.33 H new ATOM 0 HA ARG A 2 -12.751 -3.639 -4.966 1.00 61.54 H new ATOM 0 HB2 ARG A 2 -10.483 -1.873 -5.976 1.00 1.21 H new ATOM 0 HB3 ARG A 2 -11.144 -3.194 -6.919 1.00 1.21 H new ATOM 0 HG2 ARG A 2 -12.251 -1.287 -7.760 1.00 13.14 H new ATOM 0 HG3 ARG A 2 -13.437 -2.026 -6.702 1.00 13.14 H new ATOM 0 HD2 ARG A 2 -12.849 -0.395 -4.903 1.00 62.02 H new ATOM 0 HD3 ARG A 2 -11.660 0.343 -5.958 1.00 62.02 H new ATOM 0 HE ARG A 2 -14.025 0.415 -7.436 1.00 22.45 H new ATOM 0 HH11 ARG A 2 -13.064 1.616 -4.275 1.00 41.53 H new ATOM 0 HH12 ARG A 2 -14.177 2.986 -4.370 1.00 41.53 H new ATOM 0 HH21 ARG A 2 -15.412 2.101 -7.480 1.00 65.10 H new ATOM 0 HH22 ARG A 2 -15.471 3.250 -6.139 1.00 65.10 H new ATOM 44 N SER A 3 -10.613 -5.251 -5.553 1.00 24.35 N ATOM 45 CA SER A 3 -9.634 -6.360 -5.511 1.00 35.21 C ATOM 46 C SER A 3 -8.184 -5.863 -5.717 1.00 44.11 C ATOM 47 O SER A 3 -7.962 -4.796 -6.297 1.00 13.31 O ATOM 48 CB SER A 3 -9.985 -7.416 -6.580 1.00 70.45 C ATOM 49 OG SER A 3 -11.257 -7.993 -6.334 1.00 53.22 O ATOM 0 H SER A 3 -11.187 -5.245 -6.396 1.00 24.35 H new ATOM 0 HA SER A 3 -9.690 -6.809 -4.519 1.00 35.21 H new ATOM 0 HB2 SER A 3 -9.977 -6.954 -7.567 1.00 70.45 H new ATOM 0 HB3 SER A 3 -9.224 -8.196 -6.587 1.00 70.45 H new ATOM 0 HG SER A 3 -11.455 -8.657 -7.027 1.00 53.22 H new ATOM 55 N ALA A 4 -7.206 -6.659 -5.241 1.00 33.24 N ATOM 56 CA ALA A 4 -5.763 -6.360 -5.396 1.00 32.52 C ATOM 57 C ALA A 4 -5.346 -6.321 -6.892 1.00 62.13 C ATOM 58 O ALA A 4 -4.525 -5.498 -7.297 1.00 12.45 O ATOM 59 CB ALA A 4 -4.934 -7.394 -4.615 1.00 3.40 C ATOM 0 H ALA A 4 -7.391 -7.527 -4.738 1.00 33.24 H new ATOM 0 HA ALA A 4 -5.569 -5.369 -4.987 1.00 32.52 H new ATOM 0 HB1 ALA A 4 -3.873 -7.172 -4.731 1.00 3.40 H new ATOM 0 HB2 ALA A 4 -5.201 -7.352 -3.559 1.00 3.40 H new ATOM 0 HB3 ALA A 4 -5.140 -8.392 -5.001 1.00 3.40 H new ATOM 65 N THR A 5 -5.942 -7.220 -7.695 1.00 45.15 N ATOM 66 CA THR A 5 -5.768 -7.242 -9.176 1.00 41.22 C ATOM 67 C THR A 5 -6.363 -5.985 -9.865 1.00 71.03 C ATOM 68 O THR A 5 -5.832 -5.516 -10.879 1.00 64.05 O ATOM 69 CB THR A 5 -6.369 -8.541 -9.820 1.00 70.22 C ATOM 70 OG1 THR A 5 -6.442 -8.426 -11.252 1.00 32.33 O ATOM 71 CG2 THR A 5 -7.749 -8.907 -9.250 1.00 73.30 C ATOM 0 H THR A 5 -6.558 -7.954 -7.346 1.00 45.15 H new ATOM 0 HA THR A 5 -4.691 -7.238 -9.345 1.00 41.22 H new ATOM 0 HB THR A 5 -5.686 -9.350 -9.561 1.00 70.22 H new ATOM 0 HG1 THR A 5 -6.818 -9.249 -11.628 1.00 32.33 H new ATOM 0 HG21 THR A 5 -8.114 -9.813 -9.733 1.00 73.30 H new ATOM 0 HG22 THR A 5 -7.666 -9.077 -8.176 1.00 73.30 H new ATOM 0 HG23 THR A 5 -8.447 -8.091 -9.435 1.00 73.30 H new ATOM 79 N ASP A 6 -7.469 -5.454 -9.314 1.00 21.41 N ATOM 80 CA ASP A 6 -8.087 -4.206 -9.813 1.00 53.41 C ATOM 81 C ASP A 6 -7.162 -2.980 -9.554 1.00 34.23 C ATOM 82 O ASP A 6 -6.988 -2.126 -10.423 1.00 34.14 O ATOM 83 CB ASP A 6 -9.470 -4.007 -9.147 1.00 12.22 C ATOM 84 CG ASP A 6 -10.262 -2.834 -9.753 1.00 63.45 C ATOM 85 OD1 ASP A 6 -11.004 -3.053 -10.731 1.00 61.34 O ATOM 86 OD2 ASP A 6 -10.138 -1.689 -9.265 1.00 13.44 O ATOM 0 H ASP A 6 -7.957 -5.869 -8.520 1.00 21.41 H new ATOM 0 HA ASP A 6 -8.223 -4.289 -10.891 1.00 53.41 H new ATOM 0 HB2 ASP A 6 -10.052 -4.923 -9.249 1.00 12.22 H new ATOM 0 HB3 ASP A 6 -9.332 -3.833 -8.080 1.00 12.22 H new ATOM 91 N LEU A 7 -6.579 -2.913 -8.344 1.00 42.42 N ATOM 92 CA LEU A 7 -5.598 -1.854 -7.971 1.00 71.32 C ATOM 93 C LEU A 7 -4.283 -1.982 -8.781 1.00 61.04 C ATOM 94 O LEU A 7 -3.592 -0.986 -9.042 1.00 44.24 O ATOM 95 CB LEU A 7 -5.296 -1.914 -6.453 1.00 5.40 C ATOM 96 CG LEU A 7 -6.533 -1.823 -5.506 1.00 52.25 C ATOM 97 CD1 LEU A 7 -6.090 -1.883 -4.038 1.00 61.15 C ATOM 98 CD2 LEU A 7 -7.387 -0.561 -5.790 1.00 72.23 C ATOM 0 H LEU A 7 -6.766 -3.581 -7.596 1.00 42.42 H new ATOM 0 HA LEU A 7 -6.045 -0.889 -8.211 1.00 71.32 H new ATOM 0 HB2 LEU A 7 -4.771 -2.846 -6.244 1.00 5.40 H new ATOM 0 HB3 LEU A 7 -4.613 -1.101 -6.206 1.00 5.40 H new ATOM 0 HG LEU A 7 -7.170 -2.684 -5.706 1.00 52.25 H new ATOM 0 HD11 LEU A 7 -6.965 -1.818 -3.391 1.00 61.15 H new ATOM 0 HD12 LEU A 7 -5.571 -2.823 -3.853 1.00 61.15 H new ATOM 0 HD13 LEU A 7 -5.420 -1.050 -3.826 1.00 61.15 H new ATOM 0 HD21 LEU A 7 -8.238 -0.537 -5.109 1.00 72.23 H new ATOM 0 HD22 LEU A 7 -6.778 0.331 -5.642 1.00 72.23 H new ATOM 0 HD23 LEU A 7 -7.746 -0.589 -6.819 1.00 72.23 H new ATOM 110 N LEU A 8 -3.962 -3.230 -9.172 1.00 73.22 N ATOM 111 CA LEU A 8 -2.808 -3.545 -10.044 1.00 13.04 C ATOM 112 C LEU A 8 -2.973 -2.910 -11.449 1.00 61.32 C ATOM 113 O LEU A 8 -1.986 -2.580 -12.115 1.00 60.45 O ATOM 114 CB LEU A 8 -2.651 -5.080 -10.186 1.00 43.33 C ATOM 115 CG LEU A 8 -1.341 -5.564 -10.885 1.00 51.54 C ATOM 116 CD1 LEU A 8 -0.127 -5.431 -9.942 1.00 11.30 C ATOM 117 CD2 LEU A 8 -1.491 -6.998 -11.440 1.00 53.22 C ATOM 0 H LEU A 8 -4.496 -4.053 -8.892 1.00 73.22 H new ATOM 0 HA LEU A 8 -1.916 -3.126 -9.579 1.00 13.04 H new ATOM 0 HB2 LEU A 8 -2.697 -5.525 -9.192 1.00 43.33 H new ATOM 0 HB3 LEU A 8 -3.503 -5.464 -10.747 1.00 43.33 H new ATOM 0 HG LEU A 8 -1.159 -4.913 -11.740 1.00 51.54 H new ATOM 0 HD11 LEU A 8 0.771 -5.775 -10.455 1.00 11.30 H new ATOM 0 HD12 LEU A 8 -0.003 -4.387 -9.654 1.00 11.30 H new ATOM 0 HD13 LEU A 8 -0.291 -6.037 -9.051 1.00 11.30 H new ATOM 0 HD21 LEU A 8 -0.560 -7.302 -11.919 1.00 53.22 H new ATOM 0 HD22 LEU A 8 -1.718 -7.682 -10.623 1.00 53.22 H new ATOM 0 HD23 LEU A 8 -2.300 -7.023 -12.170 1.00 53.22 H new ATOM 129 N ASP A 9 -4.244 -2.755 -11.886 1.00 3.25 N ATOM 130 CA ASP A 9 -4.582 -2.139 -13.182 1.00 34.11 C ATOM 131 C ASP A 9 -4.097 -0.666 -13.265 1.00 34.44 C ATOM 132 O ASP A 9 -3.695 -0.225 -14.338 1.00 64.02 O ATOM 133 CB ASP A 9 -6.103 -2.248 -13.463 1.00 5.54 C ATOM 134 CG ASP A 9 -6.515 -1.663 -14.831 1.00 44.12 C ATOM 135 OD1 ASP A 9 -6.134 -2.239 -15.874 1.00 30.34 O ATOM 136 OD2 ASP A 9 -7.192 -0.614 -14.868 1.00 60.42 O ATOM 0 H ASP A 9 -5.059 -3.053 -11.350 1.00 3.25 H new ATOM 0 HA ASP A 9 -4.053 -2.693 -13.958 1.00 34.11 H new ATOM 0 HB2 ASP A 9 -6.399 -3.296 -13.420 1.00 5.54 H new ATOM 0 HB3 ASP A 9 -6.649 -1.730 -12.675 1.00 5.54 H new ATOM 141 N GLU A 10 -4.113 0.090 -12.133 1.00 63.13 N ATOM 142 CA GLU A 10 -3.531 1.458 -12.113 1.00 1.52 C ATOM 143 C GLU A 10 -1.999 1.373 -12.280 1.00 54.30 C ATOM 144 O GLU A 10 -1.438 2.018 -13.163 1.00 53.21 O ATOM 145 CB GLU A 10 -3.855 2.258 -10.815 1.00 52.34 C ATOM 146 CG GLU A 10 -3.325 3.721 -10.862 1.00 42.44 C ATOM 147 CD GLU A 10 -3.390 4.480 -9.527 1.00 75.04 C ATOM 148 OE1 GLU A 10 -4.497 4.913 -9.134 1.00 65.33 O ATOM 149 OE2 GLU A 10 -2.334 4.656 -8.876 1.00 75.22 O ATOM 0 H GLU A 10 -4.512 -0.215 -11.245 1.00 63.13 H new ATOM 0 HA GLU A 10 -3.990 1.997 -12.942 1.00 1.52 H new ATOM 0 HB2 GLU A 10 -4.934 2.272 -10.662 1.00 52.34 H new ATOM 0 HB3 GLU A 10 -3.418 1.745 -9.958 1.00 52.34 H new ATOM 0 HG2 GLU A 10 -2.290 3.705 -11.204 1.00 42.44 H new ATOM 0 HG3 GLU A 10 -3.898 4.275 -11.606 1.00 42.44 H new ATOM 156 N LEU A 11 -1.354 0.538 -11.430 1.00 3.31 N ATOM 157 CA LEU A 11 0.121 0.323 -11.415 1.00 21.03 C ATOM 158 C LEU A 11 0.701 0.028 -12.829 1.00 3.52 C ATOM 159 O LEU A 11 1.735 0.572 -13.213 1.00 73.01 O ATOM 160 CB LEU A 11 0.452 -0.854 -10.451 1.00 54.22 C ATOM 161 CG LEU A 11 0.065 -0.635 -8.951 1.00 50.30 C ATOM 162 CD1 LEU A 11 0.191 -1.941 -8.133 1.00 55.30 C ATOM 163 CD2 LEU A 11 0.916 0.493 -8.329 1.00 53.30 C ATOM 0 H LEU A 11 -1.845 -0.013 -10.726 1.00 3.31 H new ATOM 0 HA LEU A 11 0.587 1.246 -11.070 1.00 21.03 H new ATOM 0 HB2 LEU A 11 -0.057 -1.748 -10.811 1.00 54.22 H new ATOM 0 HB3 LEU A 11 1.522 -1.053 -10.505 1.00 54.22 H new ATOM 0 HG LEU A 11 -0.982 -0.333 -8.919 1.00 50.30 H new ATOM 0 HD11 LEU A 11 -0.086 -1.749 -7.096 1.00 55.30 H new ATOM 0 HD12 LEU A 11 -0.472 -2.698 -8.552 1.00 55.30 H new ATOM 0 HD13 LEU A 11 1.220 -2.298 -8.173 1.00 55.30 H new ATOM 0 HD21 LEU A 11 0.632 0.630 -7.286 1.00 53.30 H new ATOM 0 HD22 LEU A 11 1.971 0.226 -8.386 1.00 53.30 H new ATOM 0 HD23 LEU A 11 0.747 1.420 -8.876 1.00 53.30 H new ATOM 175 N ASN A 12 0.020 -0.864 -13.568 1.00 5.43 N ATOM 176 CA ASN A 12 0.396 -1.244 -14.952 1.00 61.02 C ATOM 177 C ASN A 12 -0.072 -0.219 -16.026 1.00 44.20 C ATOM 178 O ASN A 12 0.539 -0.139 -17.099 1.00 10.55 O ATOM 179 CB ASN A 12 -0.157 -2.660 -15.269 1.00 15.11 C ATOM 180 CG ASN A 12 0.533 -3.771 -14.468 1.00 44.03 C ATOM 181 OD1 ASN A 12 1.716 -3.694 -14.168 1.00 4.21 O ATOM 182 ND2 ASN A 12 -0.195 -4.815 -14.122 1.00 35.43 N ATOM 0 H ASN A 12 -0.811 -1.347 -13.226 1.00 5.43 H new ATOM 0 HA ASN A 12 1.485 -1.247 -14.998 1.00 61.02 H new ATOM 0 HB2 ASN A 12 -1.227 -2.681 -15.060 1.00 15.11 H new ATOM 0 HB3 ASN A 12 -0.037 -2.860 -16.334 1.00 15.11 H new ATOM 0 HD21 ASN A 12 0.227 -5.579 -13.594 1.00 35.43 H new ATOM 0 HD22 ASN A 12 -1.180 -4.859 -14.383 1.00 35.43 H new ATOM 189 N ALA A 13 -1.159 0.547 -15.755 1.00 41.10 N ATOM 190 CA ALA A 13 -1.665 1.588 -16.701 1.00 12.15 C ATOM 191 C ALA A 13 -0.705 2.793 -16.779 1.00 53.12 C ATOM 192 O ALA A 13 -0.301 3.211 -17.869 1.00 71.04 O ATOM 193 CB ALA A 13 -3.071 2.066 -16.296 1.00 51.21 C ATOM 0 H ALA A 13 -1.703 0.468 -14.896 1.00 41.10 H new ATOM 0 HA ALA A 13 -1.720 1.127 -17.687 1.00 12.15 H new ATOM 0 HB1 ALA A 13 -3.415 2.823 -17.001 1.00 51.21 H new ATOM 0 HB2 ALA A 13 -3.760 1.221 -16.306 1.00 51.21 H new ATOM 0 HB3 ALA A 13 -3.035 2.493 -15.294 1.00 51.21 H new ATOM 199 N VAL A 14 -0.377 3.366 -15.607 1.00 73.33 N ATOM 200 CA VAL A 14 0.622 4.445 -15.494 1.00 12.13 C ATOM 201 C VAL A 14 2.054 3.854 -15.469 1.00 14.24 C ATOM 202 O VAL A 14 2.290 2.796 -14.882 1.00 24.44 O ATOM 203 CB VAL A 14 0.368 5.362 -14.223 1.00 3.43 C ATOM 204 CG1 VAL A 14 -0.988 6.107 -14.338 1.00 31.04 C ATOM 205 CG2 VAL A 14 0.439 4.564 -12.891 1.00 54.14 C ATOM 0 H VAL A 14 -0.794 3.096 -14.716 1.00 73.33 H new ATOM 0 HA VAL A 14 0.519 5.081 -16.373 1.00 12.13 H new ATOM 0 HB VAL A 14 1.172 6.097 -14.202 1.00 3.43 H new ATOM 0 HG11 VAL A 14 -1.138 6.728 -13.455 1.00 31.04 H new ATOM 0 HG12 VAL A 14 -0.983 6.736 -15.228 1.00 31.04 H new ATOM 0 HG13 VAL A 14 -1.797 5.380 -14.412 1.00 31.04 H new ATOM 0 HG21 VAL A 14 0.258 5.238 -12.053 1.00 54.14 H new ATOM 0 HG22 VAL A 14 -0.318 3.780 -12.896 1.00 54.14 H new ATOM 0 HG23 VAL A 14 1.427 4.114 -12.788 1.00 54.14 H new ATOM 215 N ASP A 15 2.988 4.527 -16.164 1.00 3.33 N ATOM 216 CA ASP A 15 4.425 4.152 -16.183 1.00 12.55 C ATOM 217 C ASP A 15 5.038 4.161 -14.754 1.00 51.35 C ATOM 218 O ASP A 15 5.772 3.245 -14.362 1.00 42.13 O ATOM 219 CB ASP A 15 5.188 5.143 -17.102 1.00 70.34 C ATOM 220 CG ASP A 15 6.706 4.885 -17.155 1.00 15.31 C ATOM 221 OD1 ASP A 15 7.131 3.949 -17.863 1.00 72.11 O ATOM 222 OD2 ASP A 15 7.480 5.612 -16.487 1.00 72.42 O ATOM 0 H ASP A 15 2.774 5.348 -16.731 1.00 3.33 H new ATOM 0 HA ASP A 15 4.518 3.136 -16.568 1.00 12.55 H new ATOM 0 HB2 ASP A 15 4.781 5.078 -18.111 1.00 70.34 H new ATOM 0 HB3 ASP A 15 5.012 6.160 -16.752 1.00 70.34 H new ATOM 227 N GLU A 16 4.725 5.221 -13.995 1.00 62.13 N ATOM 228 CA GLU A 16 5.184 5.402 -12.597 1.00 72.42 C ATOM 229 C GLU A 16 3.971 5.590 -11.647 1.00 14.41 C ATOM 230 O GLU A 16 3.011 6.283 -11.996 1.00 24.00 O ATOM 231 CB GLU A 16 6.154 6.618 -12.537 1.00 54.04 C ATOM 232 CG GLU A 16 5.611 7.899 -13.206 1.00 30.35 C ATOM 233 CD GLU A 16 6.626 9.049 -13.250 1.00 15.35 C ATOM 234 OE1 GLU A 16 7.476 9.073 -14.170 1.00 0.05 O ATOM 235 OE2 GLU A 16 6.589 9.931 -12.367 1.00 10.44 O ATOM 0 H GLU A 16 4.141 5.987 -14.331 1.00 62.13 H new ATOM 0 HA GLU A 16 5.718 4.512 -12.263 1.00 72.42 H new ATOM 0 HB2 GLU A 16 6.381 6.836 -11.493 1.00 54.04 H new ATOM 0 HB3 GLU A 16 7.093 6.342 -13.016 1.00 54.04 H new ATOM 0 HG2 GLU A 16 5.299 7.663 -14.223 1.00 30.35 H new ATOM 0 HG3 GLU A 16 4.723 8.231 -12.669 1.00 30.35 H new ATOM 242 N SER A 17 4.039 4.936 -10.462 1.00 43.41 N ATOM 243 CA SER A 17 2.974 4.946 -9.406 1.00 62.24 C ATOM 244 C SER A 17 2.375 6.357 -9.136 1.00 33.41 C ATOM 245 O SER A 17 3.107 7.303 -8.832 1.00 71.01 O ATOM 246 CB SER A 17 3.552 4.358 -8.094 1.00 44.44 C ATOM 247 OG SER A 17 4.680 5.094 -7.641 1.00 24.11 O ATOM 0 H SER A 17 4.848 4.373 -10.200 1.00 43.41 H new ATOM 0 HA SER A 17 2.152 4.334 -9.778 1.00 62.24 H new ATOM 0 HB2 SER A 17 2.781 4.362 -7.323 1.00 44.44 H new ATOM 0 HB3 SER A 17 3.837 3.318 -8.255 1.00 44.44 H new ATOM 0 HG SER A 17 4.579 6.035 -7.894 1.00 24.11 H new ATOM 253 N ALA A 18 1.031 6.477 -9.252 1.00 0.45 N ATOM 254 CA ALA A 18 0.320 7.780 -9.164 1.00 4.23 C ATOM 255 C ALA A 18 -0.357 7.991 -7.781 1.00 51.43 C ATOM 256 O ALA A 18 0.019 8.893 -7.025 1.00 64.31 O ATOM 257 CB ALA A 18 -0.718 7.865 -10.300 1.00 64.24 C ATOM 0 H ALA A 18 0.411 5.682 -9.408 1.00 0.45 H new ATOM 0 HA ALA A 18 1.055 8.578 -9.273 1.00 4.23 H new ATOM 0 HB1 ALA A 18 -1.244 8.818 -10.242 1.00 64.24 H new ATOM 0 HB2 ALA A 18 -0.212 7.788 -11.262 1.00 64.24 H new ATOM 0 HB3 ALA A 18 -1.434 7.049 -10.200 1.00 64.24 H new ATOM 263 N ARG A 19 -1.360 7.148 -7.465 1.00 75.11 N ATOM 264 CA ARG A 19 -2.117 7.202 -6.179 1.00 3.20 C ATOM 265 C ARG A 19 -1.979 5.885 -5.389 1.00 73.41 C ATOM 266 O ARG A 19 -2.483 5.770 -4.264 1.00 