USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1082 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Set 2.1: A 19 MET CE :methyl -128:sc= 0 (180deg=-0.421) USER MOD Set 2.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 LYS NZ :NH3+ -153:sc= 0.771 (180deg=-0.0514) USER MOD Set 3.2: A 56 SER OG : rot 180:sc= 0.689 USER MOD Set 4.1: A 8 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Set 4.2: A 36 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0019) USER MOD Set 5.1: A 2 SER OG : rot -112:sc= 0.0263 USER MOD Set 5.2: A 4 SER OG : rot 36:sc= 0.196 USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00445) USER MOD Single : A 6 LYS NZ :NH3+ -153:sc= 1.23 (180deg=1.08) USER MOD Single : A 7 TYR OH : rot 179:sc= 0.394 USER MOD Single : A -2 HIS : no HE2:sc= 0.00936 X(o=0.0094,f=-0.48) USER MOD Single : A -3 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-1.9!) USER MOD Single : A -4 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A -6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A -7 HIS N :NH3+ 142:sc= 0.0716 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.355 X(o=0.35,f=0) USER MOD Single : A 11 SER OG : rot 36:sc= 0.187 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0.516 K(o=0.52,f=-0.74) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0498) USER MOD Single : A 30 GLN : amide:sc= 0.148 X(o=0.15,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00426) USER MOD Single : A 47 HIS : no HE2:sc= 0.489 K(o=0.49,f=-2!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 57 LYS NZ :NH3+ -149:sc= 0.839 (180deg=0.348) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.508 K(o=-0.51,f=-2.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 CYS SG : rot 29:sc= -0.0904 USER MOD Single : A 73 THR OG1 : rot 82:sc= 0.127 USER MOD Single : A 75 THR OG1 : rot -139:sc= 0.012 USER MOD Single : A 78 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.08) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 168:sc= 1.14 USER MOD Single : A 84 GLN : amide:sc= -0.532 X(o=-0.53,f=-0.14) USER MOD Single : A 89 ASN : amide:sc= -0.0384 X(o=-0.038,f=0.013) USER MOD Single : A 90 LYS NZ :NH3+ -154:sc= 0.0852 (180deg=0.00425) USER MOD Single : A 93 THR OG1 : rot 74:sc= 0.519 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.00616 K(o=-0.0062,f=-1.5) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 110 THR OG1 : rot 126:sc= 0.114 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 174:sc= 0 (180deg=-0.047) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -175:sc= 0.267 (180deg=0.226) USER MOD Single : A 124 SER OG : rot 180:sc=-0.00723 USER MOD Single : A 125 LYS NZ :NH3+ -153:sc= 1 (180deg=0.598) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -7 13.807 -22.464 -7.521 1.00 21.13 N ATOM 2 CA HIS A -7 13.107 -23.520 -6.719 1.00 50.05 C ATOM 3 C HIS A -7 11.721 -22.893 -6.429 1.00 12.24 C ATOM 4 O HIS A -7 11.629 -21.722 -6.048 1.00 44.41 O ATOM 5 CB HIS A -7 13.869 -23.875 -5.421 1.00 43.24 C ATOM 6 CG HIS A -7 13.312 -25.057 -4.663 1.00 50.05 C ATOM 7 ND1 HIS A -7 13.257 -26.331 -5.205 1.00 22.34 N ATOM 8 CD2 HIS A -7 12.776 -25.172 -3.397 1.00 44.12 C ATOM 9 CE1 HIS A -7 12.712 -27.130 -4.285 1.00 43.51 C ATOM 10 NE2 HIS A -7 12.395 -26.496 -3.162 1.00 41.52 N ATOM 0 H1 HIS A -7 14.810 -22.429 -7.248 1.00 21.13 H new ATOM 0 H2 HIS A -7 13.731 -22.690 -8.533 1.00 21.13 H new ATOM 0 H3 HIS A -7 13.366 -21.540 -7.339 1.00 21.13 H new ATOM 0 HA HIS A -7 13.037 -24.469 -7.250 1.00 50.05 H new ATOM 0 HB2 HIS A -7 14.910 -24.080 -5.672 1.00 43.24 H new ATOM 0 HB3 HIS A -7 13.865 -23.005 -4.764 1.00 43.24 H new ATOM 0 HD2 HIS A -7 12.667 -24.360 -2.693 1.00 44.12 H new ATOM 0 HE1 HIS A -7 12.546 -28.186 -4.439 1.00 43.51 H new ATOM 0 HE2 HIS A -7 11.971 -26.886 -2.320 1.00 41.52 H new ATOM 18 N HIS A -6 10.700 -23.764 -6.357 1.00 75.54 N ATOM 19 CA HIS A -6 9.323 -23.436 -5.972 1.00 24.24 C ATOM 20 C HIS A -6 8.964 -24.197 -4.689 1.00 55.13 C ATOM 21 O HIS A -6 9.493 -25.286 -4.454 1.00 41.10 O ATOM 22 CB HIS A -6 8.379 -23.800 -7.136 1.00 65.50 C ATOM 23 CG HIS A -6 8.809 -23.236 -8.468 1.00 45.11 C ATOM 24 ND1 HIS A -6 8.815 -21.878 -8.747 1.00 42.44 N ATOM 25 CD2 HIS A -6 9.297 -23.848 -9.602 1.00 31.02 C ATOM 26 CE1 HIS A -6 9.295 -21.733 -9.986 1.00 14.24 C ATOM 27 NE2 HIS A -6 9.616 -22.886 -10.562 1.00 3.00 N ATOM 0 H HIS A -6 10.819 -24.753 -6.574 1.00 75.54 H new ATOM 0 HA HIS A -6 9.220 -22.370 -5.770 1.00 24.24 H new ATOM 0 HB2 HIS A -6 8.316 -24.885 -7.215 1.00 65.50 H new ATOM 0 HB3 HIS A -6 7.377 -23.439 -6.905 1.00 65.50 H new ATOM 0 HD2 HIS A -6 9.415 -24.914 -9.729 1.00 31.02 H new ATOM 0 HE1 HIS A -6 9.410 -20.775 -10.470 1.00 14.24 H new ATOM 0 HE2 HIS A -6 10.006 -23.035 -11.493 1.00 3.00 H new ATOM 35 N HIS A -5 8.102 -23.587 -3.862 1.00 22.14 N ATOM 36 CA HIS A -5 7.846 -24.020 -2.488 1.00 60.41 C ATOM 37 C HIS A -5 6.491 -23.470 -2.019 1.00 3.35 C ATOM 38 O HIS A -5 6.441 -22.465 -1.311 1.00 20.35 O ATOM 39 CB HIS A -5 9.037 -23.628 -1.567 1.00 1.11 C ATOM 40 CG HIS A -5 9.567 -22.217 -1.722 1.00 33.10 C ATOM 41 ND1 HIS A -5 10.499 -21.864 -2.688 1.00 64.31 N ATOM 42 CD2 HIS A -5 9.306 -21.058 -1.025 1.00 1.15 C ATOM 43 CE1 HIS A -5 10.728 -20.555 -2.557 1.00 61.44 C ATOM 44 NE2 HIS A -5 10.037 -20.000 -1.569 1.00 42.43 N ATOM 0 H HIS A -5 7.558 -22.769 -4.136 1.00 22.14 H new ATOM 0 HA HIS A -5 7.776 -25.107 -2.438 1.00 60.41 H new ATOM 0 HB2 HIS A -5 8.728 -23.766 -0.531 1.00 1.11 H new ATOM 0 HB3 HIS A -5 9.856 -24.324 -1.751 1.00 1.11 H new ATOM 0 HD2 HIS A -5 8.635 -20.979 -0.182 1.00 1.15 H new ATOM 0 HE1 HIS A -5 11.407 -20.004 -3.191 1.00 61.44 H new ATOM 0 HE2 HIS A -5 10.039 -19.023 -1.274 1.00 42.43 H new ATOM 52 N HIS A -4 5.409 -24.144 -2.440 1.00 23.42 N ATOM 53 CA HIS A -4 4.029 -23.774 -2.118 1.00 64.23 C ATOM 54 C HIS A -4 3.126 -25.014 -2.029 1.00 70.33 C ATOM 55 O HIS A -4 3.447 -26.063 -2.590 1.00 61.43 O ATOM 56 CB HIS A -4 3.505 -22.714 -3.118 1.00 61.11 C ATOM 57 CG HIS A -4 3.749 -22.995 -4.582 1.00 51.40 C ATOM 58 ND1 HIS A -4 3.118 -24.012 -5.278 1.00 43.21 N ATOM 59 CD2 HIS A -4 4.569 -22.373 -5.498 1.00 12.12 C ATOM 60 CE1 HIS A -4 3.564 -23.964 -6.535 1.00 24.10 C ATOM 61 NE2 HIS A -4 4.446 -22.994 -6.744 1.00 54.41 N ATOM 0 H HIS A -4 5.474 -24.977 -3.025 1.00 23.42 H new ATOM 0 HA HIS A -4 4.009 -23.315 -1.130 1.00 64.23 H new ATOM 0 HB2 HIS A -4 2.432 -22.602 -2.966 1.00 61.11 H new ATOM 0 HB3 HIS A -4 3.964 -21.756 -2.873 1.00 61.11 H new ATOM 0 HD2 HIS A -4 5.211 -21.531 -5.285 1.00 12.12 H new ATOM 0 HE1 HIS A -4 3.239 -24.647 -7.306 1.00 24.10 H new ATOM 0 HE2 HIS A -4 4.924 -22.757 -7.613 1.00 54.41 H new ATOM 69 N HIS A -3 2.012 -24.847 -1.302 1.00 61.24 N ATOM 70 CA HIS A -3 1.032 -25.877 -0.961 1.00 12.33 C ATOM 71 C HIS A -3 -0.238 -25.693 -1.811 1.00 34.40 C ATOM 72 O HIS A -3 -0.515 -26.522 -2.677 1.00 33.02 O ATOM 73 CB HIS A -3 0.763 -25.819 0.567 1.00 62.21 C ATOM 74 CG HIS A -3 0.363 -24.465 1.125 1.00 50.41 C ATOM 75 ND1 HIS A -3 -0.910 -24.197 1.603 1.00 74.24 N ATOM 76 CD2 HIS A -3 1.058 -23.281 1.257 1.00 21.12 C ATOM 77 CE1 HIS A -3 -0.936 -22.910 1.959 1.00 64.04 C ATOM 78 NE2 HIS A -3 0.220 -22.290 1.770 1.00 43.44 N ATOM 0 H HIS A -3 1.761 -23.937 -0.917 1.00 61.24 H new ATOM 0 HA HIS A -3 1.411 -26.873 -1.191 1.00 12.33 H new ATOM 0 HB2 HIS A -3 -0.025 -26.534 0.804 1.00 62.21 H new ATOM 0 HB3 HIS A -3 1.662 -26.152 1.086 1.00 62.21 H new ATOM 0 HD2 HIS A -3 2.098 -23.141 1.001 1.00 21.12 H new ATOM 0 HE1 HIS A -3 -1.812 -22.423 2.361 1.00 64.04 H new ATOM 0 HE2 HIS A -3 0.445 -21.313 1.957 1.00 43.44 H new ATOM 86 N HIS A -2 -0.951 -24.582 -1.576 1.00 42.02 N ATOM 87 CA HIS A -2 -2.082 -24.095 -2.350 1.00 4.43 C ATOM 88 C HIS A -2 -2.094 -22.575 -2.179 1.00 54.24 C ATOM 89 O HIS A -2 -2.798 -22.056 -1.312 1.00 62.12 O ATOM 90 CB HIS A -2 -3.403 -24.786 -1.932 1.00 61.50 C ATOM 91 CG HIS A -2 -4.627 -24.315 -2.692 1.00 43.25 C ATOM 92 ND1 HIS A -2 -5.307 -23.147 -2.385 1.00 14.32 N ATOM 93 CD2 HIS A -2 -5.305 -24.857 -3.762 1.00 60.40 C ATOM 94 CE1 HIS A -2 -6.309 -23.022 -3.257 1.00 50.44 C ATOM 95 NE2 HIS A -2 -6.370 -24.026 -4.124 1.00 24.23 N ATOM 0 H HIS A -2 -0.733 -23.968 -0.791 1.00 42.02 H new ATOM 0 HA HIS A -2 -1.985 -24.341 -3.407 1.00 4.43 H new ATOM 0 HB2 HIS A -2 -3.296 -25.862 -2.072 1.00 61.50 H new ATOM 0 HB3 HIS A -2 -3.565 -24.618 -0.867 1.00 61.50 H new ATOM 0 HD1 HIS A -2 -5.082 -22.500 -1.629 1.00 14.32 H new ATOM 0 HD2 HIS A -2 -5.051 -25.787 -4.249 1.00 60.40 H new ATOM 0 HE1 HIS A -2 -6.999 -22.191 -3.258 1.00 50.44 H new ATOM 103 N VAL A -1 -1.292 -21.905 -3.016 1.00 15.23 N ATOM 104 CA VAL A -1 -1.268 -20.456 -3.178 1.00 20.31 C ATOM 105 C VAL A -1 -0.715 -20.096 -4.565 1.00 21.12 C ATOM 106 O VAL A -1 -1.348 -19.306 -5.264 1.00 31.13 O ATOM 107 CB VAL A -1 -0.456 -19.672 -2.088 1.00 12.52 C ATOM 108 CG1 VAL A -1 -1.225 -19.471 -0.771 1.00 3.12 C ATOM 109 CG2 VAL A -1 0.959 -20.217 -1.793 1.00 64.25 C ATOM 0 H VAL A -1 -0.620 -22.380 -3.618 1.00 15.23 H new ATOM 0 HA VAL A -1 -2.306 -20.143 -3.061 1.00 20.31 H new ATOM 0 HB VAL A -1 -0.319 -18.700 -2.563 1.00 12.52 H new ATOM 0 HG11 VAL A -1 -0.601 -18.922 -0.066 1.00 3.12 H new ATOM 0 HG12 VAL A -1 -2.137 -18.907 -0.965 1.00 3.12 H new ATOM 0 HG13 VAL A -1 -1.482 -20.442 -0.348 1.00 3.12 H new ATOM 0 HG21 VAL A -1 1.433 -19.604 -1.026 1.00 64.25 H new ATOM 0 HG22 VAL A -1 0.886 -21.246 -1.441 1.00 64.25 H new ATOM 0 HG23 