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 118 THR OG1 : rot -78:sc= 0.271 USER MOD Set 1.2: A 119 HIS : no HD1:sc= -1.45 K(o=-1.2,f=-2.4!) USER MOD Set 2.1: A 101 GLN :FLIP amide:sc= 0.158 F(o=-1.1,f=0.43) USER MOD Set 2.2: A 106 THR OG1 : rot -85:sc= 0.276 USER MOD Set 3.1: A 3 SER OG : rot 121:sc= 1.07 USER MOD Set 3.2: A 5 THR OG1 : rot 180:sc= 0.671 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.273 (180deg=-0.816) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.201 K(o=0.2,f=-3.2!) USER MOD Single : A 17 SER OG : rot -76:sc=0.000602 USER MOD Single : A 23 LYS NZ :NH3+ 148:sc= 0.836 (180deg=-0.0312) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -134:sc= -0.148 (180deg=-1.22) USER MOD Single : A 30 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0164) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 177:sc= -0.64 (180deg=-0.676) USER MOD Single : A 35 THR OG1 : rot -155:sc= 0.0635 USER MOD Single : A 41 ASN : amide:sc= 1.4 K(o=1.4,f=-2.9!) USER MOD Single : A 49 TYR OH : rot 80:sc= -0.694 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.355 F(o=-0.96,f=-0.35) USER MOD Single : A 61 LYS NZ :NH3+ -132:sc= -0.0198 (180deg=-0.651) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.82! C(o=-1.8!,f=-3.9!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN :FLIP amide:sc= 0.526 F(o=-0.013,f=0.53) USER MOD Single : A 85 CYS SG : rot 120:sc= -2.89! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 178:sc= -0.566 (180deg=-0.567) USER MOD Single : A 90 ASN : amide:sc= 0.0096 X(o=0.0096,f=-0.24) USER MOD Single : A 97 MET CE :methyl 140:sc= -0.227 (180deg=-0.776) USER MOD Single : A 98 GLN : amide:sc=-0.00939 X(o=-0.0094,f=-0.19) USER MOD Single : A 105 LYS NZ :NH3+ 145:sc= 1.2 (180deg=0.245) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 168:sc= -0.109! (180deg=-0.342) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -172:sc= 0.565 (180deg=0.462) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.809 1.070 -1.434 1.00 30.03 N ATOM 2 CA MET A 1 -12.505 0.354 -1.478 1.00 2.12 C ATOM 3 C MET A 1 -12.426 -0.511 -2.755 1.00 41.15 C ATOM 4 O MET A 1 -13.347 -1.283 -3.037 1.00 2.31 O ATOM 5 CB MET A 1 -12.343 -0.518 -0.202 1.00 50.24 C ATOM 6 CG MET A 1 -10.928 -1.053 0.066 1.00 1.14 C ATOM 7 SD MET A 1 -10.859 -2.037 1.583 1.00 45.42 S ATOM 8 CE MET A 1 -9.098 -2.244 1.831 1.00 3.01 C ATOM 0 H1 MET A 1 -13.857 1.651 -0.573 1.00 30.03 H new ATOM 0 H2 MET A 1 -13.897 1.682 -2.270 1.00 30.03 H new ATOM 0 H3 MET A 1 -14.585 0.378 -1.429 1.00 30.03 H new ATOM 0 HA MET A 1 -11.690 1.078 -1.505 1.00 2.12 H new ATOM 0 HB2 MET A 1 -12.658 0.070 0.660 1.00 50.24 H new ATOM 0 HB3 MET A 1 -13.024 -1.366 -0.275 1.00 50.24 H new ATOM 0 HG2 MET A 1 -10.604 -1.662 -0.778 1.00 1.14 H new ATOM 0 HG3 MET A 1 -10.232 -0.218 0.142 1.00 1.14 H new ATOM 0 HE1 MET A 1 -8.902 -2.469 2.879 1.00 3.01 H new ATOM 0 HE2 MET A 1 -8.737 -3.064 1.210 1.00 3.01 H new ATOM 0 HE3 MET A 1 -8.581 -1.325 1.555 1.00 3.01 H new ATOM 20 N ARG A 2 -11.341 -0.361 -3.539 1.00 41.43 N ATOM 21 CA ARG A 2 -11.129 -1.151 -4.784 1.00 24.42 C ATOM 22 C ARG A 2 -10.170 -2.337 -4.519 1.00 1.42 C ATOM 23 O ARG A 2 -9.293 -2.265 -3.650 1.00 1.04 O ATOM 24 CB ARG A 2 -10.610 -0.238 -5.934 1.00 33.13 C ATOM 25 CG ARG A 2 -9.324 0.536 -5.607 1.00 1.40 C ATOM 26 CD ARG A 2 -8.973 1.620 -6.645 1.00 55.31 C ATOM 27 NE ARG A 2 -8.608 1.063 -7.958 1.00 74.22 N ATOM 28 CZ ARG A 2 -7.917 1.693 -8.883 1.00 24.31 C ATOM 29 NH1 ARG A 2 -7.442 2.886 -8.680 1.00 64.24 N ATOM 30 NH2 ARG A 2 -7.698 1.117 -10.015 1.00 4.21 N ATOM 0 H ARG A 2 -10.591 0.300 -3.338 1.00 41.43 H new ATOM 0 HA ARG A 2 -12.086 -1.565 -5.101 1.00 24.42 H new ATOM 0 HB2 ARG A 2 -10.434 -0.853 -6.817 1.00 33.13 H new ATOM 0 HB3 ARG A 2 -11.392 0.476 -6.194 1.00 33.13 H new ATOM 0 HG2 ARG A 2 -9.431 1.004 -4.628 1.00 1.40 H new ATOM 0 HG3 ARG A 2 -8.495 -0.168 -5.535 1.00 1.40 H new ATOM 0 HD2 ARG A 2 -9.825 2.290 -6.765 1.00 55.31 H new ATOM 0 HD3 ARG A 2 -8.145 2.221 -6.269 1.00 55.31 H new ATOM 0 HE ARG A 2 -8.915 0.113 -8.167 1.00 74.22 H new ATOM 0 HH11 ARG A 2 -7.602 3.354 -7.788 1.00 64.24 H new ATOM 0 HH12 ARG A 2 -6.909 3.354 -9.413 1.00 64.24 H new ATOM 0 HH21 ARG A 2 -8.060 0.179 -10.188 1.00 4.21 H new ATOM 0 HH22 ARG A 2 -7.163 1.599 -10.737 1.00 4.21 H new ATOM 44 N SER A 3 -10.349 -3.407 -5.306 1.00 24.43 N ATOM 45 CA SER A 3 -9.702 -4.721 -5.082 1.00 63.22 C ATOM 46 C SER A 3 -8.210 -4.740 -5.471 1.00 11.51 C ATOM 47 O SER A 3 -7.753 -3.908 -6.254 1.00 72.34 O ATOM 48 CB SER A 3 -10.460 -5.796 -5.888 1.00 54.45 C ATOM 49 OG SER A 3 -10.467 -5.490 -7.276 1.00 1.43 O ATOM 0 H SER A 3 -10.953 -3.391 -6.128 1.00 24.43 H new ATOM 0 HA SER A 3 -9.748 -4.926 -4.012 1.00 63.22 H new ATOM 0 HB2 SER A 3 -9.994 -6.768 -5.730 1.00 54.45 H new ATOM 0 HB3 SER A 3 -11.485 -5.871 -5.525 1.00 54.45 H new ATOM 0 HG SER A 3 -10.037 -6.217 -7.773 1.00 1.43 H new ATOM 55 N ALA A 4 -7.473 -5.731 -4.918 1.00 30.14 N ATOM 56 CA ALA A 4 -6.038 -5.976 -5.224 1.00 44.33 C ATOM 57 C ALA A 4 -5.804 -6.267 -6.723 1.00 24.31 C ATOM 58 O ALA A 4 -4.751 -5.934 -7.278 1.00 75.05 O ATOM 59 CB ALA A 4 -5.515 -7.144 -4.364 1.00 14.20 C ATOM 0 H ALA A 4 -7.858 -6.390 -4.241 1.00 30.14 H new ATOM 0 HA ALA A 4 -5.487 -5.067 -4.983 1.00 44.33 H new ATOM 0 HB1 ALA A 4 -4.464 -7.321 -4.591 1.00 14.20 H new ATOM 0 HB2 ALA A 4 -5.622 -6.895 -3.308 1.00 14.20 H new ATOM 0 HB3 ALA A 4 -6.090 -8.044 -4.584 1.00 14.20 H new ATOM 65 N THR A 5 -6.807 -6.891 -7.355 1.00 2.21 N ATOM 66 CA THR A 5 -6.807 -7.191 -8.801 1.00 33.21 C ATOM 67 C THR A 5 -6.868 -5.901 -9.635 1.00 42.05 C ATOM 68 O THR A 5 -6.085 -5.705 -10.572 1.00 72.33 O ATOM 69 CB THR A 5 -8.029 -8.085 -9.190 1.00 33.10 C ATOM 70 OG1 THR A 5 -9.261 -7.390 -8.936 1.00 1.15 O ATOM 71 CG2 THR A 5 -8.036 -9.396 -8.415 1.00 3.23 C ATOM 0 H THR A 5 -7.651 -7.206 -6.876 1.00 2.21 H new ATOM 0 HA THR A 5 -5.879 -7.722 -9.013 1.00 33.21 H new ATOM 0 HB THR A 5 -7.938 -8.306 -10.253 1.00 33.10 H new ATOM 0 HG1 THR A 5 -10.017 -7.962 -9.186 1.00 1.15 H new ATOM 0 HG21 THR A 5 -8.900 -9.990 -8.713 1.00 3.23 H new ATOM 0 HG22 THR A 5 -7.123 -9.951 -8.630 1.00 3.23 H new ATOM 0 HG23 THR A 5 -8.090 -9.187 -7.347 1.00 3.23 H new ATOM 79 N ASP A 6 -7.816 -5.028 -9.261 1.00 25.52 N ATOM 80 CA ASP A 6 -8.083 -3.768 -9.966 1.00 11.34 C ATOM 81 C ASP A 6 -6.914 -2.755 -9.780 1.00 12.20 C ATOM 82 O ASP A 6 -6.601 -1.962 -10.677 1.00 34.04 O ATOM 83 CB ASP A 6 -9.429 -3.188 -9.464 1.00 12.31 C ATOM 84 CG ASP A 6 -9.929 -2.011 -10.312 1.00 1.03 C ATOM 85 OD1 ASP A 6 -10.429 -2.247 -11.432 1.00 54.20 O ATOM 86 OD2 ASP A 6 -9.830 -0.852 -9.869 1.00 75.24 O ATOM 0 H ASP A 6 -8.422 -5.179 -8.455 1.00 25.52 H new ATOM 0 HA ASP A 6 -8.156 -3.961 -11.036 1.00 11.34 H new ATOM 0 HB2 ASP A 6 -10.182 -3.976 -9.467 1.00 12.31 H new ATOM 0 HB3 ASP A 6 -9.314 -2.861 -8.431 1.00 12.31 H new ATOM 91 N LEU A 7 -6.295 -2.800 -8.587 1.00 54.31 N ATOM 92 CA LEU A 7 -5.076 -2.031 -8.252 1.00 44.54 C ATOM 93 C LEU A 7 -3.848 -2.505 -9.047 1.00 52.41 C ATOM 94 O LEU A 7 -2.999 -1.695 -9.403 1.00 33.32 O ATOM 95 CB LEU A 7 -4.781 -2.139 -6.736 1.00 31.42 C ATOM 96 CG LEU A 7 -5.757 -1.374 -5.802 1.00 62.32 C ATOM 97 CD1 LEU A 7 -5.453 -1.656 -4.319 1.00 55.15 C ATOM 98 CD2 LEU A 7 -5.713 0.131 -6.104 1.00 11.14 C ATOM 0 H LEU A 7 -6.629 -3.378 -7.816 1.00 54.31 H new ATOM 0 HA LEU A 7 -5.267 -0.993 -8.525 1.00 44.54 H new ATOM 0 HB2 LEU A 7 -4.792 -3.193 -6.457 1.00 31.42 H new ATOM 0 HB3 LEU A 7 -3.771 -1.772 -6.554 1.00 31.42 H new ATOM 0 HG LEU A 7 -6.767 -1.734 -5.997 1.00 62.32 H new ATOM 0 HD11 LEU A 7 -6.155 -1.105 -3.693 1.00 55.15 H new ATOM 0 HD12 LEU A 7 -5.553 -2.724 -4.124 1.00 55.15 H new ATOM 0 HD13 LEU A 7 -4.436 -1.339 -4.090 1.00 55.15 H new ATOM 0 HD21 LEU A 7 -6.402 0.655 -5.442 1.00 11.14 H new ATOM 0 HD22 LEU A 7 -4.702 0.505 -5.945 1.00 11.14 H new ATOM 0 HD23 LEU A 7 -6.004 0.303 -7.140 1.00 11.14 H new ATOM 110 N LEU A 8 -3.753 -3.822 -9.285 1.00 4.10 N ATOM 111 CA LEU A 8 -2.636 -4.417 -10.053 1.00 43.12 C ATOM 112 C LEU A 8 -2.639 -3.886 -11.511 1.00 41.51 C ATOM 113 O LEU A 8 -1.596 -3.493 -12.043 1.00 64.24 O ATOM 114 CB LEU A 8 -2.734 -5.964 -10.031 1.00 31.14 C ATOM 115 CG LEU A 8 -1.485 -6.731 -10.573 1.00 24.31 C ATOM 116 CD1 LEU A 8 -0.246 -6.496 -9.676 1.00 71.22 C ATOM 117 CD2 LEU A 8 -1.784 -8.239 -10.744 1.00 1.24 C ATOM 0 H LEU A 8 -4.438 -4.503 -8.957 1.00 4.10 H new ATOM 0 HA LEU A 8 -1.695 -4.126 -9.586 1.00 43.12 H new ATOM 0 HB2 LEU A 8 -2.916 -6.283 -9.005 1.00 31.14 H new ATOM 0 HB3 LEU A 8 -3.603 -6.263 -10.617 1.00 31.14 H new ATOM 0 HG LEU A 8 -1.253 -6.329 -11.559 1.00 24.31 H new ATOM 0 HD11 LEU A 8 0.605 -7.043 -10.081 1.00 71.22 H new ATOM 0 HD12 LEU A 8 -0.013 -5.431 -9.649 1.00 71.22 H new ATOM 0 HD13 LEU A 8 -0.456 -6.847 -8.666 1.00 71.22 H new ATOM 0 HD21 LEU A 8 -0.896 -8.745 -11.122 1.00 1.24 H new ATOM 0 HD22 LEU A 8 -2.063 -8.666 -9.781 1.00 1.24 H new ATOM 0 HD23 LEU A 8 -2.604 -8.370 -11.450 1.00 1.24 H new ATOM 129 N ASP A 9 -3.842 -3.856 -12.126 1.00 34.21 N ATOM 130 CA ASP A 9 -4.056 -3.252 -13.468 1.00 1.12 C ATOM 131 C ASP A 9 -3.748 -1.735 -13.486 1.00 24.05 C ATOM 132 O ASP A 9 -3.231 -1.216 -14.482 1.00 41.13 O ATOM 133 CB ASP A 9 -5.504 -3.504 -13.952 1.00 30.41 C ATOM 134 CG ASP A 9 -5.759 -4.981 -14.277 1.00 11.24 C ATOM 135 OD1 ASP A 9 -5.197 -5.475 -15.281 1.00 1.23 O ATOM 136 OD2 ASP A 9 -6.509 -5.659 -13.545 1.00 4.02 O ATOM 0 H ASP A 9 -4.689 -4.246 -11.713 1.00 34.21 H new ATOM 0 HA ASP A 9 -3.357 -3.737 -14.150 1.00 1.12 H new ATOM 0 HB2 ASP A 9 -6.204 -3.177 -13.183 1.00 30.41 H new ATOM 0 HB3 ASP A 9 -5.699 -2.900 -14.838 1.00 30.41 H new ATOM 141 N GLU A 10 -4.077 -1.040 -12.379 1.00 73.33 N ATOM 142 CA GLU A 10 -3.818 0.411 -12.235 1.00 60.33 C ATOM 143 C GLU A 10 -2.298 0.708 -12.187 1.00 31.30 C ATOM 144 O GLU A 10 -1.827 1.675 -12.781 1.00 64.45 O ATOM 145 CB GLU A 10 -4.509 0.976 -10.964 1.00 55.32 C ATOM 146 CG GLU A 10 -4.549 2.522 -10.893 1.00 22.34 C ATOM 147 CD GLU A 10 -5.585 3.161 -11.846 1.00 3.40 C ATOM 148 OE1 GLU A 10 -5.404 3.107 -13.083 1.00 60.13 O ATOM 149 OE2 GLU A 10 -6.596 3.716 -11.360 1.00 51.42 O ATOM 0 H GLU A 10 -4.526 -1.461 -11.566 1.00 73.33 H new ATOM 0 HA GLU A 10 -4.239 0.905 -13.111 1.00 60.33 H new ATOM 0 HB2 GLU A 10 -5.530 0.596 -10.920 1.00 55.32 H new ATOM 0 HB3 GLU A 10 -3.990 0.597 -10.084 1.00 55.32 H new ATOM 0 HG2 GLU A 10 -4.774 2.824 -9.870 1.00 22.34 H new ATOM 0 HG3 GLU A 10 -3.560 2.914 -11.131 1.00 22.34 H new ATOM 156 N LEU A 11 -1.552 -0.143 -11.457 1.00 41.35 N ATOM 157 CA LEU A 11 -0.074 -0.102 -11.388 1.00 62.55 C ATOM 158 C LEU A 11 0.580 -0.244 -12.784 1.00 65.05 C ATOM 159 O LEU A 11 1.477 0.524 -13.132 1.00 31.13 O ATOM 160 CB LEU A 11 0.420 -1.227 -10.435 1.00 61.22 C ATOM 161 CG LEU A 11 0.143 -0.990 -8.913 1.00 10.53 C ATOM 162 CD1 LEU A 11 0.333 -2.287 -8.092 1.00 64.23 C ATOM 163 CD2 LEU A 11 1.030 0.159 -8.369 1.00 15.52 C ATOM 0 H LEU A 11 -1.961 -0.887 -10.892 1.00 41.35 H new ATOM 0 HA LEU A 11 0.225 0.872 -11.000 1.00 62.55 H new ATOM 0 HB2 LEU A 11 -0.053 -2.164 -10.731 1.00 61.22 H new ATOM 0 HB3 LEU A 11 1.493 -1.353 -10.576 1.00 61.22 H new ATOM 0 HG LEU A 11 -0.900 -0.692 -8.804 1.00 10.53 H new ATOM 0 HD11 LEU A 11 0.132 -2.084 -7.040 1.00 64.23 H new ATOM 0 HD12 LEU A 11 -0.357 -3.050 -8.453 1.00 64.23 H new ATOM 0 HD13 LEU A 11 1.358 -2.642 -8.204 1.00 64.23 H new ATOM 0 HD21 LEU A 11 0.823 0.308 -7.309 1.00 15.52 H new ATOM 0 HD22 LEU A 11 2.081 -0.099 -8.500 1.00 15.52 H new ATOM 0 HD23 LEU A 11 0.811 1.077 -8.914 1.00 15.52 H new ATOM 175 N ASN A 12 0.123 -1.240 -13.570 1.00 1.04 N ATOM 176 CA ASN A 12 0.599 -1.450 -14.960 1.00 40.04 C ATOM 177 C ASN A 12 0.134 -0.317 -15.921 1.00 41.54 C ATOM 178 O ASN A 12 0.763 -0.084 -16.958 1.00 51.13 O ATOM 179 CB ASN A 12 0.148 -2.843 -15.489 1.00 10.13 C ATOM 180 CG ASN A 12 0.912 -4.008 -14.840 1.00 64.51 C ATOM 181 OD1 ASN A 12 1.990 -4.384 -15.286 1.00 40.24 O ATOM 182 ND2 ASN A 12 0.357 -4.617 -13.812 1.00 51.24 N ATOM 0 H ASN A 12 -0.578 -1.916 -13.267 1.00 1.04 H new ATOM 0 HA ASN A 12 1.688 -1.419 -14.935 1.00 40.04 H new ATOM 0 HB2 ASN A 12 -0.919 -2.968 -15.304 1.00 10.13 H new ATOM 0 HB3 ASN A 12 0.291 -2.879 -16.569 1.00 10.13 H new ATOM 0 HD21 ASN A 12 0.825 -5.412 -13.377 1.00 51.24 H new ATOM 0 HD22 ASN A 12 -0.540 -4.293 -13.451 1.00 51.24 H new ATOM 189 N ALA A 13 -0.970 0.374 -15.573 1.00 41.11 N ATOM 190 CA ALA A 13 -1.476 1.542 -16.338 1.00 72.50 C ATOM 191 C ALA A 13 -0.617 2.811 -16.103 1.00 72.25 C ATOM 192 O ALA A 13 -0.367 3.582 -17.039 1.00 65.21 O ATOM 193 CB ALA A 13 -2.944 1.827 -15.970 1.00 44.03 C ATOM 0 H ALA A 13 -1.537 0.143 -14.757 1.00 41.11 H new ATOM 0 HA ALA A 13 -1.408 1.288 -17.396 1.00 72.50 H new ATOM 0 HB1 ALA A 13 -3.301 2.686 -16.538 1.00 44.03 H new ATOM 0 HB2 ALA A 13 -3.554 0.955 -16.207 1.00 44.03 H new ATOM 0 HB3 ALA A 13 -3.017 2.042 -14.904 1.00 44.03 H new ATOM 199 N VAL A 14 -0.176 3.024 -14.847 1.00 72.14 N ATOM 200 CA VAL A 14 0.589 4.230 -14.460 1.00 31.10 C ATOM 201 C VAL A 14 2.118 4.012 -14.593 1.00 73.24 C ATOM 202 O VAL A 14 2.637 2.917 -14.358 1.00 31.33 O ATOM 203 CB VAL A 14 0.221 4.721 -13.000 1.00 52.34 C ATOM 204 CG1 VAL A 14 -1.297 5.017 -12.880 1.00 24.31 C ATOM 205 CG2 VAL A 14 0.675 3.724 -11.897 1.00 33.41 C ATOM 0 H VAL A 14 -0.337 2.373 -14.078 1.00 72.14 H new ATOM 0 HA VAL A 14 0.301 5.015 -15.159 1.00 31.10 H new ATOM 0 HB VAL A 14 0.773 5.646 -12.836 1.00 52.34 H new ATOM 0 HG11 VAL A 14 -1.523 5.352 -11.868 1.00 24.31 H new ATOM 0 HG12 VAL A 14 -1.573 5.796 -13.591 1.00 24.31 H new ATOM 0 HG13 VAL A 14 -1.863 4.111 -13.097 1.00 24.31 H new ATOM 0 HG21 VAL A 14 0.396 4.113 -10.918 1.00 33.41 H new ATOM 0 HG22 VAL A 14 0.191 2.760 -12.056 1.00 33.41 H new ATOM 0 HG23 VAL A 14 1.757 3.598 -11.943 1.00 33.41 H new ATOM 215 N ASP A 15 2.815 5.076 -15.008 1.00 73.34 N ATOM 216 CA ASP A 15 4.296 5.125 -15.076 1.00 42.13 C ATOM 217 C ASP A 15 4.896 5.607 -13.732 1.00 43.33 C ATOM 218 O ASP A 15 6.103 5.489 -13.493 1.00 11.02 O ATOM 219 CB ASP A 15 4.720 6.087 -16.204 1.00 64.25 C ATOM 220 CG ASP A 15 4.180 5.676 -17.582 1.00 65.35 C ATOM 221 OD1 ASP A 15 2.986 5.931 -17.861 1.00 71.13 O ATOM 222 OD2 ASP A 15 4.945 5.116 -18.398 1.00 32.44 O ATOM 0 H ASP A 15 2.369 5.942 -15.312 1.00 73.34 H new ATOM 0 HA ASP A 15 4.670 4.121 -15.279 1.00 42.13 H new ATOM 0 HB2 ASP A 15 4.369 7.091 -15.968 1.00 64.25 H new ATOM 0 HB3 ASP A 15 5.808 6.131 -16.245 1.00 64.25 H new ATOM 227 N GLU A 16 4.029 6.160 -12.869 1.00 62.22 N ATOM 228 CA GLU A 16 4.411 6.753 -11.573 1.00 14.23 C ATOM 229 C GLU A 16 3.353 6.413 -10.506 1.00 2.42 C ATOM 230 O GLU A 16 2.147 6.503 -10.776 1.00 10.12 O ATOM 231 CB GLU A 16 4.549 8.298 -11.718 1.00 50.43 C ATOM 232 CG GLU A 16 4.906 9.060 -10.420 1.00 73.31 C ATOM 233 CD GLU A 16 6.274 8.666 -9.835 1.00 1.11 C ATOM 234 OE1 GLU A 16 7.297 9.242 -10.260 1.00 41.52 O ATOM 235 OE2 GLU A 16 6.335 7.765 -8.963 1.00 41.24 O ATOM 0 H GLU A 16 3.027 6.210 -13.053 1.00 62.22 H new ATOM 0 HA GLU A 16 5.370 6.340 -11.261 1.00 14.23 H new ATOM 0 HB2 GLU A 16 5.315 8.508 -12.464 1.00 50.43 H new ATOM 0 HB3 GLU A 16 3.610 8.694 -12.105 1.00 50.43 H new ATOM 0 HG2 GLU A 16 4.901 10.131 -10.623 1.00 73.31 H new ATOM 0 HG3 GLU A 16 4.133 8.874 -9.674 1.00 73.31 H new ATOM 242 N SER A 17 3.800 6.036 -9.295 1.00 54.53 N ATOM 243 CA SER A 17 2.900 5.762 -8.158 1.00 10.32 C ATOM 244 C SER A 17 2.334 7.076 -7.569 1.00 65.54 C ATOM 245 O SER A 17 2.804 7.579 -6.541 1.00 3.42 O ATOM 246 CB SER A 17 3.638 4.939 -7.082 1.00 23.24 C ATOM 247 OG SER A 17 3.993 3.650 -7.570 1.00 0.04 O ATOM 0 H SER A 17 4.789 5.913 -9.076 1.00 54.53 H new ATOM 0 HA SER A 17 2.055 5.175 -8.518 1.00 10.32 H new ATOM 0 HB2 SER A 17 4.536 5.471 -6.767 1.00 23.24 H new ATOM 0 HB3 SER A 17 3.003 4.835 -6.202 1.00 23.24 H new ATOM 0 HG SER A 17 3.200 3.075 -7.582 1.00 0.04 H new ATOM 253 N ALA A 18 1.343 7.636 -8.279 1.00 45.01 N ATOM 254 CA ALA A 18 0.675 8.898 -7.912 1.00 63.43 C ATOM 255 C ALA A 18 -0.239 8.708 -6.679 1.00 4.13 C ATOM 256 O ALA A 18 -0.058 9.360 -5.646 1.00 70.32 O ATOM 257 CB ALA A 18 -0.126 9.413 -9.120 1.00 11.31 C ATOM 0 H ALA A 18 0.977 7.221 -9.136 1.00 45.01 H new ATOM 0 HA ALA A 18 1.430 9.636 -7.640 1.00 63.43 H new ATOM 0 HB1 ALA A 18 -0.623 10.346 -8.856 1.00 11.31 H new ATOM 0 HB2 ALA A 18 0.550 9.586 -9.958 1.00 11.31 H new ATOM 0 HB3 ALA A 18 -0.873 8.672 -9.404 1.00 11.31 H new ATOM 263 N ARG A 19 -1.243 7.821 -6.817 1.00 40.24 N ATOM 264 CA ARG A 19 -2.143 7.422 -5.714 1.00 41.22 C ATOM 265 C ARG A 19 -1.921 5.953 -5.305 1.00 41.02 C ATOM 266 O ARG A 19 -2.229 5.568 -4.180 1.00 21.41 O ATOM 267 CB ARG A 19 -3.627 7.641 -6.116 1.00 63.41 C ATOM 268 CG ARG A 19 -4.029 9.122 -6.296 1.00 34.03 C ATOM 269 CD ARG A 19 -5.516 9.282 -6.651 1.00 31.25 C ATOM 270 NE ARG A 19 -5.935 10.693 -6.660 1.00 70.15 N ATOM 271 CZ ARG A 19 -7.032 11.165 -6.110 1.00 32.54 C ATOM 272 NH1 ARG A 19 -7.831 10.395 -5.434 1.00 20.53 N ATOM 273 NH2 ARG A 19 -7.308 12.417 -6.221 1.00 13.44 N ATOM 0 H ARG A 19 -1.455 7.358 -7.701 1.00 40.24 H new ATOM 0 HA ARG A 19 -1.908 8.051 -4.856 1.00 41.22 H new ATOM 0 HB2 ARG A 19 -3.820 7.109 -7.048 1.00 63.41 H new ATOM 0 HB3 ARG A 19 -4.266 7.194 -5.355 1.00 63.41 H new ATOM 0 HG2 ARG A 19 -3.816 9.669 -5.377 1.00 34.03 H new ATOM 0 HG3 ARG A 19 -3.420 9.569 -7.082 1.00 34.03 H new ATOM 0 HD2 ARG A 19 -5.704 8.842 -7.631 1.00 31.25 H new ATOM 0 HD3 ARG A 19 -6.121 8.729 -5.932 1.00 31.25 H new ATOM 0 HE ARG A 19 -5.324 11.360 -7.132 1.00 70.15 H new ATOM 0 HH11 ARG A 19 -7.612 9.405 -5.322 1.00 20.53 H new ATOM 0 HH12 ARG A 19 -8.677 10.780 -5.015 1.00 20.53 H new ATOM 0 HH21 ARG A 19 -6.678 13.035 -6.733 1.00 13.44 H new ATOM 0 HH22 ARG A 19 -8.157 12.792 -5.797 1.00 13.44 H new ATOM 287 N ILE A 20 -1.373 5.136 -6.228 1.00 11.43 N ATOM 288 CA ILE A 20 -1.294 3.665 -6.050 1.00 60.31 C ATOM 289 C ILE A 20 0.187 3.234 -5.965 1.00 71.43 C ATOM 290 O ILE A 20 0.893 3.238 -6.979 1.00 22.12 O ATOM 291 CB ILE A 20 -2.019 2.896 -7.227 1.00 34.11 C ATOM 292 CG1 ILE A 20 -3.426 3.518 -7.536 1.00 44.14 C ATOM 293 CG2 ILE A 20 -2.148 1.381 -6.910 1.00 64.44 C ATOM 294 CD1 ILE A 20 -4.422 3.497 -6.386 1.00 34.02 C ATOM 0 H ILE A 20 -0.977 5.468 -7.107 1.00 11.43 H new ATOM 0 HA ILE A 20 -1.806 3.406 -5.123 1.00 60.31 H new ATOM 0 HB ILE A 20 -1.401 3.006 -8.118 1.00 34.11 H new ATOM 0 HG12 ILE A 20 -3.285 4.552 -7.852 1.00 44.14 H new ATOM 0 HG13 ILE A 20 -3.862 2.984 -8.380 1.00 44.14 H new ATOM 0 HG21 ILE A 20 -2.650 0.878 -7.736 1.00 64.44 H new ATOM 0 HG22 ILE A 20 -1.155 0.952 -6.773 1.00 64.44 H new ATOM 0 HG23 ILE A 20 -2.729 1.248 -5.998 1.00 64.44 H new ATOM 0 HD11 ILE A 20 -5.359 3.951 -6.708 1.00 34.02 H new ATOM 0 HD12 ILE A 20 -4.604 2.467 -6.081 1.00 34.02 H new ATOM 0 HD13 ILE A 20 -4.018 4.059 -5.544 1.00 34.02 H new ATOM 306 N GLU A 21 0.647 2.861 -4.759 1.00 0.12 N ATOM 307 CA GLU A 21 2.081 2.592 -4.492 1.00 73.23 C ATOM 308 C GLU A 21 2.283 1.106 -4.105 1.00 62.54 C ATOM 309 O GLU A 21 1.805 0.660 -3.061 1.00 22.12 O ATOM 310 CB GLU A 21 2.569 3.584 -3.373 1.00 52.21 C ATOM 311 CG GLU A 21 4.070 3.986 -3.428 1.00 52.13 C ATOM 312 CD GLU A 21 5.047 2.989 -2.775 1.00 63.55 C ATOM 313 OE1 GLU A 21 5.495 2.037 -3.451 1.00 44.24 O ATOM 314 OE2 GLU A 21 5.396 3.174 -1.586 1.00 24.50 O ATOM 0 H GLU A 21 0.046 2.737 -3.944 1.00 0.12 H new ATOM 0 HA GLU A 21 2.683 2.761 -5.385 1.00 73.23 H new ATOM 0 HB2 GLU A 21 1.968 4.491 -3.432 1.00 52.21 H new ATOM 0 HB3 GLU A 21 2.370 3.132 -2.402 1.00 52.21 H new ATOM 0 HG2 GLU A 21 4.355 4.117 -4.472 1.00 52.13 H new ATOM 0 HG3 GLU A 21 4.187 4.954 -2.942 1.00 52.13 H new ATOM 321 N ALA A 22 3.002 0.355 -4.962 1.00 22.14 N ATOM 322 CA ALA A 22 3.237 -1.098 -4.780 1.00 12.42 C ATOM 323 C ALA A 22 4.443 -1.350 -3.861 1.00 54.13 C ATOM 324 O ALA A 22 5.567 -0.978 -4.206 1.00 70.33 O ATOM 325 CB ALA A 22 3.463 -1.772 -6.146 1.00 31.23 C ATOM 0 H ALA A 22 3.438 0.735 -5.802 1.00 22.14 H new ATOM 0 HA ALA A 22 2.354 -1.530 -4.309 1.00 12.42 H new ATOM 0 HB1 ALA A 22 3.635 -2.839 -6.001 1.00 31.23 H new ATOM 0 HB2 ALA A 22 2.583 -1.628 -6.773 1.00 31.23 H new ATOM 0 HB3 ALA A 22 4.331 -1.327 -6.632 1.00 31.23 H new ATOM 331 N LYS A 23 4.217 -1.979 -2.688 1.00 22.55 N ATOM 332 CA LYS A 23 5.289 -2.256 -1.706 1.00 32.43 C ATOM 333 C LYS A 23 5.483 -3.777 -1.486 1.00 52.54 C ATOM 334 O LYS A 23 4.565 -4.574 -1.692 1.00 52.14 O ATOM 335 CB LYS A 23 4.979 -1.550 -0.352 1.00 20.42 C ATOM 336 CG LYS A 23 4.612 -0.043 -0.479 1.00 52.04 C ATOM 337 CD LYS A 23 4.882 0.782 0.806 1.00 2.12 C ATOM 338 CE LYS A 23 6.389 0.896 1.116 1.00 63.51 C ATOM 339 NZ LYS A 23 7.158 1.460 -0.030 1.00 62.04 N ATOM 0 H LYS A 23 3.296 -2.307 -2.396 1.00 22.55 H new ATOM 0 HA LYS A 23 6.219 -1.858 -2.111 1.00 32.43 H new ATOM 0 HB2 LYS A 23 4.155 -2.072 0.135 1.00 20.42 H new ATOM 0 HB3 LYS A 23 5.847 -1.646 0.300 1.00 20.42 H new ATOM 0 HG2 LYS A 23 5.179 0.390 -1.303 1.00 52.04 H new ATOM 0 HG3 LYS A 23 3.557 0.043 -0.739 1.00 52.04 H new ATOM 0 HD2 LYS A 23 4.459 1.780 0.691 1.00 2.12 H new ATOM 0 HD3 LYS A 23 4.373 0.316 1.649 1.00 2.12 H new ATOM 0 HE2 LYS A 23 6.531 1.528 1.993 1.00 63.51 H new ATOM 0 HE3 LYS A 23 6.783 -0.089 1.366 1.00 63.51 H new ATOM 0 HZ1 LYS A 23 7.965 2.009 0.330 1.00 62.04 H new ATOM 0 HZ2 LYS A 23 7.506 0.685 -0.629 1.00 62.04 H new ATOM 0 HZ3 LYS A 23 6.540 2.080 -0.591 1.00 62.04 H new ATOM 353 N ARG A 24 6.710 -4.148 -1.095 1.00 24.24 N ATOM 354 CA ARG A 24 7.083 -5.530 -0.710 1.00 20.31 C ATOM 355 C ARG A 24 6.961 -5.749 0.823 1.00 50.34 C ATOM 356 O ARG A 24 6.767 -4.792 1.594 1.00 23.04 O ATOM 357 CB ARG A 24 8.549 -5.793 -1.157 1.00 11.02 C ATOM 358 CG ARG A 24 8.802 -5.637 -2.676 1.00 65.53 C ATOM 359 CD ARG A 24 10.306 -5.617 -3.028 1.00 74.10 C ATOM 360 NE ARG A 24 11.013 -4.488 -2.384 1.00 2.13 N ATOM 361 CZ ARG A 24 12.298 -4.239 -2.470 1.00 24.32 C ATOM 362 NH1 ARG A 24 13.092 -4.985 -3.166 1.00 24.32 N ATOM 363 NH2 ARG A 24 12.786 -3.221 -1.851 1.00 35.21 N ATOM 0 H ARG A 24 7.488 -3.492 -1.034 1.00 24.24 H new ATOM 0 HA ARG A 24 6.400 -6.224 -1.200 1.00 20.31 H new ATOM 0 HB2 ARG A 24 9.206 -5.108 -0.621 1.00 11.02 H new ATOM 0 HB3 ARG A 24 8.830 -6.803 -0.858 1.00 11.02 H new ATOM 0 HG2 ARG A 24 8.319 -6.457 -3.207 1.00 65.53 H new ATOM 0 HG3 ARG A 24 8.338 -4.714 -3.025 1.00 65.53 H new ATOM 0 HD2 ARG A 24 10.763 -6.556 -2.716 1.00 74.10 H new ATOM 0 HD3 ARG A 24 10.424 -5.549 -4.109 1.00 74.10 H new ATOM 0 HE ARG A 24 10.452 -3.847 -1.824 1.00 2.13 H new ATOM 0 HH11 ARG A 24 12.723 -5.793 -3.668 1.00 24.32 H new ATOM 0 HH12 ARG A 24 14.087 -4.765 -3.214 1.00 24.32 H new ATOM 0 HH21 ARG A 24 12.175 -2.618 -1.301 1.00 35.21 H new ATOM 0 HH22 ARG A 24 13.784 -3.018 -1.911 1.00 35.21 H new ATOM 377 N ALA A 25 7.091 -7.022 1.250 1.00 2.43 N ATOM 378 CA ALA A 25 7.228 -7.385 2.682 1.00 3.55 C ATOM 379 C ALA A 25 8.530 -6.788 3.284 1.00 54.32 C ATOM 380 O ALA A 25 8.553 -6.356 4.439 1.00 51.24 O ATOM 381 CB ALA A 25 7.201 -8.914 2.846 1.00 14.32 C ATOM 0 H ALA A 25 7.104 -7.824 0.620 1.00 2.43 H new ATOM 0 HA ALA A 25 6.385 -6.962 3.228 1.00 3.55 H new ATOM 0 HB1 ALA A 25 7.302 -9.169 3.901 1.00 14.32 H new ATOM 0 HB2 ALA A 25 6.256 -9.304 2.468 1.00 14.32 H new ATOM 0 HB3 ALA A 25 8.026 -9.355 2.286 1.00 14.32 H new ATOM 387 N SER A 26 9.612 -6.782 2.473 1.00 71.51 N ATOM 388 CA SER A 26 10.905 -6.122 2.816 1.00 52.44 C ATOM 389 C SER A 26 10.737 -4.609 3.115 1.00 52.54 C ATOM 390 O SER A 26 11.490 -4.038 3.909 1.00 34.03 O ATOM 391 CB SER A 26 11.918 -6.300 1.656 1.00 0.00 C ATOM 392 OG SER A 26 11.469 -5.656 0.467 1.00 70.20 O ATOM 0 H SER A 26 9.619 -7.234 1.559 1.00 71.51 H new ATOM 0 HA SER A 26 11.276 -6.604 3.721 1.00 52.44 H new ATOM 0 HB2 SER A 26 12.885 -5.891 1.950 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.067 -7.362 1.462 1.00 0.00 H new ATOM 0 HG SER A 26 12.130 -5.785 -0.245 1.00 70.20 H new ATOM 398 N ASP A 27 9.745 -3.969 2.459 1.00 62.44 N ATOM 399 CA ASP A 27 9.491 -2.514 2.589 1.00 52.34 C ATOM 400 C ASP A 27 8.608 -2.160 3.811 1.00 53.21 C ATOM 401 O ASP A 27 8.316 -0.977 4.036 1.00 51.31 O ATOM 402 CB ASP A 27 8.850 -1.974 1.282 1.00 60.10 C ATOM 403 CG ASP A 27 9.711 -2.210 0.028 1.00 50.14 C ATOM 404 OD1 ASP A 27 10.951 -2.294 0.143 1.00 35.45 O ATOM 405 OD2 ASP A 27 9.151 -2.296 -1.084 1.00 5.14 O ATOM 0 H ASP A 27 9.099 -4.442 1.827 1.00 62.44 H new ATOM 0 HA ASP A 27 10.455 -2.033 2.756 1.00 52.34 H new ATOM 0 HB2 ASP A 27 7.879 -2.449 1.140 1.00 60.10 H new ATOM 0 HB3 ASP A 27 8.668 -0.905 1.391 1.00 60.10 H new ATOM 410 N MET A 28 8.184 -3.184 4.584 1.00 44.01 N ATOM 411 CA MET A 28 7.426 -2.986 5.840 1.00 45.44 C ATOM 412 C MET A 28 8.308 -2.345 6.937 1.00 14.44 C ATOM 413 O MET A 28 9.434 -2.791 7.192 1.00 21.23 O ATOM 414 CB MET A 28 6.810 -4.324 6.344 1.00 1.03 C ATOM 415 CG MET A 28 5.575 -4.786 5.554 1.00 23.51 C ATOM 416 SD MET A 28 4.234 -3.571 5.618 1.00 44.44 S ATOM 417 CE MET A 28 3.845 -3.494 7.374 1.00 61.32 C ATOM 0 H MET A 28 8.356 -4.164 4.358 1.00 44.01 H new ATOM 0 HA MET A 28 6.610 -2.298 5.621 1.00 45.44 H new ATOM 0 HB2 MET A 28 7.571 -5.103 6.295 1.00 1.03 H new ATOM 0 HB3 MET A 28 6.536 -4.212 7.393 1.00 1.03 H new ATOM 0 HG2 MET A 28 5.855 -4.963 4.515 1.00 23.51 H new ATOM 0 HG3 MET A 28 5.223 -5.736 5.955 1.00 23.51 H new ATOM 0 HE1 MET A 28 2.764 -3.536 7.509 1.00 61.32 H new ATOM 0 HE2 MET A 28 4.308 -4.337 7.887 1.00 61.32 H new ATOM 0 HE3 MET A 28 4.227 -2.562 7.791 1.00 61.32 H new ATOM 427 N GLY A 29 7.768 -1.296 7.579 1.00 10.22 N ATOM 428 CA GLY A 29 8.491 -0.527 8.596 1.00 3.22 C ATOM 429 C GLY A 29 8.295 0.976 8.414 1.00 54.55 C ATOM 430 O GLY A 29 7.166 1.430 8.203 1.00 52.41 O ATOM 0 H GLY A 29 6.820 -0.961 7.406 1.00 10.22 H new ATOM 0 HA2 GLY A 29 8.147 -0.821 9.587 1.00 3.22 H new ATOM 0 HA3 GLY A 29 9.554 -0.764 8.544 1.00 3.22 H new ATOM 434 N LYS A 30 9.399 1.746 8.464 1.00 4.35 N ATOM 435 CA LYS A 30 9.369 3.225 8.295 1.00 11.33 C ATOM 436 C LYS A 30 8.945 3.620 6.865 1.00 15.14 C ATOM 437 O LYS A 30 8.160 4.549 6.689 1.00 72.32 O ATOM 438 CB LYS A 30 10.747 3.877 8.638 1.00 34.44 C ATOM 439 CG LYS A 30 11.122 3.886 10.145 1.00 72.10 C ATOM 440 CD LYS A 30 11.479 2.492 10.719 1.00 74.42 C ATOM 441 CE LYS A 30 11.688 2.509 12.245 1.00 62.13 C ATOM 442 NZ LYS A 30 12.741 3.468 12.670 1.00 44.14 N ATOM 0 H LYS A 30 10.334 1.371 8.621 1.00 4.35 H new ATOM 0 HA LYS A 30 8.627 3.604 8.998 1.00 11.33 H new ATOM 0 HB2 LYS A 30 11.527 3.348 8.090 1.00 34.44 H new ATOM 0 HB3 LYS A 30 10.744 4.905 8.275 1.00 34.44 H new ATOM 0 HG2 LYS A 30 11.969 4.555 10.293 1.00 72.10 H new ATOM 0 HG3 LYS A 30 10.288 4.298 10.713 1.00 72.10 H new ATOM 0 HD2 LYS A 30 10.683 1.789 10.474 1.00 74.42 H new ATOM 0 HD3 LYS A 30 12.386 2.127 10.237 1.00 74.42 H new ATOM 0 HE2 LYS A 30 10.748 2.768 12.733 1.00 62.13 H new ATOM 0 HE3 LYS A 30 11.957 1.508 12.582 1.00 62.13 H new ATOM 0 HZ1 LYS A 30 12.864 3.414 13.701 1.00 44.14 H new ATOM 0 HZ2 LYS A 30 13.638 3.229 12.201 1.00 44.14 H new ATOM 0 HZ3 LYS A 30 