53.11 O ATOM 267 CB ARG A 19 -3.617 7.454 -6.453 1.00 33.35 C ATOM 268 CG ARG A 19 -3.932 8.714 -7.287 1.00 61.34 C ATOM 269 CD ARG A 19 -5.426 8.777 -7.656 1.00 54.12 C ATOM 270 NE ARG A 19 -5.868 7.498 -8.254 1.00 5.13 N ATOM 271 CZ ARG A 19 -7.079 6.988 -8.189 1.00 1.34 C ATOM 272 NH1 ARG A 19 -8.046 7.617 -7.605 1.00 74.01 N ATOM 273 NH2 ARG A 19 -7.299 5.821 -8.697 1.00 63.12 N ATOM 0 H ARG A 19 -1.676 6.406 -8.089 1.00 75.11 H new ATOM 0 HA ARG A 19 -1.698 8.017 -5.589 1.00 3.20 H new ATOM 0 HB2 ARG A 19 -4.026 6.585 -6.969 1.00 33.35 H new ATOM 0 HB3 ARG A 19 -4.136 7.531 -5.498 1.00 33.35 H new ATOM 0 HG2 ARG A 19 -3.656 9.605 -6.723 1.00 61.34 H new ATOM 0 HG3 ARG A 19 -3.330 8.712 -8.196 1.00 61.34 H new ATOM 0 HD2 ARG A 19 -6.017 8.992 -6.766 1.00 54.12 H new ATOM 0 HD3 ARG A 19 -5.599 9.592 -8.359 1.00 54.12 H new ATOM 0 HE ARG A 19 -5.168 6.961 -8.765 1.00 5.13 H new ATOM 0 HH11 ARG A 19 -7.878 8.530 -7.182 1.00 74.01 H new ATOM 0 HH12 ARG A 19 -8.976 7.201 -7.568 1.00 74.01 H new ATOM 0 HH21 ARG A 19 -6.539 5.307 -9.142 1.00 63.12 H new ATOM 0 HH22 ARG A 19 -8.233 5.414 -8.654 1.00 63.12 H new ATOM 287 N ILE A 20 -1.345 4.880 -6.014 1.00 43.10 N ATOM 288 CA ILE A 20 -1.108 3.559 -5.411 1.00 11.24 C ATOM 289 C ILE A 20 0.379 3.207 -5.559 1.00 55.43 C ATOM 290 O ILE A 20 0.894 3.200 -6.678 1.00 51.21 O ATOM 291 CB ILE A 20 -1.985 2.423 -6.097 1.00 30.33 C ATOM 292 CG1 ILE A 20 -3.497 2.830 -6.147 1.00 12.54 C ATOM 293 CG2 ILE A 20 -1.799 1.059 -5.368 1.00 10.30 C ATOM 294 CD1 ILE A 20 -4.420 1.832 -6.834 1.00 42.34 C ATOM 0 H ILE A 20 -0.979 4.963 -6.962 1.00 43.10 H new ATOM 0 HA ILE A 20 -1.395 3.610 -4.361 1.00 11.24 H new ATOM 0 HB ILE A 20 -1.637 2.307 -7.123 1.00 30.33 H new ATOM 0 HG12 ILE A 20 -3.849 2.982 -5.127 1.00 12.54 H new ATOM 0 HG13 ILE A 20 -3.581 3.789 -6.659 1.00 12.54 H new ATOM 0 HG21 ILE A 20 -2.409 0.299 -5.856 1.00 10.30 H new ATOM 0 HG22 ILE A 20 -0.750 0.764 -5.410 1.00 10.30 H new ATOM 0 HG23 ILE A 20 -2.107 1.158 -4.327 1.00 10.30 H new ATOM 0 HD11 ILE A 20 -5.443 2.209 -6.814 1.00 42.34 H new ATOM 0 HD12 ILE A 20 -4.103 1.696 -7.868 1.00 42.34 H new ATOM 0 HD13 ILE A 20 -4.375 0.876 -6.312 1.00 42.34 H new ATOM 306 N GLU A 21 1.081 2.957 -4.439 1.00 11.13 N ATOM 307 CA GLU A 21 2.445 2.387 -4.481 1.00 34.24 C ATOM 308 C GLU A 21 2.393 0.876 -4.181 1.00 20.04 C ATOM 309 O GLU A 21 1.788 0.447 -3.188 1.00 51.12 O ATOM 310 CB GLU A 21 3.412 3.083 -3.482 1.00 51.24 C ATOM 311 CG GLU A 21 3.649 4.594 -3.729 1.00 24.01 C ATOM 312 CD GLU A 21 4.890 5.141 -2.982 1.00 3.44 C ATOM 313 OE1 GLU A 21 5.003 4.934 -1.757 1.00 4.13 O ATOM 314 OE2 GLU A 21 5.769 5.765 -3.618 1.00 74.12 O ATOM 0 H GLU A 21 0.731 3.138 -3.498 1.00 11.13 H new ATOM 0 HA GLU A 21 2.833 2.558 -5.485 1.00 34.24 H new ATOM 0 HB2 GLU A 21 3.019 2.954 -2.473 1.00 51.24 H new ATOM 0 HB3 GLU A 21 4.374 2.571 -3.517 1.00 51.24 H new ATOM 0 HG2 GLU A 21 3.770 4.767 -4.798 1.00 24.01 H new ATOM 0 HG3 GLU A 21 2.767 5.151 -3.413 1.00 24.01 H new ATOM 321 N ALA A 22 3.027 0.087 -5.060 1.00 41.42 N ATOM 322 CA ALA A 22 3.248 -1.351 -4.848 1.00 42.14 C ATOM 323 C ALA A 22 4.478 -1.543 -3.935 1.00 34.12 C ATOM 324 O ALA A 22 5.512 -0.895 -4.150 1.00 64.22 O ATOM 325 CB ALA A 22 3.463 -2.040 -6.201 1.00 55.54 C ATOM 0 H ALA A 22 3.403 0.431 -5.944 1.00 41.42 H new ATOM 0 HA ALA A 22 2.378 -1.798 -4.367 1.00 42.14 H new ATOM 0 HB1 ALA A 22 3.627 -3.106 -6.044 1.00 55.54 H new ATOM 0 HB2 ALA A 22 2.582 -1.896 -6.827 1.00 55.54 H new ATOM 0 HB3 ALA A 22 4.333 -1.608 -6.695 1.00 55.54 H new ATOM 331 N LYS A 23 4.374 -2.416 -2.915 1.00 11.31 N ATOM 332 CA LYS A 23 5.435 -2.594 -1.891 1.00 0.02 C ATOM 333 C LYS A 23 5.777 -4.086 -1.686 1.00 65.24 C ATOM 334 O LYS A 23 4.941 -4.973 -1.893 1.00 31.32 O ATOM 335 CB LYS A 23 4.973 -1.998 -0.529 1.00 33.13 C ATOM 336 CG LYS A 23 4.709 -0.470 -0.507 1.00 11.13 C ATOM 337 CD LYS A 23 5.992 0.364 -0.733 1.00 55.15 C ATOM 338 CE LYS A 23 5.779 1.870 -0.484 1.00 45.20 C ATOM 339 NZ LYS A 23 7.050 2.632 -0.580 1.00 13.33 N ATOM 0 H LYS A 23 3.561 -3.016 -2.773 1.00 11.31 H new ATOM 0 HA LYS A 23 6.323 -2.073 -2.249 1.00 0.02 H new ATOM 0 HB2 LYS A 23 4.060 -2.508 -0.223 1.00 33.13 H new ATOM 0 HB3 LYS A 23 5.731 -2.226 0.220 1.00 33.13 H new ATOM 0 HG2 LYS A 23 3.979 -0.221 -1.277 1.00 11.13 H new ATOM 0 HG3 LYS A 23 4.267 -0.196 0.451 1.00 11.13 H new ATOM 0 HD2 LYS A 23 6.778 -0.001 -0.072 1.00 55.15 H new ATOM 0 HD3 LYS A 23 6.341 0.215 -1.755 1.00 55.15 H new ATOM 0 HE2 LYS A 23 5.066 2.261 -1.210 1.00 45.20 H new ATOM 0 HE3 LYS A 23 5.342 2.016 0.504 1.00 45.20 H new ATOM 0 HZ1 LYS A 23 6.898 3.604 -0.243 1.00 13.33 H new ATOM 0 HZ2 LYS A 23 7.776 2.172 0.006 1.00 13.33 H new ATOM 0 HZ3 LYS A 23 7.367 2.655 -1.570 1.00 13.33 H new ATOM 353 N ARG A 24 7.034 -4.330 -1.297 1.00 21.45 N ATOM 354 CA ARG A 24 7.490 -5.616 -0.734 1.00 41.30 C ATOM 355 C ARG A 24 7.520 -5.543 0.818 1.00 12.52 C ATOM 356 O ARG A 24 7.550 -4.449 1.405 1.00 11.25 O ATOM 357 CB ARG A 24 8.900 -5.974 -1.287 1.00 12.25 C ATOM 358 CG ARG A 24 8.944 -6.302 -2.800 1.00 4.12 C ATOM 359 CD ARG A 24 8.196 -7.608 -3.154 1.00 40.34 C ATOM 360 NE ARG A 24 8.691 -8.776 -2.394 1.00 72.02 N ATOM 361 CZ ARG A 24 8.999 -9.958 -2.893 1.00 45.33 C ATOM 362 NH1 ARG A 24 8.975 -10.191 -4.172 1.00 1.02 N ATOM 363 NH2 ARG A 24 9.356 -10.905 -2.092 1.00 10.24 N ATOM 0 H ARG A 24 7.776 -3.634 -1.363 1.00 21.45 H new ATOM 0 HA ARG A 24 6.790 -6.397 -1.031 1.00 41.30 H new ATOM 0 HB2 ARG A 24 9.573 -5.140 -1.091 1.00 12.25 H new ATOM 0 HB3 ARG A 24 9.285 -6.830 -0.733 1.00 12.25 H new ATOM 0 HG2 ARG A 24 8.506 -5.475 -3.359 1.00 4.12 H new ATOM 0 HG3 ARG A 24 9.983 -6.387 -3.118 1.00 4.12 H new ATOM 0 HD2 ARG A 24 7.132 -7.477 -2.957 1.00 40.34 H new ATOM 0 HD3 ARG A 24 8.301 -7.804 -4.221 1.00 40.34 H new ATOM 0 HE ARG A 24 8.805 -8.656 -1.388 1.00 72.02 H new ATOM 0 HH11 ARG A 24 8.713 -9.449 -4.821 1.00 1.02 H new ATOM 0 HH12 ARG A 24 9.219 -11.116 -4.527 1.00 1.02 H new ATOM 0 HH21 ARG A 24 9.397 -10.735 -1.087 1.00 10.24 H new ATOM 0 HH22 ARG A 24 9.597 -11.824 -2.464 1.00 10.24 H new ATOM 377 N ALA A 25 7.499 -6.725 1.467 1.00 33.44 N ATOM 378 CA ALA A 25 7.644 -6.858 2.943 1.00 74.23 C ATOM 379 C ALA A 25 8.975 -6.244 3.463 1.00 44.13 C ATOM 380 O ALA A 25 9.060 -5.799 4.614 1.00 73.44 O ATOM 381 CB ALA A 25 7.536 -8.340 3.342 1.00 50.00 C ATOM 0 H ALA A 25 7.381 -7.618 0.988 1.00 33.44 H new ATOM 0 HA ALA A 25 6.836 -6.295 3.410 1.00 74.23 H new ATOM 0 HB1 ALA A 25 7.642 -8.435 4.423 1.00 50.00 H new ATOM 0 HB2 ALA A 25 6.564 -8.729 3.038 1.00 50.00 H new ATOM 0 HB3 ALA A 25 8.325 -8.908 2.849 1.00 50.00 H new ATOM 387 N SER A 26 10.009 -6.260 2.602 1.00 1.10 N ATOM 388 CA SER A 26 11.318 -5.612 2.867 1.00 24.00 C ATOM 389 C SER A 26 11.202 -4.077 3.100 1.00 51.24 C ATOM 390 O SER A 26 11.931 -3.514 3.923 1.00 64.13 O ATOM 391 CB SER A 26 12.275 -5.892 1.687 1.00 30.11 C ATOM 392 OG SER A 26 11.762 -5.369 0.468 1.00 73.24 O ATOM 0 H SER A 26 9.965 -6.725 1.695 1.00 1.10 H new ATOM 0 HA SER A 26 11.710 -6.040 3.789 1.00 24.00 H new ATOM 0 HB2 SER A 26 13.249 -5.449 1.894 1.00 30.11 H new ATOM 0 HB3 SER A 26 12.428 -6.967 1.588 1.00 30.11 H new ATOM 0 HG SER A 26 12.390 -5.560 -0.260 1.00 73.24 H new ATOM 398 N ASP A 27 10.286 -3.411 2.368 1.00 10.22 N ATOM 399 CA ASP A 27 10.075 -1.940 2.471 1.00 30.24 C ATOM 400 C ASP A 27 9.093 -1.568 3.622 1.00 20.01 C ATOM 401 O ASP A 27 8.976 -0.386 3.975 1.00 55.33 O ATOM 402 CB ASP A 27 9.560 -1.384 1.111 1.00 13.12 C ATOM 403 CG ASP A 27 9.682 0.156 0.987 1.00 40.20 C ATOM 404 OD1 ASP A 27 10.789 0.648 0.667 1.00 74.13 O ATOM 405 OD2 ASP A 27 8.684 0.877 1.216 1.00 25.22 O ATOM 0 H ASP A 27 9.673 -3.867 1.692 1.00 10.22 H new ATOM 0 HA ASP A 27 11.035 -1.481 2.710 1.00 30.24 H new ATOM 0 HB2 ASP A 27 10.120 -1.851 0.301 1.00 13.12 H new ATOM 0 HB3 ASP A 27 8.516 -1.669 0.983 1.00 13.12 H new ATOM 410 N MET A 28 8.405 -2.581 4.213 1.00 50.21 N ATOM 411 CA MET A 28 7.395 -2.356 5.283 1.00 2.42 C ATOM 412 C MET A 28 8.028 -1.646 6.516 1.00 12.21 C ATOM 413 O MET A 28 8.766 -2.257 7.297 1.00 51.13 O ATOM 414 CB MET A 28 6.731 -3.696 5.711 1.00 44.13 C ATOM 415 CG MET A 28 5.643 -3.553 6.791 1.00 22.52 C ATOM 416 SD MET A 28 5.005 -5.143 7.361 1.00 33.24 S ATOM 417 CE MET A 28 3.926 -4.639 8.705 1.00 5.31 C ATOM 0 H MET A 28 8.532 -3.563 3.966 1.00 50.21 H new ATOM 0 HA MET A 28 6.623 -1.703 4.875 1.00 2.42 H new ATOM 0 HB2 MET A 28 6.292 -4.167 4.831 1.00 44.13 H new ATOM 0 HB3 MET A 28 7.505 -4.369 6.080 1.00 44.13 H new ATOM 0 HG2 MET A 28 6.051 -3.005 7.640 1.00 22.52 H new ATOM 0 HG3 MET A 28 4.820 -2.958 6.394 1.00 22.52 H new ATOM 0 HE1 MET A 28 4.051 -5.320 9.547 1.00 5.31 H new ATOM 0 HE2 MET A 28 4.181 -3.626 9.016 1.00 5.31 H new ATOM 0 HE3 MET A 28 2.890 -4.665 8.369 1.00 5.31 H new ATOM 427 N GLY A 29 7.739 -0.345 6.648 1.00 31.24 N ATOM 428 CA GLY A 29 8.291 0.499 7.711 1.00 52.54 C ATOM 429 C GLY A 29 7.968 1.971 7.472 1.00 61.43 C ATOM 430 O GLY A 29 6.959 2.275 6.833 1.00 41.35 O ATOM 0 H GLY A 29 7.112 0.153 6.016 1.00 31.24 H new ATOM 0 HA2 GLY A 29 7.886 0.187 8.674 1.00 52.54 H new ATOM 0 HA3 GLY A 29 9.372 0.365 7.761 1.00 52.54 H new ATOM 434 N LYS A 30 8.849 2.880 7.942 1.00 5.14 N ATOM 435 CA LYS A 30 8.628 4.355 7.871 1.00 51.21 C ATOM 436 C LYS A 30 8.369 4.890 6.435 1.00 51.52 C ATOM 437 O LYS A 30 7.707 5.916 6.284 1.00 33.42 O ATOM 438 CB LYS A 30 9.805 5.153 8.514 1.00 23.55 C ATOM 439 CG LYS A 30 11.209 4.935 7.870 1.00 53.32 C ATOM 440 CD LYS A 30 11.995 3.749 8.486 1.00 20.53 C ATOM 441 CE LYS A 30 12.441 4.015 9.940 1.00 63.22 C ATOM 442 NZ LYS A 30 13.316 5.219 10.055 1.00 11.03 N ATOM 0 H LYS A 30 9.733 2.621 8.381 1.00 5.14 H new ATOM 0 HA LYS A 30 7.717 4.519 8.446 1.00 51.21 H new ATOM 0 HB2 LYS A 30 9.566 6.216 8.467 1.00 23.55 H new ATOM 0 HB3 LYS A 30 9.865 4.886 9.569 1.00 23.55 H new ATOM 0 HG2 LYS A 30 11.087 4.763 6.801 1.00 53.32 H new ATOM 0 HG3 LYS A 30 11.796 5.846 7.981 1.00 53.32 H new ATOM 0 HD2 LYS A 30 11.373 2.855 8.460 1.00 20.53 H new ATOM 0 HD3 LYS A 30 12.873 3.544 7.874 1.00 20.53 H new ATOM 0 HE2 LYS A 30 11.561 4.148 10.569 1.00 63.22 H new ATOM 0 HE3 LYS A 30 12.975 3.143 10.319 1.00 63.22 H new ATOM 0 HZ1 LYS A 30 13.752 5.242 10.999 1.00 11.03 H new ATOM 0 HZ2 LYS A 30 14.061 5.177 9.330 1.00 11.03 H new ATOM 0 HZ3 LYS A 30 12.745 6.077 9.916 1.00 11.03 H new ATOM 456 N SER A 31 8.893 4.196 5.400 1.00 20.45 N ATOM 457 CA SER A 31 8.657 4.565 3.973 1.00 13.35 C ATOM 458 C SER A 31 7.166 4.398 3.589 1.00 1.01 C ATOM 459 O SER A 31 6.583 5.257 2.922 1.00 63.20 O ATOM 460 CB SER A 31 9.537 3.708 3.031 1.00 2.15 C ATOM 461 OG SER A 31 10.922 3.864 3.310 1.00 32.12 O ATOM 0 H SER A 31 9.485 3.374 5.520 1.00 20.45 H new ATOM 0 HA SER A 31 8.930 5.614 3.858 1.00 13.35 H new ATOM 0 HB2 SER A 31 9.262 2.658 3.133 1.00 2.15 H new ATOM 0 HB3 SER A 31 9.341 3.989 1.996 1.00 2.15 H new ATOM 0 HG SER A 31 11.444 3.306 2.696 1.00 32.12 H new ATOM 467 N VAL A 32 6.571 3.276 4.030 1.00 53.20 N ATOM 468 CA VAL A 32 5.131 2.975 3.838 1.00 11.35 C ATOM 469 C VAL A 32 4.250 3.909 4.717 1.00 21.43 C ATOM 470 O VAL A 32 3.246 4.453 4.247 1.00 15.12 O ATOM 471 CB VAL A 32 4.835 1.457 4.174 1.00 1.15 C ATOM 472 CG1 VAL A 32 3.338 1.097 3.978 1.00 74.11 C ATOM 473 CG2 VAL A 32 5.744 0.517 3.339 1.00 43.35 C ATOM 0 H VAL A 32 7.074 2.545 4.533 1.00 53.20 H new ATOM 0 HA VAL A 32 4.880 3.155 2.793 1.00 11.35 H new ATOM 0 HB VAL A 32 5.066 1.311 5.229 1.00 1.15 H new ATOM 0 HG11 VAL A 32 3.182 0.046 4.220 1.00 74.11 H new ATOM 0 HG12 VAL A 32 2.726 1.715 4.635 1.00 74.11 H new ATOM 0 HG13 VAL A 32 3.053 1.277 2.941 1.00 74.11 H new ATOM 0 HG21 VAL A 32 5.521 -0.520 3.588 1.00 43.35 H new ATOM 0 HG22 VAL A 32 5.561 0.682 2.277 1.00 43.35 H new ATOM 0 HG23 VAL A 32 6.790 0.728 3.564 1.00 43.35 H new ATOM 483 N MET A 33 4.684 4.108 5.980 1.00 71.14 N ATOM 484 CA MET A 33 3.967 4.945 6.980 1.00 71.11 C ATOM 485 C MET A 33 3.911 6.435 6.558 1.00 15.21 C ATOM 486 O MET A 33 2.937 7.133 6.850 1.00 60.05 O ATOM 487 CB MET A 33 4.625 4.815 8.383 1.00 64.51 C ATOM 488 CG MET A 33 4.768 3.368 8.891 1.00 70.43 C ATOM 489 SD MET A 33 3.228 2.431 8.814 1.00 53.15 S ATOM 490 CE MET A 33 2.205 3.312 9.987 1.00 3.44 C ATOM 0 H MET A 33 5.543 3.694 6.341 1.00 71.14 H new ATOM 0 HA MET A 33 2.944 4.573 7.030 1.00 71.11 H new ATOM 0 HB2 MET A 33 5.613 5.274 8.351 1.00 64.51 H new ATOM 0 HB3 MET A 33 4.033 5.382 9.102 1.00 64.51 H new ATOM 0 HG2 MET A 33 5.527 2.856 8.300 1.00 70.43 H new ATOM 0 HG3 MET A 33 5.124 3.385 9.921 1.00 70.43 H new ATOM 0 HE1 MET A 33 1.263 2.780 10.120 1.00 3.44 H new ATOM 0 HE2 MET A 33 2.723 3.378 10.944 1.00 3.44 H new ATOM 0 HE3 MET A 33 2.005 4.316 9.613 1.00 3.44 H new ATOM 500 N GLU A 34 4.969 6.896 5.871 1.00 1.23 N ATOM 501 CA GLU A 34 5.043 8.267 5.323 1.00 75.43 C ATOM 502 C GLU A 34 4.033 8.455 4.164 1.00 15.13 C ATOM 503 O GLU A 34 3.431 9.520 4.009 1.00 13.40 O ATOM 504 CB GLU A 34 6.488 8.556 4.841 1.00 73.22 C ATOM 505 CG GLU A 34 6.757 10.007 4.386 1.00 23.32 C ATOM 506 CD GLU A 34 6.532 