VAL A -1 1.558 -20.186 -2.703 1.00 64.25 H new ATOM 119 N ALA A 0 0.473 -20.637 -4.905 1.00 75.33 N ATOM 120 CA ALA A 0 1.389 -20.165 -5.955 1.00 13.51 C ATOM 121 C ALA A 0 1.894 -18.727 -5.688 1.00 44.21 C ATOM 122 O ALA A 0 1.349 -18.023 -4.837 1.00 65.44 O ATOM 123 CB ALA A 0 0.756 -20.307 -7.354 1.00 22.50 C ATOM 0 H ALA A 0 0.836 -21.461 -4.425 1.00 75.33 H new ATOM 0 HA ALA A 0 2.269 -20.808 -5.929 1.00 13.51 H new ATOM 0 HB1 ALA A 0 1.457 -19.950 -8.108 1.00 22.50 H new ATOM 0 HB2 ALA A 0 0.522 -21.355 -7.543 1.00 22.50 H new ATOM 0 HB3 ALA A 0 -0.159 -19.717 -7.401 1.00 22.50 H new ATOM 129 N MET A 1 2.952 -18.316 -6.410 1.00 24.02 N ATOM 130 CA MET A 1 3.578 -16.982 -6.323 1.00 5.22 C ATOM 131 C MET A 1 4.187 -16.651 -4.937 1.00 65.13 C ATOM 132 O MET A 1 4.092 -17.437 -3.994 1.00 4.04 O ATOM 133 CB MET A 1 2.580 -15.881 -6.793 1.00 54.13 C ATOM 134 CG MET A 1 2.252 -15.934 -8.295 1.00 75.42 C ATOM 135 SD MET A 1 2.921 -14.550 -9.264 1.00 35.22 S ATOM 136 CE MET A 1 4.700 -14.759 -8.988 1.00 62.22 C ATOM 0 H MET A 1 3.410 -18.921 -7.092 1.00 24.02 H new ATOM 0 HA MET A 1 4.431 -17.003 -7.001 1.00 5.22 H new ATOM 0 HB2 MET A 1 1.654 -15.978 -6.226 1.00 54.13 H new ATOM 0 HB3 MET A 1 2.997 -14.902 -6.557 1.00 54.13 H new ATOM 0 HG2 MET A 1 2.638 -16.867 -8.705 1.00 75.42 H new ATOM 0 HG3 MET A 1 1.169 -15.956 -8.417 1.00 75.42 H new ATOM 0 HE1 MET A 1 5.247 -14.002 -9.550 1.00 62.22 H new ATOM 0 HE2 MET A 1 4.919 -14.651 -7.926 1.00 62.22 H new ATOM 0 HE3 MET A 1 5.006 -15.750 -9.322 1.00 62.22 H new ATOM 146 N SER A 2 4.808 -15.466 -4.857 1.00 51.31 N ATOM 147 CA SER A 2 5.283 -14.816 -3.639 1.00 70.03 C ATOM 148 C SER A 2 5.693 -13.384 -4.005 1.00 64.11 C ATOM 149 O SER A 2 6.278 -13.171 -5.067 1.00 21.45 O ATOM 150 CB SER A 2 6.447 -15.595 -2.984 1.00 61.24 C ATOM 151 OG SER A 2 6.862 -14.975 -1.782 1.00 64.31 O ATOM 0 H SER A 2 5.000 -14.909 -5.689 1.00 51.31 H new ATOM 0 HA SER A 2 4.487 -14.798 -2.895 1.00 70.03 H new ATOM 0 HB2 SER A 2 6.134 -16.619 -2.779 1.00 61.24 H new ATOM 0 HB3 SER A 2 7.287 -15.651 -3.677 1.00 61.24 H new ATOM 0 HG SER A 2 7.761 -14.603 -1.899 1.00 64.31 H new ATOM 157 N PHE A 3 5.392 -12.439 -3.103 1.00 51.23 N ATOM 158 CA PHE A 3 5.672 -11.008 -3.261 1.00 34.33 C ATOM 159 C PHE A 3 7.087 -10.593 -2.804 1.00 42.54 C ATOM 160 O PHE A 3 7.394 -9.402 -2.857 1.00 61.34 O ATOM 161 CB PHE A 3 4.568 -10.194 -2.549 1.00 42.50 C ATOM 162 CG PHE A 3 3.192 -10.227 -3.199 1.00 12.51 C ATOM 163 CD1 PHE A 3 2.715 -9.112 -3.920 1.00 54.13 C ATOM 164 CD2 PHE A 3 2.405 -11.398 -3.159 1.00 61.21 C ATOM 165 CE1 PHE A 3 1.466 -9.159 -4.532 1.00 50.13 C ATOM 166 CE2 PHE A 3 1.169 -11.431 -3.791 1.00 20.11 C ATOM 167 CZ PHE A 3 0.698 -10.314 -4.464 1.00 13.10 C ATOM 0 H PHE A 3 4.934 -12.657 -2.218 1.00 51.23 H new ATOM 0 HA PHE A 3 5.658 -10.786 -4.328 1.00 34.33 H new ATOM 0 HB2 PHE A 3 4.474 -10.562 -1.527 1.00 42.50 H new ATOM 0 HB3 PHE A 3 4.893 -9.156 -2.485 1.00 42.50 H new ATOM 0 HD1 PHE A 3 3.320 -8.221 -3.997 1.00 54.13 H new ATOM 0 HD2 PHE A 3 2.765 -12.271 -2.635 1.00 61.21 H new ATOM 0 HE1 PHE A 3 1.093 -8.295 -5.061 1.00 50.13 H new ATOM 0 HE2 PHE A 3 0.572 -12.330 -3.758 1.00 20.11 H new ATOM 0 HZ PHE A 3 -0.272 -10.342 -4.938 1.00 13.10 H new ATOM 177 N SER A 4 7.922 -11.559 -2.379 1.00 10.11 N ATOM 178 CA SER A 4 9.299 -11.374 -1.911 1.00 51.31 C ATOM 179 C SER A 4 10.255 -10.766 -2.961 1.00 52.21 C ATOM 180 O SER A 4 10.606 -11.435 -3.933 1.00 3.23 O ATOM 181 CB SER A 4 9.797 -12.700 -1.294 1.00 73.10 C ATOM 182 OG SER A 4 9.885 -13.742 -2.244 1.00 35.45 O ATOM 0 H SER A 4 7.635 -12.538 -2.353 1.00 10.11 H new ATOM 0 HA SER A 4 9.296 -10.609 -1.135 1.00 51.31 H new ATOM 0 HB2 SER A 4 10.776 -12.541 -0.843 1.00 73.10 H new ATOM 0 HB3 SER A 4 9.122 -13.000 -0.493 1.00 73.10 H new ATOM 0 HG SER A 4 10.175 -13.376 -3.106 1.00 35.45 H new ATOM 188 N GLY A 5 10.666 -9.509 -2.719 1.00 0.50 N ATOM 189 CA GLY A 5 11.601 -8.772 -3.566 1.00 50.05 C ATOM 190 C GLY A 5 11.687 -7.307 -3.107 1.00 70.14 C ATOM 191 O GLY A 5 10.873 -6.842 -2.306 1.00 2.24 O ATOM 0 H GLY A 5 10.347 -8.973 -1.912 1.00 0.50 H new ATOM 0 HA2 GLY A 5 12.587 -9.234 -3.520 1.00 50.05 H new ATOM 0 HA3 GLY A 5 11.276 -8.817 -4.605 1.00 50.05 H new ATOM 195 N LYS A 6 12.674 -6.576 -3.655 1.00 53.11 N ATOM 196 CA LYS A 6 12.860 -5.132 -3.479 1.00 33.32 C ATOM 197 C LYS A 6 12.765 -4.455 -4.857 1.00 2.31 C ATOM 198 O LYS A 6 13.238 -5.013 -5.845 1.00 51.24 O ATOM 199 CB LYS A 6 14.227 -4.853 -2.816 1.00 34.34 C ATOM 200 CG LYS A 6 14.424 -3.387 -2.366 1.00 41.11 C ATOM 201 CD LYS A 6 15.891 -2.940 -2.306 1.00 73.43 C ATOM 202 CE LYS A 6 16.768 -3.683 -1.287 1.00 73.45 C ATOM 203 NZ LYS A 6 16.378 -3.396 0.104 1.00 41.11 N1+ ATOM 0 H LYS A 6 13.387 -6.993 -4.253 1.00 53.11 H new ATOM 0 HA LYS A 6 12.086 -4.727 -2.827 1.00 33.32 H new ATOM 0 HB2 LYS A 6 14.338 -5.505 -1.950 1.00 34.34 H new ATOM 0 HB3 LYS A 6 15.019 -5.116 -3.517 1.00 34.34 H new ATOM 0 HG2 LYS A 6 13.884 -2.733 -3.050 1.00 41.11 H new ATOM 0 HG3 LYS A 6 13.976 -3.258 -1.381 1.00 41.11 H new ATOM 0 HD2 LYS A 6 16.331 -3.063 -3.296 1.00 73.43 H new ATOM 0 HD3 LYS A 6 15.919 -1.875 -2.075 1.00 73.43 H new ATOM 0 HE2 LYS A 6 16.700 -4.756 -1.467 1.00 73.45 H new ATOM 0 HE3 LYS A 6 17.810 -3.401 -1.435 1.00 73.45 H new ATOM 0 HZ1 LYS A 6 17.203 -3.511 0.727 1.00 41.11 H new ATOM 0 HZ2 LYS A 6 16.027 -2.419 0.172 1.00 41.11 H new ATOM 0 HZ3 LYS A 6 15.628 -4.054 0.397 1.00 41.11 H new ATOM 217 N TYR A 7 12.143 -3.270 -4.884 1.00 32.11 N ATOM 218 CA TYR A 7 11.722 -2.543 -6.079 1.00 30.14 C ATOM 219 C TYR A 7 12.048 -1.044 -5.943 1.00 32.15 C ATOM 220 O TYR A 7 12.212 -0.543 -4.834 1.00 20.05 O ATOM 221 CB TYR A 7 10.203 -2.753 -6.297 1.00 54.11 C ATOM 222 CG TYR A 7 9.667 -4.155 -6.035 1.00 71.04 C ATOM 223 CD1 TYR A 7 9.660 -5.125 -7.058 1.00 22.53 C ATOM 224 CD2 TYR A 7 9.201 -4.503 -4.748 1.00 32.01 C ATOM 225 CE1 TYR A 7 9.232 -6.440 -6.790 1.00 51.11 C ATOM 226 CE2 TYR A 7 8.765 -5.814 -4.482 1.00 13.51 C ATOM 227 CZ TYR A 7 8.793 -6.787 -5.499 1.00 23.13 C ATOM 228 OH TYR A 7 8.390 -8.065 -5.242 1.00 1.12 O ATOM 0 H TYR A 7 11.910 -2.770 -4.026 1.00 32.11 H new ATOM 0 HA TYR A 7 12.265 -2.927 -6.943 1.00 30.14 H new ATOM 0 HB2 TYR A 7 9.666 -2.056 -5.653 1.00 54.11 H new ATOM 0 HB3 TYR A 7 9.965 -2.483 -7.326 1.00 54.11 H new ATOM 0 HD1 TYR A 7 9.985 -4.858 -8.053 1.00 22.53 H new ATOM 0 HD2 TYR A 7 9.179 -3.760 -3.965 1.00 32.01 H new ATOM 0 HE1 TYR A 7 9.241 -7.182 -7.575 1.00 51.11 H new ATOM 0 HE2 TYR A 7 8.408 -6.074 -3.496 1.00 13.51 H new ATOM 0 HH TYR A 7 8.133 -8.144 -4.299 1.00 1.12 H new ATOM 238 N GLN A 8 12.123 -0.350 -7.084 1.00 12.25 N ATOM 239 CA GLN A 8 12.318 1.096 -7.182 1.00 23.23 C ATOM 240 C GLN A 8 11.130 1.690 -7.947 1.00 74.20 C ATOM 241 O GLN A 8 10.651 1.067 -8.895 1.00 23.14 O ATOM 242 CB GLN A 8 13.664 1.379 -7.885 1.00 44.44 C ATOM 243 CG GLN A 8 13.722 0.987 -9.380 1.00 54.44 C ATOM 244 CD GLN A 8 15.136 0.676 -9.862 1.00 43.43 C ATOM 245 OE1 GLN A 8 16.024 1.520 -9.768 1.00 25.13 O ATOM 246 NE2 GLN A 8 15.346 -0.532 -10.394 1.00 32.20 N ATOM 0 H GLN A 8 12.046 -0.799 -7.997 1.00 12.25 H new ATOM 0 HA GLN A 8 12.359 1.560 -6.197 1.00 23.23 H new ATOM 0 HB2 GLN A 8 13.885 2.443 -7.796 1.00 44.44 H new ATOM 0 HB3 GLN A 8 14.452 0.844 -7.355 1.00 44.44 H new ATOM 0 HG2 GLN A 8 13.088 0.116 -9.546 1.00 54.44 H new ATOM 0 HG3 GLN A 8 13.311 1.800 -9.979 1.00 54.44 H new ATOM 0 HE21 GLN A 8 14.580 -1.203 -10.453 1.00 32.20 H new ATOM 0 HE22 GLN A 8 16.272 -0.782 -10.741 1.00 32.20 H new ATOM 255 N LEU A 9 10.694 2.892 -7.540 1.00 12.01 N ATOM 256 CA LEU A 9 9.641 3.669 -8.201 1.00 44.41 C ATOM 257 C LEU A 9 10.025 4.027 -9.653 1.00 23.42 C ATOM 258 O LEU A 9 11.186 4.332 -9.919 1.00 10.44 O ATOM 259 CB LEU A 9 9.318 4.897 -7.310 1.00 53.02 C ATOM 260 CG LEU A 9 8.378 5.973 -7.897 1.00 23.31 C ATOM 261 CD1 LEU A 9 7.021 5.379 -8.310 1.00 2.25 C ATOM 262 CD2 LEU A 9 8.215 7.163 -6.925 1.00 32.31 C ATOM 0 H LEU A 9 11.077 3.361 -6.719 1.00 12.01 H new ATOM 0 HA LEU A 9 8.731 3.077 -8.303 1.00 44.41 H new ATOM 0 HB2 LEU A 9 8.876 4.533 -6.382 1.00 53.02 H new ATOM 0 HB3 LEU A 9 10.259 5.379 -7.047 1.00 53.02 H new ATOM 0 HG LEU A 9 8.843 6.356 -8.805 1.00 23.31 H new ATOM 0 HD11 LEU A 9 6.388 6.167 -8.718 1.00 2.25 H new ATOM 0 HD12 LEU A 9 7.176 4.610 -9.066 1.00 2.25 H new ATOM 0 HD13 LEU A 9 6.536 4.939 -7.439 1.00 2.25 H new ATOM 0 HD21 LEU A 9 7.548 7.904 -7.366 1.00 32.31 H new ATOM 0 HD22 LEU A 9 7.793 6.809 -5.984 1.00 32.31 H new ATOM 0 HD23 LEU A 9 9.188 7.616 -6.739 1.00 32.31 H new ATOM 274 N GLN A 10 9.046 3.942 -10.564 1.00 4.02 N ATOM 275 CA GLN A 10 9.220 4.182 -11.998 1.00 40.12 C ATOM 276 C GLN A 10 8.281 5.290 -12.497 1.00 25.41 C ATOM 277 O GLN A 10 8.731 6.145 -13.258 1.00 51.02 O ATOM 278 CB GLN A 10 8.979 2.868 -12.779 1.00 23.21 C ATOM 279 CG GLN A 10 9.958 1.719 -12.460 1.00 11.14 C ATOM 280 CD GLN A 10 11.371 1.935 -13.006 1.00 73.23 C ATOM 281 OE1 GLN A 10 11.707 1.433 -14.076 1.00 22.21 O ATOM 282 NE2 GLN A 10 12.213 2.664 -12.270 1.00 4.53 N ATOM 0 H GLN A 10 8.088 3.698 -10.315 1.00 4.02 H new ATOM 0 HA GLN A 10 10.242 4.518 -12.171 1.00 40.12 H new ATOM 0 HB2 GLN A 10 7.965 2.525 -12.575 1.00 23.21 H new ATOM 0 HB3 GLN A 10 9.034 3.084 -13.846 1.00 23.21 H new ATOM 0 HG2 GLN A 10 10.013 1.592 -11.379 1.00 11.14 H new ATOM 0 HG3 GLN A 10 9.559 0.791 -12.870 1.00 11.14 H new ATOM 0 HE21 GLN A 10 11.901 3.066 -11.386 1.00 