12.459 4.433 12.405 1.00 44.14 H new ATOM 456 N SER A 31 9.447 2.856 5.871 1.00 13.32 N ATOM 457 CA SER A 31 9.244 3.119 4.416 1.00 11.14 C ATOM 458 C SER A 31 7.750 3.277 4.017 1.00 44.20 C ATOM 459 O SER A 31 7.419 4.052 3.113 1.00 11.31 O ATOM 460 CB SER A 31 9.891 1.982 3.581 1.00 54.43 C ATOM 461 OG SER A 31 11.271 1.823 3.892 1.00 30.10 O ATOM 0 H SER A 31 10.013 2.027 6.051 1.00 13.32 H new ATOM 0 HA SER A 31 9.726 4.073 4.203 1.00 11.14 H new ATOM 0 HB2 SER A 31 9.365 1.046 3.770 1.00 54.43 H new ATOM 0 HB3 SER A 31 9.780 2.201 2.519 1.00 54.43 H new ATOM 0 HG SER A 31 11.647 1.098 3.350 1.00 30.10 H new ATOM 467 N VAL A 32 6.862 2.535 4.703 1.00 2.11 N ATOM 468 CA VAL A 32 5.401 2.582 4.453 1.00 32.50 C ATOM 469 C VAL A 32 4.778 3.929 4.927 1.00 23.41 C ATOM 470 O VAL A 32 3.894 4.491 4.273 1.00 23.11 O ATOM 471 CB VAL A 32 4.669 1.379 5.172 1.00 42.32 C ATOM 472 CG1 VAL A 32 3.164 1.328 4.810 1.00 32.50 C ATOM 473 CG2 VAL A 32 5.352 0.022 4.854 1.00 60.55 C ATOM 0 H VAL A 32 7.130 1.887 5.444 1.00 2.11 H new ATOM 0 HA VAL A 32 5.259 2.498 3.376 1.00 32.50 H new ATOM 0 HB VAL A 32 4.752 1.555 6.245 1.00 42.32 H new ATOM 0 HG11 VAL A 32 2.695 0.488 5.323 1.00 32.50 H new ATOM 0 HG12 VAL A 32 2.684 2.256 5.119 1.00 32.50 H new ATOM 0 HG13 VAL A 32 3.053 1.203 3.733 1.00 32.50 H new ATOM 0 HG21 VAL A 32 4.821 -0.781 5.365 1.00 60.55 H new ATOM 0 HG22 VAL A 32 5.328 -0.154 3.779 1.00 60.55 H new ATOM 0 HG23 VAL A 32 6.387 0.047 5.194 1.00 60.55 H new ATOM 483 N MET A 33 5.319 4.458 6.032 1.00 21.43 N ATOM 484 CA MET A 33 4.686 5.538 6.823 1.00 73.35 C ATOM 485 C MET A 33 4.763 6.926 6.136 1.00 31.11 C ATOM 486 O MET A 33 3.785 7.684 6.172 1.00 62.44 O ATOM 487 CB MET A 33 5.314 5.595 8.240 1.00 33.22 C ATOM 488 CG MET A 33 5.412 4.225 8.943 1.00 33.40 C ATOM 489 SD MET A 33 3.902 3.235 8.812 1.00 24.22 S ATOM 490 CE MET A 33 2.695 4.255 9.650 1.00 14.20 C ATOM 0 H MET A 33 6.215 4.151 6.411 1.00 21.43 H new ATOM 0 HA MET A 33 3.626 5.295 6.899 1.00 73.35 H new ATOM 0 HB2 MET A 33 6.313 6.025 8.166 1.00 33.22 H new ATOM 0 HB3 MET A 33 4.723 6.268 8.861 1.00 33.22 H new ATOM 0 HG2 MET A 33 6.243 3.664 8.514 1.00 33.40 H new ATOM 0 HG3 MET A 33 5.644 4.382 9.996 1.00 33.40 H new ATOM 0 HE1 MET A 33 1.715 3.782 9.591 1.00 14.20 H new ATOM 0 HE2 MET A 33 2.980 4.371 10.696 1.00 14.20 H new ATOM 0 HE3 MET A 33 2.654 5.235 9.175 1.00 14.20 H new ATOM 500 N GLU A 34 5.926 7.259 5.527 1.00 22.32 N ATOM 501 CA GLU A 34 6.068 8.500 4.705 1.00 12.44 C ATOM 502 C GLU A 34 5.179 8.452 3.432 1.00 40.10 C ATOM 503 O GLU A 34 4.794 9.502 2.904 1.00 34.00 O ATOM 504 CB GLU A 34 7.556 8.836 4.345 1.00 54.32 C ATOM 505 CG GLU A 34 8.464 7.629 3.946 1.00 41.12 C ATOM 506 CD GLU A 34 9.293 7.039 5.109 1.00 30.50 C ATOM 507 OE1 GLU A 34 8.907 7.219 6.291 1.00 54.13 O ATOM 508 OE2 GLU A 34 10.324 6.381 4.846 1.00 1.23 O ATOM 0 H GLU A 34 6.775 6.697 5.584 1.00 22.32 H new ATOM 0 HA GLU A 34 5.712 9.315 5.335 1.00 12.44 H new ATOM 0 HB2 GLU A 34 7.555 9.550 3.521 1.00 54.32 H new ATOM 0 HB3 GLU A 34 8.010 9.337 5.200 1.00 54.32 H new ATOM 0 HG2 GLU A 34 7.837 6.842 3.527 1.00 41.12 H new ATOM 0 HG3 GLU A 34 9.145 7.948 3.157 1.00 41.12 H new ATOM 515 N THR A 35 4.872 7.238 2.941 1.00 21.20 N ATOM 516 CA THR A 35 3.916 7.054 1.826 1.00 53.10 C ATOM 517 C THR A 35 2.449 7.319 2.293 1.00 15.33 C ATOM 518 O THR A 35 1.675 7.964 1.581 1.00 24.44 O ATOM 519 CB THR A 35 4.032 5.616 1.203 1.00 11.43 C ATOM 520 OG1 THR A 35 5.395 5.344 0.821 1.00 53.20 O ATOM 521 CG2 THR A 35 3.130 5.441 -0.030 1.00 42.33 C ATOM 0 H THR A 35 5.270 6.368 3.296 1.00 21.20 H new ATOM 0 HA THR A 35 4.173 7.782 1.057 1.00 53.10 H new ATOM 0 HB THR A 35 3.705 4.915 1.971 1.00 11.43 H new ATOM 0 HG1 THR A 35 5.407 4.675 0.105 1.00 53.20 H new ATOM 0 HG21 THR A 35 3.245 4.432 -0.425 1.00 42.33 H new ATOM 0 HG22 THR A 35 2.090 5.603 0.254 1.00 42.33 H new ATOM 0 HG23 THR A 35 3.414 6.164 -0.794 1.00 42.33 H new ATOM 529 N VAL A 36 2.091 6.840 3.512 1.00 5.25 N ATOM 530 CA VAL A 36 0.725 7.010 4.094 1.00 42.22 C ATOM 531 C VAL A 36 0.389 8.510 4.366 1.00 31.01 C ATOM 532 O VAL A 36 -0.713 8.975 4.029 1.00 13.24 O ATOM 533 CB VAL A 36 0.544 6.162 5.421 1.00 24.45 C ATOM 534 CG1 VAL A 36 -0.845 6.393 6.085 1.00 4.31 C ATOM 535 CG2 VAL A 36 0.767 4.651 5.150 1.00 5.30 C ATOM 0 H VAL A 36 2.732 6.328 4.119 1.00 5.25 H new ATOM 0 HA VAL A 36 0.024 6.636 3.348 1.00 42.22 H new ATOM 0 HB VAL A 36 1.303 6.510 6.122 1.00 24.45 H new ATOM 0 HG11 VAL A 36 -0.920 5.790 6.990 1.00 4.31 H new ATOM 0 HG12 VAL A 36 -0.955 7.447 6.341 1.00 4.31 H new ATOM 0 HG13 VAL A 36 -1.633 6.104 5.390 1.00 4.31 H new ATOM 0 HG21 VAL A 36 0.637 4.092 6.077 1.00 5.30 H new ATOM 0 HG22 VAL A 36 0.044 4.303 4.412 1.00 5.30 H new ATOM 0 HG23 VAL A 36 1.777 4.495 4.771 1.00 5.30 H new ATOM 545 N ILE A 37 1.360 9.263 4.946 1.00 62.23 N ATOM 546 CA ILE A 37 1.169 10.705 5.280 1.00 20.34 C ATOM 547 C ILE A 37 0.933 11.561 4.006 1.00 74.41 C ATOM 548 O ILE A 37 0.245 12.585 4.065 1.00 73.23 O ATOM 549 CB ILE A 37 2.353 11.334 6.123 1.00 20.01 C ATOM 550 CG1 ILE A 37 3.687 11.381 5.307 1.00 71.14 C ATOM 551 CG2 ILE A 37 2.546 10.578 7.460 1.00 32.14 C ATOM 552 CD1 ILE A 37 4.857 12.070 6.000 1.00 42.13 C ATOM 0 H ILE A 37 2.281 8.900 5.192 1.00 62.23 H new ATOM 0 HA ILE A 37 0.279 10.727 5.909 1.00 20.34 H new ATOM 0 HB ILE A 37 2.077 12.363 6.352 1.00 20.01 H new ATOM 0 HG12 ILE A 37 3.981 10.360 5.066 1.00 71.14 H new ATOM 0 HG13 ILE A 37 3.497 11.890 4.362 1.00 71.14 H new ATOM 0 HG21 ILE A 37 3.365 11.031 8.019 1.00 32.14 H new ATOM 0 HG22 ILE A 37 1.630 10.637 8.047 1.00 32.14 H new ATOM 0 HG23 ILE A 37 2.779 9.533 7.257 1.00 32.14 H new ATOM 0 HD11 ILE A 37 5.731 12.047 5.349 1.00 42.13 H new ATOM 0 HD12 ILE A 37 4.593 13.105 6.217 1.00 42.13 H new ATOM 0 HD13 ILE A 37 5.085 11.551 6.931 1.00 42.13 H new ATOM 564 N ALA A 38 1.508 11.125 2.859 1.00 11.14 N ATOM 565 CA ALA A 38 1.366 11.832 1.560 1.00 42.25 C ATOM 566 C ALA A 38 -0.123 12.017 1.168 1.00 1.40 C ATOM 567 O ALA A 38 -0.544 13.099 0.761 1.00 10.01 O ATOM 568 CB ALA A 38 2.129 11.065 0.463 1.00 73.43 C ATOM 0 H ALA A 38 2.079 10.281 2.806 1.00 11.14 H new ATOM 0 HA ALA A 38 1.796 12.828 1.665 1.00 42.25 H new ATOM 0 HB1 ALA A 38 2.022 11.587 -0.488 1.00 73.43 H new ATOM 0 HB2 ALA A 38 3.185 11.006 0.728 1.00 73.43 H new ATOM 0 HB3 ALA A 38 1.721 10.058 0.372 1.00 73.43 H new ATOM 574 N PHE A 39 -0.915 10.952 1.371 1.00 23.44 N ATOM 575 CA PHE A 39 -2.363 10.939 1.058 1.00 44.12 C ATOM 576 C PHE A 39 -3.194 11.583 2.201 1.00 43.42 C ATOM 577 O PHE A 39 -4.168 12.294 1.948 1.00 64.32 O ATOM 578 CB PHE A 39 -2.837 9.483 0.802 1.00 3.21 C ATOM 579 CG PHE A 39 -1.958 8.703 -0.181 1.00 43.05 C ATOM 580 CD1 PHE A 39 -1.820 9.122 -1.503 1.00 71.44 C ATOM 581 CD2 PHE A 39 -1.258 7.565 0.221 1.00 11.33 C ATOM 582 CE1 PHE A 39 -1.011 8.432 -2.385 1.00 43.12 C ATOM 583 CE2 PHE A 39 -0.447 6.877 -0.662 1.00 44.21 C ATOM 584 CZ PHE A 39 -0.325 7.309 -1.966 1.00 33.11 C ATOM 0 H PHE A 39 -0.574 10.072 1.757 1.00 23.44 H new ATOM 0 HA PHE A 39 -2.521 11.532 0.157 1.00 44.12 H new ATOM 0 HB2 PHE A 39 -2.864 8.949 1.752 1.00 3.21 H new ATOM 0 HB3 PHE A 39 -3.858 9.506 0.420 1.00 3.21 H new ATOM 0 HD1 PHE A 39 -2.353 9.998 -1.843 1.00 71.44 H new ATOM 0 HD2 PHE A 39 -1.351 7.216 1.239 1.00 11.33 H new ATOM 0 HE1 PHE A 39 -0.915 8.772 -3.406 1.00 43.12 H new ATOM 0 HE2 PHE A 39 0.091 6.001 -0.331 1.00 44.21 H new ATOM 0 HZ PHE A 39 0.306 6.770 -2.658 1.00 33.11 H new ATOM 594 N ALA A 40 -2.765 11.338 3.457 1.00 3.12 N ATOM 595 CA ALA A 40 -3.491 11.779 4.679 1.00 42.24 C ATOM 596 C ALA A 40 -3.446 13.316 4.920 1.00 41.54 C ATOM 597 O ALA A 40 -4.303 13.864 5.625 1.00 54.05 O ATOM 598 CB ALA A 40 -2.917 11.041 5.901 1.00 70.41 C ATOM 0 H ALA A 40 -1.905 10.828 3.659 1.00 3.12 H new ATOM 0 HA ALA A 40 -4.541 11.529 4.528 1.00 42.24 H new ATOM 0 HB1 ALA A 40 -3.445 11.360 6.800 1.00 70.41 H new ATOM 0 HB2 ALA A 40 -3.042 9.966 5.769 1.00 70.41 H new ATOM 0 HB3 ALA A 40 -1.857 11.273 6.001 1.00 70.41 H new ATOM 604 N ASN A 41 -2.430 14.009 4.363 1.00 33.42 N ATOM 605 CA ASN A 41 -2.226 15.469 4.602 1.00 20.02 C ATOM 606 C ASN A 41 -2.562 16.352 3.380 1.00 14.20 C ATOM 607 O ASN A 41 -2.593 17.578 3.509 1.00 63.23 O ATOM 608 CB ASN A 41 -0.782 15.728 5.095 1.00 64.10 C ATOM 609 CG ASN A 41 -0.562 15.186 6.510 1.00 24.24 C ATOM 610 OD1 ASN A 41 -0.733 15.897 7.495 1.00 74.32 O ATOM 611 ND2 ASN A 41 -0.241 13.918 6.626 1.00 72.42 N ATOM 0 H ASN A 41 -1.735 13.589 3.745 1.00 33.42 H new ATOM 0 HA ASN A 41 -2.935 15.761 5.377 1.00 20.02 H new ATOM 0 HB2 ASN A 41 -0.074 15.259 4.411 1.00 64.10 H new ATOM 0 HB3 ASN A 41 -0.578 16.799 5.079 1.00 64.10 H new ATOM 0 HD21 ASN A 41 -0.128 13.503 7.551 1.00 72.42 H new ATOM 0 HD22 ASN A 41 -0.104 13.348 5.791 1.00 72.42 H new ATOM 618 N GLU A 42 -2.822 15.744 2.207 1.00 11.42 N ATOM 619 CA GLU A 42 -3.281 16.486 1.001 1.00 10.33 C ATOM 620 C GLU A 42 -4.835 16.480 0.914 1.00 32.14 C ATOM 621 O GLU A 42 -5.429 15.436 0.616 1.00 54.34 O ATOM 622 CB GLU A 42 -2.627 15.904 -0.288 1.00 45.34 C ATOM 623 CG GLU A 42 -1.120 16.234 -0.417 1.00 2.22 C ATOM 624 CD GLU A 42 -0.448 15.670 -1.683 1.00 0.31 C ATOM 625 OE1 GLU A 42 -0.809 16.106 -2.804 1.00 62.22 O ATOM 626 OE2 GLU A 42 0.455 14.813 -1.561 1.00 14.14 O ATOM 0 H GLU A 42 -2.724 14.739 2.062 1.00 11.42 H new ATOM 0 HA GLU A 42 -2.961 17.524 1.087 1.00 10.33 H new ATOM 0 HB2 GLU A 42 -2.756 14.822 -0.295 1.00 45.34 H new ATOM 0 HB3 GLU A 42 -3.152 16.293 -1.160 1.00 45.34 H new ATOM 0 HG2 GLU A 42 -0.996 17.317 -0.407 1.00 2.22 H new ATOM 0 HG3 GLU A 42 -0.600 15.846 0.459 1.00 2.22 H new ATOM 633 N PRO A 43 -5.515 17.657 1.197 1.00 52.34 N ATOM 634 CA PRO A 43 -7.001 17.754 1.195 1.00 33.43 C ATOM 635 C PRO A 43 -7.612 17.547 -0.212 1.00 4.12 C ATOM 636 O PRO A 43 -7.256 18.252 -1.161 1.00 11.31 O ATOM 637 CB PRO A 43 -7.282 19.195 1.734 1.00 53.13 C ATOM 638 CG PRO A 43 -5.985 19.634 2.350 1.00 22.32 C ATOM 639 CD PRO A 43 -4.905 18.971 1.531 1.00 15.32 C ATOM 0 HA PRO A 43 -7.458 16.974 1.803 1.00 33.43 H new ATOM 0 HB2 PRO A 43 -7.585 19.866 0.930 1.00 53.13 H new ATOM 0 HB3 PRO A 43 -8.088 19.193 2.468 1.00 53.13 H new ATOM 0 HG2 PRO A 43 -5.886 20.719 2.325 1.00 22.32 H new ATOM 0 HG3 PRO A 43 -5.925 19.333 3.396 1.00 22.32 H new ATOM 0 HD2 PRO A 43 -4.664 19.545 0.637 1.00 15.32 H new ATOM 0 HD3 PRO A 43 -3.980 18.857 2.096 1.00 15.32 H new ATOM 647 N GLY A 44 -8.523 16.570 -0.334 1.00 32.15 N ATOM 648 CA GLY A 44 -9.220 16.293 -1.602 1.00 1.32 C ATOM 649 C GLY A 44 -8.573 15.191 -2.440 1.00 44.32 C ATOM 650 O GLY A 44 -9.011 14.937 -3.571 1.00 63.11 O ATOM 0 H GLY A 44 -8.796 15.955 0.433 1.00 32.15 H new ATOM 0 HA2 GLY A 44 -10.250 16.012 -1.384 1.00 1.32 H new ATOM 0 HA3 GLY A 44 -9.257 17.209 -2.192 1.00 1.32 H new ATOM 654 N LEU A 45 -7.531 14.522 -1.901 1.00 23.14 N ATOM 655 CA LEU A 45 -6.821 13.418 -2.594 1.00 42.32 C ATOM 656 C LEU A 45 -7.476 12.033 -2.272 1.00 2.35 C ATOM 657 O LEU A 45 -6.880 10.982 -2.544 1.00 54.14 O ATOM 658 CB LEU A 45 -5.313 13.456 -2.169 1.00 40.44 C ATOM 659 CG LEU A 45 -4.305 12.634 -3.045 1.00 41.22 C ATOM 660 CD1 LEU A 45 -4.242 13.174 -4.493 1.00 52.12 C ATOM 661 CD2 LEU A 45 -2.902 12.604 -2.396 1.00 41.45 C ATOM 0 H LEU A 45 -7.157 14.729 -0.975 1.00 23.14 H new ATOM 0 HA LEU A 45 -6.896 13.551 -3.673 1.00 42.32 H new ATOM 0 HB2 LEU A 45 -4.988 14.497 -2.165 1.00 40.44 H new ATOM 0 HB3 LEU A 45 -5.241 13.096 -1.143 1.00 40.44 H new ATOM 0 HG LEU A 45 -4.672 11.609 -3.096 1.00 41.22 H new ATOM 0 HD11 LEU A 45 -3.534 12.581 -5.072 1.00 52.12 H new ATOM 0 HD12 LEU A 45 -5.230 13.107 -4.949 1.00 52.12 H new ATOM 0 HD13 LEU A 45 -3.918 14.215 -4.479 1.00 52.12 H new ATOM 0 HD21 LEU A 45 -2.223 12.028 -3.024 1.00 41.45 H new ATOM 0 HD22 LEU A 45 -2.526 13.622 -2.294 1.00 41.45 H new ATOM 0 HD23 LEU A 45 -2.966 12.141 -1.411 1.00 41.45 H new ATOM 673 N ASP A 46 -8.703 12.077 -1.682 1.00 14.50 N ATOM 674 CA ASP A 46 -9.563 10.902 -1.346 1.00 71.21 C ATOM 675 C ASP A 46 -9.421 9.708 -2.330 1.00 51.24 C ATOM 676 O ASP A 46 -9.807 9.804 -3.500 1.00 13.10 O ATOM 677 CB ASP A 46 -11.051 11.333 -1.304 1.00 24.32 C ATOM 678 CG ASP A 46 -11.336 12.477 -0.322 1.00 71.10 C ATOM 679 OD1 ASP A 46 -11.110 13.646 -0.693 1.00 70.12 O ATOM 680 OD2 ASP A 46 -11.799 12.219 0.810 1.00 4.12 O ATOM 0 H ASP A 46 -9.137 12.961 -1.417 1.00 14.50 H new ATOM 0 HA ASP A 46 -9.219 10.555 -0.372 1.00 71.21 H new ATOM 0 HB2 ASP A 46 -11.359 11.639 -2.304 1.00 24.32 H new ATOM 0 HB3 ASP A 46 -11.662 10.472 -1.032 1.00 24.32 H new ATOM 685 N GLY A 47 -8.859 8.593 -1.838 1.00 40.41 N ATOM 686 CA GLY A 47 -8.647 7.394 -2.651 1.00 24.24 C ATOM 687 C GLY A 47 -7.194 7.218 -3.075 1.00 35.14 C ATOM 688 O GLY A 47 -6.867 7.353 -4.260 1.00 45.31 O ATOM 0 H GLY A 47 -8.542 8.501 -0.873 1.00 40.41 H new ATOM 0 HA2 GLY A 47 -8.965 6.517 -2.087 1.00 24.24 H new ATOM 0 HA3 GLY A 47 -9.276 7.447 -3.539 1.00 24.24 H new ATOM 692 N GLY A 48 -6.307 6.921 -2.101 1.00 41.14 N ATOM 693 CA GLY A 48 -4.912 6.554 -2.372 1.00 43.41 C ATOM 694 C GLY A 48 -4.599 5.208 -1.718 1.00 23.34 C ATOM 695 O GLY A 48 -4.805 5.041 -0.507 1.00 42.45 O ATOM 0 H GLY A 48 -6.543 6.931 -1.109 1.00 41.14 H new ATOM 0 HA2 GLY A 48 -4.743 6.495 -3.447 1.00 43.41 H new ATOM 0 HA3 GLY A 48 -4.242 7.322 -1.986 1.00 43.41 H new ATOM 699 N TYR A 49 -4.119 4.233 -2.509 1.00 13.34 N ATOM 700 CA TYR A 49 -3.989 2.824 -2.069 1.00 1.05 C ATOM 701 C TYR A 49 -2.531 2.330 -2.152 1.00 24.33 C ATOM 702 O TYR A 49 -1.892 2.431 -3.195 1.00 61.52 O ATOM 703 CB TYR A 49 -4.871 1.904 -2.946 1.00 30.12 C ATOM 704 CG TYR A 49 -6.389 2.139 -2.837 1.00 32.30 C ATOM 705 CD1 TYR A 49 -7.007 3.222 -3.473 1.00 12.22 C ATOM 706 CD2 TYR A 49 -7.201 1.266 -2.113 1.00 33.45 C ATOM 707 CE1 TYR A 49 -8.371 3.419 -3.384 1.00 31.45 C ATOM 708 CE2 TYR A 49 -8.562 1.454 -2.032 1.00 43.50 C ATOM 709 CZ TYR A 49 -9.143 2.532 -2.668 1.00 20.32 C ATOM 710 OH TYR A 49 -10.503 2.712 -2.592 1.00 34.34 O ATOM 0 H TYR A 49 -3.810 4.393 -3.468 1.00 13.34 H new ATOM 0 HA TYR A 49 -4.315 2.784 -1.030 1.00 1.05 H new ATOM 0 HB2 TYR A 49 -4.575 2.032 -3.987 1.00 30.12 H new ATOM 0 HB3 TYR A 49 -4.661 0.868 -2.680 1.00 30.12 H new ATOM 0 HD1 TYR A 49 -6.407 3.916 -4.043 1.00 12.22 H new ATOM 0 HD2 TYR A 49 -6.752 0.425 -1.605 1.00 33.45 H new ATOM 0 HE1 TYR A 49 -8.830 4.265 -3.874 1.00 31.45 H new ATOM 0 HE2 TYR A 49 -9.173 0.761 -1.473 1.00 43.50 H new ATOM 0 HH TYR A 49 -10.923 2.379 -3.412 1.00 34.34 H new ATOM 720 N LEU A 50 -2.028 1.774 -1.047 1.00 44.44 N ATOM 721 CA LEU A 50 -0.745 1.047 -1.019 1.00 60.23 C ATOM 722 C LEU A 50 -1.036 -0.457 -1.237 1.00 42.32 C ATOM 723 O LEU A 50 -1.745 -1.062 -0.427 1.00 62.32 O ATOM 724 CB LEU A 50 -0.005 1.254 0.343 1.00 33.43 C ATOM 725 CG LEU A 50 0.444 2.711 0.708 1.00 60.04 C ATOM 726 CD1 LEU A 50 -0.747 3.632 1.063 1.00 72.03 C ATOM 727 CD2 LEU A 50 1.477 2.693 1.856 1.00 72.31 C ATOM 0 H LEU A 50 -2.496 1.812 -0.142 1.00 44.44 H new ATOM 0 HA LEU A 50 -0.097 1.431 -1.807 1.00 60.23 H new ATOM 0 HB2 LEU A 50 -0.657 0.894 1.138 1.00 33.43 H new ATOM 0 HB3 LEU A 50 0.881 0.619 0.345 1.00 33.43 H new ATOM 0 HG LEU A 50 0.911 3.128 -0.184 1.00 60.04 H new ATOM 0 HD11 LEU A 50 -0.377 4.628 1.307 1.00 72.03 H new ATOM 0 HD12 LEU A 50 -1.424 3.695 0.211 1.00 72.03 H new ATOM 0 HD13 LEU A 50 -1.280 3.223 1.921 1.00 72.03 H new ATOM 0 HD21 LEU A 50 1.775 3.714 2.093 1.00 72.31 H new ATOM 0 HD22 LEU A 50 1.033 2.230 2.738 1.00 72.31 H new ATOM 0 HD23 LEU A 50 2.353 2.122 1.548 1.00 72.31 H new ATOM 739 N LEU A 51 -0.513 -1.067 -2.321 1.00 34.22 N ATOM 740 CA LEU A 51 -0.751 -2.508 -2.593 1.00 62.43 C ATOM 741 C LEU A 51 0.507 -3.327 -2.223 1.00 23.14 C ATOM 742 O LEU A 51 1.538 -3.253 -2.893 1.00 11.30 O ATOM 743 CB LEU A 51 -1.158 -2.745 -4.077 1.00 15.50 C ATOM 744 CG LEU A 51 -1.628 -4.201 -4.412 1.00 62.41 C ATOM 745 CD1 LEU A 51 -2.837 -4.609 -3.546 1.00 23.44 C ATOM 746 CD2 LEU A 51 -1.935 -4.371 -5.920 1.00 55.42 C ATOM 0 H LEU A 51 0.068 -0.597 -3.015 1.00 34.22 H new ATOM 0 HA LEU A 51 -1.583 -2.844 -1.974 1.00 62.43 H new ATOM 0 HB2 LEU A 51 -1.960 -2.053 -4.333 1.00 15.50 H new ATOM 0 HB3 LEU A 51 -0.309 -2.498 -4.714 1.00 15.50 H new ATOM 0 HG LEU A 51 -0.803 -4.872 -4.172 1.00 62.41 H new ATOM 0 HD11 LEU A 51 -3.141 -5.624 -3.801 1.00 23.44 H new ATOM 0 HD12 LEU A 51 -2.561 -4.567 -2.492 1.00 23.44 H new ATOM 0 HD13 LEU A 51 -3.665 -3.925 -3.732 1.00 23.44 H new ATOM 0 HD21 LEU A 51 -2.258 -5.394 -6.112 1.00 55.42 H new ATOM 0 HD22 LEU A 51 -2.726 -3.680 -6.210 1.00 55.42 H new ATOM 0 HD23 LEU A 51 -1.037 -4.159 -6.500 1.00 55.42 H new ATOM 758 N LEU A 52 0.383 -4.122 -1.148 1.00 21.32 N ATOM 759 CA LEU A 52 1.503 -4.882 -0.547 1.00 30.03 C ATOM 760 C LEU A 52 1.484 -6.350 -1.019 1.00 64.11 C ATOM 761 O LEU A 52 0.444 -7.006 -0.984 1.00 43.21 O ATOM 762 CB LEU A 52 1.458 -4.797 1.015 1.00 2.44 C ATOM 763 CG LEU A 52 1.964 -3.462 1.667 1.00 34.21 C ATOM 764 CD1 LEU A 52 1.169 -2.225 1.204 1.00 60.53 C ATOM 765 CD2 LEU A 52 1.950 -3.565 3.208 1.00 2.13 C ATOM 0 H LEU A 52 -0.504 -4.260 -0.663 1.00 21.32 H new ATOM 0 HA LEU A 52 2.437 -4.432 -0.882 1.00 30.03 H new ATOM 0 HB2 LEU A 52 0.429 -4.962 1.334 1.00 2.44 H new ATOM 0 HB3 LEU A 52 2.052 -5.618 1.417 1.00 2.44 H new ATOM 0 HG LEU A 52 2.990 -3.323 1.326 1.00 34.21 H new ATOM 0 HD11 LEU A 52 1.567 -1.334 1.690 1.00 60.53 H new ATOM 0 HD12 LEU A 52 1.258 -2.119 0.123 1.00 60.53 H new ATOM 0 HD13 LEU A 52 0.119 -2.346 1.471 1.00 60.53 H new ATOM 0 HD21 LEU A 52 2.305 -2.628 3.638 1.00 2.13 H new ATOM 0 HD22 LEU A 52 0.934 -3.760 3.550 1.00 2.13 H new ATOM 0 HD23 LEU A 52 2.602 -4.379 3.524 1.00 2.13 H new ATOM 777 N GLY A 53 2.652 -6.850 -1.449 1.00 14.54 N ATOM 778 CA GLY A 53 2.782 -8.209 -1.999 1.00 1.21 C ATOM 779 C GLY A 53 2.851 -8.216 -3.522 1.00 54.53 C ATOM 780 O GLY A 53 2.346 -9.132 -4.179 1.00 73.21 O ATOM 0 H GLY A 53 3.528 -6.328 -1.426 1.00 14.54 H new ATOM 0 HA2 GLY A 53 3.680 -8.677 -1.595 1.00 1.21 H new ATOM 0 HA3 GLY A 53 1.934 -8.812 -1.674 1.00 1.21 H new ATOM 784 N VAL A 54 3.455 -7.165 -4.094 1.00 41.32 N ATOM 785 CA VAL A 54 3.675 -7.055 -5.550 1.00 21.32 C ATOM 786 C VAL A 54 5.185 -7.128 -5.882 1.00 14.13 C ATOM 787 O VAL A 54 6.022 -6.557 -5.175 1.00 61.31 O ATOM 788 CB VAL A 54 3.080 -5.701 -6.105 1.00 31.11 C ATOM 789 CG1 VAL A 54 3.236 -5.574 -7.646 1.00 21.50 C ATOM 790 CG2 VAL A 54 1.601 -5.533 -5.693 1.00 1.21 C ATOM 0 H VAL A 54 3.806 -6.367 -3.565 1.00 41.32 H new ATOM 0 HA VAL A 54 3.164 -7.891 -6.028 1.00 21.32 H new ATOM 0 HB VAL A 54 3.660 -4.896 -5.654 1.00 31.11 H new ATOM 0 HG11 VAL A 54 2.812 -4.626 -7.978 1.00 21.50 H new ATOM 0 HG12 VAL A 54 4.293 -5.610 -7.909 1.00 21.50 H new ATOM 0 HG13 VAL A 54 2.713 -6.396 -8.134 1.00 21.50 H new ATOM 0 HG21 VAL A 54 1.218 -4.592 -6.089 1.00 1.21 H new ATOM 0 HG22 VAL A 54 1.016 -6.361 -6.093 1.00 1.21 H new ATOM 0 HG23 VAL A 54 1.525 -5.527 -4.606 1.00 1.21 H new ATOM 800 N ASP A 55 5.504 -7.860 -6.954 1.00 24.53 N ATOM 801 CA ASP A 55 6.846 -7.903 -7.556 1.00 24.33 C ATOM 802 C ASP A 55 6.780 -7.133 -8.887 1.00 60.52 C ATOM 803 O ASP A 55 5.748 -7.137 -9.557 1.00 34.54 O ATOM 804 CB ASP A 55 7.273 -9.378 -7.797 1.00 22.30 C ATOM 805 CG ASP A 55 8.744 -9.554 -8.230 1.00 23.31 C ATOM 806 OD1 ASP A 55 9.088 -9.224 -9.386 1.00 51.21 O ATOM 807 OD2 ASP A 55 9.569 -10.026 -7.417 1.00 12.40 O ATOM 0 H ASP A 55 4.827 -8.450 -7.438 1.00 24.53 H new ATOM 0 HA ASP A 55 7.583 -7.448 -6.894 1.00 24.33 H new ATOM 0 HB2 ASP A 55 7.106 -9.946 -6.882 1.00 22.30 H new ATOM 0 HB3 ASP A 55 6.628 -9.810 -8.562 1.00 22.30 H new ATOM 812 N TRP A 56 7.869 -6.472 -9.260 1.00 11.15 N ATOM 813 CA TRP A 56 7.964 -5.758 -10.545 1.00 1.02 C ATOM 814 C TRP A 56 9.248 -6.174 -11.299 1.00 33.00 C ATOM 815 O TRP A 56 10.357 -6.109 -10.754 1.00 61.55 O ATOM 816 CB TRP A 56 7.867 -4.220 -10.318 1.00 33.43 C ATOM 817 CG TRP A 56 8.682 -3.690 -9.149 1.00 63.15 C ATOM 818 CD1 TRP A 56 9.985 -3.260 -9.157 1.00 21.34 C ATOM 819 CD2 TRP A 56 8.222 -3.528 -7.800 1.00 74.52 C ATOM 820 NE1 TRP A 56 10.362 -2.878 -7.894 1.00 11.14 N ATOM 821 CE2 TRP A 56 9.296 -3.030 -7.044 1.00 14.21 C ATOM 822 CE3 TRP A 56 7.005 -3.779 -7.158 1.00 12.31 C ATOM 823 CZ2 TRP A 56 9.185 -2.757 -5.681 1.00 63.41 C ATOM 824 CZ3 TRP A 56 6.895 -3.510 -5.809 1.00 73.44 C ATOM 825 CH2 TRP A 56 7.981 -3.010 -5.080 1.00 51.23 C ATOM 0 H TRP A 56 8.712 -6.411 -8.689 1.00 11.15 H new ATOM 0 HA TRP A 56 7.123 -6.037 -11.179 1.00 1.02 H new ATOM 0 HB2 TRP A 56 8.191 -3.713 -11.227 1.00 33.43 H new ATOM 0 HB3 TRP A 56 6.821 -3.956 -10.161 1.00 33.43 H new ATOM 0 HD1 TRP A 56 10.621 -3.227 -10.029 1.00 21.34 H new ATOM 0 HE1 TRP A 56 11.286 -2.536 -7.630 1.00 11.14 H new ATOM 0 HE3 TRP A 56 6.165 -4.177 -7.709 1.00 12.31 H new ATOM 0 HZ2 TRP A 56 10.018 -2.360 -5.120 1.00 63.41 H new ATOM 0 HZ3 TRP A 56 5.955 -3.688 -5.307 1.00 73.44 H new ATOM 0 HH2 TRP A 56 7.867 -2.820 -4.023 1.00 51.23 H new ATOM 836 N ALA A 57 9.076 -6.608 -12.561 1.00 21.30 N ATOM 837 CA ALA A 57 10.180 -7.082 -13.419 1.00 51.30 C ATOM 838 C ALA A 57 10.321 -6.165 -14.650 1.00 35.42 C ATOM 839 O ALA A 57 9.363 -5.967 -15.402 1.00 54.03 O ATOM 840 CB ALA A 57 9.938 -8.541 -13.841 1.00 24.33 C ATOM 0 H ALA A 57 8.164 -6.640 -13.017 1.00 21.30 H new ATOM 0 HA ALA A 57 11.112 -7.045 -12.855 1.00 51.30 H new ATOM 0 HB1 ALA A 57 10.759 -8.878 -14.473 1.00 24.33 H new ATOM 0 HB2 ALA A 57 9.881 -9.172 -12.954 1.00 24.33 H new ATOM 0 HB3 ALA A 57 9.002 -8.609 -14.395 1.00 24.33 H new ATOM 846 N ILE A 58 11.523 -5.602 -14.832 1.00 24.25 N ATOM 847 CA ILE A 58 11.815 -4.628 -15.903 1.00 42.21 C ATOM 848 C ILE A 58 12.312 -5.336 -17.190 1.00 63.10 C ATOM 849 O ILE A 58 13.212 -6.178 -17.143 1.00 41.54 O ATOM 850 CB ILE A 58 12.868 -3.574 -15.398 1.00 54.34 C ATOM 851 CG1 ILE A 58 12.323 -2.837 -14.125 1.00 51.22 C ATOM 852 CG2 ILE A 58 13.247 -2.561 -16.507 1.00 14.53 C ATOM 853 CD1 ILE A 58 13.236 -1.755 -13.570 1.00 54.55 C ATOM 0 H ILE A 58 12.327 -5.808 -14.239 1.00 24.25 H new ATOM 0 HA ILE A 58 10.891 -4.108 -16.155 1.00 42.21 H new ATOM 0 HB ILE A 58 13.779 -4.110 -15.132 1.00 54.34 H new ATOM 0 HG12 ILE A 58 11.359 -2.389 -14.367 1.00 51.22 H new ATOM 0 HG13 ILE A 58 12.144 -3.576 -13.344 1.00 51.22 H new ATOM 0 HG21 ILE A 58 13.976 -1.851 -16.117 1.00 14.53 H new ATOM 0 HG22 ILE A 58 13.677 -3.094 -17.355 1.00 14.53 H new ATOM 0 HG23 ILE A 58 12.355 -2.025 -16.830 1.00 14.53 H new ATOM 0 HD11 ILE A 58 12.774 -1.304 -12.692 1.00 54.55 H new ATOM 0 HD12 ILE A 58 14.193 -2.195 -13.290 1.00 54.55 H new ATOM 0 HD13 ILE A 58 13.396 -0.990 -14.329 1.00 54.55 H new ATOM 865 N ASN A 59 11.717 -4.960 -18.336 1.00 41.41 N ATOM 866 CA ASN A 59 11.993 -5.591 -19.650 1.00 24.31 C ATOM 867 C ASN A 59 13.199 -4.937 -20.379 1.00 61.52 C ATOM 868 O ASN A 59 13.819 -3.999 -19.867 1.00 35.21 O ATOM 869 CB ASN A 59 10.727 -5.504 -20.533 1.00 22.32 C ATOM 870 CG ASN A 59 9.507 -6.191 -19.921 1.00 53.33 C ATOM 871 OD1 ASN A 59 8.326 -5.734 -20.275 1.00 71.31 O flip ATOM 872 ND2 ASN A 59 9.623 -7.142 -19.157 1.00 53.13 N flip ATOM 0 H ASN A 59 11.029 -4.209 -18.383 1.00 41.41 H new ATOM 0 HA ASN A 59 12.257 -6.633 -19.471 1.00 24.31 H new ATOM 0 HB2 ASN A 59 10.491 -4.455 -20.713 1.00 22.32 H new ATOM 0 HB3 ASN A 59 10.939 -5.954 -21.503 1.00 22.32 H new ATOM 0 HD21 ASN A 59 10.551 -7.478 -18.898 1.00 53.13 H new ATOM 0 HD22 ASN A 59 8.792 -7.598 -18.780 1.00 53.13 H new ATOM 879 N ASP A 60 13.496 -5.437 -21.602 1.00 53.45 N ATOM 880 CA ASP A 60 14.593 -4.915 -22.460 1.00 74.22 C ATOM 881 C ASP A 60 14.335 -3.446 -22.899 1.00 51.10 C ATOM 882 O ASP A 60 15.276 -2.687 -23.144 1.00 12.24 O ATOM 883 CB ASP A 60 14.746 -5.815 -23.710 1.00 22.23 C ATOM 884 CG ASP A 60 14.960 -7.297 -23.360 1.00 71.13 C ATOM 885 OD1 ASP A 60 13.957 -8.025 -23.186 1.00 23.22 O ATOM 886 OD2 ASP A 60 16.123 -7.741 -23.240 1.00 70.35 O ATOM 0 H ASP A 60 12.984 -6.212 -22.023 1.00 53.45 H new ATOM 0 HA ASP A 60 15.512 -4.929 -21.874 1.00 74.22 H new ATOM 0 HB2 ASP A 60 13.856 -5.719 -24.331 1.00 22.23 H new ATOM 0 HB3 ASP A 60 15.589 -5.462 -24.304 1.00 22.23 H new ATOM 891 N LYS A 61 13.043 -3.070 -22.998 1.00 14.23 N ATOM 892 CA LYS A 61 12.618 -1.678 -23.319 1.00 5.32 C ATOM 893 C LYS A 61 12.610 -0.760 -22.064 1.00 74.52 C ATOM 894 O LYS A 61 12.250 0.420 -22.165 1.00 62.12 O ATOM 895 CB LYS A 61 11.197 -1.692 -23.953 1.00 24.41 C ATOM 896 CG LYS A 61 11.048 -2.593 -25.195 1.00 41.12 C ATOM 897 CD LYS A 61 9.651 -2.501 -25.882 1.00 24.30 C ATOM 898 CE LYS A 61 8.450 -2.810 -24.943 1.00 53.25 C ATOM 899 NZ LYS A 61 7.977 -1.618 -24.179 1.00 62.23 N ATOM 0 H LYS A 61 12.264 -3.713 -22.860 1.00 14.23 H new ATOM 0 HA LYS A 61 13.344 -1.274 -24.024 1.00 5.32 H new ATOM 0 HB2 LYS A 61 10.482 -2.018 -23.198 1.00 24.41 H new ATOM 0 HB3 LYS A 61 10.928 -0.672 -24.228 1.00 24.41 H new ATOM 0 HG2 LYS A 61 11.816 -2.325 -25.920 1.00 41.12 H new ATOM 0 HG3 LYS A 61 11.231 -3.628 -24.905 1.00 41.12 H new ATOM 0 HD2 LYS A 61 9.527 -1.499 -26.292 1.00 24.30 H new ATOM 0 HD3 LYS A 61 9.627 -3.195 -26.722 1.00 24.30 H new ATOM 0 HE2 LYS A 61 7.625 -3.203 -25.537 1.00 53.25 H new ATOM 0 HE3 LYS A 61 8.738 -3.592 -24.241 1.00 53.25 H new ATOM 0 HZ1 LYS A 61 7.868 -1.870 -23.176 1.00 62.23 H new ATOM 0 HZ2 LYS A 61 8.672 -0.849 -24.270 1.00 62.23 H new ATOM 0 HZ3 LYS A 61 7.061 -1.303 -24.558 1.00 62.23 H new ATOM 913 N GLY A 62 13.017 -1.306 -20.894 1.00 62.22 N ATOM 914 CA GLY A 62 12.900 -0.599 -19.606 1.00 30.43 C ATOM 915 C GLY A 62 11.458 -0.551 -19.085 1.00 0.21 C ATOM 916 O GLY A 62 11.062 0.397 -18.397 1.00 60.13 O ATOM 0 H GLY A 62 13.429 -2.236 -20.820 1.00 62.22 H new ATOM 0 HA2 GLY A 62 13.532 -1.091 -18.867 1.00 30.43 H new ATOM 0 HA3 GLY A 62 13.275 0.418 -19.719 1.00 30.43 H new ATOM 920 N ASP A 63 10.683 -1.605 -19.391 1.00 52.32 N ATOM 921 CA ASP A 63 9.229 -1.663 -19.120 1.00 75.13 C ATOM 922 C ASP A 63 8.947 -2.459 -17.820 1.00 34.21 C ATOM 923 O ASP A 63 9.152 -3.671 -17.768 1.00 23.34 O ATOM 924 CB ASP A 63 8.501 -2.285 -20.346 1.00 14.32 C ATOM 925 CG ASP A 63 6.975 -2.418 -20.163 1.00 61.13 C ATOM 926 OD1 ASP A 63 6.327 -1.437 -19.734 1.00 43.31 O ATOM 927 OD2 ASP A 63 6.418 -3.499 -20.442 1.00 33.34 O ATOM 0 H ASP A 63 11.046 -2.448 -19.836 1.00 52.32 H new ATOM 0 HA ASP A 63 8.845 -0.654 -18.967 1.00 75.13 H new ATOM 0 HB2 ASP A 63 8.700 -1.671 -21.225 1.00 14.32 H new ATOM 0 HB3 ASP A 63 8.921 -3.271 -20.544 1.00 14.32 H new ATOM 932 N THR A 64 8.479 -1.749 -16.783 1.00 20.23 N ATOM 933 CA THR A 64 8.225 -2.326 -15.442 1.00 62.21 C ATOM 934 C THR A 64 6.838 -3.022 -15.388 1.00 1.45 C ATOM 935 O THR A 64 5.803 -2.363 -15.505 1.00 11.43 O ATOM 936 CB THR A 64 8.322 -1.210 -14.342 1.00 75.53 C ATOM 937 OG1 THR A 64 9.610 -0.564 -14.414 1.00 25.22 O ATOM 938 CG2 THR A 64 8.114 -1.761 -12.921 1.00 14.32 C ATOM 0 H THR A 64 8.263 -0.754 -16.845 1.00 20.23 H new ATOM 0 HA THR A 64 8.988 -3.080 -15.246 1.00 62.21 H new ATOM 0 HB THR A 64 7.523 -0.496 -14.541 1.00 75.53 H new ATOM 0 HG1 THR A 64 9.665 0.133 -13.727 1.00 25.22 H new ATOM 0 HG21 