11.048 5.503 1.00 45.11 C ATOM 507 OE1 GLU A 34 7.345 11.097 6.451 1.00 2.25 O ATOM 508 OE2 GLU A 34 5.545 11.818 5.441 1.00 22.33 O ATOM 0 H GLU A 34 5.797 6.333 5.678 1.00 1.23 H new ATOM 0 HA GLU A 34 4.781 8.975 6.109 1.00 75.43 H new ATOM 0 HB2 GLU A 34 7.178 8.313 5.649 1.00 73.22 H new ATOM 0 HB3 GLU A 34 6.718 7.885 4.013 1.00 73.22 H new ATOM 0 HG2 GLU A 34 7.784 10.084 4.028 1.00 23.32 H new ATOM 0 HG3 GLU A 34 6.107 10.243 3.543 1.00 23.32 H new ATOM 515 N THR A 35 3.851 7.396 3.356 1.00 43.33 N ATOM 516 CA THR A 35 2.875 7.397 2.242 1.00 43.35 C ATOM 517 C THR A 35 1.414 7.369 2.783 1.00 12.33 C ATOM 518 O THR A 35 0.494 7.896 2.148 1.00 0.43 O ATOM 519 CB THR A 35 3.109 6.188 1.273 1.00 13.11 C ATOM 520 OG1 THR A 35 4.516 5.977 1.080 1.00 2.40 O ATOM 521 CG2 THR A 35 2.460 6.424 -0.101 1.00 72.14 C ATOM 0 H THR A 35 4.368 6.522 3.451 1.00 43.33 H new ATOM 0 HA THR A 35 3.026 8.319 1.681 1.00 43.35 H new ATOM 0 HB THR A 35 2.650 5.313 1.733 1.00 13.11 H new ATOM 0 HG1 THR A 35 4.672 5.612 0.184 1.00 2.40 H new ATOM 0 HG21 THR A 35 2.645 5.563 -0.743 1.00 72.14 H new ATOM 0 HG22 THR A 35 1.386 6.560 0.023 1.00 72.14 H new ATOM 0 HG23 THR A 35 2.889 7.316 -0.557 1.00 72.14 H new ATOM 529 N VAL A 36 1.225 6.746 3.971 1.00 74.33 N ATOM 530 CA VAL A 36 -0.051 6.797 4.730 1.00 13.13 C ATOM 531 C VAL A 36 -0.350 8.258 5.179 1.00 43.22 C ATOM 532 O VAL A 36 -1.498 8.711 5.143 1.00 23.05 O ATOM 533 CB VAL A 36 -0.027 5.822 5.981 1.00 30.23 C ATOM 534 CG1 VAL A 36 -1.337 5.893 6.805 1.00 43.11 C ATOM 535 CG2 VAL A 36 0.255 4.359 5.549 1.00 63.34 C ATOM 0 H VAL A 36 1.950 6.195 4.430 1.00 74.33 H new ATOM 0 HA VAL A 36 -0.848 6.459 4.068 1.00 13.13 H new ATOM 0 HB VAL A 36 0.787 6.161 6.622 1.00 30.23 H new ATOM 0 HG11 VAL A 36 -1.273 5.208 7.650 1.00 43.11 H new ATOM 0 HG12 VAL A 36 -1.482 6.909 7.171 1.00 43.11 H new ATOM 0 HG13 VAL A 36 -2.180 5.612 6.174 1.00 43.11 H new ATOM 0 HG21 VAL A 36 0.265 3.715 6.429 1.00 63.34 H new ATOM 0 HG22 VAL A 36 -0.524 4.025 4.864 1.00 63.34 H new ATOM 0 HG23 VAL A 36 1.223 4.307 5.050 1.00 63.34 H new ATOM 545 N ILE A 37 0.704 8.998 5.577 1.00 64.30 N ATOM 546 CA ILE A 37 0.591 10.451 5.876 1.00 12.24 C ATOM 547 C ILE A 37 0.198 11.251 4.601 1.00 25.20 C ATOM 548 O ILE A 37 -0.581 12.199 4.675 1.00 24.12 O ATOM 549 CB ILE A 37 1.931 11.043 6.465 1.00 33.41 C ATOM 550 CG1 ILE A 37 2.380 10.264 7.742 1.00 53.12 C ATOM 551 CG2 ILE A 37 1.792 12.560 6.765 1.00 61.34 C ATOM 552 CD1 ILE A 37 3.710 10.723 8.333 1.00 24.20 C ATOM 0 H ILE A 37 1.643 8.620 5.700 1.00 64.30 H new ATOM 0 HA ILE A 37 -0.190 10.553 6.629 1.00 12.24 H new ATOM 0 HB ILE A 37 2.704 10.920 5.707 1.00 33.41 H new ATOM 0 HG12 ILE A 37 1.606 10.364 8.503 1.00 53.12 H new ATOM 0 HG13 ILE A 37 2.453 9.204 7.498 1.00 53.12 H new ATOM 0 HG21 ILE A 37 2.731 12.938 7.169 1.00 61.34 H new ATOM 0 HG22 ILE A 37 1.553 13.092 5.845 1.00 61.34 H new ATOM 0 HG23 ILE A 37 0.995 12.716 7.492 1.00 61.34 H new ATOM 0 HD11 ILE A 37 3.941 10.127 9.216 1.00 24.20 H new ATOM 0 HD12 ILE A 37 4.500 10.597 7.593 1.00 24.20 H new ATOM 0 HD13 ILE A 37 3.640 11.774 8.613 1.00 24.20 H new ATOM 564 N ALA A 38 0.719 10.835 3.432 1.00 60.04 N ATOM 565 CA ALA A 38 0.465 11.537 2.152 1.00 24.22 C ATOM 566 C ALA A 38 -1.035 11.456 1.755 1.00 44.33 C ATOM 567 O ALA A 38 -1.720 12.473 1.659 1.00 50.12 O ATOM 568 CB ALA A 38 1.359 10.949 1.044 1.00 45.14 C ATOM 0 H ALA A 38 1.320 10.015 3.343 1.00 60.04 H new ATOM 0 HA ALA A 38 0.713 12.591 2.281 1.00 24.22 H new ATOM 0 HB1 ALA A 38 1.166 11.470 0.106 1.00 45.14 H new ATOM 0 HB2 ALA A 38 2.407 11.071 1.319 1.00 45.14 H new ATOM 0 HB3 ALA A 38 1.137 9.889 0.922 1.00 45.14 H new ATOM 574 N PHE A 39 -1.546 10.223 1.624 1.00 35.22 N ATOM 575 CA PHE A 39 -2.920 9.958 1.126 1.00 63.20 C ATOM 576 C PHE A 39 -4.037 10.446 2.098 1.00 73.34 C ATOM 577 O PHE A 39 -5.189 10.633 1.680 1.00 50.41 O ATOM 578 CB PHE A 39 -3.080 8.443 0.832 1.00 25.23 C ATOM 579 CG PHE A 39 -2.118 7.853 -0.212 1.00 73.22 C ATOM 580 CD1 PHE A 39 -1.520 8.645 -1.199 1.00 50.20 C ATOM 581 CD2 PHE A 39 -1.828 6.488 -0.213 1.00 41.11 C ATOM 582 CE1 PHE A 39 -0.675 8.094 -2.144 1.00 71.53 C ATOM 583 CE2 PHE A 39 -0.987 5.943 -1.161 1.00 15.42 C ATOM 584 CZ PHE A 39 -0.409 6.744 -2.124 1.00 42.22 C ATOM 0 H PHE A 39 -1.026 9.377 1.858 1.00 35.22 H new ATOM 0 HA PHE A 39 -3.046 10.535 0.210 1.00 63.20 H new ATOM 0 HB2 PHE A 39 -2.950 7.896 1.766 1.00 25.23 H new ATOM 0 HB3 PHE A 39 -4.102 8.264 0.497 1.00 25.23 H new ATOM 0 HD1 PHE A 39 -1.722 9.706 -1.223 1.00 50.20 H new ATOM 0 HD2 PHE A 39 -2.268 5.849 0.539 1.00 41.11 H new ATOM 0 HE1 PHE A 39 -0.224 8.723 -2.898 1.00 71.53 H new ATOM 0 HE2 PHE A 39 -0.780 4.883 -1.149 1.00 15.42 H new ATOM 0 HZ PHE A 39 0.251 6.312 -2.861 1.00 42.22 H new ATOM 594 N ALA A 40 -3.687 10.628 3.387 1.00 30.41 N ATOM 595 CA ALA A 40 -4.623 11.135 4.423 1.00 72.32 C ATOM 596 C ALA A 40 -4.667 12.685 4.502 1.00 12.34 C ATOM 597 O ALA A 40 -5.710 13.268 4.821 1.00 5.53 O ATOM 598 CB ALA A 40 -4.237 10.559 5.791 1.00 45.21 C ATOM 0 H ALA A 40 -2.752 10.430 3.743 1.00 30.41 H new ATOM 0 HA ALA A 40 -5.622 10.806 4.136 1.00 72.32 H new ATOM 0 HB1 ALA A 40 -4.925 10.932 6.550 1.00 45.21 H new ATOM 0 HB2 ALA A 40 -4.291 9.471 5.756 1.00 45.21 H new ATOM 0 HB3 ALA A 40 -3.221 10.864 6.041 1.00 45.21 H new ATOM 604 N ASN A 41 -3.521 13.347 4.241 1.00 61.31 N ATOM 605 CA ASN A 41 -3.356 14.810 4.481 1.00 15.42 C ATOM 606 C ASN A 41 -3.476 15.668 3.202 1.00 63.42 C ATOM 607 O ASN A 41 -3.858 16.840 3.294 1.00 61.04 O ATOM 608 CB ASN A 41 -2.002 15.079 5.187 1.00 3.51 C ATOM 609 CG ASN A 41 -2.004 14.609 6.643 1.00 43.22 C ATOM 610 OD1 ASN A 41 -2.148 15.396 7.563 1.00 12.14 O ATOM 611 ND2 ASN A 41 -1.923 13.314 6.859 1.00 4.31 N ATOM 0 H ASN A 41 -2.688 12.896 3.862 1.00 61.31 H new ATOM 0 HA ASN A 41 -4.182 15.114 5.124 1.00 15.42 H new ATOM 0 HB2 ASN A 41 -1.205 14.571 4.645 1.00 3.51 H new ATOM 0 HB3 ASN A 41 -1.782 16.146 5.152 1.00 3.51 H new ATOM 0 HD21 ASN A 41 -1.981 12.951 7.811 1.00 4.31 H new ATOM 0 HD22 ASN A 41 -1.803 12.673 6.075 1.00 4.31 H new ATOM 618 N GLU A 42 -3.142 15.103 2.026 1.00 61.21 N ATOM 619 CA GLU A 42 -3.158 15.858 0.745 1.00 4.15 C ATOM 620 C GLU A 42 -4.593 15.949 0.147 1.00 42.52 C ATOM 621 O GLU A 42 -5.185 14.913 -0.203 1.00 11.10 O ATOM 622 CB GLU A 42 -2.182 15.216 -0.290 1.00 72.13 C ATOM 623 CG GLU A 42 -0.736 15.071 0.226 1.00 2.51 C ATOM 624 CD GLU A 42 0.269 14.594 -0.838 1.00 33.45 C ATOM 625 OE1 GLU A 42 0.266 13.392 -1.181 1.00 34.21 O ATOM 626 OE2 GLU A 42 1.085 15.419 -1.315 1.00 15.54 O ATOM 0 H GLU A 42 -2.857 14.128 1.930 1.00 61.21 H new ATOM 0 HA GLU A 42 -2.822 16.872 0.964 1.00 4.15 H new ATOM 0 HB2 GLU A 42 -2.559 14.232 -0.569 1.00 72.13 H new ATOM 0 HB3 GLU A 42 -2.176 15.823 -1.195 1.00 72.13 H new ATOM 0 HG2 GLU A 42 -0.404 16.032 0.618 1.00 2.51 H new ATOM 0 HG3 GLU A 42 -0.728 14.367 1.058 1.00 2.51 H new ATOM 633 N PRO A 43 -5.189 17.194 0.040 1.00 5.14 N ATOM 634 CA PRO A 43 -6.458 17.412 -0.710 1.00 33.11 C ATOM 635 C PRO A 43 -6.291 17.113 -2.224 1.00 40.31 C ATOM 636 O PRO A 43 -5.162 17.113 -2.748 1.00 54.21 O ATOM 637 CB PRO A 43 -6.780 18.921 -0.466 1.00 32.04 C ATOM 638 CG PRO A 43 -5.962 19.295 0.735 1.00 74.43 C ATOM 639 CD PRO A 43 -4.702 18.465 0.643 1.00 75.55 C ATOM 0 HA PRO A 43 -7.255 16.748 -0.376 1.00 33.11 H new ATOM 0 HB2 PRO A 43 -6.513 19.528 -1.331 1.00 32.04 H new ATOM 0 HB3 PRO A 43 -7.844 19.075 -0.284 1.00 32.04 H new ATOM 0 HG2 PRO A 43 -5.731 20.360 0.735 1.00 74.43 H new ATOM 0 HG3 PRO A 43 -6.503 19.086 1.658 1.00 74.43 H new ATOM 0 HD2 PRO A 43 -3.946 18.944 0.021 1.00 75.55 H new ATOM 0 HD3 PRO A 43 -4.252 18.302 1.622 1.00 75.55 H new ATOM 647 N GLY A 44 -7.408 16.873 -2.933 1.00 13.43 N ATOM 648 CA GLY A 44 -7.366 16.516 -4.360 1.00 21.51 C ATOM 649 C GLY A 44 -7.184 15.019 -4.623 1.00 51.22 C ATOM 650 O GLY A 44 -7.834 14.466 -5.518 1.00 75.31 O ATOM 0 H GLY A 44 -8.349 16.920 -2.541 1.00 13.43 H new ATOM 0 HA2 GLY A 44 -8.290 16.848 -4.834 1.00 21.51 H new ATOM 0 HA3 GLY A 44 -6.550 17.060 -4.836 1.00 21.51 H new ATOM 654 N LEU A 45 -6.306 14.336 -3.845 1.00 40.55 N ATOM 655 CA LEU A 45 -6.092 12.871 -3.940 1.00 11.51 C ATOM 656 C LEU A 45 -6.974 12.119 -2.907 1.00 33.50 C ATOM 657 O LEU A 45 -7.417 11.003 -3.199 1.00 34.25 O ATOM 658 CB LEU A 45 -4.562 12.590 -3.734 1.00 51.05 C ATOM 659 CG LEU A 45 -4.046 11.101 -3.851 1.00 11.52 C ATOM 660 CD1 LEU A 45 -2.549 11.058 -4.253 1.00 35.01 C ATOM 661 CD2 LEU A 45 -4.240 10.323 -2.527 1.00 21.43 C ATOM 0 H LEU A 45 -5.728 14.786 -3.135 1.00 40.55 H new ATOM 0 HA LEU A 45 -6.391 12.502 -4.921 1.00 11.51 H new ATOM 0 HB2 LEU A 45 -4.014 13.189 -4.462 1.00 51.05 H new ATOM 0 HB3 LEU A 45 -4.287 12.959 -2.746 1.00 51.05 H new ATOM 0 HG LEU A 45 -4.642 10.623 -4.629 1.00 11.52 H new ATOM 0 HD11 LEU A 45 -2.221 10.021 -4.326 1.00 35.01 H new ATOM 0 HD12 LEU A 45 -2.417 11.549 -5.217 1.00 35.01 H new ATOM 0 HD13 LEU A 45 -1.955 11.574 -3.499 1.00 35.01 H new ATOM 0 HD21 LEU A 45 -3.873 9.304 -2.647 1.00 21.43 H new ATOM 0 HD22 LEU A 45 -3.684 10.817 -1.730 1.00 21.43 H new ATOM 0 HD23 LEU A 45 -5.299 10.300 -2.270 1.00 21.43 H new ATOM 673 N ASP A 46 -7.178 12.758 -1.713 1.00 24.20 N ATOM 674 CA ASP A 46 -7.972 12.274 -0.542 1.00 75.05 C ATOM 675 C ASP A 46 -8.596 10.845 -0.671 1.00 74.23 C ATOM 676 O ASP A 46 -9.695 10.668 -1.210 1.00 52.53 O ATOM 677 CB ASP A 46 -9.042 13.348 -0.179 1.00 1.43 C ATOM 678 CG ASP A 46 -9.991 13.725 -1.334 1.00 4.41 C ATOM 679 OD1 ASP A 46 -9.559 14.434 -2.269 1.00 24.21 O ATOM 680 OD2 ASP A 46 -11.168 13.309 -1.322 1.00 22.43 O ATOM 0 H ASP A 46 -6.769 13.675 -1.535 1.00 24.20 H new ATOM 0 HA ASP A 46 -7.259 12.146 0.272 1.00 75.05 H new ATOM 0 HB2 ASP A 46 -9.637 12.981 0.657 1.00 1.43 H new ATOM 0 HB3 ASP A 46 -8.532 14.248 0.163 1.00 1.43 H new ATOM 685 N GLY A 47 -7.854 9.825 -0.201 1.00 33.21 N ATOM 686 CA GLY A 47 -8.283 8.421 -0.313 1.00 33.31 C ATOM 687 C GLY A 47 -7.485 7.620 -1.354 1.00 33.31 C ATOM 688 O GLY A 47 -8.053 7.098 -2.324 1.00 43.25 O ATOM 0 H GLY A 47 -6.953 9.949 0.261 1.00 33.21 H new ATOM 0 HA2 GLY A 47 -8.183 7.940 0.660 1.00 33.31 H new ATOM 0 HA3 GLY A 47 -9.340 8.392 -0.576 1.00 33.31 H new ATOM 692 N GLY A 48 -6.155 7.539 -1.156 1.00 11.13 N ATOM 693 CA GLY A 48 -5.279 6.689 -1.989 1.00 60.30 C ATOM 694 C GLY A 48 -5.160 5.253 -1.461 1.00 34.33 C ATOM 695 O GLY A 48 -5.666 4.940 -0.383 1.00 44.42 O ATOM 0 H GLY A 48 -5.662 8.052 -0.425 1.00 11.13 H new ATOM 0 HA2 GLY A 48 -5.667 6.665 -3.007 1.00 60.30 H new ATOM 0 HA3 GLY A 48 -4.286 7.136 -2.037 1.00 60.30 H new ATOM 699 N TYR A 49 -4.493 4.368 -2.225 1.00 30.50 N ATOM 700 CA TYR A 49 -4.276 2.951 -1.820 1.00 52.00 C ATOM 701 C TYR A 49 -2.770 2.596 -1.743 1.00 23.53 C ATOM 702 O TYR A 49 -1.934 3.216 -2.388 1.00 54.24 O ATOM 703 CB TYR A 49 -4.973 1.978 -2.811 1.00 21.11 C ATOM 704 CG TYR A 49 -6.514 2.049 -2.840 1.00 33.55 C ATOM 705 CD1 TYR A 49 -7.179 3.044 -3.563 1.00 44.32 C ATOM 706 CD2 TYR A 49 -7.298 1.110 -2.158 1.00 60.32 C ATOM 707 CE1 TYR A 49 -8.564 3.097 -3.604 1.00 74.14 C ATOM 708 CE2 TYR A 49 -8.678 1.158 -2.202 1.00 74.14 C ATOM 709 CZ TYR A 49 -9.308 2.151 -2.924 1.00 45.42 C ATOM 710 OH TYR A 49 -10.688 2.202 -2.959 1.00 4.44 O ATOM 0 H TYR A 49 -4.090 4.603 -3.132 1.00 30.50 H new ATOM 0 HA TYR A 49 -4.712 2.840 -0.827 1.00 52.00 H new ATOM 0 HB2 TYR A 49 -4.599 2.180 -3.815 1.00 21.11 H new ATOM 0 HB3 TYR A 49 -4.678 0.959 -2.560 1.00 21.11 H new ATOM 0 HD1 TYR A 49 -6.604 3.784 -4.099 1.00 44.32 H new ATOM 0 HD2 TYR A 49 -6.814 0.332 -1.586 1.00 60.32 H new ATOM 0 HE1 TYR A 49 -9.060 3.875 -4.165 1.00 74.14 H new ATOM 0 HE2 TYR A 49 -9.262 0.420 -1.673 1.00 74.14 H new ATOM 0 HH TYR A 49 -11.056 1.464 -2.430 1.00 4.44 H new ATOM 720 N LEU A 50 -2.457 1.576 -0.937 1.00 42.11 N ATOM 721 CA LEU A 50 -1.121 0.948 -0.857 1.00 31.24 C ATOM 722 C LEU A 50 -1.283 -0.569 -1.022 1.00 1.04 C ATOM 723 O LEU A 50 -1.957 -1.213 -0.211 1.00 3.32 O ATOM 724 CB LEU A 50 -0.433 1.284 0.499 1.00 0.31 C ATOM 725 CG LEU A 50 0.124 2.734 0.622 1.00 4.42 C ATOM 726 CD1 LEU A 50 0.621 3.035 2.050 1.00 73.43 C ATOM 727 CD2 LEU A 50 1.240 2.969 -0.423 1.00 55.03 C ATOM 0 H LEU A 50 -3.136 1.150 -0.306 1.00 42.11 H new ATOM 0 HA LEU A 50 -0.485 1.338 -1.652 1.00 31.24 H new ATOM 0 HB2 LEU A 50 -1.151 1.119 1.302 1.00 0.31 H new ATOM 0 HB3 LEU A 50 0.387 0.583 0.655 1.00 0.31 H new ATOM 0 HG LEU A 50 -0.692 3.427 0.418 1.00 4.42 H new ATOM 0 HD11 LEU A 50 1.002 4.055 2.095 1.00 73.43 H new ATOM 0 HD12 LEU A 50 -0.204 2.924 2.753 1.00 73.43 H new ATOM 0 HD13 LEU A 50 1.417 2.339 2.312 1.00 73.43 H new ATOM 0 HD21 LEU A 50 1.621 3.986 -0.326 1.00 55.03 H new ATOM 0 HD22 LEU A 50 2.051 2.260 -0.255 1.00 55.03 H new ATOM 0 HD23 LEU A 50 0.836 2.827 -1.425 1.00 55.03 H new ATOM 739 N LEU A 51 -0.674 -1.139 -2.075 1.00 75.32 N ATOM 740 CA LEU A 51 -0.838 -2.568 -2.394 1.00 34.51 C ATOM 741 C LEU A 51 0.422 -3.347 -1.964 1.00 54.51 C ATOM 742 O LEU A 51 1.491 -3.220 -2.574 1.00 12.25 O ATOM 743 CB LEU A 51 -1.129 -2.735 -3.915 1.00 20.22 C ATOM 744 CG LEU A 51 -1.674 -4.129 -4.348 1.00 30.41 C ATOM 745 CD1 LEU A 51 -2.962 -4.482 -3.575 1.00 31.11 C ATOM 746 CD2 LEU A 51 -1.904 -4.187 -5.879 1.00 75.21 C ATOM 0 H LEU A 51 -0.065 -0.634 -2.719 1.00 75.32 H new ATOM 0 HA LEU A 51 -1.685 -2.977 -1.844 1.00 34.51 H new ATOM 0 HB2 LEU A 51 -1.850 -1.974 -4.214 1.00 20.22 H new ATOM 0 HB3 LEU A 51 -0.210 -2.537 -4.466 1.00 20.22 H new ATOM 0 HG LEU A 51 -0.921 -4.876 -4.099 1.00 30.41 H new ATOM 0 HD11 LEU A 51 -3.322 -5.460 -3.895 1.00 31.11 H new ATOM 0 HD12 LEU A 51 -2.750 -4.506 -2.506 1.00 31.11 H new ATOM 0 HD13 LEU A 51 -3.725 -3.730 -3.777 1.00 31.11 H new ATOM 0 HD21 LEU A 51 -2.284 -5.171 -6.153 1.00 75.21 H new ATOM 0 HD22 LEU A 51 -2.628 -3.425 -6.167 1.00 75.21 H new ATOM 0 HD23 LEU A 51 -0.961 -4.006 -6.396 1.00 75.21 H new ATOM 758 N LEU A 52 0.281 -4.160 -0.897 1.00 13.00 N ATOM 759 CA LEU A 52 1.412 -4.877 -0.268 1.00 62.22 C ATOM 760 C LEU A 52 1.459 -6.345 -0.744 1.00 11.24 C ATOM 761 O LEU A 52 0.474 -7.071 -0.624 1.00 11.03 O ATOM 762 CB LEU A 52 1.283 -4.818 1.284 1.00 30.01 C ATOM 763 CG LEU A 52 0.982 -3.408 1.907 1.00 1.52 C ATOM 764 CD1 LEU A 52 0.963 -3.470 3.443 1.00 54.02 C ATOM 765 CD2 LEU A 52 1.967 -2.325 1.417 1.00 55.33 C ATOM 0 H LEU A 52 -0.617 -4.338 -0.447 1.00 13.00 H new ATOM 0 HA LEU A 52 2.340 -4.390 -0.566 1.00 62.22 H new ATOM 0 HB2 LEU A 52 0.490 -5.502 1.587 1.00 30.01 H new ATOM 0 HB3 LEU A 52 2.210 -5.192 1.718 1.00 30.01 H new ATOM 0 HG LEU A 52 -0.011 -3.121 1.561 1.00 1.52 H new ATOM 0 HD11 LEU A 52 0.752 -2.479 3.845 1.00 54.02 H new ATOM 0 HD12 LEU A 52 0.190 -4.166 3.770 1.00 54.02 H new ATOM 0 HD13 LEU A 52 1.933 -3.809 3.805 1.00 54.02 H new ATOM 0 HD21 LEU A 52 1.715 -1.369 1.877 1.00 55.33 H new ATOM 0 HD22 LEU A 52 2.983 -2.605 1.695 1.00 55.33 H new ATOM 0 HD23 LEU A 52 1.899 -2.235 0.333 1.00 55.33 H new ATOM 777 N GLY A 53 2.623 -6.773 -1.260 1.00 32.03 N ATOM 778 CA GLY A 53 2.809 -8.139 -1.784 1.00 32.41 C ATOM 779 C GLY A 53 2.891 -8.189 -3.309 1.00 3.32 C ATOM 780 O GLY A 53 2.459 -9.156 -3.936 1.00 40.53 O ATOM 0 H GLY A 53 3.456 -6.188 -1.326 1.00 32.03 H new ATOM 0 HA2 GLY A 53 3.721 -8.562 -1.363 1.00 32.41 H new ATOM 0 HA3 GLY A 53 1.982 -8.766 -1.450 1.00 32.41 H new ATOM 784 N VAL A 54 3.442 -7.128 -3.912 1.00 61.05 N ATOM 785 CA VAL A 54 3.669 -7.053 -5.373 1.00 3.20 C ATOM 786 C VAL A 54 5.182 -7.055 -5.671 1.00 63.24 C ATOM 787 O VAL A 54 5.953 -6.390 -4.985 1.00 31.10 O ATOM 788 CB VAL A 54 3.020 -5.749 -5.986 1.00 23.33 C ATOM 789 CG1 VAL A 54 3.227 -5.653 -7.523 1.00 0.45 C ATOM 790 CG2 VAL A 54 1.520 -5.662 -5.638 1.00 23.20 C ATOM 0 H VAL A 54 3.745 -6.295 -3.407 1.00 61.05 H new ATOM 0 HA VAL A 54 3.199 -7.924 -5.830 1.00 3.20 H new ATOM 0 HB VAL A 54 3.535 -4.900 -5.535 1.00 23.33 H new ATOM 0 HG11 VAL A 54 2.763 -4.740 -7.896 1.00 0.45 H new ATOM 0 HG12 VAL A 54 4.294 -5.635 -7.746 1.00 0.45 H new ATOM 0 HG13 VAL A 54 2.770 -6.516 -8.006 1.00 0.45 H new ATOM 0 HG21 VAL A 54 1.098 -4.756 -6.072 1.00 23.20 H new ATOM 0 HG22 VAL A 54 1.002 -6.532 -6.041 1.00 23.20 H new ATOM 0 HG23 VAL A 54 1.399 -5.637 -4.555 1.00 23.20 H new ATOM 800 N ASP A 55 5.580 -7.817 -6.695 1.00 74.30 N ATOM 801 CA ASP A 55 6.951 -7.821 -7.240 1.00 51.12 C ATOM 802 C ASP A 55 6.913 -7.163 -8.633 1.00 31.05 C ATOM 803 O ASP A 55 5.860 -7.116 -9.274 1.00 72.14 O ATOM 804 CB ASP A 55 7.492 -9.271 -7.322 1.00 25.41 C ATOM 805 CG ASP A 55 8.973 -9.357 -7.736 1.00 21.53 C ATOM 806 OD1 ASP A 55 9.846 -9.135 -6.871 1.00 21.32 O ATOM 807 OD2 ASP A 55 9.264 -9.647 -8.917 1.00 1.34 O ATOM 0 H ASP A 55 4.953 -8.460 -7.179 1.00 74.30 H new ATOM 0 HA ASP A 55 7.621 -7.260 -6.589 1.00 51.12 H new ATOM 0 HB2 ASP A 55 7.367 -9.751 -6.352 1.00 25.41 H new ATOM 0 HB3 ASP A 55 6.891 -9.834 -8.036 1.00 25.41 H new ATOM 812 N TRP A 56 8.057 -6.650 -9.098 1.00 41.33 N ATOM 813 CA TRP A 56 8.141 -5.941 -10.390 1.00 30.23 C ATOM 814 C TRP A 56 9.478 -6.223 -11.109 1.00 4.14 C ATOM 815 O TRP A 56 10.546 -6.218 -10.487 1.00 74.01 O ATOM 816 CB TRP A 56 7.892 -4.415 -10.193 1.00 50.24 C ATOM 817 CG TRP A 56 8.674 -3.789 -9.054 1.00 72.21 C ATOM 818 CD1 TRP A 56 9.954 -3.302 -9.087 1.00 44.50 C ATOM 819 CD2 TRP A 56 8.210 -3.590 -7.710 1.00 45.32 C ATOM 820 NE1 TRP A 56 10.311 -2.835 -7.849 1.00 43.50 N ATOM 821 CE2 TRP A 56 9.258 -2.995 -6.989 1.00 74.04 C ATOM 822 CE3 TRP A 56 7.006 -3.860 -7.051 1.00 14.11 C ATOM 823 CZ2 TRP A 56 9.143 -2.667 -5.639 1.00 34.13 C ATOM 824 CZ3 TRP A 56 6.895 -3.537 -5.715 1.00 51.31 C ATOM 825 CH2 TRP A 56 7.957 -2.947 -5.020 1.00 53.23 C ATOM 0 H TRP A 56 8.945 -6.711 -8.600 1.00 41.33 H new ATOM 0 HA TRP A 56 7.354 -6.324 -11.040 1.00 30.23 H new ATOM 0 HB2 TRP A 56 8.145 -3.897 -11.118 1.00 50.24 H new ATOM 0 HB3 TRP A 56 6.828 -4.254 -10.018 1.00 50.24 H new ATOM 0 HD1 TRP A 56 10.589 -3.288 -9.961 1.00 44.50 H new ATOM 0 HE1 TRP A 56 11.216 -2.433 -7.607 1.00 43.50 H new ATOM 0 HE3 TRP A 56 6.179 -4.313 -7.578 1.00 14.11 H new ATOM 0 HZ2 TRP A 56 9.961 -2.209 -5.102 1.00 34.13 H new ATOM 0 HZ3 TRP A 56 5.971 -3.743 -5.195 1.00 51.31 H new ATOM 0 HH2 TRP A 56 7.837 -2.708 -3.974 1.00 53.23 H new ATOM 836 N ALA A 57 9.397 -6.477 -12.428 1.00 0.30 N ATOM 837 CA ALA A 57 10.568 -6.787 -13.280 1.00 42.10 C ATOM 838 C ALA A 57 10.554 -5.926 -14.558 1.00 4.31 C ATOM 839 O ALA A 57 9.514 -5.776 -15.204 1.00 3.51 O ATOM 840 CB ALA A 57 10.586 -8.287 -13.632 1.00 21.21 C ATOM 0 H ALA A 57 8.514 -6.474 -12.939 1.00 0.30 H new ATOM 0 HA ALA A 57 11.475 -6.550 -12.724 1.00 42.10 H new ATOM 0 HB1 ALA A 57 11.451 -8.503 -14.259 1.00 21.21 H new ATOM 0 HB2 ALA A 57 10.645 -8.875 -12.716 1.00 21.21 H new ATOM 0 HB3 ALA A 57 9.674 -8.545 -14.171 1.00 21.21 H new ATOM 846 N ILE A 58 11.719 -5.368 -14.913 1.00 62.31 N ATOM 847 CA ILE A 58 11.877 -4.497 -16.096 1.00 62.12 C ATOM 848 C ILE A 58 12.409 -5.301 -17.311 1.00 73.44 C ATOM 849 O ILE A 58 13.336 -6.110 -17.173 1.00 24.12 O ATOM 850 CB ILE A 58 12.838 -3.291 -15.754 1.00 21.02 C ATOM 851 CG1 ILE A 58 12.227 -2.416 -14.604 1.00 2.52 C ATOM 852 CG2 ILE A 58 13.150 -2.430 -17.000 1.00 51.35 C ATOM 853 CD1 ILE A 58 13.010 -1.156 -14.263 1.00 22.12 C ATOM 0 H ILE A 58 12.584 -5.505 -14.390 1.00 62.31 H new ATOM 0 HA ILE A 58 10.899 -4.098 -16.367 1.00 62.12 H new ATOM 0 HB ILE A 58 13.784 -3.708 -15.410 1.00 21.02 H new ATOM 0 HG12 ILE A 58 11.214 -2.130 -14.886 1.00 2.52 H new ATOM 0 HG13 ILE A 58 12.147 -3.029 -13.706 1.00 2.52 H new ATOM 0 HG21 ILE A 58 13.814 -1.612 -16.720 1.00 51.35 H new ATOM 0 HG22 ILE A 58 13.634 -3.047 -17.757 1.00 51.35 H new ATOM 0 HG23 ILE A 58 12.222 -2.023 -17.403 1.00 51.35 H new ATOM 0 HD11 ILE A 58 12.506 -0.622 -13.457 1.00 22.12 H new ATOM 0 HD12 ILE A 58 14.016 -1.428 -13.944 1.00 22.12 H new ATOM 0 HD13 ILE A 58 13.069 -0.515 -15.143 1.00 22.12 H new ATOM 865 N ASN A 59 11.799 -5.082 -18.495 1.00 71.22 N ATOM 866 CA ASN A 59 12.250 -5.694 -19.776 1.00 72.23 C ATOM 867 C ASN A 59 13.389 -4.861 -20.443 1.00 23.14 C ATOM 868 O ASN A 59 13.837 -3.850 -19.892 1.00 75.21 O ATOM 869 CB ASN A 59 11.033 -5.865 -20.736 1.00 62.54 C ATOM 870 CG ASN A 59 10.277 -4.565 -21.061 1.00 53.24 C ATOM 871 OD1 ASN A 59 10.827 -3.477 -21.057 1.00 44.24 O ATOM 872 ND2 ASN A 59 9.006 -4.674 -21.365 1.00 53.44 N ATOM 0 H ASN A 59 10.982 -4.479 -18.596 1.00 71.22 H new ATOM 0 HA ASN A 59 12.666 -6.678 -19.560 1.00 72.23 H new ATOM 0 HB2 ASN A 59 11.384 -6.307 -21.669 1.00 62.54 H new ATOM 0 HB3 ASN A 59 10.334 -6.573 -20.291 1.00 62.54 H new ATOM 0 HD21 ASN A 59 8.465 -3.842 -21.602 1.00 53.44 H new ATOM 0 HD22 ASN A 59 8.558 -5.590 -21.365 1.00 53.44 H new ATOM 879 N ASP A 60 13.844 -5.283 -21.643 1.00 72.12 N ATOM 880 CA ASP A 60 14.919 -4.572 -22.396 1.00 22.43 C ATOM 881 C ASP A 60 14.484 -3.153 -22.884 1.00 23.12 C ATOM 882 O ASP A 60 15.328 -2.279 -23.113 1.00 55.43 O ATOM 883 CB ASP A 60 15.394 -5.440 -23.587 1.00 65.55 C ATOM 884 CG ASP A 60 14.277 -5.731 -24.607 1.00 25.43 C ATOM 885 OD1 ASP A 60 13.556 -6.739 -24.436 1.00 23.25 O ATOM 886 OD2 ASP A 60 14.106 -4.945 -25.564 1.00 62.14 O ATOM 0 H ASP A 60 13.488 -6.113 -22.117 1.00 72.12 H new ATOM 0 HA ASP A 60 15.748 -4.418 -21.705 1.00 22.43 H new ATOM 0 HB2 ASP A 60 16.216 -4.934 -24.092 1.00 65.55 H new ATOM 0 HB3 ASP A 60 15.786 -6.384 -23.207 1.00 65.55 H new ATOM 891 N LYS A 61 13.162 -2.958 -23.053 1.00 71.14 N ATOM 892 CA LYS A 61 12.564 -1.662 -23.477 1.00 25.54 C ATOM 893 C LYS A 61 12.476 -0.641 -22.317 1.00 23.00 C ATOM 894 O LYS A 61 12.401 0.565 -22.560 1.00 63.51 O ATOM 895 CB LYS A 61 11.150 -1.901 -24.073 1.00 34.42 C ATOM 896 CG LYS A 61 11.130 -2.697 -25.394 1.00 60.23 C ATOM 897 CD LYS A 61 9.702 -3.016 -25.925 1.00 62.51 C ATOM 898 CE LYS A 61 8.857 -1.772 -26.302 1.00 2.44 C ATOM 899 NZ LYS A 61 8.344 -1.028 -25.119 1.00 13.11 N ATOM 0 H LYS A 61 12.471 -3.692 -22.901 1.00 71.14 H new ATOM 0 HA LYS A 61 13.223 -1.237 -24.234 1.00 25.54 H new ATOM 0 HB2 LYS A 61 10.546 -2.431 -23.337 1.00 34.42 H new ATOM 0 HB3 LYS A 61 10.674 -0.935 -24.240 1.00 34.42 H new ATOM 0 HG2 LYS A 61 11.670 -2.132 -26.154 1.00 60.23 H new ATOM 0 HG3 LYS A 61 11.669 -3.633 -25.249 1.00 60.23 H new ATOM 0 HD2 LYS A 61 9.790 -3.657 -26.802 1.00 62.51 H new ATOM 0 HD3 LYS A 61 9.166 -3.586 -25.166 1.00 62.51 H new ATOM 0 HE2 LYS A 61 9.463 -1.100 -26.910 1.00 2.44 H new ATOM 0 HE3 LYS A 61 8.015 -2.087 -26.918 1.00 2.44 H new ATOM 0 HZ1 LYS A 61 7.327 -0.848 -25.237 1.00 13.11 H new ATOM 0 HZ2 LYS A 61 8.498 -1.593 -24.260 1.00 13.11 H new ATOM 0 HZ3 LYS A 61 8.848 -0.123 -25.033 1.00 13.11 H new ATOM 913 N GLY A 62 12.470 -1.133 -21.062 1.00 15.53 N ATOM 914 CA GLY A 62 12.430 -0.257 -19.870 1.00 35.03 C ATOM 915 C GLY A 62 11.096 -0.278 -19.105 1.00 53.13 C ATOM 916 O GLY A 62 10.968 0.387 -18.070 1.00 24.44 O ATOM 0 H GLY A 62 12.492 -2.130 -20.846 1.00 15.53 H new ATOM 0 HA2 GLY A 62 13.228 -0.554 -19.190 1.00 35.03 H new ATOM 0 HA3 GLY A 62 12.640 0.767 -20.180 1.00 35.03 H new ATOM 920 N ASP A 63 10.115 -1.054 -19.592 1.00 63.34 N ATOM 921 CA ASP A 63 8.769 -1.142 -18.977 1.00 40.33 C ATOM 922 C ASP A 63 8.805 -1.996 -17.689 1.00 70.33 C ATOM 923 O ASP A 63 9.196 -3.170 -17.725 1.00 55.52 O ATOM 924 CB ASP A 63 7.746 -1.745 -19.973 1.00 10.14 C ATOM 925 CG ASP A 63 7.724 -1.008 -21.318 1.00 13.22 C ATOM 926 OD1 ASP A 63 7.161 0.110 -21.391 1.00 30.23 O ATOM 927 OD2 ASP A 63 8.298 -1.522 -22.302 1.00 51.12 O ATOM 0 H ASP A 63 10.226 -1.639 -20.420 1.00 63.34 H new ATOM 0 HA ASP A 63 8.458 -0.130 -18.720 1.00 40.33 H new ATOM 0 HB2 ASP A 63 7.986 -2.795 -20.143 1.00 10.14 H new ATOM 0 HB3 ASP A 63 6.751 -1.713 -19.529 1.00 10.14 H new ATOM 932 N THR A 64 8.413 -1.384 -16.559 1.00 65.33 N ATOM 933 CA THR A 64 8.286 -2.084 -15.264 1.00 53.14 C ATOM 934 C THR A 64 6.940 -2.842 -15.208 1.00 40.35 C ATOM 935 O THR A 64 5.868 -2.232 -15.304 1.00 51.52 O ATOM 936 CB THR A 64 8.388 -1.084 -14.055 1.00 12.32 C ATOM 937 OG1 THR A 64 9.602 -0.316 -14.154 1.00 2.42 O ATOM 938 CG2 THR A 64 8.369 -1.806 -12.692 1.00 25.21 C ATOM 0 H THR A 64 8.175 -0.393 -16.514 1.00 65.33 H new ATOM 0 HA THR A 64 9.110 -2.793 -15.182 1.00 53.14 H new ATOM 0 HB THR A 64 7.515 -0.433 -14.107 1.00 12.32 H new ATOM 0 HG1 THR A 64 9.658 0.306 -13.399 1.00 2.42 H new ATOM 0 HG21 THR A 64 8.442 -1.071 -11.890 1.00 25.21 H new ATOM 0 HG22 THR A 64 7.439 -2.365 -12.589 1.00 25.21 H new ATOM 0 HG23 THR A 64 9.213 -2.493 -12.632 1.00 25.21 H new ATOM 946 N VAL A 65 7.016 -4.173 -15.066 1.00 62.52 N ATOM 947 CA VAL A 65 5.836 -5.063 -15.036 1.00 25.22 C ATOM 948 C VAL A 65 5.483 -5.392 -13.574 1.00 24.10 C ATOM 949 O VAL A 65 6.262 -6.058 -12.891 1.00 72.25 O ATOM 950 CB VAL A 65 6.106 -6.403 -15.824 1.00 52.43 C ATOM 951 CG1 VAL A 65 4.825 -7.282 -15.899 1.00 14.31 C ATOM 952 CG2 VAL A 65 6.680 -6.115 -17.234 1.00 51.32 C ATOM 0 H VAL A 65 7.901 -4.670 -14.968 1.00 62.52 H new ATOM 0 HA VAL A 65 5.006 -4.546 -15.518 1.00 25.22 H new ATOM 0 HB VAL A 65 6.857 -6.968 -15.272 1.00 52.43 H new ATOM 0 HG11 VAL A 65 5.044 -8.198 -16.448 1.00 14.31 H new ATOM 0 HG12 VAL A 65 4.497 -7.533 -14.890 1.00 14.31 H new ATOM 0 HG13 VAL A 65 4.036 -6.732 -16.411 1.00 14.31 H new ATOM 0 HG21 VAL A 65 6.856 -7.056 -17.754 1.00 51.32 H new ATOM 0 HG22 VAL A 65 5.968 -5.515 -17.801 1.00 51.32 H new ATOM 0 HG23 VAL A 65 7.620 -5.571 -17.140 1.00 51.32 H new ATOM 962 N TYR A 66 4.309 -4.944 -13.107 1.00 51.15 N ATOM 963 CA TYR A 66 3.879 -5.138 -11.705 1.00 62.32 C ATOM 964 C TYR A 66 2.998 -6.408 -11.617 1.00 61.13 C ATOM 965 O TYR A 66 2.034 -6.552 -12.377 1.00 3.30 O ATOM 966 CB TYR A 66 3.098 -3.896 -11.195 1.00 4.11 C ATOM 967 CG TYR A 66 3.869 -2.559 -11.301 1.00 41.14 C ATOM 968 CD1 TYR A 66 3.955 -1.878 -12.520 1.00 33.24 C ATOM 969 CD2 TYR A 66 4.495 -1.974 -10.189 1.00 31.31 C ATOM 970 CE1 TYR A 66 4.631 -0.678 -12.631 1.00 0.40 C ATOM 971 CE2 TYR A 66 5.172 -0.765 -10.301 1.00 45.53 C ATOM 972 CZ TYR A 66 5.233 -0.124 -11.525 1.00 72.41 C ATOM 973 OH TYR A 66 5.905 1.079 -11.641 1.00 72.20 O ATOM 0 H TYR A 66 3.632 -4.441 -13.681 1.00 51.15 H new ATOM 0 HA TYR A 66 