4.53 H new ATOM 0 HE22 GLN A 10 13.169 2.819 -12.591 1.00 4.53 H new ATOM 291 N SER A 11 7.007 5.261 -12.070 1.00 2.22 N ATOM 292 CA SER A 11 5.975 6.208 -12.491 1.00 31.44 C ATOM 293 C SER A 11 4.857 6.318 -11.444 1.00 60.01 C ATOM 294 O SER A 11 4.647 5.388 -10.668 1.00 44.20 O ATOM 295 CB SER A 11 5.418 5.792 -13.872 1.00 33.23 C ATOM 296 OG SER A 11 6.157 6.410 -14.906 1.00 42.42 O ATOM 0 H SER A 11 6.665 4.563 -11.410 1.00 2.22 H new ATOM 0 HA SER A 11 6.423 7.198 -12.581 1.00 31.44 H new ATOM 0 HB2 SER A 11 5.466 4.708 -13.979 1.00 33.23 H new ATOM 0 HB3 SER A 11 4.368 6.074 -13.948 1.00 33.23 H new ATOM 0 HG SER A 11 7.099 6.472 -14.643 1.00 42.42 H new ATOM 302 N GLN A 12 4.149 7.459 -11.458 1.00 33.41 N ATOM 303 CA GLN A 12 3.002 7.748 -10.597 1.00 74.33 C ATOM 304 C GLN A 12 1.882 8.379 -11.437 1.00 1.03 C ATOM 305 O GLN A 12 2.164 9.010 -12.456 1.00 32.25 O ATOM 306 CB GLN A 12 3.415 8.713 -9.460 1.00 61.21 C ATOM 307 CG GLN A 12 4.591 8.206 -8.611 1.00 23.43 C ATOM 308 CD GLN A 12 4.809 9.019 -7.336 1.00 73.02 C ATOM 309 OE1 GLN A 12 4.456 8.573 -6.248 1.00 23.32 O ATOM 310 NE2 GLN A 12 5.405 10.207 -7.461 1.00 11.21 N ATOM 0 H GLN A 12 4.370 8.227 -12.091 1.00 33.41 H new ATOM 0 HA GLN A 12 2.645 6.819 -10.152 1.00 74.33 H new ATOM 0 HB2 GLN A 12 3.681 9.677 -9.893 1.00 61.21 H new ATOM 0 HB3 GLN A 12 2.556 8.882 -8.810 1.00 61.21 H new ATOM 0 HG2 GLN A 12 4.415 7.164 -8.344 1.00 23.43 H new ATOM 0 HG3 GLN A 12 5.501 8.232 -9.210 1.00 23.43 H new ATOM 0 HE21 GLN A 12 5.684 10.543 -8.383 1.00 11.21 H new ATOM 0 HE22 GLN A 12 5.582 10.778 -6.635 1.00 11.21 H new ATOM 319 N GLU A 13 0.636 8.233 -10.961 1.00 43.44 N ATOM 320 CA GLU A 13 -0.549 8.901 -11.506 1.00 42.23 C ATOM 321 C GLU A 13 -1.326 9.532 -10.342 1.00 20.52 C ATOM 322 O GLU A 13 -1.387 8.932 -9.268 1.00 74.05 O ATOM 323 CB GLU A 13 -1.475 7.888 -12.202 1.00 15.01 C ATOM 324 CG GLU A 13 -0.838 7.017 -13.303 1.00 12.24 C ATOM 325 CD GLU A 13 -1.847 6.009 -13.856 1.00 45.31 C ATOM 326 OE1 GLU A 13 -2.878 6.458 -14.404 1.00 24.51 O ATOM 327 OE2 GLU A 13 -1.605 4.795 -13.680 1.00 1.35 O1- ATOM 0 H GLU A 13 0.422 7.631 -10.166 1.00 43.44 H new ATOM 0 HA GLU A 13 -0.230 9.651 -12.229 1.00 42.23 H new ATOM 0 HB2 GLU A 13 -1.890 7.227 -11.441 1.00 15.01 H new ATOM 0 HB3 GLU A 13 -2.310 8.434 -12.640 1.00 15.01 H new ATOM 0 HG2 GLU A 13 -0.474 7.653 -14.110 1.00 12.24 H new ATOM 0 HG3 GLU A 13 0.026 6.489 -12.900 1.00 12.24 H new ATOM 334 N ASN A 14 -1.934 10.709 -10.589 1.00 43.13 N ATOM 335 CA ASN A 14 -2.758 11.480 -9.638 1.00 52.34 C ATOM 336 C ASN A 14 -2.031 11.854 -8.328 1.00 34.24 C ATOM 337 O ASN A 14 -2.707 12.122 -7.337 1.00 23.21 O ATOM 338 CB ASN A 14 -4.118 10.749 -9.386 1.00 31.51 C ATOM 339 CG ASN A 14 -5.283 11.252 -10.243 1.00 12.42 C ATOM 340 OD1 ASN A 14 -5.396 12.446 -10.519 1.00 10.54 O ATOM 341 ND2 ASN A 14 -6.196 10.355 -10.613 1.00 73.45 N ATOM 0 H ASN A 14 -1.861 11.168 -11.497 1.00 43.13 H new ATOM 0 HA ASN A 14 -2.964 12.442 -10.108 1.00 52.34 H new ATOM 0 HB2 ASN A 14 -3.982 9.684 -9.571 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -4.384 10.858 -8.335 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -7.017 10.651 -11.140 1.00 73.45 H new ATOM 0 HD22 ASN A 14 -6.074 9.372 -10.369 1.00 73.45 H new ATOM 348 N PHE A 15 -0.683 11.887 -8.333 1.00 24.15 N ATOM 349 CA PHE A 15 0.144 12.152 -7.156 1.00 23.43 C ATOM 350 C PHE A 15 -0.183 13.484 -6.466 1.00 74.11 C ATOM 351 O PHE A 15 -0.569 13.465 -5.300 1.00 1.01 O ATOM 352 CB PHE A 15 1.647 11.994 -7.490 1.00 2.23 C ATOM 353 CG PHE A 15 2.594 12.289 -6.337 1.00 74.31 C ATOM 354 CD1 PHE A 15 3.020 13.610 -6.089 1.00 60.44 C ATOM 355 CD2 PHE A 15 2.902 11.289 -5.388 1.00 63.41 C ATOM 356 CE1 PHE A 15 3.763 13.900 -4.957 1.00 62.11 C ATOM 357 CE2 PHE A 15 3.675 11.594 -4.278 1.00 71.40 C ATOM 358 CZ PHE A 15 4.099 12.897 -4.059 1.00 21.22 C ATOM 0 H PHE A 15 -0.135 11.726 -9.178 1.00 24.15 H new ATOM 0 HA PHE A 15 -0.106 11.393 -6.414 1.00 23.43 H new ATOM 0 HB2 PHE A 15 1.823 10.975 -7.833 1.00 2.23 H new ATOM 0 HB3 PHE A 15 1.891 12.657 -8.320 1.00 2.23 H new ATOM 0 HD1 PHE A 15 2.766 14.397 -6.783 1.00 60.44 H new ATOM 0 HD2 PHE A 15 2.534 10.283 -5.528 1.00 63.41 H new ATOM 0 HE1 PHE A 15 4.083 14.915 -4.772 1.00 62.11 H new ATOM 0 HE2 PHE A 15 3.948 10.815 -3.582 1.00 71.40 H new ATOM 0 HZ PHE A 15 4.692 13.131 -3.187 1.00 21.22 H new ATOM 368 N GLU A 16 -0.056 14.601 -7.202 1.00 41.43 N ATOM 369 CA GLU A 16 -0.316 15.944 -6.680 1.00 0.21 C ATOM 370 C GLU A 16 -1.785 16.158 -6.285 1.00 40.14 C ATOM 371 O GLU A 16 -2.031 16.758 -5.242 1.00 50.12 O ATOM 372 CB GLU A 16 0.155 17.020 -7.676 1.00 62.30 C ATOM 373 CG GLU A 16 1.646 16.917 -8.045 1.00 34.23 C ATOM 374 CD GLU A 16 2.118 18.123 -8.855 1.00 35.45 C ATOM 375 OE1 GLU A 16 1.619 18.277 -9.990 1.00 2.32 O ATOM 376 OE2 GLU A 16 2.968 18.872 -8.322 1.00 14.32 O1- ATOM 0 H GLU A 16 0.232 14.592 -8.181 1.00 41.43 H new ATOM 0 HA GLU A 16 0.265 16.041 -5.763 1.00 0.21 H new ATOM 0 HB2 GLU A 16 -0.441 16.945 -8.586 1.00 62.30 H new ATOM 0 HB3 GLU A 16 -0.037 18.005 -7.250 1.00 62.30 H new ATOM 0 HG2 GLU A 16 2.240 16.836 -7.135 1.00 34.23 H new ATOM 0 HG3 GLU A 16 1.816 16.006 -8.619 1.00 34.23 H new ATOM 383 N ALA A 17 -2.728 15.621 -7.082 1.00 41.43 N ATOM 384 CA ALA A 17 -4.166 15.650 -6.804 1.00 64.44 C ATOM 385 C ALA A 17 -4.531 14.962 -5.477 1.00 21.15 C ATOM 386 O ALA A 17 -5.211 15.574 -4.653 1.00 52.04 O ATOM 387 CB ALA A 17 -4.927 15.023 -7.983 1.00 51.43 C ATOM 0 H ALA A 17 -2.500 15.146 -7.955 1.00 41.43 H new ATOM 0 HA ALA A 17 -4.463 16.693 -6.691 1.00 64.44 H new ATOM 0 HB1 ALA A 17 -5.997 15.044 -7.778 1.00 51.43 H new ATOM 0 HB2 ALA A 17 -4.721 15.589 -8.891 1.00 51.43 H new ATOM 0 HB3 ALA A 17 -4.603 13.991 -8.117 1.00 51.43 H new ATOM 393 N PHE A 18 -4.025 13.732 -5.283 1.00 53.03 N ATOM 394 CA PHE A 18 -4.194 12.930 -4.073 1.00 1.40 C ATOM 395 C PHE A 18 -3.555 13.560 -2.827 1.00 42.54 C ATOM 396 O PHE A 18 -4.224 13.647 -1.801 1.00 24.03 O ATOM 397 CB PHE A 18 -3.706 11.485 -4.333 1.00 72.24 C ATOM 398 CG PHE A 18 -3.665 10.564 -3.124 1.00 64.31 C ATOM 399 CD1 PHE A 18 -2.480 10.441 -2.367 1.00 12.40 C ATOM 400 CD2 PHE A 18 -4.847 9.954 -2.650 1.00 3.02 C ATOM 401 CE1 PHE A 18 -2.472 9.686 -1.203 1.00 31.44 C ATOM 402 CE2 PHE A 18 -4.815 9.201 -1.484 1.00 22.13 C ATOM 403 CZ PHE A 18 -3.635 9.066 -0.766 1.00 41.52 C ATOM 0 H PHE A 18 -3.468 13.258 -5.994 1.00 53.03 H new ATOM 0 HA PHE A 18 -5.259 12.898 -3.841 1.00 1.40 H new ATOM 0 HB2 PHE A 18 -4.353 11.035 -5.085 1.00 72.24 H new ATOM 0 HB3 PHE A 18 -2.705 11.533 -4.762 1.00 72.24 H new ATOM 0 HD1 PHE A 18 -1.578 10.936 -2.695 1.00 12.40 H new ATOM 0 HD2 PHE A 18 -5.773 10.073 -3.193 1.00 3.02 H new ATOM 0 HE1 PHE A 18 -1.559 9.580 -0.636 1.00 31.44 H new ATOM 0 HE2 PHE A 18 -5.715 8.717 -1.133 1.00 22.13 H new ATOM 0 HZ PHE A 18 -3.621 8.475 0.138 1.00 41.52 H new ATOM 413 N MET A 19 -2.283 13.983 -2.946 1.00 55.30 N ATOM 414 CA MET A 19 -1.491 14.541 -1.849 1.00 10.14 C ATOM 415 C MET A 19 -2.016 15.888 -1.329 1.00 23.02 C ATOM 416 O MET A 19 -1.997 16.106 -0.119 1.00 25.41 O ATOM 417 CB MET A 19 -0.006 14.622 -2.232 1.00 3.32 C ATOM 418 CG MET A 19 0.679 13.255 -2.387 1.00 44.32 C ATOM 419 SD MET A 19 0.850 12.314 -0.849 1.00 31.24 S ATOM 420 CE MET A 19 1.341 10.709 -1.527 1.00 45.12 C ATOM 0 H MET A 19 -1.772 13.943 -3.828 1.00 55.30 H new ATOM 0 HA MET A 19 -1.597 13.848 -1.014 1.00 10.14 H new ATOM 0 HB2 MET A 19 0.087 15.171 -3.169 1.00 3.32 H new ATOM 0 HB3 MET A 19 0.523 15.197 -1.472 1.00 3.32 H new ATOM 0 HG2 MET A 19 0.111 12.658 -3.101 1.00 44.32 H new ATOM 0 HG3 MET A 19 1.670 13.407 -2.816 1.00 44.32 H new ATOM 0 HE1 MET A 19 0.693 9.930 -1.125 1.00 45.12 H new ATOM 0 HE2 MET A 19 1.252 10.730 -2.613 1.00 45.12 H new ATOM 0 HE3 MET A 19 2.374 10.498 -1.252 1.00 45.12 H new ATOM 430 N LYS A 20 -2.517 16.751 -2.227 1.00 5.12 N ATOM 431 CA LYS A 20 -3.163 18.011 -1.852 1.00 70.21 C ATOM 432 C LYS A 20 -4.566 17.805 -1.245 1.00 45.31 C ATOM 433 O LYS A 20 -4.966 18.618 -0.413 1.00 54.35 O ATOM 434 CB LYS A 20 -3.189 18.964 -3.066 1.00 21.54 C ATOM 435 CG LYS A 20 -1.791 19.410 -3.559 1.00 73.32 C ATOM 436 CD LYS A 20 -0.987 20.309 -2.600 1.00 31.42 C ATOM 437 CE LYS A 20 -1.590 21.702 -2.363 1.00 14.14 C ATOM 438 NZ LYS A 20 -1.644 22.493 -3.605 1.00 71.41 N1+ ATOM 0 H LYS A 20 -2.484 16.591 -3.234 1.00 5.12 H new ATOM 0 HA LYS A 20 -2.571 18.470 -1.060 1.00 70.21 H new ATOM 0 HB2 LYS A 20 -3.711 18.472 -3.887 1.00 21.54 H new ATOM 0 HB3 LYS A 20 -3.768 19.850 -2.805 1.00 21.54 H new ATOM 0 HG2 LYS A 20 -1.201 18.518 -3.768 1.00 73.32 H new ATOM 0 HG3 LYS A 20 -1.914 19.940 -4.504 1.00 73.32 H new ATOM 0 HD2 LYS A 20 -0.895 19.801 -1.640 1.00 31.42 H new ATOM 0 HD3 LYS A 20 0.021 20.428 -2.996 1.00 31.42 H new ATOM 0 HE2 LYS A 20 -2.595 21.598 -1.954 1.00 14.14 H new ATOM 0 HE3 LYS A 20 -0.996 22.233 -1.619 1.00 14.14 H new ATOM 0 HZ1 LYS A 20 -1.961 23.459 -3.388 1.00 71.41 H new ATOM 0 HZ2 LYS A 20 -0.698 22.528 -4.036 1.00 71.41 H new ATOM 0 HZ3 LYS A 20 -2.311 22.051 -4.269 1.00 71.41 H new ATOM 452 N ALA A 21 -5.259 16.711 -1.617 1.00 70.25 N ATOM 453 CA ALA A 21 -6.559 16.324 -1.061 1.00 31.14 C ATOM 454 C ALA A 21 -6.479 15.744 0.364 1.00 31.42 C ATOM 455 O ALA A 21 -7.381 16.022 1.153 1.00 52.22 O ATOM 456 CB ALA A 21 -7.267 15.352 -2.016 1.00 4.31 C ATOM 0 H ALA A 21 -4.919 16.062 -2.327 1.00 70.25 H new ATOM 0 HA ALA A 21 -7.145 17.238 -0.968 1.00 31.14 H new ATOM 0 HB1 ALA A 21 -8.232 15.068 -1.597 1.00 4.31 H new ATOM 0 HB2 ALA A 21 -7.418 15.836 -2.981 1.00 4.31 H new ATOM 0 HB3 ALA A 21 -6.653 14.461 -2.149 1.00 4.31 H new ATOM 462 N ILE A 22 -5.400 15.003 0.689 1.00 64.42 N ATOM 463 CA ILE A 22 -5.103 14.561 2.062 1.00 53.33 C ATOM 464 C ILE A 22 -4.430 15.653 2.929 1.00 74.23 C ATOM 465 O ILE A 22 -4.303 15.453 4.136 1.00 51.23 O ATOM 466 CB ILE A 22 -4.247 13.259 2.124 1.00 34.13 C ATOM 467 CG1 ILE A 22 -2.872 13.361 1.441 1.00 63.24 C ATOM 468 CG2 ILE A 22 -5.029 12.053 1.586 1.00 10.14 C ATOM 469 CD1 ILE A 22 -1.923 12.197 1.757 1.00 61.52 C ATOM 0 H ILE A 22 -4.710 14.695 0.004 1.00 64.42 H new ATOM 0 HA ILE A 22 -6.086 14.347 2.480 1.00 53.33 H new ATOM 0 HB ILE A 22 -4.038 13.112 3.184 1.00 34.13 H new ATOM 0 HG12 ILE A 22 -3.018 13.413 0.362 1.00 63.24 H new ATOM 0 HG13 ILE A 22 -2.397 14.294 1.744 1.00 63.24 H new ATOM 0 HG21 ILE A 22 -4.406 11.161 1.642 1.00 10.14 H new ATOM 0 HG22 ILE A 22 -5.928 11.906 2.184 1.00 10.14 H new ATOM 0 HG23 ILE A 22 -5.309 12.235 0.548 1.00 10.14 H new ATOM 0 HD11 ILE A 22 -0.977 12.347 1.236 1.00 61.52 H new ATOM 0 HD12 ILE A 22 -1.743 12.156 2.831 1.00 61.52 H new ATOM 0 HD13 ILE A 22 -2.374 11.261 1.428 1.00 61.52 H new ATOM 481 N GLY A 23 -4.071 16.802 2.326 1.00 43.03 N ATOM 482 CA GLY A 23 -3.668 18.010 3.044 1.00 24.22 C ATOM 483 C GLY A 23 -2.176 18.033 3.409 1.00 33.24 C ATOM 484 O GLY A 23 -1.821 18.654 4.410 1.00 54.20 O ATOM 0 H GLY A 23 -4.055 16.911 1.312 1.00 43.03 H new ATOM 0 HA2 GLY A 23 -3.898 18.882 2.431 1.00 24.22 H new ATOM 0 HA3 GLY A 23 -4.259 18.096 3.956 1.00 24.22 H new ATOM 488 N LEU A 24 -1.307 17.377 2.621 1.00 41.30 N ATOM 489 CA LEU A 24 0.154 17.402 2.792 1.00 1.32 C ATOM 490 C LEU A 24 0.729 18.776 2.360 1.00 71.32 C ATOM 491 O LEU A 24 0.177 19.394 1.446 1.00 51.04 O ATOM 492 CB LEU A 24 0.774 16.241 1.972 1.00 61.22 C ATOM 493 CG LEU A 24 0.950 14.893 2.722 1.00 65.05 C ATOM 494 CD1 LEU A 24 2.331 14.753 3.387 1.00 2.04 C ATOM 495 CD2 LEU A 24 -0.181 14.531 3.703 1.00 64.15 C ATOM 0 H LEU A 24 -1.607 16.804 1.833 1.00 41.30 H new ATOM 0 HA LEU A 24 0.407 17.265 3.843 1.00 1.32 H new ATOM 0 HB2 LEU A 24 0.149 16.067 1.096 1.00 61.22 H new ATOM 0 HB3 LEU A 24 1.750 16.561 1.608 1.00 61.22 H new ATOM 0 HG LEU A 24 0.882 14.154 1.924 1.00 65.05 H new ATOM 0 HD11 LEU A 24 2.394 13.791 3.895 1.00 2.04 H new ATOM 0 HD12 LEU A 24 3.109 14.813 2.626 1.00 2.04 H new ATOM 0 HD13 LEU A 24 2.469 15.556 4.111 1.00 2.04 H new ATOM 0 HD21 LEU A 24 0.038 13.573 4.174 1.00 64.15 H new ATOM 0 HD22 LEU A 24 -0.259 15.302 4.469 1.00 64.15 H new ATOM 0 HD23 LEU A 24 -1.124 14.461 3.161 1.00 64.15 H new ATOM 507 N PRO A 25 1.818 19.238 3.021 1.00 51.42 N ATOM 508 CA PRO A 25 2.463 20.528 2.696 1.00 64.41 C ATOM 509 C PRO A 25 3.193 20.499 1.343 1.00 52.34 C ATOM 510 O PRO A 25 3.687 19.442 0.949 1.00 25.31 O ATOM 511 CB PRO A 25 3.443 20.737 3.863 1.00 42.32 C ATOM 512 CG PRO A 25 3.824 19.332 4.297 1.00 45.43 C ATOM 513 CD PRO A 25 2.526 18.555 4.108 1.00 10.24 C ATOM 0 HA PRO A 25 1.740 21.337 2.590 1.00 64.41 H new ATOM 0 HB2 PRO A 25 4.318 21.306 3.549 1.00 42.32 H new ATOM 0 HB3 PRO A 25 2.977 21.291 4.678 1.00 42.32 H new ATOM 0 HG2 PRO A 25 4.631 18.925 3.687 1.00 45.43 H new ATOM 0 HG3 PRO A 25 4.163 19.307 5.333 1.00 45.43 H new ATOM 0 HD2 PRO A 25 2.725 17.514 3.854 1.00 10.24 H new ATOM 0 HD3 PRO A 25 1.933 18.552 5.023 1.00 10.24 H new ATOM 521 N GLU A 26 3.250 21.665 0.673 1.00 15.43 N ATOM 522 CA GLU A 26 3.852 21.878 -0.652 1.00 32.41 C ATOM 523 C GLU A 26 5.279 21.317 -0.817 1.00 20.45 C ATOM 524 O GLU A 26 5.572 20.770 -1.878 1.00 41.02 O ATOM 525 CB GLU A 26 3.698 23.369 -1.041 1.00 40.32 C ATOM 526 CG GLU A 26 4.310 23.816 -2.393 1.00 11.11 C ATOM 527 CD GLU A 26 5.693 24.461 -2.264 1.00 71.15 C ATOM 528 OE1 GLU A 26 6.693 23.736 -2.459 1.00 30.22 O ATOM 529 OE2 GLU A 26 5.721 25.678 -1.981 1.00 51.31 O1- ATOM 0 H GLU A 26 2.859 22.523 1.061 1.00 15.43 H new ATOM 0 HA GLU A 26 3.299 21.275 -1.372 1.00 32.41 H new ATOM 0 HB2 GLU A 26 2.634 23.606 -1.057 1.00 40.32 H new ATOM 0 HB3 GLU A 26 4.147 23.972 -0.252 1.00 40.32 H new ATOM 0 HG2 GLU A 26 4.383 22.950 -3.051 1.00 11.11 H new ATOM 0 HG3 GLU A 26 3.633 24.524 -2.871 1.00 11.11 H new ATOM 536 N GLU A 27 6.093 21.379 0.256 1.00 72.42 N ATOM 537 CA GLU A 27 7.398 20.724 0.383 1.00 12.31 C ATOM 538 C GLU A 27 7.344 19.224 0.037 1.00 42.50 C ATOM 539 O GLU A 27 8.017 18.810 -0.903 1.00 21.24 O ATOM 540 CB GLU A 27 7.957 20.956 1.808 1.00 3.21 C ATOM 541 CG GLU A 27 9.288 20.223 2.120 1.00 35.22 C ATOM 542 CD GLU A 27 9.747 20.344 3.575 1.00 64.24 C ATOM 543 OE1 GLU A 27 9.280 21.272 4.269 1.00 75.20 O ATOM 544 OE2 GLU A 27 10.565 19.482 3.969 1.00 2.32 O1- ATOM 0 H GLU A 27 5.843 21.911 1.090 1.00 72.42 H new ATOM 0 HA GLU A 27 8.073 21.175 -0.345 1.00 12.31 H new ATOM 0 HB2 GLU A 27 8.107 22.026 1.953 1.00 3.21 H new ATOM 0 HB3 GLU A 27 7.207 20.638 2.532 1.00 3.21 H new ATOM 0 HG2 GLU A 27 9.174 19.167 1.874 1.00 35.22 H new ATOM 0 HG3 GLU A 27 10.069 20.620 1.471 1.00 35.22 H new ATOM 551 N LEU A 28 6.535 18.468 0.799 1.00 51.31 N ATOM 552 CA LEU A 28 6.378 17.014 0.699 1.00 65.54 C ATOM 553 C LEU A 28 5.752 16.544 -0.625 1.00 32.34 C ATOM 554 O LEU A 28 6.062 15.425 -1.037 1.00 40.54 O ATOM 555 CB LEU A 28 5.611 16.464 1.924 1.00 15.54 C ATOM 556 CG LEU A 28 6.506 16.127 3.141 1.00 40.12 C ATOM 557 CD1 LEU A 28 7.215 17.346 3.769 1.00 40.45 C ATOM 558 CD2 LEU A 28 5.720 15.346 4.206 1.00 71.15 C ATOM 0 H LEU A 28 5.951 18.874 1.530 1.00 51.31 H new ATOM 0 HA LEU A 28 7.385 16.596 0.700 1.00 65.54 H new ATOM 0 HB2 LEU A 28 4.865 17.198 2.229 1.00 15.54 H new ATOM 0 HB3 LEU A 28 5.071 15.565 1.626 1.00 15.54 H new ATOM 0 HG LEU A 28 7.302 15.497 2.745 1.00 40.12 H new ATOM 0 HD11 LEU A 28 7.820 17.019 4.614 1.00 40.45 H new ATOM 0 HD12 LEU A 28 7.856 17.817 3.024 1.00 40.45 H new ATOM 0 HD13 LEU A 28 6.470 18.063 4.112 1.00 40.45 H new ATOM 0 HD21 LEU A 28 6.373 15.123 5.049 1.00 71.15 H new ATOM 0 HD22 LEU A 28 4.877 15.946 4.549 1.00 71.15 H new ATOM 0 HD23 LEU A 28 5.351 14.415 3.776 1.00 71.15 H new ATOM 570 N ILE A 29 4.946 17.394 -1.296 1.00 13.23 N ATOM 571 CA ILE A 29 4.507 17.143 -2.671 1.00 61.03 C ATOM 572 C ILE A 29 5.680 17.303 -3.654 1.00 61.24 C ATOM 573 O ILE A 29 5.990 16.341 -4.349 1.00 44.33 O ATOM 574 CB ILE A 29 3.282 18.003 -3.139 1.00 42.33 C ATOM 575 CG1 ILE A 29 1.976 17.530 -2.466 1.00 62.41 C ATOM 576 CG2 ILE A 29 3.027 17.949 -4.664 1.00 63.41 C ATOM 577 CD1 ILE A 29 1.721 18.074 -1.064 1.00 23.43 C ATOM 0 H ILE A 29 4.588 18.263 -0.899 1.00 13.23 H new ATOM 0 HA ILE A 29 4.155 16.111 -2.673 1.00 61.03 H new ATOM 0 HB ILE A 29 3.545 19.021 -2.852 1.00 42.33 H new ATOM 0 HG12 ILE A 29 1.138 17.811 -3.103 1.00 62.41 H new ATOM 0 HG13 ILE A 29 1.988 16.441 -2.417 1.00 62.41 H new ATOM 0 HG21 ILE A 29 2.164 18.568 -4.911 1.00 63.41 H new ATOM 0 HG22 ILE A 29 3.904 18.321 -5.193 1.00 63.41 H new ATOM 0 HG23 ILE A 29 2.832 16.919 -4.964 1.00 63.41 H new ATOM 0 HD11 ILE A 29 0.778 17.678 -0.686 1.00 23.43 H new ATOM 0 HD12 ILE A 29 2.533 17.771 -0.403 1.00 23.43 H new ATOM 0 HD13 ILE A 29 1.670 19.162 -1.100 1.00 23.43 H new ATOM 589 N GLN A 30 6.314 18.488 -3.692 1.00 73.04 N ATOM 590 CA GLN A 30 7.350 18.823 -4.673 1.00 71.00 C ATOM 591 C GLN A 30 8.630 17.973 -4.586 1.00 2.13 C ATOM 592 O GLN A 30 9.194 17.661 -5.634 1.00 63.11 O ATOM 593 CB GLN A 30 7.655 20.338 -4.640 1.00 31.43 C ATOM 594 CG GLN A 30 6.494 21.257 -5.089 1.00 43.50 C ATOM 595 CD GLN A 30 5.904 20.894 -6.456 1.00 43.21 C ATOM 596 OE1 GLN A 30 6.611 20.876 -7.460 1.00 42.35 O ATOM 597 NE2 GLN A 30 4.603 20.594 -6.493 1.00 51.30 N ATOM 0 H GLN A 30 6.117 19.243 -3.035 1.00 73.04 H new ATOM 0 HA GLN A 30 6.931 18.564 -5.645 1.00 71.00 H new ATOM 0 HB2 GLN A 30 7.941 20.612 -3.625 1.00 31.43 H new ATOM 0 HB3 GLN A 30 8.517 20.532 -5.278 1.00 31.43 H new ATOM 0 HG2 GLN A 30 5.702 21.217 -4.341 1.00 43.50 H new ATOM 0 HG3 GLN A 30 6.851 22.287 -5.121 1.00 43.50 H new ATOM 0 HE21 GLN A 30 4.049 20.620 -5.637 1.00 51.30 H new ATOM 0 HE22 GLN A 30 4.163 20.339 -7.377 1.00 51.30 H new ATOM 606 N LYS A 31 9.030 17.563 -3.369 1.00 15.24 N ATOM 607 CA LYS A 31 10.131 16.621 -3.155 1.00 32.41 C ATOM 608 C LYS A 31 9.688 15.153 -3.301 1.00 15.54 C ATOM 609 O LYS A 31 10.550 14.306 -3.507 1.00 25.33 O ATOM 610 CB LYS A 31 10.813 16.910 -1.796 1.00 61.25 C ATOM 611 CG LYS A 31 10.065 16.442 -0.531 1.00 25.12 C ATOM 612 CD LYS A 31 10.329 14.984 -0.105 1.00 14.14 C ATOM 613 CE LYS A 31 10.526 14.828 1.407 1.00 54.24 C ATOM 614 NZ LYS A 31 11.791 15.443 1.842 1.00 12.45 N1+ ATOM 0 H LYS A 31 8.592 17.881 -2.504 1.00 15.24 H new ATOM 0 HA LYS A 31 10.870 16.773 -3.942 1.00 32.41 H new ATOM 0 HB2 LYS A 31 11.797 16.441 -1.803 1.00 61.25 H new ATOM 0 HB3 LYS A 31 10.973 17.985 -1.718 1.00 61.25 H new ATOM 0 HG2 LYS A 31 10.338 17.099 0.295 1.00 25.12 H new ATOM 0 HG3 LYS A 31 8.995 16.566 -0.696 1.00 25.12 H new ATOM 0 HD2 LYS A 31 9.493 14.361 -0.423 1.00 14.14 H new ATOM 0 HD3 LYS A 31 11.215 14.615 -0.621 1.00 14.14 H new ATOM 0 HE2 LYS A 31 9.692 15.291 1.935 1.00 54.24 H new ATOM 0 HE3 LYS A 31 10.523 13.770 1.670 1.00 54.24 H new ATOM 0 HZ1 LYS A 31 12.131 14.966 2.701 1.00 12.45 H new ATOM 0 HZ2 LYS A 31 12.501 15.347 1.088 1.00 12.45 H new ATOM 0 HZ3 LYS A 31 11.635 16.451 2.044 1.00 12.45 H new ATOM 628 N GLY A 32 8.379 14.862 -3.182 1.00 25.23 N ATOM 