THR A 64 8.191 -0.947 -12.200 1.00 14.32 H new ATOM 0 HG22 THR A 64 7.127 -2.217 -12.849 1.00 14.32 H new ATOM 0 HG23 THR A 64 8.876 -2.510 -12.706 1.00 14.32 H new ATOM 946 N VAL A 65 6.840 -4.356 -15.196 1.00 63.45 N ATOM 947 CA VAL A 65 5.614 -5.196 -15.205 1.00 43.20 C ATOM 948 C VAL A 65 5.284 -5.681 -13.770 1.00 54.41 C ATOM 949 O VAL A 65 6.100 -6.355 -13.137 1.00 23.35 O ATOM 950 CB VAL A 65 5.784 -6.437 -16.162 1.00 71.14 C ATOM 951 CG1 VAL A 65 4.496 -7.306 -16.205 1.00 30.55 C ATOM 952 CG2 VAL A 65 6.196 -5.986 -17.585 1.00 75.42 C ATOM 0 H VAL A 65 7.694 -4.889 -15.029 1.00 63.45 H new ATOM 0 HA VAL A 65 4.791 -4.585 -15.576 1.00 43.20 H new ATOM 0 HB VAL A 65 6.584 -7.057 -15.757 1.00 71.14 H new ATOM 0 HG11 VAL A 65 4.650 -8.152 -16.875 1.00 30.55 H new ATOM 0 HG12 VAL A 65 4.271 -7.672 -15.203 1.00 30.55 H new ATOM 0 HG13 VAL A 65 3.663 -6.704 -16.567 1.00 30.55 H new ATOM 0 HG21 VAL A 65 6.307 -6.861 -18.226 1.00 75.42 H new ATOM 0 HG22 VAL A 65 5.428 -5.330 -17.995 1.00 75.42 H new ATOM 0 HG23 VAL A 65 7.143 -5.449 -17.537 1.00 75.42 H new ATOM 962 N TYR A 66 4.070 -5.364 -13.288 1.00 4.10 N ATOM 963 CA TYR A 66 3.645 -5.642 -11.896 1.00 52.31 C ATOM 964 C TYR A 66 2.861 -6.976 -11.826 1.00 63.50 C ATOM 965 O TYR A 66 1.894 -7.177 -12.573 1.00 15.31 O ATOM 966 CB TYR A 66 2.782 -4.470 -11.363 1.00 5.52 C ATOM 967 CG TYR A 66 3.484 -3.096 -11.422 1.00 71.53 C ATOM 968 CD1 TYR A 66 3.558 -2.381 -12.623 1.00 5.12 C ATOM 969 CD2 TYR A 66 4.072 -2.518 -10.289 1.00 42.52 C ATOM 970 CE1 TYR A 66 4.183 -1.154 -12.694 1.00 1.40 C ATOM 971 CE2 TYR A 66 4.698 -1.282 -10.360 1.00 51.34 C ATOM 972 CZ TYR A 66 4.748 -0.606 -11.563 1.00 14.30 C ATOM 973 OH TYR A 66 5.365 0.624 -11.637 1.00 53.11 O ATOM 0 H TYR A 66 3.351 -4.907 -13.850 1.00 4.10 H new ATOM 0 HA TYR A 66 4.531 -5.736 -11.268 1.00 52.31 H new ATOM 0 HB2 TYR A 66 1.859 -4.420 -11.941 1.00 5.52 H new ATOM 0 HB3 TYR A 66 2.501 -4.679 -10.331 1.00 5.52 H new ATOM 0 HD1 TYR A 66 3.115 -2.800 -13.515 1.00 5.12 H new ATOM 0 HD2 TYR A 66 4.037 -3.043 -9.346 1.00 42.52 H new ATOM 0 HE1 TYR A 66 4.230 -0.624 -13.634 1.00 1.40 H new ATOM 0 HE2 TYR A 66 5.145 -0.850 -9.477 1.00 51.34 H new ATOM 0 HH TYR A 66 5.711 0.870 -10.754 1.00 53.11 H new ATOM 983 N ARG A 67 3.270 -7.861 -10.898 1.00 65.24 N ATOM 984 CA ARG A 67 2.745 -9.242 -10.777 1.00 14.33 C ATOM 985 C ARG A 67 2.496 -9.617 -9.287 1.00 52.04 C ATOM 986 O ARG A 67 3.276 -9.231 -8.409 1.00 34.13 O ATOM 987 CB ARG A 67 3.729 -10.234 -11.472 1.00 44.24 C ATOM 988 CG ARG A 67 5.192 -10.151 -10.979 1.00 71.32 C ATOM 989 CD ARG A 67 6.143 -11.076 -11.762 1.00 62.52 C ATOM 990 NE ARG A 67 7.538 -10.964 -11.293 1.00 42.31 N ATOM 991 CZ ARG A 67 8.501 -11.829 -11.530 1.00 4.24 C ATOM 992 NH1 ARG A 67 8.283 -12.909 -12.226 1.00 14.22 N ATOM 993 NH2 ARG A 67 9.681 -11.602 -11.053 1.00 32.42 N ATOM 0 H ARG A 67 3.982 -7.639 -10.202 1.00 65.24 H new ATOM 0 HA ARG A 67 1.780 -9.306 -11.280 1.00 14.33 H new ATOM 0 HB2 ARG A 67 3.366 -11.250 -11.319 1.00 44.24 H new ATOM 0 HB3 ARG A 67 3.712 -10.048 -12.546 1.00 44.24 H new ATOM 0 HG2 ARG A 67 5.541 -9.122 -11.066 1.00 71.32 H new ATOM 0 HG3 ARG A 67 5.229 -10.412 -9.921 1.00 71.32 H new ATOM 0 HD2 ARG A 67 5.809 -12.108 -11.660 1.00 62.52 H new ATOM 0 HD3 ARG A 67 6.097 -10.829 -12.823 1.00 62.52 H new ATOM 0 HE ARG A 67 7.777 -10.144 -10.736 1.00 42.31 H new ATOM 0 HH11 ARG A 67 7.352 -13.096 -12.598 1.00 14.22 H new ATOM 0 HH12 ARG A 67 9.043 -13.567 -12.398 1.00 14.22 H new ATOM 0 HH21 ARG A 67 9.855 -10.762 -10.502 1.00 32.42 H new ATOM 0 HH22 ARG A 67 10.438 -12.263 -11.228 1.00 32.42 H new ATOM 1007 N PRO A 68 1.400 -10.384 -8.972 1.00 74.22 N ATOM 1008 CA PRO A 68 0.955 -10.622 -7.581 1.00 75.31 C ATOM 1009 C PRO A 68 1.637 -11.846 -6.900 1.00 2.52 C ATOM 1010 O PRO A 68 1.074 -12.943 -6.842 1.00 11.22 O ATOM 1011 CB PRO A 68 -0.565 -10.820 -7.779 1.00 30.53 C ATOM 1012 CG PRO A 68 -0.688 -11.526 -9.103 1.00 52.40 C ATOM 1013 CD PRO A 68 0.515 -11.098 -9.940 1.00 54.22 C ATOM 0 HA PRO A 68 1.219 -9.811 -6.902 1.00 75.31 H new ATOM 0 HB2 PRO A 68 -0.996 -11.413 -6.972 1.00 30.53 H new ATOM 0 HB3 PRO A 68 -1.091 -9.865 -7.789 1.00 30.53 H new ATOM 0 HG2 PRO A 68 -0.699 -12.607 -8.966 1.00 52.40 H new ATOM 0 HG3 PRO A 68 -1.620 -11.258 -9.600 1.00 52.40 H new ATOM 0 HD2 PRO A 68 1.019 -11.958 -10.381 1.00 54.22 H new ATOM 0 HD3 PRO A 68 0.217 -10.447 -10.762 1.00 54.22 H new ATOM 1021 N VAL A 69 2.874 -11.648 -6.411 1.00 2.03 N ATOM 1022 CA VAL A 69 3.621 -12.691 -5.645 1.00 34.13 C ATOM 1023 C VAL A 69 3.029 -12.936 -4.236 1.00 2.12 C ATOM 1024 O VAL A 69 3.226 -14.005 -3.648 1.00 34.13 O ATOM 1025 CB VAL A 69 5.151 -12.339 -5.518 1.00 64.32 C ATOM 1026 CG1 VAL A 69 5.851 -12.442 -6.890 1.00 11.43 C ATOM 1027 CG2 VAL A 69 5.361 -10.933 -4.882 1.00 25.52 C ATOM 0 H VAL A 69 3.389 -10.775 -6.527 1.00 2.03 H new ATOM 0 HA VAL A 69 3.514 -13.610 -6.221 1.00 34.13 H new ATOM 0 HB VAL A 69 5.607 -13.069 -4.849 1.00 64.32 H new ATOM 0 HG11 VAL A 69 6.907 -12.195 -6.779 1.00 11.43 H new ATOM 0 HG12 VAL A 69 5.754 -13.458 -7.272 1.00 11.43 H new ATOM 0 HG13 VAL A 69 5.387 -11.746 -7.589 1.00 11.43 H new ATOM 0 HG21 VAL A 69 6.428 -10.722 -4.809 1.00 25.52 H new ATOM 0 HG22 VAL A 69 4.883 -10.177 -5.505 1.00 25.52 H new ATOM 0 HG23 VAL A 69 4.919 -10.915 -3.886 1.00 25.52 H new ATOM 1037 N GLY A 70 2.314 -11.931 -3.708 1.00 35.44 N ATOM 1038 CA GLY A 70 1.644 -12.030 -2.409 1.00 72.15 C ATOM 1039 C GLY A 70 2.595 -11.925 -1.210 1.00 54.44 C ATOM 1040 O GLY A 70 3.786 -11.620 -1.358 1.00 61.13 O ATOM 0 H GLY A 70 2.186 -11.031 -4.170 1.00 35.44 H new ATOM 0 HA2 GLY A 70 0.895 -11.241 -2.336 1.00 72.15 H new ATOM 0 HA3 GLY A 70 1.113 -12.980 -2.357 1.00 72.15 H new ATOM 1044 N LEU A 71 2.044 -12.146 -0.015 1.00 22.14 N ATOM 1045 CA LEU A 71 2.795 -12.132 1.257 1.00 41.43 C ATOM 1046 C LEU A 71 2.763 -13.545 1.902 1.00 33.35 C ATOM 1047 O LEU A 71 1.673 -14.100 2.094 1.00 5.05 O ATOM 1048 CB LEU A 71 2.169 -11.074 2.210 1.00 15.31 C ATOM 1049 CG LEU A 71 2.144 -9.599 1.680 1.00 12.15 C ATOM 1050 CD1 LEU A 71 1.275 -8.690 2.579 1.00 24.34 C ATOM 1051 CD2 LEU A 71 3.580 -9.035 1.535 1.00 5.14 C ATOM 0 H LEU A 71 1.051 -12.343 0.106 1.00 22.14 H new ATOM 0 HA LEU A 71 3.835 -11.865 1.071 1.00 41.43 H new ATOM 0 HB2 LEU A 71 1.146 -11.376 2.433 1.00 15.31 H new ATOM 0 HB3 LEU A 71 2.719 -11.091 3.151 1.00 15.31 H new ATOM 0 HG LEU A 71 1.688 -9.612 0.690 1.00 12.15 H new ATOM 0 HD11 LEU A 71 1.280 -7.675 2.183 1.00 24.34 H new ATOM 0 HD12 LEU A 71 0.253 -9.067 2.598 1.00 24.34 H new ATOM 0 HD13 LEU A 71 1.679 -8.686 3.591 1.00 24.34 H new ATOM 0 HD21 LEU A 71 3.533 -8.011 1.166 1.00 5.14 H new ATOM 0 HD22 LEU A 71 4.076 -9.048 2.506 1.00 5.14 H new ATOM 0 HD23 LEU A 71 4.143 -9.649 0.832 1.00 5.14 H new ATOM 1063 N PRO A 72 3.952 -14.170 2.219 1.00 22.53 N ATOM 1064 CA PRO A 72 4.003 -15.493 2.906 1.00 64.14 C ATOM 1065 C PRO A 72 3.486 -15.427 4.369 1.00 12.40 C ATOM 1066 O PRO A 72 2.994 -16.424 4.907 1.00 53.44 O ATOM 1067 CB PRO A 72 5.504 -15.879 2.832 1.00 42.22 C ATOM 1068 CG PRO A 72 6.229 -14.572 2.711 1.00 74.30 C ATOM 1069 CD PRO A 72 5.319 -13.666 1.903 1.00 64.52 C ATOM 0 HA PRO A 72 3.353 -16.231 2.436 1.00 64.14 H new ATOM 0 HB2 PRO A 72 5.817 -16.424 3.723 1.00 42.22 H new ATOM 0 HB3 PRO A 72 5.705 -16.524 1.977 1.00 42.22 H new ATOM 0 HG2 PRO A 72 6.433 -14.146 3.693 1.00 74.30 H new ATOM 0 HG3 PRO A 72 7.191 -14.703 2.215 1.00 74.30 H new ATOM 0 HD2 PRO A 72 5.437 -12.621 2.189 1.00 64.52 H new ATOM 0 HD3 PRO A 72 5.533 -13.731 0.836 1.00 64.52 H new ATOM 1077 N ASP A 73 3.602 -14.242 5.001 1.00 74.33 N ATOM 1078 CA ASP A 73 3.018 -13.967 6.335 1.00 34.31 C ATOM 1079 C ASP A 73 2.138 -12.678 6.263 1.00 30.12 C ATOM 1080 O ASP A 73 2.545 -11.620 6.748 1.00 14.14 O ATOM 1081 CB ASP A 73 4.138 -13.820 7.405 1.00 1.11 C ATOM 1082 CG ASP A 73 5.153 -14.975 7.399 1.00 54.43 C ATOM 1083 OD1 ASP A 73 6.127 -14.922 6.611 1.00 54.02 O ATOM 1084 OD2 ASP A 73 4.978 -15.947 8.167 1.00 54.05 O ATOM 0 H ASP A 73 4.102 -13.447 4.604 1.00 74.33 H new ATOM 0 HA ASP A 73 2.388 -14.806 6.631 1.00 34.31 H new ATOM 0 HB2 ASP A 73 4.667 -12.882 7.238 1.00 1.11 H new ATOM 0 HB3 ASP A 73 3.680 -13.756 8.392 1.00 1.11 H new ATOM 1089 N PRO A 74 0.916 -12.746 5.635 1.00 52.23 N ATOM 1090 CA PRO A 74 0.092 -11.538 5.338 1.00 33.24 C ATOM 1091 C PRO A 74 -0.739 -11.014 6.541 1.00 33.34 C ATOM 1092 O PRO A 74 -1.028 -9.811 6.623 1.00 71.21 O ATOM 1093 CB PRO A 74 -0.813 -12.047 4.195 1.00 51.34 C ATOM 1094 CG PRO A 74 -1.035 -13.500 4.505 1.00 34.45 C ATOM 1095 CD PRO A 74 0.242 -13.992 5.159 1.00 42.10 C ATOM 0 HA PRO A 74 0.706 -10.673 5.086 1.00 33.24 H new ATOM 0 HB2 PRO A 74 -1.755 -11.500 4.162 1.00 51.34 H new ATOM 0 HB3 PRO A 74 -0.335 -11.917 3.224 1.00 51.34 H new ATOM 0 HG2 PRO A 74 -1.888 -13.630 5.170 1.00 34.45 H new ATOM 0 HG3 PRO A 74 -1.250 -14.064 3.597 1.00 34.45 H new ATOM 0 HD2 PRO A 74 0.030 -14.670 5.985 1.00 42.10 H new ATOM 0 HD3 PRO A 74 0.867 -14.537 4.452 1.00 42.10 H new ATOM 1103 N ASP A 75 -1.115 -11.923 7.463 1.00 74.22 N ATOM 1104 CA ASP A 75 -1.960 -11.598 8.628 1.00 42.20 C ATOM 1105 C ASP A 75 -1.216 -10.654 9.598 1.00 30.41 C ATOM 1106 O ASP A 75 -1.792 -9.672 10.086 1.00 74.02 O ATOM 1107 CB ASP A 75 -2.400 -12.904 9.341 1.00 74.21 C ATOM 1108 CG ASP A 75 -3.361 -12.661 10.522 1.00 34.21 C ATOM 1109 OD1 ASP A 75 -4.578 -12.493 10.289 1.00 23.11 O ATOM 1110 OD2 ASP A 75 -2.904 -12.638 11.688 1.00 24.25 O ATOM 0 H ASP A 75 -0.840 -12.904 7.420 1.00 74.22 H new ATOM 0 HA ASP A 75 -2.853 -11.076 8.283 1.00 42.20 H new ATOM 0 HB2 ASP A 75 -2.884 -13.559 8.617 1.00 74.21 H new ATOM 0 HB3 ASP A 75 -1.515 -13.427 9.703 1.00 74.21 H new ATOM 1115 N LYS A 76 0.087 -10.947 9.838 1.00 13.20 N ATOM 1116 CA LYS A 76 0.935 -10.110 10.718 1.00 63.21 C ATOM 1117 C LYS A 76 1.191 -8.718 10.102 1.00 40.34 C ATOM 1118 O LYS A 76 1.267 -7.738 10.827 1.00 63.45 O ATOM 1119 CB LYS A 76 2.281 -10.802 11.063 1.00 73.44 C ATOM 1120 CG LYS A 76 3.282 -10.943 9.894 1.00 62.40 C ATOM 1121 CD LYS A 76 4.616 -11.604 10.324 1.00 11.02 C ATOM 1122 CE LYS A 76 5.398 -10.786 11.373 1.00 1.12 C ATOM 1123 NZ LYS A 76 5.880 -9.486 10.836 1.00 41.24 N ATOM 0 H LYS A 76 0.569 -11.751 9.437 1.00 13.20 H new ATOM 0 HA LYS A 76 0.380 -9.979 11.647 1.00 63.21 H new ATOM 0 HB2 LYS A 76 2.762 -10.240 11.863 1.00 73.44 H new ATOM 0 HB3 LYS A 76 2.067 -11.796 11.456 1.00 73.44 H new ATOM 0 HG2 LYS A 76 2.827 -11.536 9.101 1.00 62.40 H new ATOM 0 HG3 LYS A 76 3.488 -9.957 9.477 1.00 62.40 H new ATOM 0 HD2 LYS A 76 4.408 -12.594 10.729 1.00 11.02 H new ATOM 0 HD3 LYS A 76 5.243 -11.745 9.444 1.00 11.02 H new ATOM 0 HE2 LYS A 76 4.759 -10.604 12.237 1.00 1.12 H new ATOM 0 HE3 LYS A 76 6.250 -11.369 11.723 1.00 1.12 H new ATOM 0 HZ1 LYS A 76 6.399 -8.975 11.578 1.00 41.24 H new ATOM 0 HZ2 LYS A 76 6.511 -9.657 10.028 1.00 41.24 H new ATOM 0 HZ3 LYS A 76 5.067 -8.916 10.526 1.00 41.24 H new ATOM 1137 N VAL A 77 1.292 -8.651 8.757 1.00 4.35 N ATOM 1138 CA VAL A 77 1.520 -7.380 8.025 1.00 0.35 C ATOM 1139 C VAL A 77 0.345 -6.394 8.255 1.00 11.05 C ATOM 1140 O VAL A 77 0.570 -5.237 8.604 1.00 63.23 O ATOM 1141 CB VAL A 77 1.737 -7.635 6.481 1.00 13.10 C ATOM 1142 CG1 VAL A 77 1.827 -6.317 5.675 1.00 74.41 C ATOM 1143 CG2 VAL A 77 2.997 -8.501 6.229 1.00 43.20 C ATOM 0 H VAL A 77 1.219 -9.467 8.150 1.00 4.35 H new ATOM 0 HA VAL A 77 2.431 -6.930 8.420 1.00 0.35 H new ATOM 0 HB VAL A 77 0.860 -8.178 6.130 1.00 13.10 H new ATOM 0 HG11 VAL A 77 1.976 -6.545 4.620 1.00 74.41 H new ATOM 0 HG12 VAL A 77 0.903 -5.752 5.797 1.00 74.41 H new ATOM 0 HG13 VAL A 77 2.666 -5.724 6.040 1.00 74.41 H new ATOM 0 HG21 VAL A 77 3.121 -8.660 5.158 1.00 43.20 H new ATOM 0 HG22 VAL A 77 3.875 -7.990 6.624 1.00 43.20 H new ATOM 0 HG23 VAL A 77 2.883 -9.463 6.728 1.00 43.20 H new ATOM 1153 N GLN A 78 -0.898 -6.894 8.103 1.00 2.32 N ATOM 1154 CA GLN A 78 -2.132 -6.086 8.288 1.00 12.02 C ATOM 1155 C GLN A 78 -2.291 -5.547 9.742 1.00 61.22 C ATOM 1156 O GLN A 78 -2.500 -4.338 9.941 1.00 53.12 O ATOM 1157 CB GLN A 78 -3.377 -6.924 7.860 1.00 12.02 C ATOM 1158 CG GLN A 78 -4.740 -6.273 8.203 1.00 35.54 C ATOM 1159 CD GLN A 78 -5.958 -6.947 7.554 1.00 53.32 C ATOM 1160 OE1 GLN A 78 -5.897 -7.435 6.438 1.00 45.22 O ATOM 1161 NE2 GLN A 78 -7.071 -6.997 8.259 1.00 55.31 N ATOM 0 H GLN A 78 -1.080 -7.865 7.850 1.00 2.32 H new ATOM 0 HA GLN A 78 -2.049 -5.207 7.649 1.00 12.02 H new ATOM 0 HB2 GLN A 78 -3.331 -7.095 6.785 1.00 12.02 H new ATOM 0 HB3 GLN A 78 -3.324 -7.901 8.341 1.00 12.02 H new ATOM 0 HG2 GLN A 78 -4.870 -6.284 9.285 1.00 35.54 H new ATOM 0 HG3 GLN A 78 -4.715 -5.227 7.896 1.00 35.54 H new ATOM 0 HE21 GLN A 78 -7.103 -6.583 9.191 1.00 55.31 H new ATOM 0 HE22 GLN A 78 -7.900 -7.449 7.873 1.00 55.31 H new ATOM 1170 N ARG A 79 -2.161 -6.436 10.749 1.00 40.22 N ATOM 1171 CA ARG A 79 -2.400 -6.071 12.179 1.00 72.21 C ATOM 1172 C ARG A 79 -1.243 -5.224 12.781 1.00 43.54 C ATOM 1173 O ARG A 79 -1.480 -4.337 13.613 1.00 2.42 O ATOM 1174 CB ARG A 79 -2.727 -7.346 13.030 1.00 33.43 C ATOM 1175 CG ARG A 79 -1.664 -8.486 13.048 1.00 31.02 C ATOM 1176 CD ARG A 79 -0.584 -8.338 14.146 1.00 30.43 C ATOM 1177 NE ARG A 79 -1.173 -8.270 15.505 1.00 61.32 N ATOM 1178 CZ ARG A 79 -1.338 -9.283 16.338 1.00 70.32 C ATOM 1179 NH1 ARG A 79 -1.042 -10.503 15.996 1.00 71.03 N ATOM 1180 NH2 ARG A 79 -1.830 -9.059 17.516 1.00 1.23 N ATOM 0 H ARG A 79 -1.893 -7.410 10.609 1.00 40.22 H new ATOM 0 HA ARG A 79 -3.277 -5.424 12.212 1.00 72.21 H new ATOM 0 