4.758 -5.262 -11.072 1.00 62.32 H new ATOM 0 HB2 TYR A 66 2.170 -3.810 -11.760 1.00 4.11 H new ATOM 0 HB3 TYR A 66 2.823 -4.059 -10.153 1.00 4.11 H new ATOM 0 HD1 TYR A 66 3.482 -2.300 -13.394 1.00 33.24 H new ATOM 0 HD2 TYR A 66 4.450 -2.471 -9.231 1.00 31.31 H new ATOM 0 HE1 TYR A 66 4.687 -0.175 -13.585 1.00 0.40 H new ATOM 0 HE2 TYR A 66 5.648 -0.328 -9.436 1.00 45.53 H new ATOM 0 HH TYR A 66 6.272 1.334 -10.769 1.00 72.20 H new ATOM 983 N ARG A 67 3.306 -7.303 -10.666 1.00 51.51 N ATOM 984 CA ARG A 67 2.663 -8.639 -10.572 1.00 51.43 C ATOM 985 C ARG A 67 2.456 -9.061 -9.085 1.00 25.42 C ATOM 986 O ARG A 67 3.387 -8.971 -8.277 1.00 53.44 O ATOM 987 CB ARG A 67 3.505 -9.692 -11.358 1.00 63.24 C ATOM 988 CG ARG A 67 4.975 -9.829 -10.895 1.00 64.54 C ATOM 989 CD ARG A 67 5.771 -10.871 -11.702 1.00 34.05 C ATOM 990 NE ARG A 67 5.189 -12.228 -11.611 1.00 64.51 N ATOM 991 CZ ARG A 67 5.870 -13.359 -11.597 1.00 31.13 C ATOM 992 NH1 ARG A 67 7.166 -13.367 -11.653 1.00 42.24 N ATOM 993 NH2 ARG A 67 5.239 -14.484 -11.534 1.00 64.32 N ATOM 0 H ARG A 67 4.002 -7.131 -9.941 1.00 51.51 H new ATOM 0 HA ARG A 67 1.674 -8.585 -11.027 1.00 51.43 H new ATOM 0 HB2 ARG A 67 3.019 -10.664 -11.269 1.00 63.24 H new ATOM 0 HB3 ARG A 67 3.496 -9.427 -12.415 1.00 63.24 H new ATOM 0 HG2 ARG A 67 5.467 -8.860 -10.979 1.00 64.54 H new ATOM 0 HG3 ARG A 67 4.993 -10.105 -9.841 1.00 64.54 H new ATOM 0 HD2 ARG A 67 5.807 -10.565 -12.747 1.00 34.05 H new ATOM 0 HD3 ARG A 67 6.799 -10.896 -11.341 1.00 34.05 H new ATOM 0 HE ARG A 67 4.173 -12.296 -11.554 1.00 64.51 H new ATOM 0 HH11 ARG A 67 7.679 -12.487 -11.709 1.00 42.24 H new ATOM 0 HH12 ARG A 67 7.672 -14.253 -11.641 1.00 42.24 H new ATOM 0 HH21 ARG A 67 4.220 -14.496 -11.495 1.00 64.32 H new ATOM 0 HH22 ARG A 67 5.760 -15.361 -11.523 1.00 64.32 H new ATOM 1007 N PRO A 68 1.224 -9.528 -8.692 1.00 75.03 N ATOM 1008 CA PRO A 68 0.911 -9.881 -7.287 1.00 63.44 C ATOM 1009 C PRO A 68 1.496 -11.260 -6.874 1.00 11.11 C ATOM 1010 O PRO A 68 0.967 -12.316 -7.241 1.00 12.05 O ATOM 1011 CB PRO A 68 -0.638 -9.870 -7.274 1.00 51.11 C ATOM 1012 CG PRO A 68 -1.035 -10.274 -8.664 1.00 74.55 C ATOM 1013 CD PRO A 68 0.054 -9.756 -9.586 1.00 52.43 C ATOM 0 HA PRO A 68 1.352 -9.193 -6.566 1.00 63.44 H new ATOM 0 HB2 PRO A 68 -1.032 -10.564 -6.532 1.00 51.11 H new ATOM 0 HB3 PRO A 68 -1.025 -8.882 -7.023 1.00 51.11 H new ATOM 0 HG2 PRO A 68 -1.128 -11.357 -8.742 1.00 74.55 H new ATOM 0 HG3 PRO A 68 -2.004 -9.851 -8.930 1.00 74.55 H new ATOM 0 HD2 PRO A 68 0.288 -10.478 -10.369 1.00 52.43 H new ATOM 0 HD3 PRO A 68 -0.251 -8.835 -10.082 1.00 52.43 H new ATOM 1021 N VAL A 69 2.627 -11.244 -6.140 1.00 64.51 N ATOM 1022 CA VAL A 69 3.315 -12.479 -5.681 1.00 5.44 C ATOM 1023 C VAL A 69 2.952 -12.838 -4.217 1.00 1.53 C ATOM 1024 O VAL A 69 3.345 -13.901 -3.713 1.00 10.42 O ATOM 1025 CB VAL A 69 4.874 -12.335 -5.837 1.00 71.21 C ATOM 1026 CG1 VAL A 69 5.246 -12.120 -7.327 1.00 71.33 C ATOM 1027 CG2 VAL A 69 5.438 -11.197 -4.936 1.00 13.45 C ATOM 0 H VAL A 69 3.091 -10.384 -5.848 1.00 64.51 H new ATOM 0 HA VAL A 69 2.968 -13.295 -6.315 1.00 5.44 H new ATOM 0 HB VAL A 69 5.337 -13.262 -5.500 1.00 71.21 H new ATOM 0 HG11 VAL A 69 6.327 -12.022 -7.421 1.00 71.33 H new ATOM 0 HG12 VAL A 69 4.907 -12.974 -7.914 1.00 71.33 H new ATOM 0 HG13 VAL A 69 4.766 -11.213 -7.695 1.00 71.33 H new ATOM 0 HG21 VAL A 69 6.517 -11.128 -5.071 1.00 13.45 H new ATOM 0 HG22 VAL A 69 4.976 -10.250 -5.214 1.00 13.45 H new ATOM 0 HG23 VAL A 69 5.216 -11.416 -3.892 1.00 13.45 H new ATOM 1037 N GLY A 70 2.205 -11.939 -3.553 1.00 12.42 N ATOM 1038 CA GLY A 70 1.673 -12.175 -2.210 1.00 22.33 C ATOM 1039 C GLY A 70 2.639 -11.829 -1.071 1.00 73.13 C ATOM 1040 O GLY A 70 3.793 -11.452 -1.294 1.00 64.34 O ATOM 0 H GLY A 70 1.956 -11.028 -3.938 1.00 12.42 H new ATOM 0 HA2 GLY A 70 0.762 -11.590 -2.086 1.00 22.33 H new ATOM 0 HA3 GLY A 70 1.392 -13.225 -2.124 1.00 22.33 H new ATOM 1044 N LEU A 71 2.129 -11.945 0.158 1.00 43.14 N ATOM 1045 CA LEU A 71 2.894 -11.771 1.409 1.00 5.42 C ATOM 1046 C LEU A 71 3.158 -13.155 2.064 1.00 62.22 C ATOM 1047 O LEU A 71 2.258 -14.002 2.070 1.00 62.53 O ATOM 1048 CB LEU A 71 2.084 -10.858 2.378 1.00 62.10 C ATOM 1049 CG LEU A 71 1.898 -9.373 1.919 1.00 63.40 C ATOM 1050 CD1 LEU A 71 0.811 -8.656 2.751 1.00 61.33 C ATOM 1051 CD2 LEU A 71 3.243 -8.600 1.976 1.00 22.43 C ATOM 0 H LEU A 71 1.147 -12.168 0.322 1.00 43.14 H new ATOM 0 HA LEU A 71 3.854 -11.303 1.192 1.00 5.42 H new ATOM 0 HB2 LEU A 71 1.098 -11.300 2.524 1.00 62.10 H new ATOM 0 HB3 LEU A 71 2.581 -10.859 3.348 1.00 62.10 H new ATOM 0 HG LEU A 71 1.562 -9.389 0.882 1.00 63.40 H new ATOM 0 HD11 LEU A 71 0.708 -7.627 2.406 1.00 61.33 H new ATOM 0 HD12 LEU A 71 -0.140 -9.176 2.632 1.00 61.33 H new ATOM 0 HD13 LEU A 71 1.097 -8.659 3.803 1.00 61.33 H new ATOM 0 HD21 LEU A 71 3.085 -7.571 1.652 1.00 22.43 H new ATOM 0 HD22 LEU A 71 3.622 -8.605 2.998 1.00 22.43 H new ATOM 0 HD23 LEU A 71 3.967 -9.081 1.318 1.00 22.43 H new ATOM 1063 N PRO A 72 4.396 -13.427 2.602 1.00 24.01 N ATOM 1064 CA PRO A 72 4.671 -14.679 3.360 1.00 71.11 C ATOM 1065 C PRO A 72 3.957 -14.701 4.742 1.00 2.44 C ATOM 1066 O PRO A 72 3.569 -15.764 5.237 1.00 60.14 O ATOM 1067 CB PRO A 72 6.218 -14.670 3.500 1.00 70.30 C ATOM 1068 CG PRO A 72 6.593 -13.216 3.454 1.00 1.01 C ATOM 1069 CD PRO A 72 5.613 -12.572 2.491 1.00 44.10 C ATOM 0 HA PRO A 72 4.294 -15.570 2.858 1.00 71.11 H new ATOM 0 HB2 PRO A 72 6.534 -15.132 4.435 1.00 70.30 H new ATOM 0 HB3 PRO A 72 6.693 -15.228 2.693 1.00 70.30 H new ATOM 0 HG2 PRO A 72 6.526 -12.763 4.443 1.00 1.01 H new ATOM 0 HG3 PRO A 72 7.620 -13.087 3.113 1.00 1.01 H new ATOM 0 HD2 PRO A 72 5.403 -11.538 2.765 1.00 44.10 H new ATOM 0 HD3 PRO A 72 6.002 -12.559 1.473 1.00 44.10 H new ATOM 1077 N ASP A 73 3.768 -13.502 5.340 1.00 23.20 N ATOM 1078 CA ASP A 73 3.072 -13.326 6.641 1.00 1.41 C ATOM 1079 C ASP A 73 1.908 -12.291 6.507 1.00 23.24 C ATOM 1080 O ASP A 73 1.970 -11.223 7.118 1.00 40.21 O ATOM 1081 CB ASP A 73 4.094 -12.852 7.717 1.00 55.41 C ATOM 1082 CG ASP A 73 5.331 -13.752 7.839 1.00 53.23 C ATOM 1083 OD1 ASP A 73 6.306 -13.540 7.088 1.00 13.15 O ATOM 1084 OD2 ASP A 73 5.342 -14.669 8.685 1.00 11.15 O ATOM 0 H ASP A 73 4.094 -12.625 4.934 1.00 23.20 H new ATOM 0 HA ASP A 73 2.644 -14.281 6.946 1.00 1.41 H new ATOM 0 HB2 ASP A 73 4.416 -11.839 7.476 1.00 55.41 H new ATOM 0 HB3 ASP A 73 3.593 -12.806 8.684 1.00 55.41 H new ATOM 1089 N PRO A 74 0.812 -12.594 5.723 1.00 43.21 N ATOM 1090 CA PRO A 74 -0.229 -11.581 5.362 1.00 71.02 C ATOM 1091 C PRO A 74 -0.991 -10.992 6.574 1.00 10.20 C ATOM 1092 O PRO A 74 -1.203 -9.773 6.661 1.00 12.23 O ATOM 1093 CB PRO A 74 -1.191 -12.362 4.423 1.00 75.20 C ATOM 1094 CG PRO A 74 -0.406 -13.561 3.979 1.00 71.12 C ATOM 1095 CD PRO A 74 0.477 -13.921 5.150 1.00 32.13 C ATOM 0 HA PRO A 74 0.227 -10.705 4.901 1.00 71.02 H new ATOM 0 HB2 PRO A 74 -2.101 -12.657 4.946 1.00 75.20 H new ATOM 0 HB3 PRO A 74 -1.495 -11.752 3.573 1.00 75.20 H new ATOM 0 HG2 PRO A 74 -1.067 -14.387 3.717 1.00 71.12 H new ATOM 0 HG3 PRO A 74 0.189 -13.335 3.094 1.00 71.12 H new ATOM 0 HD2 PRO A 74 -0.042 -14.554 5.870 1.00 32.13 H new ATOM 0 HD3 PRO A 74 1.368 -14.463 4.834 1.00 32.13 H new ATOM 1103 N ASP A 75 -1.374 -11.871 7.511 1.00 63.23 N ATOM 1104 CA ASP A 75 -2.150 -11.483 8.701 1.00 25.32 C ATOM 1105 C ASP A 75 -1.273 -10.667 9.683 1.00 20.25 C ATOM 1106 O ASP A 75 -1.733 -9.687 10.271 1.00 4.41 O ATOM 1107 CB ASP A 75 -2.725 -12.741 9.387 1.00 74.52 C ATOM 1108 CG ASP A 75 -3.679 -12.401 10.542 1.00 31.35 C ATOM 1109 OD1 ASP A 75 -4.859 -12.105 10.270 1.00 42.44 O ATOM 1110 OD2 ASP A 75 -3.254 -12.434 11.720 1.00 61.14 O ATOM 0 H ASP A 75 -1.157 -12.867 7.467 1.00 63.23 H new ATOM 0 HA ASP A 75 -2.980 -10.848 8.390 1.00 25.32 H new ATOM 0 HB2 ASP A 75 -3.255 -13.343 8.649 1.00 74.52 H new ATOM 0 HB3 ASP A 75 -1.905 -13.351 9.766 1.00 74.52 H new ATOM 1115 N LYS A 76 0.003 -11.085 9.823 1.00 73.25 N ATOM 1116 CA LYS A 76 1.017 -10.358 10.620 1.00 63.24 C ATOM 1117 C LYS A 76 1.242 -8.929 10.068 1.00 74.12 C ATOM 1118 O LYS A 76 1.273 -7.966 10.836 1.00 73.14 O ATOM 1119 CB LYS A 76 2.352 -11.162 10.672 1.00 50.02 C ATOM 1120 CG LYS A 76 3.603 -10.342 11.116 1.00 33.23 C ATOM 1121 CD LYS A 76 4.761 -11.216 11.654 1.00 71.20 C ATOM 1122 CE LYS A 76 4.407 -11.873 13.001 1.00 50.34 C ATOM 1123 NZ LYS A 76 4.047 -10.861 14.033 1.00 71.34 N ATOM 0 H LYS A 76 0.360 -11.935 9.387 1.00 73.25 H new ATOM 0 HA LYS A 76 0.643 -10.259 11.639 1.00 63.24 H new ATOM 0 HB2 LYS A 76 2.226 -12.001 11.356 1.00 50.02 H new ATOM 0 HB3 LYS A 76 2.544 -11.582 9.684 1.00 50.02 H new ATOM 0 HG2 LYS A 76 3.963 -9.759 10.269 1.00 33.23 H new ATOM 0 HG3 LYS A 76 3.306 -9.633 11.888 1.00 33.23 H new ATOM 0 HD2 LYS A 76 5.001 -11.990 10.925 1.00 71.20 H new ATOM 0 HD3 LYS A 76 5.654 -10.602 11.773 1.00 71.20 H new ATOM 0 HE2 LYS A 76 3.574 -12.562 12.861 1.00 50.34 H new ATOM 0 HE3 LYS A 76 5.254 -12.464 13.351 1.00 50.34 H new ATOM 0 HZ1 LYS A 76 4.064 -11.304 14.974 1.00 71.34 H new ATOM 0 HZ2 LYS A 76 4.732 -10.079 14.006 1.00 71.34 H new ATOM 0 HZ3 LYS A 76 3.094 -10.493 13.840 1.00 71.34 H new ATOM 1137 N VAL A 77 1.354 -8.807 8.730 1.00 4.11 N ATOM 1138 CA VAL A 77 1.522 -7.500 8.060 1.00 14.33 C ATOM 1139 C VAL A 77 0.319 -6.569 8.365 1.00 43.34 C ATOM 1140 O VAL A 77 0.516 -5.410 8.699 1.00 42.54 O ATOM 1141 CB VAL A 77 1.733 -7.658 6.503 1.00 61.44 C ATOM 1142 CG1 VAL A 77 1.727 -6.291 5.769 1.00 23.23 C ATOM 1143 CG2 VAL A 77 3.051 -8.416 6.197 1.00 0.33 C ATOM 0 H VAL A 77 1.331 -9.600 8.089 1.00 4.11 H new ATOM 0 HA VAL A 77 2.425 -7.041 8.462 1.00 14.33 H new ATOM 0 HB VAL A 77 0.891 -8.240 6.130 1.00 61.44 H new ATOM 0 HG11 VAL A 77 1.876 -6.451 4.701 1.00 23.23 H new ATOM 0 HG12 VAL A 77 0.770 -5.795 5.932 1.00 23.23 H new ATOM 0 HG13 VAL A 77 2.531 -5.666 6.158 1.00 23.23 H new ATOM 0 HG21 VAL A 77 3.173 -8.512 5.118 1.00 0.33 H new ATOM 0 HG22 VAL A 77 3.894 -7.862 6.610 1.00 0.33 H new ATOM 0 HG23 VAL A 77 3.013 -9.408 6.648 1.00 0.33 H new ATOM 1153 N GLN A 78 -0.910 -7.114 8.309 1.00 51.11 N ATOM 1154 CA GLN A 78 -2.146 -6.338 8.587 1.00 21.13 C ATOM 1155 C GLN A 78 -2.223 -5.848 10.059 1.00 71.14 C ATOM 1156 O GLN A 78 -2.441 -4.655 10.318 1.00 24.21 O ATOM 1157 CB GLN A 78 -3.404 -7.182 8.229 1.00 2.32 C ATOM 1158 CG GLN A 78 -4.741 -6.447 8.480 1.00 64.01 C ATOM 1159 CD GLN A 78 -5.986 -7.221 8.040 1.00 22.22 C ATOM 1160 OE1 GLN A 78 -6.019 -8.441 8.043 1.00 32.42 O ATOM 1161 NE2 GLN A 78 -7.028 -6.507 7.687 1.00 40.20 N ATOM 0 H GLN A 78 -1.080 -8.092 8.073 1.00 51.11 H new ATOM 0 HA GLN A 78 -2.115 -5.449 7.957 1.00 21.13 H new ATOM 0 HB2 GLN A 78 -3.350 -7.470 7.179 1.00 2.32 H new ATOM 0 HB3 GLN A 78 -3.391 -8.102 8.813 1.00 2.32 H new ATOM 0 HG2 GLN A 78 -4.824 -6.225 9.544 1.00 64.01 H new ATOM 0 HG3 GLN A 78 -4.719 -5.492 7.956 1.00 64.01 H new ATOM 0 HE21 GLN A 78 -6.974 -5.488 7.693 1.00 40.20 H new ATOM 0 HE22 GLN A 78 -7.892 -6.970 7.406 1.00 40.20 H new ATOM 1170 N ARG A 79 -2.011 -6.774 11.010 1.00 62.33 N ATOM 1171 CA ARG A 79 -2.173 -6.492 12.462 1.00 71.23 C ATOM 1172 C ARG A 79 -1.085 -5.527 12.983 1.00 74.03 C ATOM 1173 O ARG A 79 -1.387 -4.524 13.646 1.00 13.55 O ATOM 1174 CB ARG A 79 -2.154 -7.808 13.283 1.00 51.41 C ATOM 1175 CG ARG A 79 -3.313 -8.784 12.970 1.00 11.23 C ATOM 1176 CD ARG A 79 -4.710 -8.169 13.205 1.00 33.22 C ATOM 1177 NE ARG A 79 -5.803 -9.129 12.945 1.00 12.01 N ATOM 1178 CZ ARG A 79 -6.231 -9.495 11.751 1.00 44.01 C ATOM 1179 NH1 ARG A 79 -5.621 -9.122 10.668 1.00 14.11 N ATOM 1180 NH2 ARG A 79 -7.248 -10.284 11.654 1.00 53.02 N ATOM 0 H ARG A 79 -1.725 -7.732 10.806 1.00 62.33 H new ATOM 0 HA ARG A 79 -3.141 -6.007 12.590 1.00 71.23 H new ATOM 0 HB2 ARG A 79 -1.208 -8.319 13.102 1.00 51.41 H new ATOM 0 HB3 ARG A 79 -2.184 -7.559 14.344 1.00 51.41 H new ATOM 0 HG2 ARG A 79 -3.236 -9.107 11.932 1.00 11.23 H new ATOM 0 HG3 ARG A 79 -3.207 -9.674 13.590 1.00 11.23 H new ATOM 0 HD2 ARG A 79 -4.779 -7.815 14.234 1.00 33.22 H new ATOM 0 HD3 ARG A 79 -4.834 -7.299 12.560 1.00 33.22 H new ATOM 0 HE ARG A 79 -6.265 -9.543 13.755 1.00 12.01 H new ATOM 0 HH11 ARG A 79 -4.791 -8.532 10.728 1.00 14.11 H new ATOM 0 HH12 ARG A 79 -5.972 -9.418 9.757 1.00 14.11 H new ATOM 0 HH21 ARG A 79 -7.715 -10.620 12.496 1.00 53.02 H new ATOM 0 HH22 ARG A 79 -7.585 -10.571 10.735 1.00 53.02 H new ATOM 1194 N ASP A 80 0.178 -5.847 12.660 1.00 44.00 N ATOM 1195 CA ASP A 80 1.349 -5.049 13.066 1.00 21.14 C ATOM 1196 C ASP A 80 1.402 -3.666 12.366 1.00 30.25 C ATOM 1197 O ASP A 80 1.947 -2.725 12.937 1.00 34.14 O ATOM 1198 CB ASP A 80 2.663 -5.857 12.854 1.00 4.12 C ATOM 1199 CG ASP A 80 2.812 -6.995 13.887 1.00 54.13 C ATOM 1200 OD1 ASP A 80 3.153 -6.696 15.053 1.00 15.32 O ATOM 1201 OD2 ASP A 80 2.561 -8.180 13.563 1.00 51.01 O ATOM 0 H ASP A 80 0.418 -6.670 12.107 1.00 44.00 H new ATOM 0 HA ASP A 80 1.246 -4.841 14.131 1.00 21.14 H new ATOM 0 HB2 ASP A 80 2.673 -6.276 11.848 1.00 4.12 H new ATOM 0 HB3 ASP A 80 3.518 -5.185 12.928 1.00 4.12 H new ATOM 1206 N LEU A 81 0.840 -3.543 11.140 1.00 