629 CA GLY A 32 7.832 13.507 -3.265 1.00 2.20 C ATOM 630 C GLY A 32 7.623 13.070 -4.722 1.00 32.41 C ATOM 631 O GLY A 32 7.827 11.896 -5.030 1.00 51.50 O ATOM 0 H GLY A 32 7.667 15.575 -3.024 1.00 25.23 H new ATOM 0 HA2 GLY A 32 8.508 12.810 -2.769 1.00 2.20 H new ATOM 0 HA3 GLY A 32 6.882 13.464 -2.732 1.00 2.20 H new ATOM 635 N LYS A 33 7.250 14.004 -5.617 1.00 23.43 N ATOM 636 CA LYS A 33 7.209 13.797 -7.069 1.00 13.23 C ATOM 637 C LYS A 33 8.598 13.895 -7.724 1.00 61.53 C ATOM 638 O LYS A 33 8.791 13.275 -8.768 1.00 51.30 O ATOM 639 CB LYS A 33 6.186 14.743 -7.744 1.00 51.13 C ATOM 640 CG LYS A 33 6.323 16.246 -7.422 1.00 0.44 C ATOM 641 CD LYS A 33 6.482 17.172 -8.635 1.00 73.42 C ATOM 642 CE LYS A 33 7.861 17.070 -9.298 1.00 35.11 C ATOM 643 NZ LYS A 33 8.011 18.075 -10.363 1.00 72.55 N1+ ATOM 0 H LYS A 33 6.963 14.943 -5.340 1.00 23.43 H new ATOM 0 HA LYS A 33 6.870 12.773 -7.230 1.00 13.23 H new ATOM 0 HB2 LYS A 33 6.265 14.617 -8.824 1.00 51.13 H new ATOM 0 HB3 LYS A 33 5.184 14.423 -7.458 1.00 51.13 H new ATOM 0 HG2 LYS A 33 5.443 16.561 -6.860 1.00 0.44 H new ATOM 0 HG3 LYS A 33 7.184 16.382 -6.768 1.00 0.44 H new ATOM 0 HD2 LYS A 33 5.714 16.932 -9.370 1.00 73.42 H new ATOM 0 HD3 LYS A 33 6.312 18.202 -8.322 1.00 73.42 H new ATOM 0 HE2 LYS A 33 8.640 17.210 -8.549 1.00 35.11 H new ATOM 0 HE3 LYS A 33 7.995 16.072 -9.714 1.00 35.11 H new ATOM 0 HZ1 LYS A 33 8.953 17.985 -10.795 1.00 72.55 H new ATOM 0 HZ2 LYS A 33 7.281 17.924 -11.088 1.00 72.55 H new ATOM 0 HZ3 LYS A 33 7.906 19.027 -9.959 1.00 72.55 H new ATOM 657 N ASP A 34 9.531 14.643 -7.106 1.00 50.54 N ATOM 658 CA ASP A 34 10.928 14.743 -7.538 1.00 73.22 C ATOM 659 C ASP A 34 11.698 13.462 -7.174 1.00 31.32 C ATOM 660 O ASP A 34 12.114 12.735 -8.077 1.00 61.12 O ATOM 661 CB ASP A 34 11.617 16.011 -6.984 1.00 22.05 C ATOM 662 CG ASP A 34 13.096 16.146 -7.360 1.00 5.32 C ATOM 663 OD1 ASP A 34 13.361 16.316 -8.570 1.00 31.22 O ATOM 664 OD2 ASP A 34 13.931 16.100 -6.428 1.00 3.34 O1- ATOM 0 H ASP A 34 9.326 15.203 -6.278 1.00 50.54 H new ATOM 0 HA ASP A 34 10.936 14.841 -8.624 1.00 73.22 H new ATOM 0 HB2 ASP A 34 11.081 16.888 -7.347 1.00 22.05 H new ATOM 0 HB3 ASP A 34 11.530 16.011 -5.897 1.00 22.05 H new ATOM 669 N ILE A 35 11.886 13.233 -5.862 1.00 12.23 N ATOM 670 CA ILE A 35 12.686 12.138 -5.326 1.00 41.32 C ATOM 671 C ILE A 35 11.940 10.809 -5.513 1.00 25.42 C ATOM 672 O ILE A 35 10.936 10.553 -4.844 1.00 2.34 O ATOM 673 CB ILE A 35 13.064 12.320 -3.823 1.00 45.03 C ATOM 674 CG1 ILE A 35 13.818 13.652 -3.595 1.00 53.41 C ATOM 675 CG2 ILE A 35 13.896 11.137 -3.270 1.00 41.45 C ATOM 676 CD1 ILE A 35 14.014 14.023 -2.117 1.00 5.42 C ATOM 0 H ILE A 35 11.474 13.821 -5.137 1.00 12.23 H new ATOM 0 HA ILE A 35 13.621 12.136 -5.885 1.00 41.32 H new ATOM 0 HB ILE A 35 12.124 12.344 -3.272 1.00 45.03 H new ATOM 0 HG12 ILE A 35 14.795 13.590 -4.074 1.00 53.41 H new ATOM 0 HG13 ILE A 35 13.271 14.455 -4.089 1.00 53.41 H new ATOM 0 HG21 ILE A 35 14.131 11.316 -2.221 1.00 41.45 H new ATOM 0 HG22 ILE A 35 13.322 10.215 -3.361 1.00 41.45 H new ATOM 0 HG23 ILE A 35 14.822 11.046 -3.839 1.00 41.45 H new ATOM 0 HD11 ILE A 35 14.551 14.969 -2.047 1.00 5.42 H new ATOM 0 HD12 ILE A 35 13.042 14.121 -1.634 1.00 5.42 H new ATOM 0 HD13 ILE A 35 14.589 13.242 -1.619 1.00 5.42 H new ATOM 688 N LYS A 36 12.476 10.007 -6.442 1.00 22.42 N ATOM 689 CA LYS A 36 12.050 8.654 -6.765 1.00 71.21 C ATOM 690 C LYS A 36 12.268 7.733 -5.553 1.00 4.44 C ATOM 691 O LYS A 36 13.407 7.557 -5.118 1.00 43.34 O ATOM 692 CB LYS A 36 12.813 8.240 -8.045 1.00 63.15 C ATOM 693 CG LYS A 36 12.555 6.817 -8.578 1.00 0.11 C ATOM 694 CD LYS A 36 13.512 5.727 -8.055 1.00 54.43 C ATOM 695 CE LYS A 36 14.928 5.834 -8.641 1.00 3.34 C ATOM 696 NZ LYS A 36 15.816 4.798 -8.088 1.00 51.25 N1+ ATOM 0 H LYS A 36 13.263 10.309 -7.017 1.00 22.42 H new ATOM 0 HA LYS A 36 10.983 8.581 -6.975 1.00 71.21 H new ATOM 0 HB2 LYS A 36 12.563 8.949 -8.834 1.00 63.15 H new ATOM 0 HB3 LYS A 36 13.881 8.342 -7.852 1.00 63.15 H new ATOM 0 HG2 LYS A 36 11.534 6.532 -8.323 1.00 0.11 H new ATOM 0 HG3 LYS A 36 12.617 6.839 -9.666 1.00 0.11 H new ATOM 0 HD2 LYS A 36 13.569 5.794 -6.969 1.00 54.43 H new ATOM 0 HD3 LYS A 36 13.100 4.746 -8.293 1.00 54.43 H new ATOM 0 HE2 LYS A 36 14.883 5.736 -9.726 1.00 3.34 H new ATOM 0 HE3 LYS A 36 15.339 6.820 -8.426 1.00 3.34 H new ATOM 0 HZ1 LYS A 36 16.769 4.907 -8.490 1.00 51.25 H new ATOM 0 HZ2 LYS A 36 15.863 4.897 -7.054 1.00 51.25 H new ATOM 0 HZ3 LYS A 36 15.444 3.857 -8.329 1.00 51.25 H new ATOM 710 N GLY A 37 11.159 7.202 -5.018 1.00 2.05 N ATOM 711 CA GLY A 37 11.133 6.363 -3.823 1.00 32.21 C ATOM 712 C GLY A 37 11.632 4.941 -4.113 1.00 11.23 C ATOM 713 O GLY A 37 11.851 4.547 -5.260 1.00 34.23 O ATOM 0 H GLY A 37 10.233 7.352 -5.419 1.00 2.05 H new ATOM 0 HA2 GLY A 37 11.753 6.815 -3.048 1.00 32.21 H new ATOM 0 HA3 GLY A 37 10.116 6.319 -3.432 1.00 32.21 H new ATOM 717 N VAL A 38 11.795 4.166 -3.035 1.00 23.15 N ATOM 718 CA VAL A 38 12.184 2.757 -3.073 1.00 73.42 C ATOM 719 C VAL A 38 11.155 1.978 -2.233 1.00 44.22 C ATOM 720 O VAL A 38 10.572 2.542 -1.307 1.00 3.40 O ATOM 721 CB VAL A 38 13.615 2.532 -2.496 1.00 61.42 C ATOM 722 CG1 VAL A 38 14.138 1.098 -2.710 1.00 1.10 C ATOM 723 CG2 VAL A 38 14.640 3.527 -3.077 1.00 41.14 C ATOM 0 H VAL A 38 11.655 4.514 -2.086 1.00 23.15 H new ATOM 0 HA VAL A 38 12.202 2.413 -4.107 1.00 73.42 H new ATOM 0 HB VAL A 38 13.511 2.702 -1.424 1.00 61.42 H new ATOM 0 HG11 VAL A 38 15.138 1.008 -2.286 1.00 1.10 H new ATOM 0 HG12 VAL A 38 13.470 0.390 -2.219 1.00 1.10 H new ATOM 0 HG13 VAL A 38 14.176 0.880 -3.777 1.00 1.10 H new ATOM 0 HG21 VAL A 38 15.622 3.331 -2.646 1.00 41.14 H new ATOM 0 HG22 VAL A 38 14.689 3.408 -4.159 1.00 41.14 H new ATOM 0 HG23 VAL A 38 14.335 4.546 -2.837 1.00 41.14 H new ATOM 733 N SER A 39 10.900 0.717 -2.596 1.00 55.12 N ATOM 734 CA SER A 39 9.839 -0.094 -2.006 1.00 32.20 C ATOM 735 C SER A 39 10.312 -1.543 -1.870 1.00 25.20 C ATOM 736 O SER A 39 11.117 -2.006 -2.668 1.00 12.25 O ATOM 737 CB SER A 39 8.585 0.051 -2.892 1.00 61.43 C ATOM 738 OG SER A 39 7.416 -0.409 -2.248 1.00 30.44 O ATOM 0 H SER A 39 11.432 0.229 -3.316 1.00 55.12 H new ATOM 0 HA SER A 39 9.587 0.242 -1.000 1.00 32.20 H new ATOM 0 HB2 SER A 39 8.457 1.098 -3.168 1.00 61.43 H new ATOM 0 HB3 SER A 39 8.730 -0.507 -3.817 1.00 61.43 H new ATOM 0 HG SER A 39 6.647 -0.296 -2.845 1.00 30.44 H new ATOM 744 N GLU A 40 9.801 -2.243 -0.858 1.00 0.52 N ATOM 745 CA GLU A 40 10.133 -3.632 -0.573 1.00 41.33 C ATOM 746 C GLU A 40 8.895 -4.312 0.001 1.00 33.01 C ATOM 747 O GLU A 40 8.140 -3.702 0.759 1.00 10.34 O ATOM 748 CB GLU A 40 11.364 -3.694 0.350 1.00 3.20 C ATOM 749 CG GLU A 40 11.822 -5.116 0.728 1.00 1.11 C ATOM 750 CD GLU A 40 13.054 -5.086 1.629 1.00 53.23 C ATOM 751 OE1 GLU A 40 14.112 -4.647 1.128 1.00 2.42 O ATOM 752 OE2 GLU A 40 12.916 -5.496 2.801 1.00 22.13 O1- ATOM 0 H GLU A 40 9.129 -1.848 -0.200 1.00 0.52 H new ATOM 0 HA GLU A 40 10.412 -4.174 -1.477 1.00 41.33 H new ATOM 0 HB2 GLU A 40 12.192 -3.179 -0.138 1.00 3.20 H new ATOM 0 HB3 GLU A 40 11.142 -3.145 1.265 1.00 3.20 H new ATOM 0 HG2 GLU A 40 11.011 -5.638 1.236 1.00 1.11 H new ATOM 0 HG3 GLU A 40 12.046 -5.680 -0.177 1.00 1.11 H new ATOM 759 N ILE A 41 8.693 -5.563 -0.421 1.00 21.23 N ATOM 760 CA ILE A 41 7.522 -6.355 -0.084 1.00 11.11 C ATOM 761 C ILE A 41 8.019 -7.787 0.169 1.00 1.33 C ATOM 762 O ILE A 41 8.910 -8.249 -0.542 1.00 2.42 O ATOM 763 CB ILE A 41 6.491 -6.380 -1.253 1.00 14.45 C ATOM 764 CG1 ILE A 41 6.175 -4.977 -1.833 1.00 73.42 C ATOM 765 CG2 ILE A 41 5.183 -7.045 -0.806 1.00 42.00 C ATOM 766 CD1 ILE A 41 5.279 -4.998 -3.081 1.00 72.04 C ATOM 0 H ILE A 41 9.356 -6.057 -1.018 1.00 21.23 H new ATOM 0 HA ILE A 41 7.024 -5.926 0.786 1.00 11.11 H new ATOM 0 HB ILE A 41 6.961 -6.960 -2.047 1.00 14.45 H new ATOM 0 HG12 ILE A 41 5.690 -4.378 -1.062 1.00 73.42 H new ATOM 0 HG13 ILE A 41 7.112 -4.479 -2.081 1.00 73.42 H new ATOM 0 HG21 ILE A 41 4.477 -7.053 -1.636 1.00 42.00 H new ATOM 0 HG22 ILE A 41 5.384 -8.069 -0.492 1.00 42.00 H new ATOM 0 HG23 ILE A 41 4.757 -6.487 0.028 1.00 42.00 H new ATOM 0 HD11 ILE A 41 5.107 -3.977 -3.422 1.00 72.04 H new ATOM 0 HD12 ILE A 41 5.769 -5.567 -3.871 1.00 72.04 H new ATOM 0 HD13 ILE A 41 4.325 -5.464 -2.836 1.00 72.04 H new ATOM 778 N VAL A 42 7.454 -8.455 1.186 1.00 51.41 N ATOM 779 CA VAL A 42 7.814 -9.822 1.546 1.00 23.01 C ATOM 780 C VAL A 42 6.540 -10.573 1.959 1.00 3.20 C ATOM 781 O VAL A 42 5.899 -10.160 2.920 1.00 70.04 O ATOM 782 CB VAL A 42 8.841 -9.887 2.723 1.00 64.41 C ATOM 783 CG1 VAL A 42 9.319 -11.325 3.005 1.00 21.22 C ATOM 784 CG2 VAL A 42 10.073 -8.987 2.509 1.00 14.34 C ATOM 0 H VAL A 42 6.730 -8.053 1.782 1.00 51.41 H new ATOM 0 HA VAL A 42 8.285 -10.278 0.676 1.00 23.01 H new ATOM 0 HB VAL A 42 8.290 -9.513 3.586 1.00 64.41 H new ATOM 0 HG11 VAL A 42 10.031 -11.317 3.831 1.00 21.22 H new ATOM 0 HG12 VAL A 42 8.464 -11.947 3.269 1.00 21.22 H new ATOM 0 HG13 VAL A 42 9.801 -11.729 2.115 1.00 21.22 H new ATOM 0 HG21 VAL A 42 10.744 -9.080 3.363 1.00 14.34 H new ATOM 0 HG22 VAL A 42 10.594 -9.294 1.602 1.00 14.34 H new ATOM 0 HG23 VAL A 42 9.753 -7.950 2.411 1.00 14.34 H new ATOM 794 N GLN A 43 6.220 -11.672 1.258 1.00 45.20 N ATOM 795 CA GLN A 43 5.196 -12.634 1.675 1.00 44.04 C ATOM 796 C GLN A 43 5.874 -13.792 2.428 1.00 71.32 C ATOM 797 O GLN A 43 6.923 -14.269 1.991 1.00 74.35 O ATOM 798 CB GLN A 43 4.387 -13.104 0.448 1.00 3.31 C