HB2 ARG A 79 -2.900 -7.030 14.059 1.00 33.43 H new ATOM 0 HB3 ARG A 79 -3.664 -7.765 12.664 1.00 33.43 H new ATOM 0 HG2 ARG A 79 -2.174 -9.439 13.184 1.00 31.02 H new ATOM 0 HG3 ARG A 79 -1.173 -8.523 12.076 1.00 31.02 H new ATOM 0 HD2 ARG A 79 0.105 -9.181 14.092 1.00 30.43 H new ATOM 0 HD3 ARG A 79 0.000 -7.437 13.960 1.00 30.43 H new ATOM 0 HE ARG A 79 -1.481 -7.353 15.828 1.00 61.32 H new ATOM 0 HH11 ARG A 79 -0.673 -10.696 15.065 1.00 71.03 H new ATOM 0 HH12 ARG A 79 -1.179 -11.266 16.659 1.00 71.03 H new ATOM 0 HH21 ARG A 79 -2.085 -8.110 17.790 1.00 1.23 H new ATOM 0 HH22 ARG A 79 -1.963 -9.832 18.169 1.00 1.23 H new ATOM 1194 N ASP A 80 0.004 -5.492 12.340 1.00 65.04 N ATOM 1195 CA ASP A 80 1.189 -4.699 12.744 1.00 44.31 C ATOM 1196 C ASP A 80 1.179 -3.306 12.066 1.00 1.42 C ATOM 1197 O ASP A 80 1.672 -2.337 12.640 1.00 21.21 O ATOM 1198 CB ASP A 80 2.492 -5.463 12.397 1.00 33.11 C ATOM 1199 CG ASP A 80 3.777 -4.697 12.766 1.00 62.42 C ATOM 1200 OD1 ASP A 80 4.124 -4.635 13.963 1.00 20.21 O ATOM 1201 OD2 ASP A 80 4.437 -4.142 11.862 1.00 14.01 O ATOM 0 H ASP A 80 0.219 -6.256 11.700 1.00 65.04 H new ATOM 0 HA ASP A 80 1.149 -4.550 13.823 1.00 44.31 H new ATOM 0 HB2 ASP A 80 2.490 -6.422 12.916 1.00 33.11 H new ATOM 0 HB3 ASP A 80 2.502 -5.679 11.329 1.00 33.11 H new ATOM 1206 N LEU A 81 0.612 -3.222 10.844 1.00 34.40 N ATOM 1207 CA LEU A 81 0.490 -1.944 10.105 1.00 31.42 C ATOM 1208 C LEU A 81 -0.501 -0.986 10.803 1.00 34.11 C ATOM 1209 O LEU A 81 -0.248 0.214 10.897 1.00 34.33 O ATOM 1210 CB LEU A 81 0.071 -2.182 8.633 1.00 24.32 C ATOM 1211 CG LEU A 81 0.098 -0.925 7.702 1.00 34.32 C ATOM 1212 CD1 LEU A 81 1.483 -0.235 7.708 1.00 14.13 C ATOM 1213 CD2 LEU A 81 -0.331 -1.290 6.267 1.00 35.33 C ATOM 0 H LEU A 81 0.230 -4.026 10.346 1.00 34.40 H new ATOM 0 HA LEU A 81 1.474 -1.474 10.105 1.00 31.42 H new ATOM 0 HB2 LEU A 81 0.728 -2.940 8.207 1.00 24.32 H new ATOM 0 HB3 LEU A 81 -0.938 -2.594 8.625 1.00 24.32 H new ATOM 0 HG LEU A 81 -0.622 -0.211 8.101 1.00 34.32 H new ATOM 0 HD11 LEU A 81 1.460 0.633 7.049 1.00 14.13 H new ATOM 0 HD12 LEU A 81 1.726 0.085 8.721 1.00 14.13 H new ATOM 0 HD13 LEU A 81 2.240 -0.936 7.358 1.00 14.13 H new ATOM 0 HD21 LEU A 81 -0.303 -0.398 5.641 1.00 35.33 H new ATOM 0 HD22 LEU A 81 0.351 -2.038 5.863 1.00 35.33 H new ATOM 0 HD23 LEU A 81 -1.344 -1.692 6.281 1.00 35.33 H new ATOM 1225 N ALA A 82 -1.627 -1.534 11.287 1.00 11.43 N ATOM 1226 CA ALA A 82 -2.622 -0.767 12.074 1.00 10.02 C ATOM 1227 C ALA A 82 -2.017 -0.265 13.412 1.00 22.11 C ATOM 1228 O ALA A 82 -2.195 0.902 13.795 1.00 53.53 O ATOM 1229 CB ALA A 82 -3.868 -1.631 12.332 1.00 2.35 C ATOM 0 H ALA A 82 -1.878 -2.513 11.149 1.00 11.43 H new ATOM 0 HA ALA A 82 -2.913 0.110 11.495 1.00 10.02 H new ATOM 0 HB1 ALA A 82 -4.594 -1.059 12.911 1.00 2.35 H new ATOM 0 HB2 ALA A 82 -4.312 -1.923 11.380 1.00 2.35 H new ATOM 0 HB3 ALA A 82 -3.583 -2.524 12.888 1.00 2.35 H new ATOM 1235 N SER A 83 -1.290 -1.170 14.098 1.00 15.42 N ATOM 1236 CA SER A 83 -0.581 -0.869 15.365 1.00 5.24 C ATOM 1237 C SER A 83 0.462 0.267 15.192 1.00 62.21 C ATOM 1238 O SER A 83 0.440 1.257 15.938 1.00 21.53 O ATOM 1239 CB SER A 83 0.102 -2.154 15.897 1.00 21.32 C ATOM 1240 OG SER A 83 0.921 -1.892 17.031 1.00 42.30 O ATOM 0 H SER A 83 -1.176 -2.136 13.790 1.00 15.42 H new ATOM 0 HA SER A 83 -1.318 -0.520 16.088 1.00 5.24 H new ATOM 0 HB2 SER A 83 -0.660 -2.887 16.162 1.00 21.32 H new ATOM 0 HB3 SER A 83 0.708 -2.596 15.106 1.00 21.32 H new ATOM 0 HG SER A 83 1.332 -2.727 17.337 1.00 42.30 H new ATOM 1246 N GLN A 84 1.366 0.128 14.198 1.00 34.31 N ATOM 1247 CA GLN A 84 2.428 1.130 13.939 1.00 55.03 C ATOM 1248 C GLN A 84 1.849 2.466 13.416 1.00 24.05 C ATOM 1249 O GLN A 84 2.358 3.511 13.757 1.00 42.43 O ATOM 1250 CB GLN A 84 3.520 0.582 12.966 1.00 40.00 C ATOM 1251 CG GLN A 84 3.079 0.409 11.499 1.00 13.21 C ATOM 1252 CD GLN A 84 4.162 -0.200 10.603 1.00 14.21 C ATOM 1253 OE1 GLN A 84 4.195 -1.516 10.498 1.00 62.54 O flip ATOM 1254 NE2 GLN A 84 4.972 0.508 10.016 1.00 35.40 N flip ATOM 0 H GLN A 84 1.383 -0.668 13.560 1.00 34.31 H new ATOM 0 HA GLN A 84 2.905 1.329 14.898 1.00 55.03 H new ATOM 0 HB2 GLN A 84 4.376 1.256 12.992 1.00 40.00 H new ATOM 0 HB3 GLN A 84 3.863 -0.383 13.340 1.00 40.00 H new ATOM 0 HG2 GLN A 84 2.193 -0.225 11.467 1.00 13.21 H new ATOM 0 HG3 GLN A 84 2.791 1.381 11.098 1.00 13.21 H new ATOM 0 HE21 GLN A 84 4.927 1.522 10.112 1.00 35.40 H new ATOM 0 HE22 GLN A 84 5.691 0.083 9.431 1.00 35.40 H new ATOM 1263 N CYS A 85 0.768 2.424 12.617 1.00 61.42 N ATOM 1264 CA CYS A 85 0.136 3.657 12.056 1.00 34.41 C ATOM 1265 C CYS A 85 -0.528 4.519 13.151 1.00 3.20 C ATOM 1266 O CYS A 85 -0.659 5.742 13.011 1.00 10.12 O ATOM 1267 CB CYS A 85 -0.886 3.303 10.959 1.00 73.43 C ATOM 1268 SG CYS A 85 -1.531 4.731 10.058 1.00 13.24 S ATOM 0 H CYS A 85 0.306 1.558 12.339 1.00 61.42 H new ATOM 0 HA CYS A 85 0.936 4.249 11.612 1.00 34.41 H new ATOM 0 HB2 CYS A 85 -0.418 2.621 10.249 1.00 73.43 H new ATOM 0 HB3 CYS A 85 -1.720 2.768 11.414 1.00 73.43 H new ATOM 0 HG CYS A 85 -1.244 4.613 8.796 1.00 13.24 H new ATOM 1274 N ALA A 86 -0.926 3.858 14.248 1.00 13.41 N ATOM 1275 CA ALA A 86 -1.522 4.518 15.422 1.00 21.34 C ATOM 1276 C ALA A 86 -0.463 5.205 16.336 1.00 33.03 C ATOM 1277 O ALA A 86 -0.782 6.170 17.040 1.00 14.41 O ATOM 1278 CB ALA A 86 -2.344 3.491 16.216 1.00 4.53 C ATOM 0 H ALA A 86 -0.844 2.846 14.348 1.00 13.41 H new ATOM 0 HA ALA A 86 -2.171 5.316 15.061 1.00 21.34 H new ATOM 0 HB1 ALA A 86 -2.787 3.975 17.086 1.00 4.53 H new ATOM 0 HB2 ALA A 86 -3.134 3.089 15.582 1.00 4.53 H new ATOM 0 HB3 ALA A 86 -1.694 2.680 16.544 1.00 4.53 H new ATOM 1284 N SER A 87 0.791 4.696 16.336 1.00 51.14 N ATOM 1285 CA SER A 87 1.872 5.186 17.252 1.00 64.20 C ATOM 1286 C SER A 87 2.952 6.043 16.528 1.00 4.31 C ATOM 1287 O SER A 87 3.555 6.921 17.140 1.00 10.10 O ATOM 1288 CB SER A 87 2.540 3.981 17.958 1.00 31.23 C ATOM 1289 OG SER A 87 3.549 4.395 18.872 1.00 23.42 O ATOM 0 H SER A 87 1.089 3.944 15.714 1.00 51.14 H new ATOM 0 HA SER A 87 1.396 5.840 17.983 1.00 64.20 H new ATOM 0 HB2 SER A 87 1.782 3.406 18.490 1.00 31.23 H new ATOM 0 HB3 SER A 87 2.977 3.319 17.211 1.00 31.23 H new ATOM 0 HG SER A 87 3.947 3.608 19.299 1.00 23.42 H new ATOM 1295 N MET A 88 3.187 5.777 15.233 1.00 51.11 N ATOM 1296 CA MET A 88 4.206 6.490 14.404 1.00 30.11 C ATOM 1297 C MET A 88 3.819 7.957 14.181 1.00 53.24 C ATOM 1298 O MET A 88 4.609 8.878 14.420 1.00 74.25 O ATOM 1299 CB MET A 88 4.365 5.801 13.007 1.00 11.35 C ATOM 1300 CG MET A 88 5.320 4.606 12.960 1.00 25.13 C ATOM 1301 SD MET A 88 7.043 5.124 13.111 1.00 74.52 S ATOM 1302 CE MET A 88 7.908 3.688 12.479 1.00 61.01 C ATOM 0 H MET A 88 2.679 5.059 14.717 1.00 51.11 H new ATOM 0 HA MET A 88 5.148 6.445 14.950 1.00 30.11 H new ATOM 0 HB2 MET A 88 3.382 5.470 12.672 1.00 11.35 H new ATOM 0 HB3 MET A 88 4.711 6.547 12.292 1.00 11.35 H new ATOM 0 HG2 MET A 88 5.076 3.913 13.765 1.00 25.13 H new ATOM 0 HG3 MET A 88 5.183 4.067 12.023 1.00 25.13 H new ATOM 0 HE1 MET A 88 8.981 3.880 12.480 1.00 61.01 H new ATOM 0 HE2 MET A 88 7.693 2.826 13.111 1.00 61.01 H new ATOM 0 HE3 MET A 88 7.577 3.483 11.461 1.00 61.01 H new ATOM 1312 N LEU A 89 2.593 8.141 13.693 1.00 53.00 N ATOM 1313 CA LEU A 89 2.105 9.438 13.207 1.00 31.04 C ATOM 1314 C LEU A 89 1.441 10.238 14.354 1.00 31.15 C ATOM 1315 O LEU A 89 1.123 9.661 15.402 1.00 72.31 O ATOM 1316 CB LEU A 89 1.127 9.191 12.026 1.00 34.51 C ATOM 1317 CG LEU A 89 1.596 8.141 10.947 1.00 11.40 C ATOM 1318 CD1 LEU A 89 0.608 8.051 9.766 1.00 34.20 C ATOM 1319 CD2 LEU A 89 3.035 8.416 10.448 1.00 21.54 C ATOM 0 H LEU A 89 1.904 7.392 13.622 1.00 53.00 H new ATOM 0 HA LEU A 89 2.939 10.042 12.849 1.00 31.04 H new ATOM 0 HB2 LEU A 89 0.172 8.860 12.434 1.00 34.51 H new ATOM 0 HB3 LEU A 89 0.947 10.142 11.524 1.00 34.51 H new ATOM 0 HG LEU A 89 1.606 7.172 11.446 1.00 11.40 H new ATOM 0 HD11 LEU A 89 0.968 7.317 9.045 1.00 34.20 H new ATOM 0 HD12 LEU A 89 -0.372 7.748 10.134 1.00 34.20 H new ATOM 0 HD13 LEU A 89 0.529 9.025 9.283 1.00 34.20 H new ATOM 0 HD21 LEU A 89 3.312 7.667 9.707 1.00 21.54 H new ATOM 0 HD22 LEU A 89 3.080 9.407 9.997 1.00 21.54 H new ATOM 0 HD23 LEU A 89 3.727 8.368 11.289 1.00 21.54 H new ATOM 1331 N ASN A 90 1.299 11.568 14.134 1.00 41.10 N ATOM 1332 CA ASN A 90 0.746 12.569 15.101 1.00 52.24 C ATOM 1333 C ASN A 90 -0.312 12.001 16.098 1.00 4.23 C ATOM 1334 O ASN A 90 -0.135 12.087 17.319 1.00 41.40 O ATOM 1335 CB ASN A 90 0.153 13.755 14.292 1.00 70.20 C ATOM 1336 CG ASN A 90 -0.410 14.893 15.145 1.00 14.21 C ATOM 1337 OD1 ASN A 90 0.018 15.130 16.269 1.00 31.21 O ATOM 1338 ND2 ASN A 90 -1.345 15.638 14.599 1.00 42.35 N ATOM 0 H ASN A 90 1.574 11.996 13.250 1.00 41.10 H new ATOM 0 HA ASN A 90 1.573 12.891 15.733 1.00 52.24 H new ATOM 0 HB2 ASN A 90 0.929 14.157 13.641 1.00 70.20 H new ATOM 0 HB3 ASN A 90 -0.640 13.376 13.647 1.00 70.20 H new ATOM 0 HD21 ASN A 90 -1.729 16.432 15.112 1.00 42.35 H new ATOM 0 HD22 ASN A 90 -1.687 15.423 13.662 1.00 42.35 H new ATOM 1345 N VAL A 91 -1.401 11.436 15.564 1.00 2.11 N ATOM 1346 CA VAL A 91 -2.467 10.781 16.375 1.00 25.31 C ATOM 1347 C VAL A 91 -2.676 9.325 15.904 1.00 1.15 C ATOM 1348 O VAL A 91 -2.040 8.877 14.939 1.00 50.41 O ATOM 1349 CB VAL A 91 -3.840 11.561 16.321 1.00 41.34 C ATOM 1350 CG1 VAL A 91 -3.662 13.040 16.740 1.00 53.41 C ATOM 1351 CG2 VAL A 91 -4.511 11.440 14.932 1.00 53.33 C ATOM 0 H VAL A 91 -1.580 11.413 14.560 1.00 2.11 H new ATOM 0 HA VAL A 91 -2.128 10.792 17.411 1.00 25.31 H new ATOM 0 HB VAL A 91 -4.510 11.094 17.043 1.00 41.34 H new ATOM 0 HG11 VAL A 91 -4.624 13.550 16.693 1.00 53.41 H new ATOM 0 HG12 VAL A 91 -3.277 13.086 17.759 1.00 53.41 H new ATOM 0 HG13 VAL A 91 -2.959 13.528 16.064 1.00 53.41 H new ATOM 0 HG21 VAL A 91 -5.453 11.989 14.934 1.00 53.33 H new ATOM 0 HG22 VAL A 91 -3.850 11.855 14.171 1.00 53.33 H new ATOM 0 HG23 VAL A 91 -4.704 10.390 14.711 1.00 53.33 H new ATOM 1361 N ALA A 92 -3.569 8.590 16.599 1.00 73.44 N ATOM 1362 CA ALA A 92 -3.941 7.220 16.204 1.00 2.31 C ATOM 1363 C ALA A 92 -4.720 7.219 14.856 1.00 14.41 C ATOM 1364 O ALA A 92 -5.928 7.496 14.810 1.00 4.42 O ATOM 1365 CB ALA A 92 -4.755 6.548 17.324 1.00 5.14 C ATOM 0 H ALA A 92 -4.045 8.925 17.437 1.00 73.44 H new ATOM 0 HA ALA A 92 -3.029 6.642 16.051 1.00 2.31 H new ATOM 0 HB1 ALA A 92 -5.024 5.536 17.021 1.00 5.14 H new ATOM 0 HB2 ALA A 92 -4.157 6.507 18.234 1.00 5.14 H new ATOM 0 HB3 ALA A 92 -5.661 7.124 17.511 1.00 5.14 H new ATOM 1371 N LEU A 93 -3.986 6.925 13.766 1.00 71.52 N ATOM 1372 CA LEU A 93 -4.549 6.844 12.405 1.00 64.11 C ATOM 1373 C LEU A 93 -4.960 5.380 12.145 1.00 63.34 C ATOM 1374 O LEU A 93 -4.131 4.470 12.245 1.00 30.43 O ATOM 1375 CB LEU A 93 -3.520 7.352 11.329 1.00 23.25 C ATOM 1376 CG LEU A 93 -4.111 7.950 9.989 1.00 55.40 C ATOM 1377 CD1 LEU A 93 -2.994 8.507 9.078 1.00 24.34 C ATOM 1378 CD2 LEU A 93 -4.986 6.942 9.195 1.00 55.44 C ATOM 0 H LEU A 93 -2.984 6.737 13.805 1.00 71.52 H new ATOM 0 HA LEU A 93 -5.422 7.492 12.325 1.00 64.11 H new ATOM 0 HB2 LEU A 93 -2.895 8.115 11.793 1.00 23.25 H new ATOM 0 HB3 LEU A 93 -2.866 6.520 11.068 1.00 23.25 H new ATOM 0 HG LEU A 93 -4.764 8.766 10.300 1.00 55.40 H new ATOM 0 HD11 LEU A 93 -3.435 8.910 8.166 1.00 24.34 H new ATOM 0 HD12 LEU A 93 -2.458 9.298 9.602 1.00 24.34 H new ATOM 0 HD13 LEU A 93 -2.300 7.706 8.822 1.00 24.34 H new ATOM 0 HD21 LEU A 93 -5.358 7.419 8.288 1.00 55.44 H new ATOM 0 HD22 LEU A 93 -4.387 6.072 8.928 1.00 55.44 H new ATOM 0 HD23 LEU A 93 -5.828 6.627 9.811 1.00 55.44 H new ATOM 1390 N ARG A 94 -6.250 5.168 11.841 1.00 21.32 N ATOM 1391 CA ARG A 94 -6.774 3.856 11.420 1.00 15.51 C ATOM 1392 C ARG A 94 -6.961 3.839 9.883 1.00 74.33 C ATOM 1393 O ARG A 94 -7.944 4.410 9.376 1.00 12.55 O ATOM 1394 CB ARG A 94 -8.136 3.560 12.117 1.00 74.55 C ATOM 1395 CG ARG A 94 -8.665 2.109 11.924 1.00 22.31 C ATOM 1396 CD ARG A 94 -10.186 1.967 12.198 1.00 72.34 C ATOM 1397 NE ARG A 94 -10.613 2.599 13.464 1.00 12.53 N ATOM 1398 CZ ARG A 94 -11.421 2.079 14.358 1.00 53.44 C ATOM 1399 NH1 ARG A 94 -11.859 0.860 14.245 1.00 61.44 N ATOM 1400 NH2 ARG A 94 -11.765 2.789 15.378 1.00 64.11 N ATOM 0 H ARG A 94 -6.960 5.899 11.880 1.00 21.32 H new ATOM 0 HA ARG A 94 -6.059 3.086 11.710 1.00 15.51 H new ATOM 0 HB2 ARG A 94 -8.032 3.755 13.184 1.00 74.55 H new ATOM 0 HB3 ARG A 94 -8.882 4.258 11.737 1.00 74.55 H new ATOM 0 HG2 ARG A 94 -8.455 1.786 10.904 1.00 22.31 H new ATOM 0 HG3 ARG A 94 -8.119 1.440 12.589 1.00 22.31 H new ATOM 0 HD2 ARG A 94 -10.740 2.413 11.372 1.00 72.34 H new ATOM 0 HD3 ARG A 94 -10.447 0.909 12.222 1.00 72.34 H new ATOM 0 HE ARG A 94 -10.244 3.529 13.662 1.00 12.53 H new ATOM 0 HH11 ARG A 94 -11.575 0.288 13.450 1.00 61.44 H new ATOM 0 HH12 ARG A 94 -12.486 0.476 14.952 1.00 61.44 H new ATOM 0 HH21 ARG A 94 -11.410 3.740 15.481 1.00 64.11 H new ATOM 0 HH22 ARG A 94 -12.392 2.400 16.082 1.00 64.11 H new ATOM 1414 N PRO A 95 -6.005 3.250 9.095 1.00 72.30 N ATOM 1415 CA PRO A 95 -6.232 2.987 7.663 1.00 30.43 C ATOM 1416 C PRO A 95 -7.147 1.751 7.469 1.00 21.02 C ATOM 1417 O PRO A 95 -7.419 0.999 8.419 1.00 43.32 O ATOM 1418 CB PRO A 95 -4.798 2.766 7.084 1.00 3.35 C ATOM 1419 CG PRO A 95 -3.850 3.030 8.226 1.00 24.24 C ATOM 1420 CD PRO A 95 -4.646 2.817 9.498 1.00 53.41 C ATOM 0 HA PRO A 95 -6.748 3.801 7.153 1.00 30.43 H new ATOM 0 HB2 PRO A 95 -4.681 1.751 6.705 1.00 3.35 H new ATOM 0 HB3 PRO A 95 -4.604 3.441 6.251 1.00 3.35 H new ATOM 0 HG2 PRO A 95 -2.995 2.356 8.185 1.00 24.24 H new ATOM 0 HG3 PRO A 95 -3.457 