73.41 N ATOM 1207 CA LEU A 81 0.774 -2.236 10.423 1.00 34.32 C ATOM 1208 C LEU A 81 -0.273 -1.288 11.067 1.00 12.10 C ATOM 1209 O LEU A 81 -0.027 -0.086 11.213 1.00 23.53 O ATOM 1210 CB LEU A 81 0.460 -2.433 8.914 1.00 5.04 C ATOM 1211 CG LEU A 81 0.686 -1.190 7.988 1.00 51.32 C ATOM 1212 CD1 LEU A 81 2.170 -0.755 7.977 1.00 21.32 C ATOM 1213 CD2 LEU A 81 0.174 -1.464 6.553 1.00 12.14 C ATOM 0 H LEU A 81 0.428 -4.322 10.626 1.00 73.41 H new ATOM 0 HA LEU A 81 1.757 -1.773 10.512 1.00 34.32 H new ATOM 0 HB2 LEU A 81 1.074 -3.253 8.541 1.00 5.04 H new ATOM 0 HB3 LEU A 81 -0.580 -2.745 8.819 1.00 5.04 H new ATOM 0 HG LEU A 81 0.105 -0.364 8.399 1.00 51.32 H new ATOM 0 HD11 LEU A 81 2.291 0.110 7.325 1.00 21.32 H new ATOM 0 HD12 LEU A 81 2.480 -0.493 8.989 1.00 21.32 H new ATOM 0 HD13 LEU A 81 2.787 -1.575 7.610 1.00 21.32 H new ATOM 0 HD21 LEU A 81 0.344 -0.584 5.932 1.00 12.14 H new ATOM 0 HD22 LEU A 81 0.710 -2.314 6.132 1.00 12.14 H new ATOM 0 HD23 LEU A 81 -0.893 -1.686 6.584 1.00 12.14 H new ATOM 1225 N ALA A 82 -1.439 -1.846 11.446 1.00 41.11 N ATOM 1226 CA ALA A 82 -2.539 -1.075 12.090 1.00 3.25 C ATOM 1227 C ALA A 82 -2.156 -0.583 13.510 1.00 30.32 C ATOM 1228 O ALA A 82 -2.470 0.549 13.900 1.00 14.04 O ATOM 1229 CB ALA A 82 -3.816 -1.933 12.135 1.00 72.12 C ATOM 0 H ALA A 82 -1.652 -2.835 11.319 1.00 41.11 H new ATOM 0 HA ALA A 82 -2.722 -0.185 11.488 1.00 3.25 H new ATOM 0 HB1 ALA A 82 -4.619 -1.366 12.607 1.00 72.12 H new ATOM 0 HB2 ALA A 82 -4.109 -2.202 11.120 1.00 72.12 H new ATOM 0 HB3 ALA A 82 -3.625 -2.839 12.710 1.00 72.12 H new ATOM 1235 N SER A 83 -1.468 -1.449 14.269 1.00 32.00 N ATOM 1236 CA SER A 83 -1.025 -1.152 15.650 1.00 5.31 C ATOM 1237 C SER A 83 0.168 -0.161 15.679 1.00 44.45 C ATOM 1238 O SER A 83 0.205 0.739 16.534 1.00 63.51 O ATOM 1239 CB SER A 83 -0.676 -2.461 16.391 1.00 63.31 C ATOM 1240 OG SER A 83 0.298 -3.217 15.688 1.00 60.32 O ATOM 0 H SER A 83 -1.200 -2.379 13.947 1.00 32.00 H new ATOM 0 HA SER A 83 -1.852 -0.665 16.166 1.00 5.31 H new ATOM 0 HB2 SER A 83 -0.305 -2.227 17.389 1.00 63.31 H new ATOM 0 HB3 SER A 83 -1.578 -3.059 16.519 1.00 63.31 H new ATOM 0 HG SER A 83 -0.132 -3.703 14.954 1.00 60.32 H new ATOM 1246 N GLN A 84 1.153 -0.331 14.756 1.00 73.55 N ATOM 1247 CA GLN A 84 2.268 0.647 14.595 1.00 13.50 C ATOM 1248 C GLN A 84 1.744 2.019 14.095 1.00 45.35 C ATOM 1249 O GLN A 84 2.335 3.037 14.401 1.00 34.24 O ATOM 1250 CB GLN A 84 3.407 0.126 13.659 1.00 14.20 C ATOM 1251 CG GLN A 84 3.096 0.169 12.149 1.00 11.31 C ATOM 1252 CD GLN A 84 4.220 -0.384 11.268 1.00 44.54 C ATOM 1253 OE1 GLN A 84 4.192 -1.677 10.995 1.00 35.31 O flip ATOM 1254 NE2 GLN A 84 5.110 0.341 10.839 1.00 63.31 N flip ATOM 0 H GLN A 84 1.200 -1.126 14.118 1.00 73.55 H new ATOM 0 HA GLN A 84 2.703 0.774 15.586 1.00 13.50 H new ATOM 0 HB2 GLN A 84 4.304 0.716 13.844 1.00 14.20 H new ATOM 0 HB3 GLN A 84 3.639 -0.903 13.935 1.00 14.20 H new ATOM 0 HG2 GLN A 84 2.186 -0.400 11.959 1.00 11.31 H new ATOM 0 HG3 GLN A 84 2.894 1.200 11.859 1.00 11.31 H new ATOM 0 HE21 GLN A 84 5.110 1.336 11.063 1.00 63.31 H new ATOM 0 HE22 GLN A 84 5.851 -0.051 10.257 1.00 63.31 H new ATOM 1263 N CYS A 85 0.639 2.027 13.312 1.00 30.04 N ATOM 1264 CA CYS A 85 0.007 3.288 12.805 1.00 3.33 C ATOM 1265 C CYS A 85 -0.449 4.237 13.946 1.00 61.13 C ATOM 1266 O CYS A 85 -0.620 5.446 13.740 1.00 73.22 O ATOM 1267 CB CYS A 85 -1.178 2.957 11.874 1.00 51.32 C ATOM 1268 SG CYS A 85 -1.871 4.388 11.016 1.00 23.14 S ATOM 0 H CYS A 85 0.160 1.178 13.013 1.00 30.04 H new ATOM 0 HA CYS A 85 0.774 3.821 12.242 1.00 3.33 H new ATOM 0 HB2 CYS A 85 -0.850 2.228 11.133 1.00 51.32 H new ATOM 0 HB3 CYS A 85 -1.965 2.484 12.461 1.00 51.32 H new ATOM 0 HG CYS A 85 -3.019 4.696 11.543 1.00 23.14 H new ATOM 1274 N ALA A 86 -0.635 3.667 15.147 1.00 3.14 N ATOM 1275 CA ALA A 86 -0.932 4.425 16.380 1.00 24.33 C ATOM 1276 C ALA A 86 0.372 4.874 17.105 1.00 14.50 C ATOM 1277 O ALA A 86 0.424 5.956 17.699 1.00 52.30 O ATOM 1278 CB ALA A 86 -1.796 3.552 17.308 1.00 72.23 C ATOM 0 H ALA A 86 -0.584 2.659 15.294 1.00 3.14 H new ATOM 0 HA ALA A 86 -1.477 5.330 16.113 1.00 24.33 H new ATOM 0 HB1 ALA A 86 -2.020 4.103 18.221 1.00 72.23 H new ATOM 0 HB2 ALA A 86 -2.726 3.294 16.802 1.00 72.23 H new ATOM 0 HB3 ALA A 86 -1.254 2.640 17.559 1.00 72.23 H new ATOM 1284 N SER A 87 1.422 4.020 17.045 1.00 24.32 N ATOM 1285 CA SER A 87 2.711 4.222 17.782 1.00 5.24 C ATOM 1286 C SER A 87 3.783 5.006 16.962 1.00 72.21 C ATOM 1287 O SER A 87 4.784 5.464 17.522 1.00 71.21 O ATOM 1288 CB SER A 87 3.279 2.841 18.197 1.00 61.22 C ATOM 1289 OG SER A 87 4.454 2.957 18.998 1.00 41.45 O ATOM 0 H SER A 87 1.407 3.167 16.485 1.00 24.32 H new ATOM 0 HA SER A 87 2.486 4.833 18.656 1.00 5.24 H new ATOM 0 HB2 SER A 87 2.519 2.289 18.749 1.00 61.22 H new ATOM 0 HB3 SER A 87 3.507 2.261 17.303 1.00 61.22 H new ATOM 0 HG SER A 87 4.971 3.738 18.709 1.00 41.45 H new ATOM 1295 N MET A 88 3.572 5.142 15.645 1.00 31.11 N ATOM 1296 CA MET A 88 4.480 5.892 14.733 1.00 33.11 C ATOM 1297 C MET A 88 4.049 7.367 14.654 1.00 2.11 C ATOM 1298 O MET A 88 4.870 8.281 14.763 1.00 14.31 O ATOM 1299 CB MET A 88 4.460 5.271 13.298 1.00 25.22 C ATOM 1300 CG MET A 88 5.178 3.919 13.159 1.00 42.33 C ATOM 1301 SD MET A 88 6.979 4.076 13.197 1.00 71.14 S ATOM 1302 CE MET A 88 7.318 4.895 11.631 1.00 33.22 C ATOM 0 H MET A 88 2.766 4.737 15.170 1.00 31.11 H new ATOM 0 HA MET A 88 5.492 5.827 15.133 1.00 33.11 H new ATOM 0 HB2 MET A 88 3.422 5.147 12.988 1.00 25.22 H new ATOM 0 HB3 MET A 88 4.917 5.979 12.607 1.00 25.22 H new ATOM 0 HG2 MET A 88 4.858 3.258 13.965 1.00 42.33 H new ATOM 0 HG3 MET A 88 4.878 3.448 12.223 1.00 42.33 H new ATOM 0 HE1 MET A 88 8.036 4.306 11.060 1.00 33.22 H new ATOM 0 HE2 MET A 88 6.393 4.990 11.062 1.00 33.22 H new ATOM 0 HE3 MET A 88 7.730 5.886 11.820 1.00 33.22 H new ATOM 1312 N LEU A 89 2.741 7.565 14.453 1.00 3.43 N ATOM 1313 CA LEU A 89 2.133 8.885 14.195 1.00 61.13 C ATOM 1314 C LEU A 89 1.610 9.510 15.509 1.00 74.14 C ATOM 1315 O LEU A 89 1.311 8.779 16.457 1.00 32.24 O ATOM 1316 CB LEU A 89 0.995 8.689 13.157 1.00 4.42 C ATOM 1317 CG LEU A 89 1.407 7.861 11.886 1.00 52.21 C ATOM 1318 CD1 LEU A 89 0.209 7.585 10.962 1.00 21.10 C ATOM 1319 CD2 LEU A 89 2.555 8.549 11.118 1.00 54.23 C ATOM 0 H LEU A 89 2.061 6.805 14.464 1.00 3.43 H new ATOM 0 HA LEU A 89 2.874 9.577 13.795 1.00 61.13 H new ATOM 0 HB2 LEU A 89 0.158 8.190 13.645 1.00 4.42 H new ATOM 0 HB3 LEU A 89 0.639 9.669 12.837 1.00 4.42 H new ATOM 0 HG LEU A 89 1.769 6.895 12.239 1.00 52.21 H new ATOM 0 HD11 LEU A 89 0.541 7.010 10.097 1.00 21.10 H new ATOM 0 HD12 LEU A 89 -0.547 7.018 11.506 1.00 21.10 H new ATOM 0 HD13 LEU A 89 -0.218 8.530 10.627 1.00 21.10 H new ATOM 0 HD21 LEU A 89 2.817 7.952 10.244 1.00 54.23 H new ATOM 0 HD22 LEU A 89 2.235 9.541 10.797 1.00 54.23 H new ATOM 0 HD23 LEU A 89 3.424 8.641 11.769 1.00 54.23 H new ATOM 1331 N ASN A 90 1.529 10.860 15.554 1.00 14.40 N ATOM 1332 CA ASN A 90 1.092 11.635 16.753 1.00 13.32 C ATOM 1333 C ASN A 90 -0.220 11.082 17.380 1.00 40.13 C ATOM 1334 O ASN A 90 -0.300 10.867 18.594 1.00 74.44 O ATOM 1335 CB ASN A 90 0.960 13.148 16.401 1.00 5.52 C ATOM 1336 CG ASN A 90 -0.173 13.480 15.416 1.00 74.34 C ATOM 1337 OD1 ASN A 90 -1.278 13.811 15.809 1.00 32.44 O ATOM 1338 ND2 ASN A 90 0.078 13.359 14.130 1.00 41.14 N ATOM 0 H ASN A 90 1.765 11.452 14.758 1.00 14.40 H new ATOM 0 HA ASN A 90 1.864 11.518 17.514 1.00 13.32 H new ATOM 0 HB2 ASN A 90 0.799 13.709 17.322 1.00 5.52 H new ATOM 0 HB3 ASN A 90 1.904 13.493 15.978 1.00 5.52 H new ATOM 0 HD21 ASN A 90 -0.657 13.543 13.447 1.00 41.14 H new ATOM 0 HD22 ASN A 90 1.008 13.081 13.816 1.00 41.14 H new ATOM 1345 N VAL A 91 -1.220 10.834 16.526 1.00 74.22 N ATOM 1346 CA VAL A 91 -2.481 10.160 16.896 1.00 61.25 C ATOM 1347 C VAL A 91 -2.615 8.832 16.133 1.00 21.41 C ATOM 1348 O VAL A 91 -1.803 8.514 15.249 1.00 72.31 O ATOM 1349 CB VAL A 91 -3.743 11.057 16.587 1.00 13.34 C ATOM 1350 CG1 VAL A 91 -3.754 12.331 17.462 1.00 12.14 C ATOM 1351 CG2 VAL A 91 -3.831 11.404 15.076 1.00 75.35 C ATOM 0 H VAL A 91 -1.180 11.098 15.542 1.00 74.22 H new ATOM 0 HA VAL A 91 -2.444 9.977 17.970 1.00 61.25 H new ATOM 0 HB VAL A 91 -4.631 10.478 16.842 1.00 13.34 H new ATOM 0 HG11 VAL A 91 -4.635 12.927 17.225 1.00 12.14 H new ATOM 0 HG12 VAL A 91 -3.778 12.049 18.515 1.00 12.14 H new ATOM 0 HG13 VAL A 91 -2.856 12.916 17.264 1.00 12.14 H new ATOM 0 HG21 VAL A 91 -4.710 12.022 14.895 1.00 75.35 H new ATOM 0 HG22 VAL A 91 -2.936 11.949 14.775 1.00 75.35 H new ATOM 0 HG23 VAL A 91 -3.908 10.485 14.495 1.00 75.35 H new ATOM 1361 N ALA A 92 -3.651 8.059 16.485 1.00 42.42 N ATOM 1362 CA ALA A 92 -4.045 6.875 15.712 1.00 51.35 C ATOM 1363 C ALA A 92 -4.726 7.295 14.390 1.00 3.23 C ATOM 1364 O ALA A 92 -5.903 7.688 14.374 1.00 4.01 O ATOM 1365 CB ALA A 92 -4.963 5.968 16.543 1.00 22.14 C ATOM 0 H ALA A 92 -4.233 8.234 17.304 1.00 42.42 H new ATOM 0 HA ALA A 92 -3.148 6.307 15.465 1.00 51.35 H new ATOM 0 HB1 ALA A 92 -5.244 5.096 15.953 1.00 22.14 H new ATOM 0 HB2 ALA A 92 -4.438 5.644 17.442 1.00 22.14 H new ATOM 0 HB3 ALA A 92 -5.860 6.519 16.826 1.00 22.14 H new ATOM 1371 N LEU A 93 -3.955 7.245 13.290 1.00 44.45 N ATOM 1372 CA LEU A 93 -4.506 7.399 11.932 1.00 64.14 C ATOM 1373 C LEU A 93 -5.205 6.069 11.597 1.00 71.15 C ATOM 1374 O LEU A 93 -4.646 4.994 11.837 1.00 11.11 O ATOM 1375 CB LEU A 93 -3.372 7.756 10.912 1.00 11.21 C ATOM 1376 CG LEU A 93 -3.790 8.337 9.502 1.00 23.12 C ATOM 1377 CD1 LEU A 93 -2.565 8.944 8.771 1.00 10.35 C ATOM 1378 CD2 LEU A 93 -4.473 7.285 8.584 1.00 24.33 C ATOM 0 H LEU A 93 -2.946 7.099 13.315 1.00 44.45 H new ATOM 0 HA LEU A 93 -5.220 8.220 11.873 1.00 64.14 H new ATOM 0 HB2 LEU A 93 -2.712 8.481 11.388 1.00 11.21 H new ATOM 0 HB3 LEU A 93 -2.784 6.855 10.739 1.00 11.21 H new ATOM 0 HG LEU A 93 -4.524 9.116 9.705 1.00 23.12 H new ATOM 0 HD11 LEU A 93 -2.877 9.337 7.803 1.00 10.35 H new ATOM 0 HD12 LEU A 93 -2.145 9.750 9.372 1.00 10.35 H new ATOM 0 HD13 LEU A 93 -1.810 8.172 8.622 1.00 10.35 H new ATOM 0 HD21 LEU A 93 -4.735 7.748 7.632 1.00 24.33 H new ATOM 0 HD22 LEU A 93 -3.788 6.456 8.408 1.00 24.33 H new ATOM 0 HD23 LEU A 93 -5.376 6.912 9.067 1.00 24.33 H new ATOM 1390 N ARG A 94 -6.447 6.149 11.103 1.00 15.41 N ATOM 1391 CA ARG A 94 -7.272 4.958 10.810 1.00 0.40 C ATOM 1392 C ARG A 94 -7.386 4.695 9.286 1.00 73.23 C ATOM 1393 O ARG A 94 -8.204 5.317 8.595 1.00 3.22 O ATOM 1394 CB ARG A 94 -8.681 5.092 11.467 1.00 23.13 C ATOM 1395 CG ARG A 94 -9.415 6.435 11.215 1.00 53.53 C ATOM 1396 CD ARG A 94 -10.909 6.373 11.597 1.00 24.11 C ATOM 1397 NE ARG A 94 -11.113 5.781 12.936 1.00 74.12 N ATOM 1398 CZ ARG A 94 -11.747 6.334 13.941 1.00 25.31 C ATOM 1399 NH1 ARG A 94 -12.182 7.554 13.873 1.00 51.40 N ATOM 1400 NH2 ARG A 94 -11.892 5.666 15.038 1.00 0.12 N ATOM 0 H ARG A 94 -6.911 7.033 10.894 1.00 15.41 H new ATOM 0 HA ARG A 94 -6.771 4.093 11.245 1.00 0.40 H new ATOM 0 HB2 ARG A 94 -9.311 4.281 11.102 1.00 23.13 H new ATOM 0 HB3 ARG A 94 -8.575 4.953 12.543 1.00 23.13 H new ATOM 0 HG2 ARG A 94 -8.929 7.224 11.789 1.00 53.53 H new ATOM 0 HG3 ARG A 94 -9.323 6.704 10.163 1.00 53.53 H new ATOM 0 HD2 ARG A 94 -11.331 7.378 11.577 1.00 24.11 H new ATOM 0 HD3 ARG A 94 -11.449 5.786 10.855 1.00 24.11 H new ATOM 0 HE ARG A 94 -10.722 4.852 13.093 1.00 74.12 H new ATOM 0 HH11 ARG A 94 -12.033 8.102 13.026 1.00 51.40 H new ATOM 0 HH12 ARG A 94 -12.673 7.965 14.667 1.00 51.40 H new ATOM 0 HH21 ARG A 94 -11.515 4.721 15.113 1.00 0.12 H new ATOM 0 HH22 ARG A 94 -12.383 6.084 15.828 1.00 0.12 H new ATOM 1414 N PRO A 95 -6.527 3.802 8.711 1.00 44.32 N ATOM 1415 CA PRO A 95 -6.742 3.273 7.363 1.00 14.14 C ATOM 1416 C PRO A 95 -7.607 1.988 7.377 1.00 10.15 C ATOM 1417 O PRO A 95 -7.782 1.330 8.411 1.00 24.42 O ATOM 1418 CB PRO A 95 -5.298 3.015 6.873 1.00 24.22 C ATOM 1419 CG PRO A 95 -4.526 2.649 8.115 1.00 44.20 C ATOM 1420 CD PRO A 95 -5.262 3.276 9.297 1.00 44.32 C ATOM 0 HA PRO A 95 -7.297 3.948 6.711 1.00 14.14 H new ATOM 0 HB2 PRO A 95 -5.268 2.211 6.138 1.00 24.22 H new ATOM 0 HB3 PRO A 95 -4.879 3.900 6.394 1.00 24.22 H new ATOM 0 HG2 PRO A 95 -4.467 1.566 8.228 1.00 44.20 H new ATOM 0 HG3 PRO A 95 -3.503 3.020 8.057 1.00 44.20 H new ATOM 0 HD2 PRO A 95 -5.461 2.540 10.076 1.00 44.32 H new ATOM 0 HD3 PRO A 95 -4.674 4.073 9.753 1.00 44.32 H new ATOM 1428 N GLU A 96 -8.161 1.662 6.218 1.00 64.01 N ATOM 1429 CA GLU A 96 -8.903 0.417 6.000 1.00 11.14 C ATOM 1430 C GLU A 96 -7.936 -0.654 5.476 1.00 1.23 C ATOM 1431 O GLU A 96 -7.044 -0.349 4.676 1.00 52.23 O ATOM 1432 CB GLU A 96 -10.068 0.661 5.009 1.00 33.22 C ATOM 1433 CG GLU A 96 -11.145 1.635 5.526 1.00 65.31 C ATOM 1434 CD GLU A 96 -11.804 1.168 6.839 1.00 4.32 C ATOM 1435 OE1 GLU A 96 -12.637 0.235 6.801 1.00 3.44 O ATOM 1436 OE2 GLU A 96 -11.458 1.692 7.921 1.00 10.20 O ATOM 0 H GLU A 96 -8.111 2.257 5.391 1.00 64.01 H new ATOM 0 HA GLU A 96 -9.336 0.068 6.938 1.00 11.14 H new ATOM 0 HB2 GLU A 96 -9.661 1.050 4.076 1.00 33.22 H new ATOM 0 HB3 GLU A 96 -10.539 -0.294 4.778 1.00 33.22 H new ATOM 0 HG2 GLU A 96 -10.695 