ATOM 799 CG GLN A 43 3.324 -14.179 0.766 1.00 64.03 C ATOM 800 CD GLN A 43 2.392 -14.439 -0.416 1.00 22.32 C ATOM 801 OE1 GLN A 43 1.583 -13.585 -0.771 1.00 11.34 O ATOM 802 NE2 GLN A 43 2.485 -15.626 -1.020 1.00 42.23 N ATOM 0 H GLN A 43 6.672 -11.917 0.377 1.00 45.20 H new ATOM 0 HA GLN A 43 4.484 -12.170 2.358 1.00 44.04 H new ATOM 0 HB2 GLN A 43 3.893 -12.242 0.000 1.00 3.31 H new ATOM 0 HB3 GLN A 43 5.076 -13.500 -0.298 1.00 3.31 H new ATOM 0 HG2 GLN A 43 3.822 -15.108 1.045 1.00 64.03 H new ATOM 0 HG3 GLN A 43 2.736 -13.862 1.627 1.00 64.03 H new ATOM 0 HE21 GLN A 43 3.169 -16.310 -0.697 1.00 42.23 H new ATOM 0 HE22 GLN A 43 1.872 -15.849 -1.804 1.00 42.23 H new ATOM 811 N ASN A 44 5.262 -14.204 3.550 1.00 2.11 N ATOM 812 CA ASN A 44 5.811 -15.171 4.504 1.00 73.01 C ATOM 813 C ASN A 44 4.763 -16.258 4.826 1.00 14.21 C ATOM 814 O ASN A 44 4.519 -16.547 6.000 1.00 13.54 O ATOM 815 CB ASN A 44 6.284 -14.449 5.793 1.00 31.31 C ATOM 816 CG ASN A 44 7.293 -13.319 5.579 1.00 43.35 C ATOM 817 OD1 ASN A 44 8.479 -13.574 5.390 1.00 51.43 O ATOM 818 ND2 ASN A 44 6.830 -12.067 5.625 1.00 60.41 N ATOM 0 H ASN A 44 4.342 -13.860 3.824 1.00 2.11 H new ATOM 0 HA ASN A 44 6.677 -15.658 4.055 1.00 73.01 H new ATOM 0 HB2 ASN A 44 5.411 -14.042 6.302 1.00 31.31 H new ATOM 0 HB3 ASN A 44 6.727 -15.187 6.461 1.00 31.31 H new ATOM 0 HD21 ASN A 44 7.469 -11.282 5.501 1.00 60.41 H new ATOM 0 HD22 ASN A 44 5.837 -11.896 5.784 1.00 60.41 H new ATOM 825 N GLY A 45 4.156 -16.848 3.779 1.00 43.22 N ATOM 826 CA GLY A 45 3.189 -17.945 3.881 1.00 0.52 C ATOM 827 C GLY A 45 1.788 -17.410 4.217 1.00 45.51 C ATOM 828 O GLY A 45 0.905 -17.436 3.361 1.00 72.23 O ATOM 0 H GLY A 45 4.333 -16.564 2.816 1.00 43.22 H new ATOM 0 HA2 GLY A 45 3.157 -18.496 2.941 1.00 0.52 H new ATOM 0 HA3 GLY A 45 3.509 -18.647 4.651 1.00 0.52 H new ATOM 832 N LYS A 46 1.604 -16.933 5.458 1.00 30.04 N ATOM 833 CA LYS A 46 0.385 -16.288 5.959 1.00 51.45 C ATOM 834 C LYS A 46 0.683 -14.860 6.444 1.00 0.32 C ATOM 835 O LYS A 46 -0.165 -13.987 6.253 1.00 74.42 O ATOM 836 CB LYS A 46 -0.250 -17.152 7.076 1.00 21.31 C ATOM 837 CG LYS A 46 -1.653 -17.680 6.732 1.00 1.33 C ATOM 838 CD LYS A 46 -2.757 -16.604 6.762 1.00 73.32 C ATOM 839 CE LYS A 46 -4.147 -17.162 6.425 1.00 1.34 C ATOM 840 NZ LYS A 46 -4.253 -17.548 5.008 1.00 43.32 N1+ ATOM 0 H LYS A 46 2.334 -16.990 6.169 1.00 30.04 H new ATOM 0 HA LYS A 46 -0.335 -16.208 5.144 1.00 51.45 H new ATOM 0 HB2 LYS A 46 0.405 -17.998 7.285 1.00 21.31 H new ATOM 0 HB3 LYS A 46 -0.309 -16.561 7.990 1.00 21.31 H new ATOM 0 HG2 LYS A 46 -1.627 -18.130 5.740 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.914 -18.472 7.434 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -2.785 -16.147 7.751 1.00 73.32 H new ATOM 0 HD3 LYS A 46 -2.507 -15.815 6.053 1.00 73.32 H new ATOM 0 HE2 LYS A 46 -4.353 -18.028 7.054 1.00 1.34 H new ATOM 0 HE3 LYS A 46 -4.905 -16.413 6.655 1.00 1.34 H new ATOM 0 HZ1 LYS A 46 -5.216 -17.888 4.812 1.00 43.32 H new ATOM 0 HZ2 LYS A 46 -4.048 -16.724 4.407 1.00 43.32 H new ATOM 0 HZ3 LYS A 46 -3.570 -18.305 4.802 1.00 43.32 H new ATOM 854 N HIS A 47 1.882 -14.640 7.016 1.00 24.14 N ATOM 855 CA HIS A 47 2.415 -13.313 7.332 1.00 22.41 C ATOM 856 C HIS A 47 2.828 -12.558 6.055 1.00 14.04 C ATOM 857 O HIS A 47 2.958 -13.151 4.983 1.00 43.50 O ATOM 858 CB HIS A 47 3.608 -13.427 8.319 1.00 50.02 C ATOM 859 CG HIS A 47 3.426 -12.791 9.676 1.00 12.30 C ATOM 860 ND1 HIS A 47 2.741 -11.604 9.884 1.00 34.41 N ATOM 861 CD2 HIS A 47 3.874 -13.176 10.920 1.00 74.35 C ATOM 862 CE1 HIS A 47 2.804 -11.334 11.190 1.00 74.35 C ATOM 863 NE2 HIS A 47 3.479 -12.243 11.882 1.00 65.34 N ATOM 0 H HIS A 47 2.514 -15.398 7.274 1.00 24.14 H new ATOM 0 HA HIS A 47 1.624 -12.738 7.813 1.00 22.41 H new ATOM 0 HB2 HIS A 47 3.829 -14.484 8.465 1.00 50.02 H new ATOM 0 HB3 HIS A 47 4.484 -12.980 7.848 1.00 50.02 H new ATOM 0 HD1 HIS A 47 2.275 -11.041 9.172 1.00 34.41 H new ATOM 0 HD2 HIS A 47 4.447 -14.069 11.122 1.00 74.35 H new ATOM 0 HE1 HIS A 47 2.351 -10.462 11.639 1.00 74.35 H new ATOM 871 N PHE A 48 3.036 -11.247 6.211 1.00 64.22 N ATOM 872 CA PHE A 48 3.370 -10.333 5.131 1.00 21.45 C ATOM 873 C PHE A 48 4.027 -9.104 5.768 1.00 13.42 C ATOM 874 O PHE A 48 3.510 -8.599 6.762 1.00 2.42 O ATOM 875 CB PHE A 48 2.070 -9.967 4.380 1.00 52.14 C ATOM 876 CG PHE A 48 2.238 -9.313 3.022 1.00 13.14 C ATOM 877 CD1 PHE A 48 2.541 -7.940 2.911 1.00 75.01 C ATOM 878 CD2 PHE A 48 2.175 -10.100 1.853 1.00 65.05 C ATOM 879 CE1 PHE A 48 2.645 -7.353 1.658 1.00 13.00 C ATOM 880 CE2 PHE A 48 2.294 -9.497 0.608 1.00 52.34 C ATOM 881 CZ PHE A 48 2.498 -8.128 0.514 1.00 60.00 C ATOM 0 H PHE A 48 2.973 -10.787 7.119 1.00 64.22 H new ATOM 0 HA PHE A 48 4.059 -10.773 4.410 1.00 21.45 H new ATOM 0 HB2 PHE A 48 1.482 -10.876 4.251 1.00 52.14 H new ATOM 0 HB3 PHE A 48 1.487 -9.297 5.012 1.00 52.14 H new ATOM 0 HD1 PHE A 48 2.692 -7.346 3.800 1.00 75.01 H new ATOM 0 HD2 PHE A 48 2.035 -11.168 1.926 1.00 65.05 H new ATOM 0 HE1 PHE A 48 2.840 -6.294 1.572 1.00 13.00 H new ATOM 0 HE2 PHE A 48 2.228 -10.095 -0.289 1.00 52.34 H new ATOM 0 HZ PHE A 48 2.543 -7.660 -0.458 1.00 60.00 H new ATOM 891 N LYS A 49 5.117 -8.627 5.151 1.00 3.35 N ATOM 892 CA LYS A 49 5.755 -7.349 5.447 1.00 52.41 C ATOM 893 C LYS A 49 5.731 -6.432 4.220 1.00 72.32 C ATOM 894 O LYS A 49 5.738 -6.895 3.079 1.00 11.52 O ATOM 895 CB LYS A 49 7.203 -7.548 5.950 1.00 41.21 C ATOM 896 CG LYS A 49 7.325 -7.578 7.482 1.00 22.14 C ATOM 897 CD LYS A 49 8.732 -7.186 7.967 1.00 12.30 C ATOM 898 CE LYS A 49 8.834 -7.121 9.497 1.00 43.24 C ATOM 899 NZ LYS A 49 10.132 -6.575 9.927 1.00 54.54 N1+ ATOM 0 H LYS A 49 5.590 -9.142 4.408 1.00 3.35 H new ATOM 0 HA LYS A 49 5.186 -6.871 6.245 1.00 52.41 H new ATOM 0 HB2 LYS A 49 7.594 -8.481 5.545 1.00 41.21 H new ATOM 0 HB3 LYS A 49 7.828 -6.744 5.560 1.00 41.21 H new ATOM 0 HG2 LYS A 49 6.592 -6.898 7.915 1.00 22.14 H new ATOM 0 HG3 LYS A 49 7.085 -8.578 7.843 1.00 22.14 H new ATOM 0 HD2 LYS A 49 9.456 -7.907 7.589 1.00 12.30 H new ATOM 0 HD3 LYS A 49 8.999 -6.216 7.548 1.00 12.30 H new ATOM 0 HE2 LYS A 49 8.029 -6.501 9.891 1.00 43.24 H new ATOM 0 HE3 LYS A 49 8.701 -8.119 9.915 1.00 43.24 H new ATOM 0 HZ1 LYS A 49 10.169 -6.544 10.966 1.00 54.54 H new ATOM 0 HZ2 LYS A 49 10.899 -7.181 9.571 1.00 54.54 H new ATOM 0 HZ3 LYS A 49 10.247 -5.613 9.548 1.00 54.54 H new ATOM 913 N PHE A 50 5.733 -5.130 4.525 1.00 44.13 N ATOM 914 CA PHE A 50 5.769 -4.024 3.580 1.00 1.25 C ATOM 915 C PHE A 50 6.766 -3.016 4.170 1.00 11.43 C ATOM 916 O PHE A 50 6.731 -2.780 5.377 1.00 12.42 O ATOM 917 CB PHE A 50 4.342 -3.426 3.489 1.00 51.44 C ATOM 918 CG PHE A 50 3.839 -3.100 2.093 1.00 4.32 C ATOM 919 CD1 PHE A 50 4.651 -2.427 1.154 1.00 73.22 C ATOM 920 CD2 PHE A 50 2.484 -3.344 1.773 1.00 72.15 C ATOM 921 CE1 PHE A 50 4.132 -2.073 -0.084 1.00 21.11 C ATOM 922 CE2 PHE A 50 1.987 -2.986 0.528 1.00 61.23 C ATOM 923 CZ PHE A 50 2.810 -2.358 -0.399 1.00 22.42 C ATOM 0 H PHE A 50 5.708 -4.809 5.493 1.00 44.13 H new ATOM 0 HA PHE A 50 6.074 -4.315 2.575 1.00 1.25 H new ATOM 0 HB2 PHE A 50 3.646 -4.128 3.948 1.00 51.44 H new ATOM 0 HB3 PHE A 50 4.314 -2.514 4.085 1.00 51.44 H new ATOM 0 HD1 PHE A 50 5.675 -2.188 1.399 1.00 73.22 H new ATOM 0 HD2 PHE A 50 1.834 -3.810 2.499 1.00 72.15 H new ATOM 0 HE1 PHE A 50 4.760 -1.573 -0.806 1.00 21.11 H new ATOM 0 HE2 PHE A 50 0.957 -3.196 0.279 1.00 61.23 H new ATOM 0 HZ PHE A 50 2.419 -2.090 -1.370 1.00 22.42 H new ATOM 933 N THR A 51 7.625 -2.438 3.323 1.00 53.25 N ATOM 934 CA THR A 51 8.584 -1.397 3.692 1.00 42.45 C ATOM 935 C THR A 51 8.684 -0.410 2.520 1.00 21.42 C ATOM 936 O THR A 51 8.886 -0.847 1.391 1.00 40.20 O ATOM 937 CB THR A 51 9.993 -1.987 3.983 1.00 72.25 C ATOM 938 OG1 THR A 51 9.927 -2.911 5.051 1.00 1.10 O ATOM 939 CG2 THR A 51 11.069 -0.948 4.337 1.00 30.11 C ATOM 0 H THR A 51 7.672 -2.690 2.336 1.00 53.25 H new ATOM 0 HA THR A 51 8.238 -0.905 4.601 1.00 42.45 H new ATOM 0 HB THR A 51 10.290 -2.458 3.046 1.00 72.25 H new ATOM 0 HG1 THR A 51 10.820 -3.276 5.223 1.00 1.10 H new ATOM 0 HG21 THR A 51 12.016 -1.454 4.523 1.00 30.11 H new ATOM 0 HG22 THR A 51 11.187 -0.250 3.508 1.00 30.11 H new ATOM 0 HG23 THR A 51 10.768 -0.402 5.231 1.00 30.11 H new ATOM 947 N ILE A 52 8.501 0.892 2.788 1.00 41.33 N ATOM 948 CA ILE A 52 8.424 1.927 1.757 1.00 54.14 C ATOM 949 C ILE A 52 9.294 3.119 2.191 1.00 24.44 C ATOM 950 O ILE A 52 9.059 3.693 3.254 1.00 45.15 O ATOM 951 CB ILE A 52 6.971 2.451 1.518 1.00 74.01 C ATOM 952 CG1 ILE A 52 5.925 1.316 1.371 1.00 20.40 C ATOM 953 CG2 ILE A 52 6.914 3.361 0.270 1.00 55.04 C ATOM 954 CD1 ILE A 52 5.385 0.767 2.706 1.00 33.33 C ATOM 0 H ILE A 52 8.402 1.255 3.736 1.00 41.33 H new ATOM 0 HA ILE A 52 8.771 1.478 0.827 1.00 54.14 H new ATOM 0 HB ILE A 52 6.711 3.021 2.410 1.00 74.01 H new ATOM 0 HG12 ILE A 52 5.087 1.686 0.779 1.00 20.40 H new ATOM 0 HG13 ILE A 52 6.374 0.496 0.811 1.00 20.40 H new ATOM 0 HG21 ILE A 52 5.893 3.714 0.123 1.00 55.04 H new ATOM 0 HG22 ILE A 52 7.576 4.215 0.412 1.00 55.04 H new ATOM 0 HG23 ILE A 52 7.232 2.797 -0.607 1.00 55.04 H new ATOM 0 HD11 ILE A 52 4.660 -0.022 2.508 1.00 33.33 H new ATOM 0 HD12 ILE A 52 6.210 0.363 3.294 1.00 33.33 H new ATOM 0 HD13 ILE A 52 4.903 1.571 3.262 1.00 33.33 H new ATOM 966 N THR A 53 10.264 3.467 1.334 1.00 22.12 N ATOM 967 CA THR A 53 11.162 4.605 1.490 1.00 13.34 C ATOM 968 C THR A 53 10.613 5.809 0.706 1.00 63.33 C ATOM 969 O THR A 53 10.566 5.775 -0.526 1.00 