4.046 8.179 1.00 24.24 H new ATOM 0 HD2 PRO A 95 -4.629 1.775 9.819 1.00 53.41 H new ATOM 0 HD3 PRO A 95 -4.258 3.412 10.325 1.00 53.41 H new ATOM 1428 N GLU A 96 -7.624 1.552 6.246 1.00 24.23 N ATOM 1429 CA GLU A 96 -8.530 0.439 5.907 1.00 35.52 C ATOM 1430 C GLU A 96 -7.751 -0.644 5.127 1.00 34.21 C ATOM 1431 O GLU A 96 -7.535 -0.523 3.927 1.00 62.13 O ATOM 1432 CB GLU A 96 -9.724 1.014 5.099 1.00 75.32 C ATOM 1433 CG GLU A 96 -10.822 0.008 4.711 1.00 13.34 C ATOM 1434 CD GLU A 96 -12.011 0.695 4.010 1.00 34.42 C ATOM 1435 OE1 GLU A 96 -11.910 1.004 2.805 1.00 51.31 O ATOM 1436 OE2 GLU A 96 -13.039 0.966 4.671 1.00 24.11 O ATOM 0 H GLU A 96 -7.399 2.154 5.454 1.00 24.23 H new ATOM 0 HA GLU A 96 -8.924 -0.039 6.804 1.00 35.52 H new ATOM 0 HB2 GLU A 96 -10.181 1.813 5.683 1.00 75.32 H new ATOM 0 HB3 GLU A 96 -9.335 1.467 4.187 1.00 75.32 H new ATOM 0 HG2 GLU A 96 -10.402 -0.751 4.052 1.00 13.34 H new ATOM 0 HG3 GLU A 96 -11.175 -0.506 5.605 1.00 13.34 H new ATOM 1443 N MET A 97 -7.290 -1.689 5.845 1.00 64.35 N ATOM 1444 CA MET A 97 -6.493 -2.798 5.261 1.00 22.42 C ATOM 1445 C MET A 97 -7.338 -4.082 5.109 1.00 31.35 C ATOM 1446 O MET A 97 -8.040 -4.483 6.041 1.00 50.11 O ATOM 1447 CB MET A 97 -5.232 -3.102 6.119 1.00 54.32 C ATOM 1448 CG MET A 97 -4.170 -1.995 6.138 1.00 45.32 C ATOM 1449 SD MET A 97 -4.662 -0.548 7.084 1.00 50.11 S ATOM 1450 CE MET A 97 -4.754 -1.227 8.736 1.00 71.52 C ATOM 0 H MET A 97 -7.457 -1.792 6.846 1.00 64.35 H new ATOM 0 HA MET A 97 -6.174 -2.471 4.271 1.00 22.42 H new ATOM 0 HB2 MET A 97 -5.548 -3.297 7.144 1.00 54.32 H new ATOM 0 HB3 MET A 97 -4.772 -4.018 5.748 1.00 54.32 H new ATOM 0 HG2 MET A 97 -3.246 -2.396 6.555 1.00 45.32 H new ATOM 0 HG3 MET A 97 -3.952 -1.693 5.113 1.00 45.32 H new ATOM 0 HE1 MET A 97 -4.349 -0.508 9.448 1.00 71.52 H new ATOM 0 HE2 MET A 97 -5.794 -1.438 8.985 1.00 71.52 H new ATOM 0 HE3 MET A 97 -4.175 -2.149 8.783 1.00 71.52 H new ATOM 1460 N GLN A 98 -7.228 -4.742 3.941 1.00 22.40 N ATOM 1461 CA GLN A 98 -7.948 -6.005 3.655 1.00 52.25 C ATOM 1462 C GLN A 98 -7.048 -7.000 2.893 1.00 4.54 C ATOM 1463 O GLN A 98 -6.371 -6.630 1.926 1.00 72.15 O ATOM 1464 CB GLN A 98 -9.243 -5.730 2.845 1.00 52.22 C ATOM 1465 CG GLN A 98 -10.085 -6.985 2.524 1.00 53.05 C ATOM 1466 CD GLN A 98 -10.578 -7.735 3.770 1.00 35.13 C ATOM 1467 OE1 GLN A 98 -10.864 -7.140 4.806 1.00 40.35 O ATOM 1468 NE2 GLN A 98 -10.646 -9.050 3.690 1.00 14.15 N ATOM 0 H GLN A 98 -6.642 -4.420 3.171 1.00 22.40 H new ATOM 0 HA GLN A 98 -8.221 -6.452 4.611 1.00 52.25 H new ATOM 0 HB2 GLN A 98 -9.862 -5.028 3.403 1.00 52.22 H new ATOM 0 HB3 GLN A 98 -8.972 -5.242 1.909 1.00 52.22 H new ATOM 0 HG2 GLN A 98 -10.946 -6.690 1.924 1.00 53.05 H new ATOM 0 HG3 GLN A 98 -9.490 -7.664 1.914 1.00 53.05 H new ATOM 0 HE21 GLN A 98 -10.403 -9.521 2.818 1.00 14.15 H new ATOM 0 HE22 GLN A 98 -10.941 -9.596 4.500 1.00 14.15 H new ATOM 1477 N LEU A 99 -7.058 -8.257 3.352 1.00 2.52 N ATOM 1478 CA LEU A 99 -6.355 -9.373 2.702 1.00 54.34 C ATOM 1479 C LEU A 99 -7.217 -9.978 1.568 1.00 14.31 C ATOM 1480 O LEU A 99 -8.419 -10.229 1.752 1.00 23.15 O ATOM 1481 CB LEU A 99 -6.010 -10.445 3.764 1.00 64.10 C ATOM 1482 CG LEU A 99 -4.944 -10.024 4.830 1.00 33.11 C ATOM 1483 CD1 LEU A 99 -4.734 -11.119 5.901 1.00 71.53 C ATOM 1484 CD2 LEU A 99 -3.606 -9.633 4.160 1.00 21.52 C ATOM 0 H LEU A 99 -7.560 -8.533 4.196 1.00 2.52 H new ATOM 0 HA LEU A 99 -5.433 -9.004 2.253 1.00 54.34 H new ATOM 0 HB2 LEU A 99 -6.927 -10.724 4.284 1.00 64.10 H new ATOM 0 HB3 LEU A 99 -5.651 -11.337 3.250 1.00 64.10 H new ATOM 0 HG LEU A 99 -5.333 -9.144 5.342 1.00 33.11 H new ATOM 0 HD11 LEU A 99 -3.986 -10.785 6.621 1.00 71.53 H new ATOM 0 HD12 LEU A 99 -5.675 -11.308 6.417 1.00 71.53 H new ATOM 0 HD13 LEU A 99 -4.392 -12.036 5.421 1.00 71.53 H new ATOM 0 HD21 LEU A 99 -2.886 -9.345 4.926 1.00 21.52 H new ATOM 0 HD22 LEU A 99 -3.218 -10.483 3.598 1.00 21.52 H new ATOM 0 HD23 LEU A 99 -3.770 -8.795 3.483 1.00 21.52 H new ATOM 1496 N GLU A 100 -6.587 -10.197 0.402 1.00 73.40 N ATOM 1497 CA GLU A 100 -7.232 -10.759 -0.806 1.00 42.02 C ATOM 1498 C GLU A 100 -6.309 -11.782 -1.485 1.00 42.45 C ATOM 1499 O GLU A 100 -5.094 -11.614 -1.493 1.00 12.44 O ATOM 1500 CB GLU A 100 -7.572 -9.638 -1.825 1.00 64.34 C ATOM 1501 CG GLU A 100 -8.682 -8.659 -1.386 1.00 4.10 C ATOM 1502 CD GLU A 100 -9.048 -7.631 -2.469 1.00 15.35 C ATOM 1503 OE1 GLU A 100 -9.240 -8.031 -3.644 1.00 2.13 O ATOM 1504 OE2 GLU A 100 -9.166 -6.435 -2.157 1.00 13.33 O ATOM 0 H GLU A 100 -5.598 -9.986 0.266 1.00 73.40 H new ATOM 0 HA GLU A 100 -8.152 -11.249 -0.488 1.00 42.02 H new ATOM 0 HB2 GLU A 100 -6.666 -9.067 -2.027 1.00 64.34 H new ATOM 0 HB3 GLU A 100 -7.871 -10.103 -2.764 1.00 64.34 H new ATOM 0 HG2 GLU A 100 -9.573 -9.227 -1.118 1.00 4.10 H new ATOM 0 HG3 GLU A 100 -8.358 -8.132 -0.489 1.00 4.10 H new ATOM 1511 N GLN A 101 -6.901 -12.831 -2.078 1.00 71.30 N ATOM 1512 CA GLN A 101 -6.153 -13.848 -2.846 1.00 11.15 C ATOM 1513 C GLN A 101 -6.255 -13.542 -4.359 1.00 25.13 C ATOM 1514 O GLN A 101 -7.352 -13.485 -4.923 1.00 22.34 O ATOM 1515 CB GLN A 101 -6.646 -15.300 -2.539 1.00 55.33 C ATOM 1516 CG GLN A 101 -6.216 -15.879 -1.162 1.00 65.05 C ATOM 1517 CD GLN A 101 -6.892 -15.225 0.049 1.00 22.21 C ATOM 1518 OE1 GLN A 101 -6.270 -14.212 0.617 1.00 14.24 O flip ATOM 1519 NE2 GLN A 101 -7.958 -15.643 0.484 1.00 44.42 N flip ATOM 0 H GLN A 101 -7.906 -13.001 -2.041 1.00 71.30 H new ATOM 0 HA GLN A 101 -5.109 -13.798 -2.538 1.00 11.15 H new ATOM 0 HB2 GLN A 101 -7.734 -15.314 -2.595 1.00 55.33 H new ATOM 0 HB3 GLN A 101 -6.278 -15.963 -3.322 1.00 55.33 H new ATOM 0 HG2 GLN A 101 -6.433 -16.947 -1.149 1.00 65.05 H new ATOM 0 HG3 GLN A 101 -5.136 -15.772 -1.060 1.00 65.05 H new ATOM 0 HE21 GLN A 101 -8.422 -16.429 0.028 1.00 44.42 H new ATOM 0 HE22 GLN A 101 -8.382 -15.205 1.302 1.00 44.42 H new ATOM 1528 N VAL A 102 -5.093 -13.322 -4.991 1.00 65.42 N ATOM 1529 CA VAL A 102 -4.965 -13.082 -6.444 1.00 74.12 C ATOM 1530 C VAL A 102 -4.035 -14.177 -7.022 1.00 0.12 C ATOM 1531 O VAL A 102 -2.832 -14.203 -6.721 1.00 25.21 O ATOM 1532 CB VAL A 102 -4.398 -11.640 -6.758 1.00 13.23 C ATOM 1533 CG1 VAL A 102 -4.370 -11.370 -8.286 1.00 54.42 C ATOM 1534 CG2 VAL A 102 -5.198 -10.539 -6.009 1.00 72.42 C ATOM 0 H VAL A 102 -4.198 -13.305 -4.502 1.00 65.42 H new ATOM 0 HA VAL A 102 -5.950 -13.130 -6.908 1.00 74.12 H new ATOM 0 HB VAL A 102 -3.371 -11.605 -6.393 1.00 13.23 H new ATOM 0 HG11 VAL A 102 -3.976 -10.371 -8.472 1.00 54.42 H new ATOM 0 HG12 VAL A 102 -3.734 -12.108 -8.774 1.00 54.42 H new ATOM 0 HG13 VAL A 102 -5.381 -11.441 -8.687 1.00 54.42 H new ATOM 0 HG21 VAL A 102 -4.781 -9.560 -6.248 1.00 72.42 H new ATOM 0 HG22 VAL A 102 -6.243 -10.574 -6.319 1.00 72.42 H new ATOM 0 HG23 VAL A 102 -5.132 -10.709 -4.934 1.00 72.42 H new ATOM 1544 N GLY A 103 -4.611 -15.081 -7.841 1.00 42.10 N ATOM 1545 CA GLY A 103 -3.940 -16.325 -8.271 1.00 3.43 C ATOM 1546 C GLY A 103 -3.514 -17.256 -7.116 1.00 14.54 C ATOM 1547 O GLY A 103 -2.576 -18.045 -7.260 1.00 50.44 O ATOM 0 H GLY A 103 -5.551 -14.970 -8.222 1.00 42.10 H new ATOM 0 HA2 GLY A 103 -4.609 -16.873 -8.934 1.00 3.43 H new ATOM 0 HA3 GLY A 103 -3.057 -16.063 -8.854 1.00 3.43 H new ATOM 1551 N GLY A 104 -4.241 -17.184 -5.981 1.00 72.32 N ATOM 1552 CA GLY A 104 -3.907 -17.954 -4.763 1.00 61.04 C ATOM 1553 C GLY A 104 -2.822 -17.318 -3.866 1.00 51.33 C ATOM 1554 O GLY A 104 -2.477 -17.879 -2.818 1.00 20.01 O ATOM 0 H GLY A 104 -5.069 -16.596 -5.883 1.00 72.32 H new ATOM 0 HA2 GLY A 104 -4.814 -18.084 -4.173 1.00 61.04 H new ATOM 0 HA3 GLY A 104 -3.575 -18.949 -5.060 1.00 61.04 H new ATOM 1558 N LYS A 105 -2.276 -16.155 -4.279 1.00 12.13 N ATOM 1559 CA LYS A 105 -1.257 -15.399 -3.498 1.00 11.21 C ATOM 1560 C LYS A 105 -1.927 -14.216 -2.762 1.00 22.22 C ATOM 1561 O LYS A 105 -2.663 -13.453 -3.379 1.00 1.32 O ATOM 1562 CB LYS A 105 -0.112 -14.877 -4.419 1.00 75.34 C ATOM 1563 CG LYS A 105 0.872 -15.955 -4.958 1.00 71.52 C ATOM 1564 CD LYS A 105 0.298 -16.840 -6.090 1.00 44.12 C ATOM 1565 CE LYS A 105 0.041 -16.057 -7.392 1.00 21.23 C ATOM 1566 NZ LYS A 105 1.285 -15.475 -7.964 1.00 41.53 N ATOM 0 H LYS A 105 -2.525 -15.708 -5.162 1.00 12.13 H new ATOM 0 HA LYS A 105 -0.818 -16.078 -2.766 1.00 11.21 H new ATOM 0 HB2 LYS A 105 -0.561 -14.365 -5.270 1.00 75.34 H new ATOM 0 HB3 LYS A 105 0.462 -14.133 -3.866 1.00 75.34 H new ATOM 0 HG2 LYS A 105 1.771 -15.458 -5.323 1.00 71.52 H new ATOM 0 HG3 LYS A 105 1.176 -16.597 -4.131 1.00 71.52 H new ATOM 0 HD2 LYS A 105 0.992 -17.656 -6.294 1.00 44.12 H new ATOM 0 HD3 LYS A 105 -0.635 -17.292 -5.753 1.00 44.12 H new ATOM 0 HE2 LYS A 105 -0.417 -16.720 -8.126 1.00 21.23 H new ATOM 0 HE3 LYS A 105 -0.673 -15.257 -7.196 1.00 21.23 H new ATOM 0 HZ1 LYS A 105 1.233 -15.497 -9.002 1.00 41.53 H new ATOM 0 HZ2 LYS A 105 1.387 -14.491 -7.643 1.00 41.53 H new ATOM 0 HZ3 LYS A 105 2.106 -16.029 -7.646 1.00 41.53 H new ATOM 1580 N THR A 106 -1.650 -14.042 -1.454 1.00 32.34 N ATOM 1581 CA THR A 106 -2.412 -13.080 -0.604 1.00 45.51 C ATOM 1582 C THR A 106 -1.763 -11.666 -0.540 1.00 31.25 C ATOM 1583 O THR A 106 -0.743 -11.459 0.116 1.00 74.42 O ATOM 1584 CB THR A 106 -2.635 -13.639 0.840 1.00 4.51 C ATOM 1585 OG1 THR A 106 -3.275 -14.928 0.750 1.00 74.51 O ATOM 1586 CG2 THR A 106 -3.523 -12.705 1.696 1.00 73.23 C ATOM 0 H THR A 106 -0.914 -14.545 -0.959 1.00 32.34 H new ATOM 0 HA THR A 106 -3.380 -12.964 -1.091 1.00 45.51 H new ATOM 0 HB THR A 106 -1.660 -13.714 1.321 1.00 4.51 H new ATOM 0 HG1 THR A 106 -4.246 -14.808 0.687 1.00 74.51 H new ATOM 0 HG21 THR A 106 -3.650 -13.134 2.690 1.00 73.23 H new ATOM 0 HG22 THR A 106 -3.048 -11.728 1.781 1.00 73.23 H new ATOM 0 HG23 THR A 106 -4.498 -12.594 1.221 1.00 73.23 H new ATOM 1594 N LEU A 107 -2.395 -10.713 -1.244 1.00 2.14 N ATOM 1595 CA LEU A 107 -2.009 -9.277 -1.246 1.00 53.41 C ATOM 1596 C LEU A 107 -2.804 -8.483 -0.177 1.00 72.11 C ATOM 1597 O LEU A 107 -3.895 -8.893 0.235 1.00 24.44 O ATOM 1598 CB LEU A 107 -2.215 -8.630 -2.652 1.00 13.12 C ATOM 1599 CG LEU A 107 -1.232 -9.083 -3.784 1.00 13.45 C ATOM 1600 CD1 LEU A 107 -1.450 -10.555 -4.196 1.00 61.23 C ATOM 1601 CD2 LEU A 107 -1.325 -8.144 -5.005 1.00 40.53 C ATOM 0 H LEU A 107 -3.200 -10.912 -1.838 1.00 2.14 H new ATOM 0 HA LEU A 107 -0.948 -9.231 -1.000 1.00 53.41 H new ATOM 0 HB2 LEU A 107 -3.233 -8.843 -2.979 1.00 13.12 H new ATOM 0 HB3 LEU A 107 -2.135 -7.548 -2.544 1.00 13.12 H new ATOM 0 HG LEU A 107 -0.223 -9.015 -3.376 1.00 13.45 H new ATOM 0 HD11 LEU A 107 -0.745 -10.821 -4.983 1.00 61.23 H new ATOM 0 HD12 LEU A 107 -1.291 -11.202 -3.333 1.00 61.23 H new ATOM 0 HD13 LEU A 107 -2.468 -10.683 -4.563 1.00 61.23 H new ATOM 0 HD21 LEU A 107 -0.632 -8.481 -5.776 1.00 40.53 H new ATOM 0 HD22 LEU A 107 -2.341 -8.158 -5.398 1.00 40.53 H new ATOM 0 HD23 LEU A 107 -1.067 -7.129 -4.704 1.00 40.53 H new ATOM 1613 N LEU A 108 -2.235 -7.343 0.266 1.00 52.30 N ATOM 1614 CA LEU A 108 -2.888 -6.424 1.224 1.00 21.55 C ATOM 1615 C LEU A 108 -3.229 -5.076 0.546 1.00 51.21 C ATOM 1616 O LEU A 108 -2.336 -4.343 0.111 1.00 22.14 O ATOM 1617 CB LEU A 108 -1.975 -6.165 2.455 1.00 41.12 C ATOM 1618 CG LEU A 108 -2.605 -5.272 3.578 1.00 12.21 C ATOM 1619 CD1 LEU A 108 -3.818 -5.969 4.214 1.00 13.33 C ATOM 1620 CD2 LEU A 108 -1.559 -4.872 4.645 1.00 2.23 C ATOM 0 H LEU A 108 -1.310 -7.033 -0.030 1.00 52.30 H new ATOM 0 HA LEU A 108 -3.810 -6.899 1.559 1.00 21.55 H new ATOM 0 HB2 LEU A 108 -1.698 -7.125 2.890 1.00 41.12 H new ATOM 0 HB3 LEU A 108 -1.055 -5.693 2.111 1.00 41.12 H new ATOM 0 HG LEU A 108 -2.953 -4.350 3.112 1.00 12.21 H new ATOM 0 HD11 LEU A 108 -4.239 -5.330 4.991 1.00 13.33 H new ATOM 0 HD12 LEU A 108 -4.572 -6.156 3.450 1.00 13.33 H new ATOM 0 HD13 LEU A 108 -3.504 -6.916 4.653 1.00 13.33 H new ATOM 0 HD21 LEU A 108 -2.034 -4.253 5.406 1.00 2.23 H new ATOM 0 HD22 LEU A 108 -1.151 -5.770 5.109 1.00 2.23 H new ATOM 0 HD23 LEU A 108 -0.753 -4.310 4.172 1.00 2.23 H new ATOM 1632 N VAL A 109 -4.529 -4.766 0.459 1.00 22.30 N ATOM 1633 CA VAL A 109 -5.022 -3.457 -0.011 1.00 13.44 C ATOM 1634 C VAL A 109 -5.083 -2.465 1.171 1.00 54.41 C ATOM 1635 O VAL A 109 -5.865 -2.660 2.102 1.00 62.45 O ATOM 1636 CB VAL A 109 -6.447 -3.596 -0.664 1.00 61.10 C ATOM 1637 CG1 VAL A 109 -7.016 -2.228 -1.123 1.00 50.44 C ATOM 1638 CG2 VAL A 109 -6.412 -4.597 -1.833 1.00 63.44 C ATOM 0 H VAL A 109 -5.274 -5.415 0.712 1.00 22.30 H new ATOM 0 HA VAL A 109 -4.332 -3.081 -0.766 1.00 13.44 H new ATOM 0 HB VAL A 109 -7.120 -3.979 0.103 1.00 61.10 H new ATOM 0 HG11 VAL A 109 -8.001 -2.374 -1.567 1.00 50.44 H new ATOM 0 HG12 VAL A 109 -7.101 -1.562 -0.264 1.00 50.44 H new ATOM 0 HG13 VAL A 109 -6.347 -1.785 -1.861 1.00 50.44 H new ATOM 0 HG21 VAL A 109 -7.407 -4.679 -2.271 1.00 63.44 H new ATOM 0 HG22 VAL A 109 -5.710 -4.248 -2.590 1.00 63.44 H new ATOM 0 HG23 VAL A 109 -6.095 -5.573 -1.467 1.00 63.44 H new ATOM 1648 N VAL A 110 -4.239 -1.422 1.140 1.00 41.31 N ATOM 1649 CA VAL A 110 -4.218 -0.373 2.185 1.00 43.14 C ATOM 1650 C VAL A 110 -4.859 0.925 1.652 1.00 43.51 C ATOM 1651 O VAL A 110 -4.239 1.674 0.899 1.00 21.44 O ATOM 1652 CB VAL A 110 -2.753 -0.078 2.682 1.00 24.21 C ATOM 1653 CG1 VAL A 110 -2.729 0.957 3.844 1.00 31.13 C ATOM 1654 CG2 VAL A 110 -2.034 -1.388 3.080 1.00 4.41 C ATOM 0 H VAL A 110 -3.554 -1.278 0.398 1.00 41.31 H new ATOM 0 HA VAL A 110 -4.795 -0.742 3.033 1.00 43.14 H new ATOM 0 HB VAL A 110 -2.209 0.369 1.850 1.00 24.21 H new ATOM 0 HG11 VAL A 110 -1.699 1.130 4.155 1.00 31.13 H new ATOM 0 HG12 VAL A 110 -3.168 1.895 3.505 1.00 31.13 H new ATOM 0 HG13 