2.615 5.681 1.00 65.31 H new ATOM 0 HG3 GLU A 96 -11.914 1.755 4.763 1.00 65.31 H new ATOM 1443 N MET A 97 -8.100 -1.907 5.933 1.00 51.11 N ATOM 1444 CA MET A 97 -7.204 -3.030 5.550 1.00 54.34 C ATOM 1445 C MET A 97 -8.012 -4.313 5.263 1.00 42.40 C ATOM 1446 O MET A 97 -8.751 -4.793 6.126 1.00 70.22 O ATOM 1447 CB MET A 97 -6.154 -3.304 6.663 1.00 23.14 C ATOM 1448 CG MET A 97 -5.178 -2.161 6.919 1.00 2.43 C ATOM 1449 SD MET A 97 -3.988 -2.559 8.207 1.00 70.32 S ATOM 1450 CE MET A 97 -3.146 -0.993 8.358 1.00 54.53 C ATOM 0 H MET A 97 -8.848 -2.176 6.573 1.00 51.11 H new ATOM 0 HA MET A 97 -6.682 -2.738 4.639 1.00 54.34 H new ATOM 0 HB2 MET A 97 -6.680 -3.528 7.591 1.00 23.14 H new ATOM 0 HB3 MET A 97 -5.586 -4.195 6.395 1.00 23.14 H new ATOM 0 HG2 MET A 97 -4.647 -1.925 5.997 1.00 2.43 H new ATOM 0 HG3 MET A 97 -5.734 -1.268 7.204 1.00 2.43 H new ATOM 0 HE1 MET A 97 -2.109 -1.164 8.648 1.00 54.53 H new ATOM 0 HE2 MET A 97 -3.174 -0.471 7.402 1.00 54.53 H new ATOM 0 HE3 MET A 97 -3.640 -0.386 9.117 1.00 54.53 H new ATOM 1460 N GLN A 98 -7.854 -4.862 4.045 1.00 10.44 N ATOM 1461 CA GLN A 98 -8.458 -6.157 3.637 1.00 14.44 C ATOM 1462 C GLN A 98 -7.389 -7.060 2.986 1.00 20.31 C ATOM 1463 O GLN A 98 -6.591 -6.600 2.168 1.00 4.22 O ATOM 1464 CB GLN A 98 -9.649 -5.938 2.651 1.00 42.15 C ATOM 1465 CG GLN A 98 -10.939 -5.361 3.282 1.00 41.41 C ATOM 1466 CD GLN A 98 -11.603 -6.312 4.284 1.00 3.10 C ATOM 1467 OE1 GLN A 98 -12.416 -7.154 3.916 1.00 25.21 O ATOM 1468 NE2 GLN A 98 -11.288 -6.173 5.560 1.00 30.12 N ATOM 0 H GLN A 98 -7.302 -4.423 3.308 1.00 10.44 H new ATOM 0 HA GLN A 98 -8.844 -6.647 4.531 1.00 14.44 H new ATOM 0 HB2 GLN A 98 -9.322 -5.266 1.857 1.00 42.15 H new ATOM 0 HB3 GLN A 98 -9.890 -6.892 2.182 1.00 42.15 H new ATOM 0 HG2 GLN A 98 -10.701 -4.423 3.785 1.00 41.41 H new ATOM 0 HG3 GLN A 98 -11.649 -5.126 2.489 1.00 41.41 H new ATOM 0 HE21 GLN A 98 -10.609 -5.466 5.844 1.00 30.12 H new ATOM 0 HE22 GLN A 98 -11.723 -6.772 6.261 1.00 30.12 H new ATOM 1477 N LEU A 99 -7.394 -8.351 3.348 1.00 13.22 N ATOM 1478 CA LEU A 99 -6.462 -9.353 2.800 1.00 1.53 C ATOM 1479 C LEU A 99 -7.094 -9.982 1.549 1.00 60.20 C ATOM 1480 O LEU A 99 -8.066 -10.743 1.646 1.00 34.22 O ATOM 1481 CB LEU A 99 -6.124 -10.418 3.878 1.00 44.10 C ATOM 1482 CG LEU A 99 -5.244 -9.901 5.062 1.00 44.44 C ATOM 1483 CD1 LEU A 99 -5.130 -10.949 6.186 1.00 23.23 C ATOM 1484 CD2 LEU A 99 -3.843 -9.471 4.566 1.00 33.41 C ATOM 0 H LEU A 99 -8.047 -8.733 4.032 1.00 13.22 H new ATOM 0 HA LEU A 99 -5.523 -8.880 2.514 1.00 1.53 H new ATOM 0 HB2 LEU A 99 -7.056 -10.812 4.283 1.00 44.10 H new ATOM 0 HB3 LEU A 99 -5.608 -11.249 3.397 1.00 44.10 H new ATOM 0 HG LEU A 99 -5.742 -9.025 5.479 1.00 44.44 H new ATOM 0 HD11 LEU A 99 -4.511 -10.553 6.991 1.00 23.23 H new ATOM 0 HD12 LEU A 99 -6.123 -11.179 6.572 1.00 23.23 H new ATOM 0 HD13 LEU A 99 -4.675 -11.858 5.792 1.00 23.23 H new ATOM 0 HD21 LEU A 99 -3.252 -9.116 5.410 1.00 33.41 H new ATOM 0 HD22 LEU A 99 -3.343 -10.323 4.105 1.00 33.41 H new ATOM 0 HD23 LEU A 99 -3.946 -8.671 3.833 1.00 33.41 H new ATOM 1496 N GLU A 100 -6.527 -9.661 0.378 1.00 40.33 N ATOM 1497 CA GLU A 100 -7.163 -9.936 -0.926 1.00 33.50 C ATOM 1498 C GLU A 100 -6.326 -10.941 -1.744 1.00 22.22 C ATOM 1499 O GLU A 100 -5.128 -10.746 -1.957 1.00 62.32 O ATOM 1500 CB GLU A 100 -7.374 -8.592 -1.707 1.00 31.23 C ATOM 1501 CG GLU A 100 -8.696 -8.507 -2.498 1.00 42.23 C ATOM 1502 CD GLU A 100 -8.835 -9.585 -3.589 1.00 30.33 C ATOM 1503 OE1 GLU A 100 -8.168 -9.462 -4.637 1.00 30.00 O ATOM 1504 OE2 GLU A 100 -9.580 -10.573 -3.389 1.00 12.40 O ATOM 0 H GLU A 100 -5.618 -9.205 0.304 1.00 40.33 H new ATOM 0 HA GLU A 100 -8.139 -10.391 -0.757 1.00 33.50 H new ATOM 0 HB2 GLU A 100 -7.337 -7.766 -0.997 1.00 31.23 H new ATOM 0 HB3 GLU A 100 -6.543 -8.455 -2.399 1.00 31.23 H new ATOM 0 HG2 GLU A 100 -9.531 -8.596 -1.803 1.00 42.23 H new ATOM 0 HG3 GLU A 100 -8.770 -7.523 -2.961 1.00 42.23 H new ATOM 1511 N GLN A 101 -6.995 -11.998 -2.225 1.00 41.13 N ATOM 1512 CA GLN A 101 -6.345 -13.132 -2.905 1.00 41.14 C ATOM 1513 C GLN A 101 -6.489 -13.038 -4.442 1.00 32.21 C ATOM 1514 O GLN A 101 -7.597 -12.952 -4.977 1.00 42.21 O ATOM 1515 CB GLN A 101 -6.912 -14.484 -2.384 1.00 71.31 C ATOM 1516 CG GLN A 101 -6.667 -14.771 -0.876 1.00 51.11 C ATOM 1517 CD GLN A 101 -7.503 -13.909 0.088 1.00 54.33 C ATOM 1518 OE1 GLN A 101 -8.613 -13.498 -0.225 1.00 22.53 O ATOM 1519 NE2 GLN A 101 -6.988 -13.650 1.272 1.00 14.33 N ATOM 0 H GLN A 101 -8.008 -12.093 -2.154 1.00 41.13 H new ATOM 0 HA GLN A 101 -5.281 -13.086 -2.671 1.00 41.14 H new ATOM 0 HB2 GLN A 101 -7.986 -14.505 -2.571 1.00 71.31 H new ATOM 0 HB3 GLN A 101 -6.471 -15.293 -2.967 1.00 71.31 H new ATOM 0 HG2 GLN A 101 -6.881 -15.822 -0.681 1.00 51.11 H new ATOM 0 HG3 GLN A 101 -5.611 -14.615 -0.658 1.00 51.11 H new ATOM 0 HE21 GLN A 101 -6.061 -14.002 1.513 1.00 14.33 H new ATOM 0 HE22 GLN A 101 -7.516 -13.098 1.948 1.00 14.33 H new ATOM 1528 N VAL A 102 -5.335 -13.057 -5.135 1.00 72.31 N ATOM 1529 CA VAL A 102 -5.238 -12.997 -6.608 1.00 4.45 C ATOM 1530 C VAL A 102 -4.299 -14.117 -7.120 1.00 12.44 C ATOM 1531 O VAL A 102 -3.131 -14.167 -6.732 1.00 13.12 O ATOM 1532 CB VAL A 102 -4.701 -11.594 -7.087 1.00 22.24 C ATOM 1533 CG1 VAL A 102 -4.573 -11.533 -8.632 1.00 52.21 C ATOM 1534 CG2 VAL A 102 -5.583 -10.446 -6.546 1.00 11.45 C ATOM 0 H VAL A 102 -4.425 -13.116 -4.678 1.00 72.31 H new ATOM 0 HA VAL A 102 -6.237 -13.140 -7.019 1.00 4.45 H new ATOM 0 HB VAL A 102 -3.701 -11.464 -6.674 1.00 22.24 H new ATOM 0 HG11 VAL A 102 -4.200 -10.552 -8.928 1.00 52.21 H new ATOM 0 HG12 VAL A 102 -3.879 -12.302 -8.970 1.00 52.21 H new ATOM 0 HG13 VAL A 102 -5.550 -11.702 -9.085 1.00 52.21 H new ATOM 0 HG21 VAL A 102 -5.189 -9.490 -6.892 1.00 11.45 H new ATOM 0 HG22 VAL A 102 -6.604 -10.570 -6.908 1.00 11.45 H new ATOM 0 HG23 VAL A 102 -5.579 -10.467 -5.456 1.00 11.45 H new ATOM 1544 N GLY A 103 -4.821 -14.996 -8.012 1.00 15.23 N ATOM 1545 CA GLY A 103 -4.064 -16.147 -8.561 1.00 61.41 C ATOM 1546 C GLY A 103 -3.450 -17.105 -7.517 1.00 33.41 C ATOM 1547 O GLY A 103 -2.435 -17.760 -7.787 1.00 23.14 O ATOM 0 H GLY A 103 -5.774 -14.927 -8.369 1.00 15.23 H new ATOM 0 HA2 GLY A 103 -4.729 -16.721 -9.206 1.00 61.41 H new ATOM 0 HA3 GLY A 103 -3.261 -15.763 -9.191 1.00 61.41 H new ATOM 1551 N GLY A 104 -4.091 -17.205 -6.336 1.00 21.15 N ATOM 1552 CA GLY A 104 -3.589 -18.039 -5.224 1.00 71.10 C ATOM 1553 C GLY A 104 -2.605 -17.332 -4.272 1.00 2.45 C ATOM 1554 O GLY A 104 -2.047 -17.974 -3.376 1.00 52.23 O ATOM 0 H GLY A 104 -4.961 -16.716 -6.126 1.00 21.15 H new ATOM 0 HA2 GLY A 104 -4.440 -18.395 -4.644 1.00 71.10 H new ATOM 0 HA3 GLY A 104 -3.098 -18.918 -5.642 1.00 71.10 H new ATOM 1558 N LYS A 105 -2.383 -16.016 -4.467 1.00 43.14 N ATOM 1559 CA LYS A 105 -1.479 -15.194 -3.617 1.00 40.55 C ATOM 1560 C LYS A 105 -2.310 -14.239 -2.734 1.00 22.44 C ATOM 1561 O LYS A 105 -3.209 -13.590 -3.240 1.00 41.41 O ATOM 1562 CB LYS A 105 -0.511 -14.338 -4.490 1.00 2.34 C ATOM 1563 CG LYS A 105 0.490 -15.117 -5.381 1.00 51.52 C ATOM 1564 CD LYS A 105 -0.141 -15.718 -6.654 1.00 74.22 C ATOM 1565 CE LYS A 105 0.902 -16.294 -7.622 1.00 53.20 C ATOM 1566 NZ LYS A 105 1.790 -17.299 -6.974 1.00 54.33 N ATOM 0 H LYS A 105 -2.824 -15.486 -5.219 1.00 43.14 H new ATOM 0 HA LYS A 105 -0.897 -15.876 -2.997 1.00 40.55 H new ATOM 0 HB2 LYS A 105 -1.111 -13.695 -5.133 1.00 2.34 H new ATOM 0 HB3 LYS A 105 0.058 -13.685 -3.828 1.00 2.34 H new ATOM 0 HG2 LYS A 105 1.300 -14.448 -5.670 1.00 51.52 H new ATOM 0 HG3 LYS A 105 0.935 -15.921 -4.794 1.00 51.52 H new ATOM 0 HD2 LYS A 105 -0.840 -16.505 -6.370 1.00 74.22 H new ATOM 0 HD3 LYS A 105 -0.718 -14.948 -7.166 1.00 74.22 H new ATOM 0 HE2 LYS A 105 0.392 -16.756 -8.467 1.00 53.20 H new ATOM 0 HE3 LYS A 105 1.509 -15.482 -8.022 1.00 53.20 H new ATOM 0 HZ1 LYS A 105 2.442 -17.694 -7.682 1.00 54.33 H new ATOM 0 HZ2 LYS A 105 2.337 -16.842 -6.216 1.00 54.33 H new ATOM 0 HZ3 LYS A 105 1.212 -18.064 -6.571 1.00 54.33 H new ATOM 1580 N THR A 106 -1.991 -14.119 -1.432 1.00 42.40 N ATOM 1581 CA THR A 106 -2.712 -13.192 -0.513 1.00 25.22 C ATOM 1582 C THR A 106 -1.931 -11.865 -0.355 1.00 4.25 C ATOM 1583 O THR A 106 -0.755 -11.872 -0.017 1.00 21.44 O ATOM 1584 CB THR A 106 -2.946 -13.826 0.903 1.00 72.02 C ATOM 1585 OG1 THR A 106 -3.646 -15.070 0.766 1.00 50.24 O ATOM 1586 CG2 THR A 106 -3.755 -12.899 1.838 1.00 2.25 C ATOM 0 H THR A 106 -1.242 -14.647 -0.985 1.00 42.40 H new ATOM 0 HA THR A 106 -3.685 -12.997 -0.963 1.00 25.22 H new ATOM 0 HB THR A 106 -1.964 -13.981 1.350 1.00 72.02 H new ATOM 0 HG1 THR A 106 -3.789 -15.464 1.652 1.00 50.24 H new ATOM 0 HG21 THR A 106 -3.889 -13.385 2.805 1.00 2.25 H new ATOM 0 HG22 THR A 106 -3.217 -11.961 1.975 1.00 2.25 H new ATOM 0 HG23 THR A 106 -4.730 -12.697 1.395 1.00 2.25 H new ATOM 1594 N LEU A 107 -2.624 -10.734 -0.547 1.00 34.01 N ATOM 1595 CA LEU A 107 -2.038 -9.373 -0.493 1.00 64.13 C ATOM 1596 C LEU A 107 -2.758 -8.559 0.597 1.00 71.31 C ATOM 1597 O LEU A 107 -3.762 -9.013 1.146 1.00 2.31 O ATOM 1598 CB LEU A 107 -2.153 -8.629 -1.863 1.00 42.43 C ATOM 1599 CG LEU A 107 -1.264 -9.162 -3.043 1.00 72.23 C ATOM 1600 CD1 LEU A 107 -1.845 -10.444 -3.691 1.00 34.15 C ATOM 1601 CD2 LEU A 107 -1.029 -8.059 -4.099 1.00 2.22 C ATOM 0 H LEU A 107 -3.624 -10.731 -0.748 1.00 34.01 H new ATOM 0 HA LEU A 107 -0.977 -9.471 -0.261 1.00 64.13 H new ATOM 0 HB2 LEU A 107 -3.195 -8.665 -2.181 1.00 42.43 H new ATOM 0 HB3 LEU A 107 -1.906 -7.580 -1.700 1.00 42.43 H new ATOM 0 HG LEU A 107 -0.300 -9.438 -2.615 1.00 72.23 H new ATOM 0 HD11 LEU A 107 -1.192 -10.770 -4.501 1.00 34.15 H new ATOM 0 HD12 LEU A 107 -1.914 -11.232 -2.941 1.00 34.15 H new ATOM 0 HD13 LEU A 107 -2.838 -10.233 -4.088 1.00 34.15 H new ATOM 0 HD21 LEU A 107 -0.411 -8.453 -4.906 1.00 2.22 H new ATOM 0 HD22 LEU A 107 -1.987 -7.732 -4.503 1.00 2.22 H new ATOM 0 HD23 LEU A 107 -0.523 -7.213 -3.635 1.00 2.22 H new ATOM 1613 N LEU A 108 -2.248 -7.358 0.915 1.00 30.35 N ATOM 1614 CA LEU A 108 -2.957 -6.417 1.805 1.00 22.22 C ATOM 1615 C LEU A 108 -3.300 -5.121 1.043 1.00 12.14 C ATOM 1616 O LEU A 108 -2.407 -4.385 0.607 1.00 64.32 O ATOM 1617 CB LEU A 108 -2.139 -6.092 3.087 1.00 74.15 C ATOM 1618 CG LEU A 108 -2.879 -5.183 4.132 1.00 52.02 C ATOM 1619 CD1 LEU A 108 -4.180 -5.844 4.640 1.00 34.12 C ATOM 1620 CD2 LEU A 108 -1.957 -4.799 5.309 1.00 12.24 C ATOM 0 H LEU A 108 -1.351 -7.014 0.572 1.00 30.35 H new ATOM 0 HA LEU A 108 -3.879 -6.902 2.126 1.00 22.22 H new ATOM 0 HB2 LEU A 108 -1.865 -7.029 3.572 1.00 74.15 H new ATOM 0 HB3 LEU A 108 -1.211 -5.601 2.793 1.00 74.15 H new ATOM 0 HG LEU A 108 -3.154 -4.263 3.615 1.00 52.02 H new ATOM 0 HD11 LEU A 108 -4.665 -5.186 5.361 1.00 34.12 H new ATOM 0 HD12 LEU A 108 -4.852 -6.019 3.799 1.00 34.12 H new ATOM 0 HD13 LEU A 108 -3.943 -6.794 5.118 1.00 34.12 H new ATOM 0 HD21 LEU A 108 -2.505 -4.170 6.010 1.00 12.24 H new ATOM 0 HD22 LEU A 108 -1.621 -5.703 5.818 1.00 12.24 H new ATOM 0 HD23 LEU A 108 -1.093 -4.253 4.931 1.00 12.24 H new ATOM 1632 N VAL A 109 -4.604 -4.883 0.870 1.00 42.32 N ATOM 1633 CA VAL A 109 -5.137 -3.613 0.368 1.00 74.52 C ATOM 1634 C VAL A 109 -5.227 -2.622 1.547 1.00 23.43 C ATOM 1635 O VAL A 109 -5.980 -2.853 2.496 1.00 32.45 O ATOM 1636 CB VAL A 109 -6.568 -3.806 -0.271 1.00 23.42 C ATOM 1637 CG1 VAL A 109 -7.185 -2.456 -0.722 1.00 2.44 C ATOM 1638 CG2 VAL A 109 -6.527 -4.815 -1.444 1.00 3.22 C ATOM 0 H VAL A 109 -5.326 -5.573 1.077 1.00 42.32 H new ATOM 0 HA VAL A 109 -4.473 -3.231 -0.407 1.00 74.52 H new ATOM 0 HB VAL A 109 -7.213 -4.217 0.506 1.00 23.42 H new ATOM 0 HG11 VAL A 109 -8.169 -2.633 -1.156 1.00 2.44 H new ATOM 0 HG12 VAL A 109 -7.282 -1.794 0.139 1.00 2.44 H new ATOM 0 HG13 VAL A 109 -6.538 -1.991 -1.466 1.00 2.44 H new ATOM 0 HG21 VAL A 109 -7.527 -4.927 -1.863 1.00 3.22 H new ATOM 0 HG22 VAL A 109 -5.849 -4.449 -2.215 1.00 3.22 H new ATOM 0 HG23 VAL A 109 -6.176 -5.781 -1.081 1.00 3.22 H new ATOM 1648 N VAL A 110 -4.415 -1.556 1.509 1.00 23.21 N ATOM 1649 CA VAL A 110 -4.473 -0.475 2.512 1.00 34.01 C ATOM 1650 C VAL A 110 -5.092 0.789 1.881 1.00 64.14 C ATOM 1651 O VAL A 110 -4.429 1.519 1.146 1.00 73.54 O ATOM 1652 CB VAL A 110 -3.045 -0.138 3.095 1.00 11.01 C ATOM 1653 CG1 VAL A 110 -3.120 0.910 4.241 1.00 2.42 C ATOM 1654 CG2 VAL A 110 -2.314 -1.418 3.560 1.00 61.15 C ATOM 0 H VAL A 110 -3.705 -1.416 0.791 1.00 23.21 H new ATOM 0 HA VAL A 110 -5.096 -0.820 3.338 1.00 34.01 H new ATOM 0 HB VAL A 110 -2.465 0.306 2.286 1.00 11.01 H new ATOM 0 HG11 VAL A 110 -2.116 1.114 4.614 1.00 2.42 H new ATOM 0 HG12 VAL A 110 -3.560 1.832 3.862 1.00 2.42 H new ATOM 0 HG13 VAL A 110 -3.736 0.520 5.051 1.00 2.42 H new ATOM 0 HG21 VAL A 110 -1.334 -1.153 3.956 1.00 61.15 H new ATOM 0 HG22 VAL A 110 -2.899 -1.909 4.337 1.00 61.15 H new ATOM 0 HG23 VAL A 110 -2.193 -2.095 2.715 1.00 61.15 H new ATOM 1664 N TYR A 111 -6.378 1.029 2.164 1.00 62.04 N ATOM 1665 CA TYR A 111 -7.066 2.271 1.770 1.00 54.33 C ATOM 1666 C TYR A 111 -6.816 3.337 2.847 1.00 50.44 C ATOM 1667 O TYR A 111 -7.173 3.148 4.000 1.00 44.44 O ATOM 1668 