3.11 O ATOM 970 CB THR A 53 12.576 4.281 0.941 1.00 54.14 C ATOM 971 OG1 THR A 53 13.095 3.146 1.606 1.00 44.35 O ATOM 972 CG2 THR A 53 13.608 5.418 1.065 1.00 4.54 C ATOM 0 H THR A 53 10.446 2.938 0.481 1.00 22.12 H new ATOM 0 HA THR A 53 11.229 4.831 2.554 1.00 13.34 H new ATOM 0 HB THR A 53 12.428 4.111 -0.125 1.00 54.14 H new ATOM 0 HG1 THR A 53 13.988 2.942 1.257 1.00 44.35 H new ATOM 0 HG21 THR A 53 14.562 5.090 0.653 1.00 4.54 H new ATOM 0 HG22 THR A 53 13.256 6.291 0.515 1.00 4.54 H new ATOM 0 HG23 THR A 53 13.737 5.679 2.115 1.00 4.54 H new ATOM 980 N ALA A 54 10.235 6.854 1.454 1.00 2.35 N ATOM 981 CA ALA A 54 9.923 8.189 0.949 1.00 30.14 C ATOM 982 C ALA A 54 11.207 9.033 0.826 1.00 24.35 C ATOM 983 O ALA A 54 12.296 8.560 1.153 1.00 5.40 O ATOM 984 CB ALA A 54 8.921 8.838 1.919 1.00 75.44 C ATOM 0 H ALA A 54 10.136 6.785 2.467 1.00 2.35 H new ATOM 0 HA ALA A 54 9.484 8.127 -0.047 1.00 30.14 H new ATOM 0 HB1 ALA A 54 8.669 9.838 1.567 1.00 75.44 H new ATOM 0 HB2 ALA A 54 8.016 8.232 1.967 1.00 75.44 H new ATOM 0 HB3 ALA A 54 9.366 8.905 2.912 1.00 75.44 H new ATOM 990 N GLY A 55 11.054 10.288 0.376 1.00 72.42 N ATOM 991 CA GLY A 55 12.142 11.243 0.145 1.00 34.33 C ATOM 992 C GLY A 55 12.785 11.822 1.425 1.00 33.32 C ATOM 993 O GLY A 55 13.437 12.862 1.335 1.00 61.42 O ATOM 0 H GLY A 55 10.137 10.676 0.156 1.00 72.42 H new ATOM 0 HA2 GLY A 55 12.917 10.752 -0.443 1.00 34.33 H new ATOM 0 HA3 GLY A 55 11.760 12.068 -0.457 1.00 34.33 H new ATOM 997 N SER A 56 12.590 11.189 2.593 1.00 24.25 N ATOM 998 CA SER A 56 13.130 11.603 3.891 1.00 51.21 C ATOM 999 C SER A 56 13.378 10.410 4.825 1.00 11.32 C ATOM 1000 O SER A 56 14.360 10.420 5.568 1.00 13.10 O ATOM 1001 CB SER A 56 12.164 12.601 4.573 1.00 20.12 C ATOM 1002 OG SER A 56 12.498 13.936 4.268 1.00 2.14 O ATOM 0 H SER A 56 12.028 10.340 2.658 1.00 24.25 H new ATOM 0 HA SER A 56 14.091 12.082 3.702 1.00 51.21 H new ATOM 0 HB2 SER A 56 11.143 12.398 4.251 1.00 20.12 H new ATOM 0 HB3 SER A 56 12.192 12.456 5.653 1.00 20.12 H new ATOM 0 HG SER A 56 11.868 14.541 4.713 1.00 2.14 H new ATOM 1008 N LYS A 57 12.448 9.442 4.814 1.00 73.31 N ATOM 1009 CA LYS A 57 12.276 8.437 5.862 1.00 20.53 C ATOM 1010 C LYS A 57 11.768 7.118 5.271 1.00 63.12 C ATOM 1011 O LYS A 57 11.356 7.082 4.113 1.00 14.45 O ATOM 1012 CB LYS A 57 11.316 9.015 6.939 1.00 73.21 C ATOM 1013 CG LYS A 57 9.907 9.441 6.452 1.00 2.02 C ATOM 1014 CD LYS A 57 8.850 8.319 6.411 1.00 74.54 C ATOM 1015 CE LYS A 57 7.558 8.721 5.686 1.00 51.10 C ATOM 1016 NZ LYS A 57 6.861 9.809 6.387 1.00 41.34 N1+ ATOM 0 H LYS A 57 11.778 9.338 4.052 1.00 73.31 H new ATOM 0 HA LYS A 57 13.232 8.209 6.333 1.00 20.53 H new ATOM 0 HB2 LYS A 57 11.195 8.268 7.724 1.00 73.21 H new ATOM 0 HB3 LYS A 57 11.796 9.881 7.394 1.00 73.21 H new ATOM 0 HG2 LYS A 57 9.542 10.236 7.102 1.00 2.02 H new ATOM 0 HG3 LYS A 57 10.000 9.865 5.452 1.00 2.02 H new ATOM 0 HD2 LYS A 57 9.277 7.446 5.918 1.00 74.54 H new ATOM 0 HD3 LYS A 57 8.607 8.022 7.431 1.00 74.54 H new ATOM 0 HE2 LYS A 57 7.793 9.034 4.669 1.00 51.10 H new ATOM 0 HE3 LYS A 57 6.899 7.856 5.609 1.00 51.10 H new ATOM 0 HZ1 LYS A 57 5.836 9.717 6.238 1.00 41.34 H new ATOM 0 HZ2 LYS A 57 7.069 9.756 7.405 1.00 41.34 H new ATOM 0 HZ3 LYS A 57 7.184 10.725 6.015 1.00 41.34 H new ATOM 1030 N VAL A 58 11.764 6.073 6.112 1.00 22.24 N ATOM 1031 CA VAL A 58 11.211 4.762 5.787 1.00 72.31 C ATOM 1032 C VAL A 58 10.132 4.406 6.827 1.00 12.04 C ATOM 1033 O VAL A 58 10.403 4.480 8.027 1.00 53.43 O ATOM 1034 CB VAL A 58 12.303 3.654 5.822 1.00 15.54 C ATOM 1035 CG1 VAL A 58 11.770 2.269 5.400 1.00 21.52 C ATOM 1036 CG2 VAL A 58 13.523 4.020 4.961 1.00 53.14 C ATOM 0 H VAL A 58 12.154 6.123 7.053 1.00 22.24 H new ATOM 0 HA VAL A 58 10.795 4.811 4.781 1.00 72.31 H new ATOM 0 HB VAL A 58 12.612 3.590 6.865 1.00 15.54 H new ATOM 0 HG11 VAL A 58 12.578 1.539 5.445 1.00 21.52 H new ATOM 0 HG12 VAL A 58 10.970 1.966 6.075 1.00 21.52 H new ATOM 0 HG13 VAL A 58 11.385 2.322 4.382 1.00 21.52 H new ATOM 0 HG21 VAL A 58 14.260 3.219 5.015 1.00 53.14 H new ATOM 0 HG22 VAL A 58 13.210 4.156 3.926 1.00 53.14 H new ATOM 0 HG23 VAL A 58 13.965 4.945 5.331 1.00 53.14 H new ATOM 1046 N ILE A 59 8.953 3.988 6.341 1.00 52.34 N ATOM 1047 CA ILE A 59 7.900 3.359 7.143 1.00 63.31 C ATOM 1048 C ILE A 59 7.748 1.906 6.681 1.00 31.44 C ATOM 1049 O ILE A 59 7.861 1.622 5.490 1.00 30.30 O ATOM 1050 CB ILE A 59 6.524 4.090 7.015 1.00 40.23 C ATOM 1051 CG1 ILE A 59 6.596 5.453 7.736 1.00 32.22 C ATOM 1052 CG2 ILE A 59 5.298 3.291 7.540 1.00 4.45 C ATOM 1053 CD1 ILE A 59 5.345 6.322 7.555 1.00 31.01 C ATOM 0 H ILE A 59 8.703 4.082 5.357 1.00 52.34 H new ATOM 0 HA ILE A 59 8.194 3.417 8.191 1.00 63.31 H new ATOM 0 HB ILE A 59 6.357 4.209 5.944 1.00 40.23 H new ATOM 0 HG12 ILE A 59 6.755 5.281 8.801 1.00 32.22 H new ATOM 0 HG13 ILE A 59 7.463 6.002 7.368 1.00 32.22 H new ATOM 0 HG21 ILE A 59 4.393 3.884 7.406 1.00 4.45 H new ATOM 0 HG22 ILE A 59 5.206 2.358 6.984 1.00 4.45 H new ATOM 0 HG23 ILE A 59 5.434 3.070 8.599 1.00 4.45 H new ATOM 0 HD11 ILE A 59 5.474 7.262 8.092 1.00 31.01 H new ATOM 0 HD12 ILE A 59 5.195 6.527 6.495 1.00 31.01 H new ATOM 0 HD13 ILE A 59 4.476 5.795 7.950 1.00 31.01 H new ATOM 1065 N GLN A 60 7.468 1.026 7.650 1.00 13.05 N ATOM 1066 CA GLN A 60 7.185 -0.382 7.436 1.00 21.24 C ATOM 1067 C GLN A 60 6.027 -0.840 8.325 1.00 24.42 C ATOM 1068 O GLN A 60 5.844 -0.316 9.422 1.00 55.10 O ATOM 1069 CB GLN A 60 8.459 -1.240 7.618 1.00 12.44 C ATOM 1070 CG GLN A 60 9.298 -0.955 8.884 1.00 71.21 C ATOM 1071 CD GLN A 60 10.535 -0.107 8.574 1.00 60.43 C ATOM 1072 OE1 GLN A 60 11.471 -0.582 7.933 1.00 22.25 O ATOM 1073 NE2 GLN A 60 10.553 1.147 9.030 1.00 2.35 N ATOM 0 H GLN A 60 7.433 1.292 8.634 1.00 13.05 H new ATOM 0 HA GLN A 60 6.866 -0.523 6.403 1.00 21.24 H new ATOM 0 HB2 GLN A 60 8.166 -2.290 7.630 1.00 12.44 H new ATOM 0 HB3 GLN A 60 9.096 -1.097 6.745 1.00 12.44 H new ATOM 0 HG2 GLN A 60 8.680 -0.440 9.620 1.00 71.21 H new ATOM 0 HG3 GLN A 60 9.609 -1.898 9.333 1.00 71.21 H new ATOM 0 HE21 GLN A 60 9.759 1.509 9.558 1.00 2.35 H new ATOM 0 HE22 GLN A 60 11.361 1.744 8.850 1.00 2.35 H new ATOM 1082 N ASN A 61 5.280 -1.827 7.810 1.00 15.02 N ATOM 1083 CA ASN A 61 4.170 -2.489 8.490 1.00 22.04 C ATOM 1084 C ASN A 61 4.273 -4.000 8.280 1.00 12.24 C ATOM 1085 O ASN A 61 4.984 -4.470 7.390 1.00 1.30 O ATOM 1086 CB ASN A 61 2.818 -1.956 7.960 1.00 74.13 C ATOM 1087 CG ASN A 61 2.538 -0.504 8.349 1.00 14.54 C ATOM 1088 OD1 ASN A 61 2.391 0.355 7.486 1.00 4.23 O ATOM 1089 ND2 ASN A 61 2.449 -0.230 9.653 1.00 71.34 N ATOM 0 H ASN A 61 5.443 -2.196 6.873 1.00 15.02 H new ATOM 0 HA ASN A 61 4.223 -2.274 9.557 1.00 22.04 H new ATOM 0 HB2 ASN A 61 2.804 -2.042 6.873 1.00 74.13 H new ATOM 0 HB3 ASN A 61 2.014 -2.587 8.340 1.00 74.13 H new ATOM 0 HD21 ASN A 61 2.252 0.722 9.962 1.00 71.34 H new ATOM 0 HD22 ASN A 61 2.578 -0.973 10.340 1.00 71.34 H new ATOM 1096 N GLU A 62 3.537 -4.725 9.131 1.00 11.32 N ATOM 1097 CA GLU A 62 3.485 -6.175 9.153 1.00 10.11 C ATOM 1098 C GLU A 62 2.066 -6.606 9.541 1.00 4.42 C ATOM 1099 O GLU A 62 1.456 -5.986 10.414 1.00 11.11 O ATOM 1100 CB GLU A 62 4.575 -6.694 10.111 1.00 64.34 C ATOM 1101 CG GLU A 62 4.722 -8.225 10.149 1.00 12.24 C ATOM 1102 CD GLU A 62 5.954 -8.674 10.938 1.00 52.11 C ATOM 1103 OE1 GLU A 62 6.268 -8.020 11.956 1.00 25.35 O ATOM 1104 OE2 GLU A 62 6.587 -9.649 10.484 1.00 52.24 O1- ATOM 0 H GLU A 62 2.945 -4.296 9.843 1.00 11.32 H new ATOM 0 HA GLU A 62 3.693 -6.609 8.175 1.00 10.11 H new ATOM 0 HB2 GLU A 62 5.531 -6.258 9.822 1.00 64.34 H new ATOM 0 HB3 GLU A 62 4.354 -6.339 11.118 1.00 64.34 H new ATOM 0 HG2 GLU A 62 3.829 -8.662 10.596 1.00 12.24 H new ATOM 0 HG3 GLU A 62 4.788 -8.606 9.130 1.00 12.24 H new ATOM 1111 N PHE A 63 1.563 -7.649 8.866 1.00 45.12 N ATOM 1112 CA PHE A 63 0.202 -8.151 9.042 1.00 45.42 C ATOM 1113 C PHE A 63 0.089 -9.615 8.614 1.00 52.20 C ATOM 1114 O PHE A 63 0.987 -10.139 7.957 1.00 63.22 O ATOM 1115 CB PHE A 63 -0.813 -7.240 8.307 1.00 33.31 C ATOM 1116 CG PHE A 63 -0.670 -7.126 6.799 1.00 72.14 C ATOM 1117 CD1 PHE A 63 0.154 -6.123 6.246 1.00 42.32 C ATOM 1118 CD2 PHE A 63 -1.245 -8.092 5.945 1.00 4.21 C ATOM 1119 CE1 PHE A 63 0.319 -6.043 4.870 1.00 33.11 C ATOM 1120 CE2 PHE A 63 -1.050 -8.004 4.574 1.00 1.52 C ATOM 1121 CZ PHE A 63 -0.292 -6.972 4.038 1.00 51.51 C ATOM 0 H PHE A 63 2.101 -8.171 8.174 1.00 45.12 H new ATOM 0 HA PHE A 63 -0.044 -8.120 10.104 1.00 45.42 H new ATOM 0 HB2 PHE A 63 -1.816 -7.605 8.526 1.00 33.31 H new ATOM 0 HB3 PHE A 63 -0.739 -6.239 8.731 1.00 33.31 H new ATOM 0 HD1 PHE A 63 0.656 -5.418 6.893 1.00 42.32 H new ATOM 0 HD2 PHE A 63 -1.835 -8.897 6.358 1.00 4.21 H new ATOM 0 HE1 PHE A 63 0.924 -5.256 4.445 1.00 33.11 H new ATOM 0 HE2 PHE A 63 -1.490 -8.742 3.920 1.00 1.52 H new ATOM 0 HZ PHE A 63 -0.177 -6.891 2.967 1.00 51.51 H new ATOM 1131 N THR A 64 -1.041 -10.230 8.988 1.00 74.12 N ATOM 1132 CA THR A 64 -1.416 -11.583 8.591 1.00 13.51 C ATOM 1133 C THR A 64 -2.683 -11.497 7.721 1.00 22.02 C ATOM 1134 O THR A 64 -3.648 -10.854 8.137 1.00 1.35 O ATOM 1135 CB THR A 64 -1.721 -12.500 9.811 1.00 73.13 C ATOM 1136 OG1 THR A 64 -0.968 -12.123 10.948 1.00 42.04 O ATOM 1137 CG2 THR A 64 -1.375 -13.968 9.528 1.00 4.13 C ATOM 0 H THR A 64 -1.733 -9.784 9.590 1.00 74.12 H new ATOM 0 HA THR A 64 -0.576 -12.018 8.050 1.00 13.51 H new ATOM 0 HB THR A 64 -2.789 -12.387 9.995 1.00 73.13 H new ATOM 0 HG1 THR A 64 -1.185 -12.718 11.696 