VAL A 110 -3.303 0.571 4.687 1.00 31.13 H new ATOM 0 HG21 VAL A 110 -1.024 -1.160 3.420 1.00 4.41 H new ATOM 0 HG22 VAL A 110 -2.586 -1.876 3.883 1.00 4.41 H new ATOM 0 HG23 VAL A 110 -1.985 -2.053 2.217 1.00 4.41 H new ATOM 1664 N TYR A 111 -6.113 1.162 2.041 1.00 35.32 N ATOM 1665 CA TYR A 111 -6.835 2.409 1.747 1.00 61.13 C ATOM 1666 C TYR A 111 -6.495 3.482 2.801 1.00 71.52 C ATOM 1667 O TYR A 111 -6.564 3.216 4.003 1.00 22.22 O ATOM 1668 CB TYR A 111 -8.369 2.149 1.726 1.00 41.34 C ATOM 1669 CG TYR A 111 -9.228 3.397 1.443 1.00 61.15 C ATOM 1670 CD1 TYR A 111 -9.038 4.137 0.283 1.00 5.43 C ATOM 1671 CD2 TYR A 111 -10.220 3.835 2.331 1.00 55.10 C ATOM 1672 CE1 TYR A 111 -9.793 5.251 0.007 1.00 55.41 C ATOM 1673 CE2 TYR A 111 -10.980 4.961 2.052 1.00 22.32 C ATOM 1674 CZ TYR A 111 -10.760 5.662 0.886 1.00 32.55 C ATOM 1675 OH TYR A 111 -11.507 6.783 0.595 1.00 52.14 O ATOM 0 H TYR A 111 -6.664 0.490 2.574 1.00 35.32 H new ATOM 0 HA TYR A 111 -6.526 2.769 0.766 1.00 61.13 H new ATOM 0 HB2 TYR A 111 -8.586 1.395 0.969 1.00 41.34 H new ATOM 0 HB3 TYR A 111 -8.666 1.730 2.687 1.00 41.34 H new ATOM 0 HD1 TYR A 111 -8.278 3.829 -0.419 1.00 5.43 H new ATOM 0 HD2 TYR A 111 -10.395 3.288 3.246 1.00 55.10 H new ATOM 0 HE1 TYR A 111 -9.624 5.804 -0.905 1.00 55.41 H new ATOM 0 HE2 TYR A 111 -11.741 5.287 2.745 1.00 22.32 H new ATOM 0 HH TYR A 111 -12.151 6.943 1.316 1.00 52.14 H new ATOM 1685 N VAL A 112 -6.095 4.676 2.346 1.00 51.42 N ATOM 1686 CA VAL A 112 -5.941 5.853 3.221 1.00 41.11 C ATOM 1687 C VAL A 112 -7.209 6.750 3.111 1.00 73.30 C ATOM 1688 O VAL A 112 -7.394 7.436 2.093 1.00 74.45 O ATOM 1689 CB VAL A 112 -4.643 6.675 2.860 1.00 24.21 C ATOM 1690 CG1 VAL A 112 -4.425 7.865 3.834 1.00 33.14 C ATOM 1691 CG2 VAL A 112 -3.394 5.754 2.823 1.00 0.04 C ATOM 0 H VAL A 112 -5.869 4.857 1.368 1.00 51.42 H new ATOM 0 HA VAL A 112 -5.830 5.509 4.249 1.00 41.11 H new ATOM 0 HB VAL A 112 -4.790 7.092 1.864 1.00 24.21 H new ATOM 0 HG11 VAL A 112 -3.522 8.405 3.552 1.00 33.14 H new ATOM 0 HG12 VAL A 112 -5.281 8.538 3.784 1.00 33.14 H new ATOM 0 HG13 VAL A 112 -4.319 7.488 4.851 1.00 33.14 H new ATOM 0 HG21 VAL A 112 -2.513 6.345 2.572 1.00 0.04 H new ATOM 0 HG22 VAL A 112 -3.254 5.291 3.800 1.00 0.04 H new ATOM 0 HG23 VAL A 112 -3.536 4.978 2.071 1.00 0.04 H new ATOM 1701 N PRO A 113 -8.141 6.706 4.125 1.00 22.54 N ATOM 1702 CA PRO A 113 -9.306 7.628 4.183 1.00 64.41 C ATOM 1703 C PRO A 113 -8.915 9.032 4.712 1.00 53.34 C ATOM 1704 O PRO A 113 -8.007 9.159 5.547 1.00 25.23 O ATOM 1705 CB PRO A 113 -10.265 6.895 5.150 1.00 30.33 C ATOM 1706 CG PRO A 113 -9.361 6.151 6.090 1.00 42.12 C ATOM 1707 CD PRO A 113 -8.146 5.748 5.273 1.00 42.23 C ATOM 0 HA PRO A 113 -9.744 7.827 3.205 1.00 64.41 H new ATOM 0 HB2 PRO A 113 -10.901 7.599 5.686 1.00 30.33 H new ATOM 0 HB3 PRO A 113 -10.925 6.214 4.613 1.00 30.33 H new ATOM 0 HG2 PRO A 113 -9.073 6.779 6.933 1.00 42.12 H new ATOM 0 HG3 PRO A 113 -9.862 5.275 6.502 1.00 42.12 H new ATOM 0 HD2 PRO A 113 -7.230 5.823 5.858 1.00 42.23 H new ATOM 0 HD3 PRO A 113 -8.221 4.716 4.930 1.00 42.23 H new ATOM 1715 N GLU A 114 -9.599 10.086 4.224 1.00 73.41 N ATOM 1716 CA GLU A 114 -9.315 11.474 4.636 1.00 53.31 C ATOM 1717 C GLU A 114 -9.873 11.765 6.050 1.00 12.30 C ATOM 1718 O GLU A 114 -11.015 11.412 6.366 1.00 30.11 O ATOM 1719 CB GLU A 114 -9.908 12.475 3.608 1.00 4.04 C ATOM 1720 CG GLU A 114 -9.639 13.962 3.921 1.00 11.04 C ATOM 1721 CD GLU A 114 -8.150 14.353 3.826 1.00 40.33 C ATOM 1722 OE1 GLU A 114 -7.375 14.048 4.767 1.00 22.32 O ATOM 1723 OE2 GLU A 114 -7.746 14.975 2.820 1.00 2.54 O ATOM 0 H GLU A 114 -10.353 10.001 3.543 1.00 73.41 H new ATOM 0 HA GLU A 114 -8.233 11.599 4.668 1.00 53.31 H new ATOM 0 HB2 GLU A 114 -9.501 12.246 2.623 1.00 4.04 H new ATOM 0 HB3 GLU A 114 -10.985 12.320 3.551 1.00 4.04 H new ATOM 0 HG2 GLU A 114 -10.213 14.580 3.230 1.00 11.04 H new ATOM 0 HG3 GLU A 114 -10.001 14.185 4.925 1.00 11.04 H new ATOM 1730 N ALA A 115 -9.052 12.409 6.885 1.00 71.11 N ATOM 1731 CA ALA A 115 -9.392 12.727 8.290 1.00 40.42 C ATOM 1732 C ALA A 115 -10.012 14.145 8.459 1.00 12.22 C ATOM 1733 O ALA A 115 -10.070 14.928 7.505 1.00 35.04 O ATOM 1734 CB ALA A 115 -8.117 12.577 9.121 1.00 74.44 C ATOM 0 H ALA A 115 -8.124 12.730 6.610 1.00 71.11 H new ATOM 0 HA ALA A 115 -10.161 12.036 8.634 1.00 40.42 H new ATOM 0 HB1 ALA A 115 -8.334 12.805 10.165 1.00 74.44 H new ATOM 0 HB2 ALA A 115 -7.749 11.554 9.042 1.00 74.44 H new ATOM 0 HB3 ALA A 115 -7.358 13.265 8.750 1.00 74.44 H new ATOM 1740 N ASP A 116 -10.490 14.459 9.692 1.00 1.22 N ATOM 1741 CA ASP A 116 -11.088 15.782 10.036 1.00 62.31 C ATOM 1742 C ASP A 116 -9.980 16.824 10.317 1.00 34.25 C ATOM 1743 O ASP A 116 -9.087 16.528 11.050 1.00 14.35 O ATOM 1744 CB ASP A 116 -12.006 15.649 11.287 1.00 35.44 C ATOM 1745 CG ASP A 116 -12.517 17.010 11.809 1.00 53.02 C ATOM 1746 OD1 ASP A 116 -13.365 17.632 11.135 1.00 34.15 O ATOM 1747 OD2 ASP A 116 -12.028 17.485 12.865 1.00 15.45 O ATOM 0 H ASP A 116 -10.473 13.806 10.475 1.00 1.22 H new ATOM 0 HA ASP A 116 -11.682 16.118 9.186 1.00 62.31 H new ATOM 0 HB2 ASP A 116 -12.859 15.018 11.039 1.00 35.44 H new ATOM 0 HB3 ASP A 116 -11.457 15.144 12.082 1.00 35.44 H new ATOM 1752 N VAL A 117 -10.158 18.066 9.841 1.00 73.13 N ATOM 1753 CA VAL A 117 -9.125 19.163 9.833 1.00 3.52 C ATOM 1754 C VAL A 117 -8.207 19.250 11.101 1.00 35.34 C ATOM 1755 O VAL A 117 -7.001 19.509 10.972 1.00 61.11 O ATOM 1756 CB VAL A 117 -9.855 20.542 9.640 1.00 74.25 C ATOM 1757 CG1 VAL A 117 -8.881 21.758 9.656 1.00 24.22 C ATOM 1758 CG2 VAL A 117 -10.711 20.544 8.352 1.00 61.12 C ATOM 0 H VAL A 117 -11.045 18.364 9.434 1.00 73.13 H new ATOM 0 HA VAL A 117 -8.453 18.919 9.010 1.00 3.52 H new ATOM 0 HB VAL A 117 -10.514 20.659 10.500 1.00 74.25 H new ATOM 0 HG11 VAL A 117 -9.447 22.679 9.518 1.00 24.22 H new ATOM 0 HG12 VAL A 117 -8.358 21.793 10.612 1.00 24.22 H new ATOM 0 HG13 VAL A 117 -8.155 21.654 8.849 1.00 24.22 H new ATOM 0 HG21 VAL A 117 -11.204 21.510 8.244 1.00 61.12 H new ATOM 0 HG22 VAL A 117 -10.070 20.366 7.489 1.00 61.12 H new ATOM 0 HG23 VAL A 117 -11.463 19.758 8.414 1.00 61.12 H new ATOM 1768 N THR A 118 -8.774 19.013 12.306 1.00 13.23 N ATOM 1769 CA THR A 118 -8.009 19.067 13.585 1.00 42.41 C ATOM 1770 C THR A 118 -6.931 17.952 13.658 1.00 60.42 C ATOM 1771 O THR A 118 -5.761 18.223 13.952 1.00 62.41 O ATOM 1772 CB THR A 118 -8.953 18.952 14.825 1.00 43.30 C ATOM 1773 OG1 THR A 118 -9.654 17.692 14.796 1.00 72.04 O ATOM 1774 CG2 THR A 118 -9.973 20.107 14.875 1.00 52.33 C ATOM 0 H THR A 118 -9.760 18.782 12.425 1.00 13.23 H new ATOM 0 HA THR A 118 -7.513 20.038 13.605 1.00 42.41 H new ATOM 0 HB THR A 118 -8.331 19.010 15.718 1.00 43.30 H new ATOM 0 HG1 THR A 118 -10.389 17.741 14.149 1.00 72.04 H new ATOM 0 HG21 THR A 118 -10.611 19.991 15.751 1.00 52.33 H new ATOM 0 HG22 THR A 118 -9.443 21.058 14.935 1.00 52.33 H new ATOM 0 HG23 THR A 118 -10.587 20.090 13.974 1.00 52.33 H new ATOM 1782 N HIS A 119 -7.346 16.709 13.364 1.00 44.24 N ATOM 1783 CA HIS A 119 -6.436 15.543 13.166 1.00 22.12 C ATOM 1784 C HIS A 119 -6.852 14.941 11.800 1.00 64.14 C ATOM 1785 O HIS A 119 -7.469 13.884 11.792 1.00 13.13 O ATOM 1786 CB HIS A 119 -6.597 14.466 14.301 1.00 42.13 C ATOM 1787 CG HIS A 119 -6.909 15.001 15.665 1.00 31.52 C ATOM 1788 ND1 HIS A 119 -5.925 15.454 16.502 1.00 41.11 N ATOM 1789 CD2 HIS A 119 -8.102 15.085 16.298 1.00 3.24 C ATOM 1790 CE1 HIS A 119 -6.531 15.800 17.616 1.00 33.54 C ATOM 1791 NE2 HIS A 119 -7.851 15.595 17.543 1.00 53.10 N ATOM 0 H HIS A 119 -8.332 16.471 13.253 1.00 44.24 H new ATOM 0 HA HIS A 119 -5.392 15.854 13.195 1.00 22.12 H new ATOM 0 HB2 HIS A 119 -7.389 13.776 14.012 1.00 42.13 H new ATOM 0 HB3 HIS A 119 -5.676 13.887 14.360 1.00 42.13 H new ATOM 0 HD2 HIS A 119 -9.065 14.804 15.898 1.00 3.24 H new ATOM 0 HE1 HIS A 119 -6.026 16.200 18.483 1.00 33.54 H new ATOM 0 HE2 HIS A 119 -8.537 15.782 18.274 1.00 53.10 H new ATOM 1799 N LYS A 120 -6.616 15.589 10.612 1.00 1.44 N ATOM 1800 CA LYS A 120 -5.358 16.079 9.943 1.00 44.42 C ATOM 1801 C LYS A 120 -4.252 16.865 10.766 1.00 0.13 C ATOM 1802 O LYS A 120 -4.059 16.640 11.949 1.00 12.43 O ATOM 1803 CB LYS A 120 -5.816 16.831 8.656 1.00 31.15 C ATOM 1804 CG LYS A 120 -6.694 16.007 7.683 1.00 70.14 C ATOM 1805 CD LYS A 120 -7.303 16.864 6.546 1.00 54.30 C ATOM 1806 CE LYS A 120 -6.242 17.376 5.544 1.00 55.31 C ATOM 1807 NZ LYS A 120 -5.627 16.281 4.739 1.00 52.33 N ATOM 0 H LYS A 120 -7.416 15.811 10.019 1.00 1.44 H new ATOM 0 HA LYS A 120 -4.766 15.184 9.755 1.00 44.42 H new ATOM 0 HB2 LYS A 120 -6.370 17.721 8.954 1.00 31.15 H new ATOM 0 HB3 LYS A 120 -4.930 17.171 8.120 1.00 31.15 H new ATOM 0 HG2 LYS A 120 -6.093 15.209 7.247 1.00 70.14 H new ATOM 0 HG3 LYS A 120 -7.499 15.531 8.243 1.00 70.14 H new ATOM 0 HD2 LYS A 120 -8.046 16.273 6.010 1.00 54.30 H new ATOM 0 HD3 LYS A 120 -7.826 17.716 6.980 1.00 54.30 H new ATOM 0 HE2 LYS A 120 -6.704 18.099 4.872 1.00 55.31 H new ATOM 0 HE3 LYS A 120 -5.459 17.903 6.089 1.00 55.31 H new ATOM 0 HZ1 LYS A 120 -5.082 16.691 3.954 1.00 52.33 H new ATOM 0 HZ2 LYS A 120 -4.995 15.719 5.344 1.00 52.33 H new ATOM 0 HZ3 LYS A 120 -6.376 15.668 4.357 1.00 52.33 H new ATOM 1821 N PRO A 121 -3.436 17.779 10.122 1.00 11.52 N ATOM 1822 CA PRO A 121 -1.953 17.726 10.182 1.00 24.21 C ATOM 1823 C PRO A 121 -1.339 16.470 10.863 1.00 61.41 C ATOM 1824 O PRO A 121 -0.709 16.547 11.923 1.00 4.12 O ATOM 1825 CB PRO A 121 -1.652 19.061 10.893 1.00 24.52 C ATOM 1826 CG PRO A 121 -2.704 20.015 10.335 1.00 0.22 C ATOM 1827 CD PRO A 121 -3.793 19.150 9.668 1.00 70.54 C ATOM 0 HA PRO A 121 -1.487 17.619 9.202 1.00 24.21 H new ATOM 0 HB2 PRO A 121 -1.733 18.965 11.976 1.00 24.52 H new ATOM 0 HB3 PRO A 121 -0.642 19.410 10.679 1.00 24.52 H new ATOM 0 HG2 PRO A 121 -3.131 20.626 11.131 1.00 0.22 H new ATOM 0 HG3 PRO A 121 -2.259 20.699 9.612 1.00 0.22 H new ATOM 0 HD2 PRO A 121 -4.794 19.437 9.991 1.00 70.54 H new ATOM 0 HD3 PRO A 121 -3.771 19.237 8.582 1.00 70.54 H new ATOM 1835 N ILE A 122 -1.561 15.291 10.220 1.00 2.01 N ATOM 1836 CA ILE A 122 -1.020 13.996 10.686 1.00 21.11 C ATOM 1837 C ILE A 122 0.457 13.877 10.251 1.00 61.52 C ATOM 1838 O ILE A 122 0.782 13.220 9.252 1.00 2.22 O ATOM 1839 CB ILE A 122 -1.852 12.767 10.136 1.00 22.41 C ATOM 1840 CG1 ILE A 122 -3.382 12.951 10.367 1.00 44.15 C ATOM 1841 CG2 ILE A 122 -1.370 11.435 10.773 1.00 52.12 C ATOM 1842 CD1 ILE A 122 -3.797 13.054 11.820 1.00 14.25 C ATOM 0 H ILE A 122 -2.118 15.218 9.369 1.00 2.01 H new ATOM 0 HA ILE A 122 -1.095 13.970 11.773 1.00 21.11 H new ATOM 0 HB ILE A 122 -1.679 12.723 9.061 1.00 22.41 H new ATOM 0 HG12 ILE A 122 -3.708 13.851 9.846 1.00 44.15 H new ATOM 0 HG13 ILE A 122 -3.907 12.111 9.912 1.00 44.15 H new ATOM 0 HG21 ILE A 122 -1.959 10.608 10.377 1.00 52.12 H new ATOM 0 HG22 ILE A 122 -0.318 11.278 10.535 1.00 52.12 H new ATOM 0 HG23 ILE A 122 -1.494 11.483 11.855 1.00 52.12 H new ATOM 0 HD11 ILE A 122 -4.878 13.180 11.882 1.00 14.25 H new ATOM 0 HD12 ILE A 122 -3.507 12.145 12.347 1.00 14.25 H new ATOM 0 HD13 ILE A 122 -3.305 13.911 12.279 1.00 14.25 H new ATOM 1854 N TYR A 123 1.343 14.565 10.975 1.00 50.12 N ATOM 1855 CA TYR A 123 2.771 14.590 10.635 1.00 52.13 C ATOM 1856 C TYR A 123 3.482 13.320 11.147 1.00 13.03 C ATOM 1857 O TYR A 123 3.150 12.791 12.219 1.00 62.53 O ATOM 1858 CB TYR A 123 3.450 15.885 11.174 1.00 63.12 C ATOM 1859 CG TYR A 123 3.443 16.074 12.710 1.00 61.44 C ATOM 1860 CD1 TYR A 123 4.456 15.532 13.507 1.00 73.04 C ATOM 1861 CD2 TYR A 123 2.437 16.805 13.354 1.00 64.13 C ATOM 1862 CE1 TYR A 123 4.466 15.706 14.873 1.00 42.23 C ATOM 1863 CE2 TYR A 123 2.445 16.979 14.727 1.00 43.23 C ATOM 1864 CZ TYR A 123 3.465 16.428 15.480 1.00 53.12 C ATOM 1865 OH TYR A 123 3.486 16.601 16.849 1.00 63.21 O ATOM 0 H TYR A 123 1.099 15.112 11.800 1.00 50.12 H new ATOM 0 HA TYR A 123 2.862 14.601 9.549 1.00 52.13 H new ATOM 0 HB2 TYR A 123 4.485 15.896 10.833 1.00 63.12 H new ATOM 0 HB3 TYR A 123 2.956 16.744 10.721 1.00 63.12 H new ATOM 0 HD1 TYR A 123 5.248 14.964 13.041 1.00 73.04 H new ATOM 0 HD2 TYR A 123 1.641 17.241 12.769 1.00 64.13 H new ATOM 0 HE1 TYR A 123 5.259 15.276 15.467 1.00 42.23 H new ATOM 0 HE2 TYR A 123 1.659 17.542 15.208 1.00 43.23 H new ATOM 0 HH TYR A 123 2.711 17.135 17.123 1.00 63.21 H new ATOM 1875 N LYS A 124 4.422 12.818 10.342 1.00 73.05 N ATOM 1876 CA LYS A 124 5.329 11.732 10.738 1.00 25.31 C ATOM 1877 C LYS A 124 6.209 12.199 11.925 1.00 1.44 C ATOM 1878 O LYS A 124 6.946 13.183 11.788 1.00 43.23 O ATOM 1879 CB LYS A 124 6.203 11.347 9.512 1.00 72.35 C ATOM 1880 CG LYS A 124 7.275 10.263 9.753 1.00 42.30 C ATOM 1881 CD LYS A 124 6.697 8.837 9.869 1.00 20.42 C ATOM 1882 CE LYS A 124 7.799 7.784 10.083 1.00 62.34 C ATOM 1883 NZ LYS A 124 8.849 7.842 9.024 1.00 73.44 N ATOM 0 H LYS A 124 4.578 13.154 9.392 1.00 73.05 H new ATOM 0 HA LYS A 124 4.763 10.858 11.060 1.00 25.31 H new ATOM 0 HB2 LYS A 124 5.543 11.005 8.715 1.00 72.35 H new ATOM 0 HB3 LYS A 124 6.701 12.247 9.150 1.00 72.35 H new ATOM 0 HG2 LYS A 124 7.996 10.288 8.936 1.00 42.30 H new ATOM 0 HG3 LYS A 124 7.821 10.500 10.666 1.00 42.30 H new ATOM 0 HD2 LYS A 124 5.992 8.798 10.699 1.00 20.42 H new ATOM 0 HD3 LYS A 124 6.138 8.598 8.965 1.00 20.42 H new ATOM 0 HE2 LYS A 124 8.261 7.937 11.058 1.00 62.34 H new ATOM 0 HE3 LYS A 124 7.352 6.790 10.095 1.00 62.34 H new ATOM 0 HZ1 LYS A 124 9.494 7.033 9.130 1.00 73.44 H new ATOM 0 HZ2 LYS A 124 8.399 7.806 8.087 1.00 73.44 H new ATOM 0 HZ3 LYS A 124 9.386 8.728 9.116 1.00 73.44 H new