CB TYR A 111 -8.585 2.019 1.580 1.00 74.32 C ATOM 1669 CG TYR A 111 -9.408 3.291 1.296 1.00 15.43 C ATOM 1670 CD1 TYR A 111 -9.244 4.006 0.107 1.00 71.41 C ATOM 1671 CD2 TYR A 111 -10.332 3.785 2.224 1.00 43.15 C ATOM 1672 CE1 TYR A 111 -9.968 5.155 -0.145 1.00 65.24 C ATOM 1673 CE2 TYR A 111 -11.051 4.937 1.974 1.00 14.41 C ATOM 1674 CZ TYR A 111 -10.869 5.618 0.791 1.00 21.12 C ATOM 1675 OH TYR A 111 -11.586 6.775 0.553 1.00 24.55 O ATOM 0 H TYR A 111 -6.972 0.372 2.671 1.00 62.04 H new ATOM 0 HA TYR A 111 -6.672 2.622 0.816 1.00 54.33 H new ATOM 0 HB2 TYR A 111 -8.725 1.318 0.757 1.00 74.32 H new ATOM 0 HB3 TYR A 111 -8.977 1.539 2.477 1.00 74.32 H new ATOM 0 HD1 TYR A 111 -8.537 3.653 -0.630 1.00 71.41 H new ATOM 0 HD2 TYR A 111 -10.485 3.255 3.153 1.00 43.15 H new ATOM 0 HE1 TYR A 111 -9.829 5.690 -1.073 1.00 65.24 H new ATOM 0 HE2 TYR A 111 -11.756 5.304 2.706 1.00 14.41 H new ATOM 0 HH TYR A 111 -12.176 6.957 1.314 1.00 24.55 H new ATOM 1685 N VAL A 112 -6.199 4.454 2.466 1.00 55.21 N ATOM 1686 CA VAL A 112 -5.862 5.540 3.396 1.00 42.53 C ATOM 1687 C VAL A 112 -6.781 6.761 3.127 1.00 51.51 C ATOM 1688 O VAL A 112 -6.532 7.526 2.186 1.00 45.51 O ATOM 1689 CB VAL A 112 -4.352 5.949 3.264 1.00 34.30 C ATOM 1690 CG1 VAL A 112 -3.975 7.010 4.320 1.00 55.54 C ATOM 1691 CG2 VAL A 112 -3.411 4.716 3.340 1.00 10.14 C ATOM 0 H VAL A 112 -5.916 4.636 1.503 1.00 55.21 H new ATOM 0 HA VAL A 112 -6.022 5.187 4.415 1.00 42.53 H new ATOM 0 HB VAL A 112 -4.217 6.392 2.277 1.00 34.30 H new ATOM 0 HG11 VAL A 112 -2.924 7.277 4.208 1.00 55.54 H new ATOM 0 HG12 VAL A 112 -4.592 7.898 4.180 1.00 55.54 H new ATOM 0 HG13 VAL A 112 -4.142 6.605 5.318 1.00 55.54 H new ATOM 0 HG21 VAL A 112 -2.375 5.042 3.245 1.00 10.14 H new ATOM 0 HG22 VAL A 112 -3.546 4.213 4.298 1.00 10.14 H new ATOM 0 HG23 VAL A 112 -3.650 4.026 2.531 1.00 10.14 H new ATOM 1701 N PRO A 113 -7.885 6.941 3.928 1.00 61.20 N ATOM 1702 CA PRO A 113 -8.848 8.054 3.731 1.00 21.14 C ATOM 1703 C PRO A 113 -8.361 9.404 4.328 1.00 2.31 C ATOM 1704 O PRO A 113 -7.458 9.436 5.173 1.00 73.30 O ATOM 1705 CB PRO A 113 -10.102 7.530 4.463 1.00 50.24 C ATOM 1706 CG PRO A 113 -9.555 6.720 5.605 1.00 1.10 C ATOM 1707 CD PRO A 113 -8.282 6.077 5.083 1.00 53.34 C ATOM 0 HA PRO A 113 -9.007 8.288 2.678 1.00 21.14 H new ATOM 0 HB2 PRO A 113 -10.726 8.350 4.820 1.00 50.24 H new ATOM 0 HB3 PRO A 113 -10.722 6.921 3.804 1.00 50.24 H new ATOM 0 HG2 PRO A 113 -9.348 7.352 6.469 1.00 1.10 H new ATOM 0 HG3 PRO A 113 -10.271 5.964 5.927 1.00 1.10 H new ATOM 0 HD2 PRO A 113 -7.506 6.052 5.848 1.00 53.34 H new ATOM 0 HD3 PRO A 113 -8.455 5.047 4.770 1.00 53.34 H new ATOM 1715 N GLU A 114 -8.985 10.512 3.881 1.00 35.40 N ATOM 1716 CA GLU A 114 -8.680 11.871 4.379 1.00 60.53 C ATOM 1717 C GLU A 114 -9.238 12.096 5.814 1.00 2.21 C ATOM 1718 O GLU A 114 -10.426 11.873 6.078 1.00 45.32 O ATOM 1719 CB GLU A 114 -9.207 12.940 3.366 1.00 54.34 C ATOM 1720 CG GLU A 114 -9.457 14.347 3.952 1.00 44.25 C ATOM 1721 CD GLU A 114 -9.860 15.400 2.902 1.00 73.33 C ATOM 1722 OE1 GLU A 114 -8.966 15.941 2.212 1.00 52.25 O ATOM 1723 OE2 GLU A 114 -11.061 15.699 2.771 1.00 51.34 O ATOM 0 H GLU A 114 -9.713 10.492 3.167 1.00 35.40 H new ATOM 0 HA GLU A 114 -7.598 11.980 4.453 1.00 60.53 H new ATOM 0 HB2 GLU A 114 -8.489 13.028 2.551 1.00 54.34 H new ATOM 0 HB3 GLU A 114 -10.138 12.576 2.932 1.00 54.34 H new ATOM 0 HG2 GLU A 114 -10.242 14.281 4.706 1.00 44.25 H new ATOM 0 HG3 GLU A 114 -8.554 14.683 4.461 1.00 44.25 H new ATOM 1730 N ALA A 115 -8.354 12.565 6.721 1.00 42.05 N ATOM 1731 CA ALA A 115 -8.659 12.754 8.167 1.00 23.11 C ATOM 1732 C ALA A 115 -9.152 14.195 8.476 1.00 22.22 C ATOM 1733 O ALA A 115 -9.092 15.084 7.617 1.00 50.43 O ATOM 1734 CB ALA A 115 -7.412 12.376 8.988 1.00 43.42 C ATOM 0 H ALA A 115 -7.400 12.827 6.474 1.00 42.05 H new ATOM 0 HA ALA A 115 -9.483 12.098 8.449 1.00 23.11 H new ATOM 0 HB1 ALA A 115 -7.621 12.510 10.049 1.00 43.42 H new ATOM 0 HB2 ALA A 115 -7.153 11.335 8.797 1.00 43.42 H new ATOM 0 HB3 ALA A 115 -6.578 13.016 8.699 1.00 43.42 H new ATOM 1740 N ASP A 116 -9.622 14.416 9.723 1.00 3.43 N ATOM 1741 CA ASP A 116 -10.328 15.659 10.128 1.00 3.33 C ATOM 1742 C ASP A 116 -9.311 16.763 10.509 1.00 71.31 C ATOM 1743 O ASP A 116 -8.485 16.519 11.345 1.00 24.42 O ATOM 1744 CB ASP A 116 -11.250 15.349 11.329 1.00 44.40 C ATOM 1745 CG ASP A 116 -12.152 14.130 11.084 1.00 34.43 C ATOM 1746 OD1 ASP A 116 -13.268 14.292 10.547 1.00 31.22 O ATOM 1747 OD2 ASP A 116 -11.736 12.994 11.414 1.00 40.14 O ATOM 0 H ASP A 116 -9.524 13.739 10.480 1.00 3.43 H new ATOM 0 HA ASP A 116 -10.925 16.021 9.291 1.00 3.33 H new ATOM 0 HB2 ASP A 116 -10.639 15.172 12.214 1.00 44.40 H new ATOM 0 HB3 ASP A 116 -11.871 16.219 11.539 1.00 44.40 H new ATOM 1752 N VAL A 117 -9.494 18.001 9.998 1.00 70.35 N ATOM 1753 CA VAL A 117 -8.430 19.076 9.888 1.00 12.32 C ATOM 1754 C VAL A 117 -7.413 19.194 11.086 1.00 53.13 C ATOM 1755 O VAL A 117 -6.218 19.427 10.857 1.00 64.12 O ATOM 1756 CB VAL A 117 -9.110 20.480 9.629 1.00 32.41 C ATOM 1757 CG1 VAL A 117 -8.072 21.637 9.495 1.00 43.34 C ATOM 1758 CG2 VAL A 117 -10.036 20.431 8.379 1.00 12.41 C ATOM 0 H VAL A 117 -10.398 18.307 9.637 1.00 70.35 H new ATOM 0 HA VAL A 117 -7.817 18.756 9.045 1.00 12.32 H new ATOM 0 HB VAL A 117 -9.717 20.696 10.508 1.00 32.41 H new ATOM 0 HG11 VAL A 117 -8.595 22.577 9.318 1.00 43.34 H new ATOM 0 HG12 VAL A 117 -7.491 21.713 10.414 1.00 43.34 H new ATOM 0 HG13 VAL A 117 -7.404 21.431 8.659 1.00 43.34 H new ATOM 0 HG21 VAL A 117 -10.491 21.410 8.224 1.00 12.41 H new ATOM 0 HG22 VAL A 117 -9.449 20.161 7.501 1.00 12.41 H new ATOM 0 HG23 VAL A 117 -10.818 19.688 8.535 1.00 12.41 H new ATOM 1768 N THR A 118 -7.880 19.010 12.347 1.00 54.40 N ATOM 1769 CA THR A 118 -6.998 19.063 13.563 1.00 3.45 C ATOM 1770 C THR A 118 -5.933 17.919 13.554 1.00 60.34 C ATOM 1771 O THR A 118 -4.768 18.132 13.887 1.00 22.34 O ATOM 1772 CB THR A 118 -7.846 19.020 14.893 1.00 21.02 C ATOM 1773 OG1 THR A 118 -6.995 18.930 16.050 1.00 62.24 O ATOM 1774 CG2 THR A 118 -8.865 17.859 14.916 1.00 53.23 C ATOM 0 H THR A 118 -8.860 18.823 12.558 1.00 54.40 H new ATOM 0 HA THR A 118 -6.468 20.015 13.529 1.00 3.45 H new ATOM 0 HB THR A 118 -8.404 19.956 14.922 1.00 21.02 H new ATOM 0 HG1 THR A 118 -7.546 18.906 16.860 1.00 62.24 H new ATOM 0 HG21 THR A 118 -9.419 17.880 15.854 1.00 53.23 H new ATOM 0 HG22 THR A 118 -9.559 17.967 14.082 1.00 53.23 H new ATOM 0 HG23 THR A 118 -8.337 16.910 14.827 1.00 53.23 H new ATOM 1782 N HIS A 119 -6.381 16.712 13.180 1.00 34.14 N ATOM 1783 CA HIS A 119 -5.527 15.542 12.843 1.00 32.41 C ATOM 1784 C HIS A 119 -6.048 15.054 11.469 1.00 70.04 C ATOM 1785 O HIS A 119 -6.716 14.035 11.422 1.00 41.10 O ATOM 1786 CB HIS A 119 -5.656 14.421 13.919 1.00 72.44 C ATOM 1787 CG HIS A 119 -5.735 14.913 15.337 1.00 44.02 C ATOM 1788 ND1 HIS A 119 -4.636 15.400 16.000 1.00 50.12 N ATOM 1789 CD2 HIS A 119 -6.815 14.994 16.153 1.00 75.04 C ATOM 1790 CE1 HIS A 119 -5.071 15.765 17.193 1.00 12.51 C ATOM 1791 NE2 HIS A 119 -6.387 15.536 17.334 1.00 73.23 N ATOM 0 H HIS A 119 -7.377 16.507 13.098 1.00 34.14 H new ATOM 0 HA HIS A 119 -4.470 15.805 12.812 1.00 32.41 H new ATOM 0 HB2 HIS A 119 -6.547 13.831 13.704 1.00 72.44 H new ATOM 0 HB3 HIS A 119 -4.801 13.751 13.829 1.00 72.44 H new ATOM 0 HD2 HIS A 119 -7.823 14.688 15.915 1.00 75.04 H new ATOM 0 HE1 HIS A 119 -4.445 16.195 17.961 1.00 12.51 H new ATOM 0 HE2 HIS A 119 -6.955 15.728 18.159 1.00 73.23 H new ATOM 1799 N LYS A 120 -5.842 15.767 10.314 1.00 72.31 N ATOM 1800 CA LYS A 120 -4.578 16.244 9.642 1.00 25.54 C ATOM 1801 C LYS A 120 -3.431 16.998 10.457 1.00 20.42 C ATOM 1802 O LYS A 120 -3.312 16.883 11.653 1.00 41.32 O ATOM 1803 CB LYS A 120 -5.039 17.059 8.400 1.00 74.21 C ATOM 1804 CG LYS A 120 -5.831 16.297 7.326 1.00 64.52 C ATOM 1805 CD LYS A 120 -6.099 17.189 6.089 1.00 43.33 C ATOM 1806 CE LYS A 120 -6.777 16.442 4.941 1.00 4.22 C ATOM 1807 NZ LYS A 120 -6.847 17.256 3.693 1.00 3.21 N ATOM 0 H LYS A 120 -6.652 16.056 9.765 1.00 72.31 H new ATOM 0 HA LYS A 120 -4.020 15.331 9.431 1.00 25.54 H new ATOM 0 HB2 LYS A 120 -5.652 17.891 8.748 1.00 74.21 H new ATOM 0 HB3 LYS A 120 -4.155 17.489 7.929 1.00 74.21 H new ATOM 0 HG2 LYS A 120 -5.277 15.409 7.024 1.00 64.52 H new ATOM 0 HG3 LYS A 120 -6.778 15.955 7.743 1.00 64.52 H new ATOM 0 HD2 LYS A 120 -6.725 18.031 6.385 1.00 43.33 H new ATOM 0 HD3 LYS A 120 -5.154 17.603 5.736 1.00 43.33 H new ATOM 0 HE2 LYS A 120 -6.232 15.520 4.740 1.00 4.22 H new ATOM 0 HE3 LYS A 120 -7.785 16.157 5.242 1.00 4.22 H new ATOM 0 HZ1 LYS A 120 -7.549 16.842 3.047 1.00 3.21 H new ATOM 0 HZ2 LYS A 120 -7.125 18.230 3.929 1.00 3.21 H new ATOM 0 HZ3 LYS A 120 -5.915 17.265 3.231 1.00 3.21 H new ATOM 1821 N PRO A 121 -2.534 17.830 9.802 1.00 2.21 N ATOM 1822 CA PRO A 121 -1.063 17.697 9.940 1.00 43.33 C ATOM 1823 C PRO A 121 -0.561 16.486 10.787 1.00 54.23 C ATOM 1824 O PRO A 121 -0.070 16.644 11.911 1.00 2.44 O ATOM 1825 CB PRO A 121 -0.704 19.073 10.536 1.00 62.35 C ATOM 1826 CG PRO A 121 -1.683 20.031 9.872 1.00 30.23 C ATOM 1827 CD PRO A 121 -2.790 19.183 9.234 1.00 24.25 C ATOM 0 HA PRO A 121 -0.570 17.464 8.996 1.00 43.33 H new ATOM 0 HB2 PRO A 121 -0.814 19.079 11.620 1.00 62.35 H new ATOM 0 HB3 PRO A 121 0.329 19.344 10.319 1.00 62.35 H new ATOM 0 HG2 PRO A 121 -2.102 20.721 10.604 1.00 30.23 H new ATOM 0 HG3 PRO A 121 -1.178 20.634 9.118 1.00 30.23 H new ATOM 0 HD2 PRO A 121 -3.783 19.550 9.495 1.00 24.25 H new ATOM 0 HD3 PRO A 121 -2.725 19.184 8.146 1.00 24.25 H new ATOM 1835 N ILE A 122 -0.731 15.264 10.225 1.00 53.44 N ATOM 1836 CA ILE A 122 -0.295 14.006 10.873 1.00 63.21 C ATOM 1837 C ILE A 122 1.242 13.878 10.799 1.00 43.43 C ATOM 1838 O ILE A 122 1.798 13.370 9.824 1.00 12.45 O ATOM 1839 CB ILE A 122 -0.979 12.728 10.235 1.00 2.22 C ATOM 1840 CG1 ILE A 122 -2.540 12.806 10.318 1.00 71.41 C ATOM 1841 CG2 ILE A 122 -0.468 11.411 10.893 1.00 54.43 C ATOM 1842 CD1 ILE A 122 -3.121 12.736 11.721 1.00 2.33 C ATOM 0 H ILE A 122 -1.171 15.125 9.316 1.00 53.44 H new ATOM 0 HA ILE A 122 -0.611 14.053 11.915 1.00 63.21 H new ATOM 0 HB ILE A 122 -0.694 12.714 9.183 1.00 2.22 H new ATOM 0 HG12 ILE A 122 -2.866 13.737 9.854 1.00 71.41 H new ATOM 0 HG13 ILE A 122 -2.960 11.991 9.728 1.00 71.41 H new ATOM 0 HG21 ILE A 122 -0.961 10.557 10.428 1.00 54.43 H new ATOM 0 HG22 ILE A 122 0.610 11.329 10.753 1.00 54.43 H new ATOM 0 HG23 ILE A 122 -0.695 11.425 11.959 1.00 54.43 H new ATOM 0 HD11 ILE A 122 -4.208 12.798 11.668 1.00 2.33 H new ATOM 0 HD12 ILE A 122 -2.834 11.794 12.187 1.00 2.33 H new ATOM 0 HD13 ILE A 122 -2.738 13.566 12.315 1.00 2.33 H new ATOM 1854 N TYR A 123 1.923 14.418 11.813 1.00 13.21 N ATOM 1855 CA TYR A 123 3.381 14.255 11.970 1.00 62.03 C ATOM 1856 C TYR A 123 3.681 12.997 12.802 1.00 4.20 C ATOM 1857 O TYR A 123 2.870 12.588 13.632 1.00 14.34 O ATOM 1858 CB TYR A 123 4.017 15.526 12.615 1.00 2.23 C ATOM 1859 CG TYR A 123 3.511 15.898 14.032 1.00 70.50 C ATOM 1860 CD1 TYR A 123 2.316 16.607 14.215 1.00 12.41 C ATOM 1861 CD2 TYR A 123 4.242 15.555 15.175 1.00 55.43 C ATOM 1862 CE1 TYR A 123 1.877 16.954 15.479 1.00 34.14 C ATOM 1863 CE2 TYR A 123 3.806 15.905 16.437 1.00 41.51 C ATOM 1864 CZ TYR A 123 2.626 16.600 16.585 1.00 50.22 C ATOM 1865 OH TYR A 123 2.194 16.951 17.847 1.00 25.44 O ATOM 0 H TYR A 123 1.488 14.978 12.547 1.00 13.21 H new ATOM 0 HA TYR A 123 3.829 14.131 10.984 1.00 62.03 H new ATOM 0 HB2 TYR A 123 5.096 15.383 12.663 1.00 2.23 H new ATOM 0 HB3 TYR A 123 3.837 16.373 11.953 1.00 2.23 H new ATOM 0 HD1 TYR A 123 1.728 16.887 13.354 1.00 12.41 H new ATOM 0 HD2 TYR A 123 5.166 15.006 15.068 1.00 55.43 H new ATOM 0 HE1 TYR A 123 0.953 17.499 15.602 1.00 34.14 H new ATOM 0 HE2 TYR A 123 4.388 15.635 17.306 1.00 41.51 H new ATOM 0 HH TYR A 123 2.834 16.626 18.514 1.00 25.44 H new ATOM 1875 N LYS A 124 4.830 12.370 12.550 1.00 72.33 N ATOM 1876 CA LYS A 124 5.332 11.264 13.394 1.00 53.11 C ATOM 1877 C LYS A 124 5.771 11.814 14.777 1.00 14.13 C ATOM 1878 O LYS A 124 6.194 12.974 14.865 1.00 52.22 O ATOM 1879 CB LYS A 124 6.488 10.551 12.654 1.00 23.03 C ATOM 1880 CG LYS A 124 6.032 9.820 11.359 1.00 14.23 C ATOM 1881 CD LYS A 124 7.193 9.445 10.408 1.00 1.25 C ATOM 1882 CE LYS A 124 7.900 10.689 9.846 1.00 72.23 C ATOM 1883 NZ LYS A 124 8.898 10.353 8.806 1.00 55.54 N ATOM 0 H LYS A 124 5.440 12.604 11.766 1.00 72.33 H new ATOM 0 HA LYS A 124 4.544 10.533 13.574 1.00 53.11 H new ATOM 0 HB2 LYS A 124 7.253 11.284 12.399 1.00 23.03 H new ATOM 0 HB3 LYS A 124 6.950 9.829 13.327 1.00 23.03 H new ATOM 0 HG2 LYS A 124 5.495 8.913 11.636 1.00 14.23 H new ATOM 0 HG3 LYS A 124 5.328 10.456 10.823 1.00 14.23 H new ATOM 0 HD2 LYS A 124 7.915 8.828 10.943 1.00 1.25 H new ATOM 0 HD3 LYS A 124 6.808 8.844 9.585 1.00 1.25 H new ATOM 0 HE2 LYS A 124 7.157 11.367 9.426 1.00 72.23 H new ATOM 0 HE3 LYS A 124 8.393 11.221 10.659 1.00 72.23 H new ATOM 0 HZ1 LYS A 124 9.754 10.927 8.948 1.00 55.54 H new ATOM 0 HZ2 LYS A 124 9.142 9.344 8.872 1.00 55.54 H new ATOM 0 HZ3 LYS A 124 8.500 10.552 7.866 1.00 55.54 H new