1.00 42.04 H new ATOM 0 HG21 THR A 64 -1.604 -14.572 10.406 1.00 4.13 H new ATOM 0 HG22 THR A 64 -1.962 -14.323 8.681 1.00 4.13 H new ATOM 0 HG23 THR A 64 -0.313 -14.053 9.296 1.00 4.13 H new ATOM 1145 N VAL A 65 -2.647 -12.092 6.517 1.00 11.41 N ATOM 1146 CA VAL A 65 -3.720 -11.995 5.518 1.00 33.33 C ATOM 1147 C VAL A 65 -5.003 -12.698 6.013 1.00 61.03 C ATOM 1148 O VAL A 65 -4.950 -13.877 6.356 1.00 22.11 O ATOM 1149 CB VAL A 65 -3.285 -12.623 4.158 1.00 72.44 C ATOM 1150 CG1 VAL A 65 -4.377 -12.594 3.064 1.00 42.20 C ATOM 1151 CG2 VAL A 65 -2.015 -11.947 3.605 1.00 40.35 C ATOM 0 H VAL A 65 -1.860 -12.662 6.208 1.00 11.41 H new ATOM 0 HA VAL A 65 -3.925 -10.935 5.370 1.00 33.33 H new ATOM 0 HB VAL A 65 -3.089 -13.669 4.395 1.00 72.44 H new ATOM 0 HG11 VAL A 65 -3.991 -13.050 2.152 1.00 42.20 H new ATOM 0 HG12 VAL A 65 -5.250 -13.150 3.406 1.00 42.20 H new ATOM 0 HG13 VAL A 65 -4.661 -11.561 2.861 1.00 42.20 H new ATOM 0 HG21 VAL A 65 -1.740 -12.409 2.657 1.00 40.35 H new ATOM 0 HG22 VAL A 65 -2.206 -10.885 3.449 1.00 40.35 H new ATOM 0 HG23 VAL A 65 -1.199 -12.068 4.317 1.00 40.35 H new ATOM 1161 N GLY A 66 -6.118 -11.952 6.050 1.00 55.35 N ATOM 1162 CA GLY A 66 -7.413 -12.434 6.538 1.00 0.44 C ATOM 1163 C GLY A 66 -7.641 -12.153 8.031 1.00 33.05 C ATOM 1164 O GLY A 66 -8.724 -12.467 8.522 1.00 40.34 O ATOM 0 H GLY A 66 -6.142 -10.982 5.736 1.00 55.35 H new ATOM 0 HA2 GLY A 66 -8.209 -11.964 5.961 1.00 0.44 H new ATOM 0 HA3 GLY A 66 -7.483 -13.507 6.362 1.00 0.44 H new ATOM 1168 N GLU A 67 -6.670 -11.548 8.736 1.00 70.23 N ATOM 1169 CA GLU A 67 -6.791 -11.126 10.133 1.00 22.42 C ATOM 1170 C GLU A 67 -6.436 -9.637 10.260 1.00 3.42 C ATOM 1171 O GLU A 67 -5.690 -9.103 9.436 1.00 51.32 O ATOM 1172 CB GLU A 67 -5.907 -12.012 11.037 1.00 4.45 C ATOM 1173 CG GLU A 67 -6.250 -13.512 10.938 1.00 21.52 C ATOM 1174 CD GLU A 67 -5.563 -14.340 12.019 1.00 43.40 C ATOM 1175 OE1 GLU A 67 -4.485 -14.901 11.719 1.00 55.24 O ATOM 1176 OE2 GLU A 67 -6.133 -14.402 13.130 1.00 21.22 O1- ATOM 0 H GLU A 67 -5.757 -11.335 8.335 1.00 70.23 H new ATOM 0 HA GLU A 67 -7.822 -11.251 10.465 1.00 22.42 H new ATOM 0 HB2 GLU A 67 -4.861 -11.866 10.767 1.00 4.45 H new ATOM 0 HB3 GLU A 67 -6.017 -11.688 12.072 1.00 4.45 H new ATOM 0 HG2 GLU A 67 -7.329 -13.641 11.017 1.00 21.52 H new ATOM 0 HG3 GLU A 67 -5.956 -13.885 9.957 1.00 21.52 H new ATOM 1183 N GLU A 68 -7.009 -8.986 11.286 1.00 62.04 N ATOM 1184 CA GLU A 68 -6.853 -7.553 11.538 1.00 12.35 C ATOM 1185 C GLU A 68 -5.458 -7.197 12.068 1.00 34.40 C ATOM 1186 O GLU A 68 -4.953 -7.871 12.964 1.00 15.45 O ATOM 1187 CB GLU A 68 -7.929 -7.068 12.527 1.00 64.11 C ATOM 1188 CG GLU A 68 -9.346 -7.065 11.925 1.00 10.43 C ATOM 1189 CD GLU A 68 -10.394 -6.500 12.884 1.00 23.43 C ATOM 1190 OE1 GLU A 68 -11.247 -5.729 12.396 1.00 32.13 O ATOM 1191 OE2 GLU A 68 -10.329 -6.840 14.087 1.00 13.42 O1- ATOM 0 H GLU A 68 -7.602 -9.453 11.972 1.00 62.04 H new ATOM 0 HA GLU A 68 -6.975 -7.046 10.581 1.00 12.35 H new ATOM 0 HB2 GLU A 68 -7.917 -7.707 13.410 1.00 64.11 H new ATOM 0 HB3 GLU A 68 -7.680 -6.060 12.860 1.00 64.11 H new ATOM 0 HG2 GLU A 68 -9.345 -6.477 11.007 1.00 10.43 H new ATOM 0 HG3 GLU A 68 -9.622 -8.083 11.651 1.00 10.43 H new ATOM 1198 N CYS A 69 -4.907 -6.102 11.524 1.00 13.21 N ATOM 1199 CA CYS A 69 -3.648 -5.482 11.926 1.00 70.35 C ATOM 1200 C CYS A 69 -3.715 -3.989 11.585 1.00 60.52 C ATOM 1201 O CYS A 69 -4.427 -3.592 10.659 1.00 3.44 O ATOM 1202 CB CYS A 69 -2.428 -6.122 11.236 1.00 55.14 C ATOM 1203 SG CYS A 69 -1.874 -7.606 12.123 1.00 2.14 S ATOM 0 H CYS A 69 -5.354 -5.605 10.754 1.00 13.21 H new ATOM 0 HA CYS A 69 -3.518 -5.634 12.998 1.00 70.35 H new ATOM 0 HB2 CYS A 69 -2.684 -6.383 10.209 1.00 55.14 H new ATOM 0 HB3 CYS A 69 -1.614 -5.399 11.188 1.00 55.14 H new ATOM 0 HG CYS A 69 -2.888 -8.159 12.719 1.00 2.14 H new ATOM 1209 N GLU A 70 -2.951 -3.191 12.345 1.00 1.31 N ATOM 1210 CA GLU A 70 -2.887 -1.744 12.201 1.00 5.34 C ATOM 1211 C GLU A 70 -1.772 -1.346 11.222 1.00 21.04 C ATOM 1212 O GLU A 70 -0.595 -1.550 11.514 1.00 4.41 O ATOM 1213 CB GLU A 70 -2.741 -1.124 13.602 1.00 62.11 C ATOM 1214 CG GLU A 70 -2.929 0.399 13.614 1.00 33.43 C ATOM 1215 CD GLU A 70 -2.906 0.944 15.039 1.00 43.03 C ATOM 1216 OE1 GLU A 70 -1.783 1.147 15.551 1.00 55.11 O ATOM 1217 OE2 GLU A 70 -4.010 1.142 15.590 1.00 1.21 O1- ATOM 0 H GLU A 70 -2.352 -3.548 13.089 1.00 1.31 H new ATOM 0 HA GLU A 70 -3.804 -1.352 11.762 1.00 5.34 H new ATOM 0 HB2 GLU A 70 -3.472 -1.579 14.271 1.00 62.11 H new ATOM 0 HB3 GLU A 70 -1.754 -1.365 13.997 1.00 62.11 H new ATOM 0 HG2 GLU A 70 -2.140 0.871 13.028 1.00 33.43 H new ATOM 0 HG3 GLU A 70 -3.876 0.655 13.138 1.00 33.43 H new ATOM 1224 N LEU A 71 -2.188 -0.781 10.076 1.00 63.25 N ATOM 1225 CA LEU A 71 -1.321 -0.227 9.037 1.00 51.44 C ATOM 1226 C LEU A 71 -1.110 1.273 9.299 1.00 52.25 C ATOM 1227 O LEU A 71 -2.027 1.932 9.790 1.00 41.12 O ATOM 1228 CB LEU A 71 -1.983 -0.455 7.658 1.00 12.12 C ATOM 1229 CG LEU A 71 -2.139 -1.942 7.252 1.00 31.25 C ATOM 1230 CD1 LEU A 71 -2.949 -2.093 5.951 1.00 13.24 C ATOM 1231 CD2 LEU A 71 -0.789 -2.678 7.156 1.00 11.34 C ATOM 0 H LEU A 71 -3.178 -0.697 9.845 1.00 63.25 H new ATOM 0 HA LEU A 71 -0.349 -0.721 9.049 1.00 51.44 H new ATOM 0 HB2 LEU A 71 -2.968 0.012 7.662 1.00 12.12 H new ATOM 0 HB3 LEU A 71 -1.391 0.055 6.898 1.00 12.12 H new ATOM 0 HG LEU A 71 -2.700 -2.420 8.055 1.00 31.25 H new ATOM 0 HD11 LEU A 71 -3.037 -3.150 5.698 1.00 13.24 H new ATOM 0 HD12 LEU A 71 -3.943 -1.669 6.090 1.00 13.24 H new ATOM 0 HD13 LEU A 71 -2.440 -1.568 5.143 1.00 13.24 H new ATOM 0 HD21 LEU A 71 -0.960 -3.715 6.868 1.00 11.34 H new ATOM 0 HD22 LEU A 71 -0.162 -2.192 6.408 1.00 11.34 H new ATOM 0 HD23 LEU A 71 -0.288 -2.648 8.124 1.00 11.34 H new ATOM 1243 N GLU A 72 0.081 1.787 8.956 1.00 31.40 N ATOM 1244 CA GLU A 72 0.472 3.177 9.179 1.00 14.02 C ATOM 1245 C GLU A 72 0.620 3.914 7.841 1.00 21.53 C ATOM 1246 O GLU A 72 1.300 3.432 6.936 1.00 23.03 O ATOM 1247 CB GLU A 72 1.746 3.221 10.048 1.00 41.41 C ATOM 1248 CG GLU A 72 2.257 4.648 10.354 1.00 41.14 C ATOM 1249 CD GLU A 72 3.371 4.711 11.405 1.00 41.24 C ATOM 1250 OE1 GLU A 72 3.765 3.643 11.922 1.00 4.01 O ATOM 1251 OE2 GLU A 72 3.807 5.848 11.682 1.00 22.04 O1- ATOM 0 H GLU A 72 0.810 1.232 8.507 1.00 31.40 H new ATOM 0 HA GLU A 72 -0.308 3.704 9.728 1.00 14.02 H new ATOM 0 HB2 GLU A 72 1.548 2.709 10.989 1.00 41.41 H new ATOM 0 HB3 GLU A 72 2.536 2.665 9.543 1.00 41.41 H new ATOM 0 HG2 GLU A 72 2.621 5.096 9.429 1.00 41.14 H new ATOM 0 HG3 GLU A 72 1.419 5.256 10.694 1.00 41.14 H new ATOM 1258 N THR A 73 -0.019 5.091 7.774 1.00 53.10 N ATOM 1259 CA THR A 73 0.002 6.029 6.652 1.00 22.32 C ATOM 1260 C THR A 73 1.319 6.841 6.641 1.00 73.14 C ATOM 1261 O THR A 73 1.966 6.944 7.683 1.00 51.31 O ATOM 1262 CB THR A 73 -1.196 7.015 6.787 1.00 61.01 C ATOM 1263 OG1 THR A 73 -2.397 6.281 6.944 1.00 25.44 O ATOM 1264 CG2 THR A 73 -1.417 7.967 5.597 1.00 13.44 C ATOM 0 H THR A 73 -0.595 5.429 8.545 1.00 53.10 H new ATOM 0 HA THR A 73 -0.072 5.463 5.724 1.00 22.32 H new ATOM 0 HB THR A 73 -0.940 7.630 7.650 1.00 61.01 H new ATOM 0 HG1 THR A 73 -2.496 6.013 7.881 1.00 25.44 H new ATOM 0 HG21 THR A 73 -2.276 8.608 5.798 1.00 13.44 H new ATOM 0 HG22 THR A 73 -0.530 8.584 5.455 1.00 13.44 H new ATOM 0 HG23 THR A 73 -1.602 7.384 4.695 1.00 13.44 H new ATOM 1272 N MET A 74 1.701 7.416 5.483 1.00 65.23 N ATOM 1273 CA MET A 74 2.895 8.268 5.339 1.00 15.22 C ATOM 1274 C MET A 74 2.906 9.557 6.187 1.00 61.53 C ATOM 1275 O MET A 74 3.986 10.101 6.416 1.00 63.41 O ATOM 1276 CB MET A 74 3.183 8.562 3.852 1.00 4.31 C ATOM 1277 CG MET A 74 3.675 7.326 3.081 1.00 63.10 C ATOM 1278 SD MET A 74 4.481 7.685 1.495 1.00 71.13 S ATOM 1279 CE MET A 74 3.045 8.184 0.514 1.00 42.32 C ATOM 0 H MET A 74 1.182 7.299 4.613 1.00 65.23 H new ATOM 0 HA MET A 74 3.709 7.676 5.757 1.00 15.22 H new ATOM 0 HB2 MET A 74 2.277 8.941 3.380 1.00 4.31 H new ATOM 0 HB3 MET A 74 3.933 9.350 3.781 1.00 4.31 H new ATOM 0 HG2 MET A 74 4.375 6.777 3.711 1.00 63.10 H new ATOM 0 HG3 MET A 74 2.826 6.667 2.899 1.00 63.10 H new ATOM 0 HE1 MET A 74 3.365 8.440 -0.496 1.00 42.32 H new ATOM 0 HE2 MET A 74 2.331 7.362 0.470 1.00 42.32 H new ATOM 0 HE3 MET A 74 2.573 9.051 0.976 1.00 42.32 H new ATOM 1289 N THR A 75 1.736 9.994 6.673 1.00 42.10 N ATOM 1290 CA THR A 75 1.573 11.045 7.677 1.00 73.34 C ATOM 1291 C THR A 75 1.908 10.553 9.104 1.00 4.34 C ATOM 1292 O THR A 75 2.543 11.301 9.848 1.00 65.22 O ATOM 1293 CB THR A 75 0.100 11.522 7.705 1.00 44.22 C ATOM 1294 OG1 THR A 75 -0.771 10.408 7.804 1.00 73.25 O ATOM 1295 CG2 THR A 75 -0.294 12.309 6.452 1.00 62.31 C ATOM 0 H THR A 75 0.845 9.607 6.363 1.00 42.10 H new ATOM 0 HA THR A 75 2.258 11.846 7.397 1.00 73.34 H new ATOM 0 HB THR A 75 0.010 12.177 8.571 1.00 44.22 H new ATOM 0 HG1 THR A 75 -1.545 10.545 7.219 1.00 73.25 H new ATOM 0 HG21 THR A 75 -1.337 12.617 6.529 1.00 62.31 H new ATOM 0 HG22 THR A 75 0.339 13.192 6.363 1.00 62.31 H new ATOM 0 HG23 THR A 75 -0.165 11.679 5.572 1.00 62.31 H new ATOM 1303 N GLY A 76 1.495 9.322 9.444 1.00 3.43 N ATOM 1304 CA GLY A 76 1.640 8.738 10.774 1.00 13.34 C ATOM 1305 C GLY A 76 0.282 8.382 11.399 1.00 34.01 C ATOM 1306 O GLY A 76 0.286 7.895 12.530 1.00 72.12 O ATOM 0 H GLY A 76 1.040 8.695 8.780 1.00 3.43 H new ATOM 0 HA2 GLY A 76 2.256 7.841 10.711 1.00 13.34 H new ATOM 0 HA3 GLY A 76 2.165 9.440 11.423 1.00 13.34 H new ATOM 1310 N GLU A 77 -0.861 8.576 10.703 1.00 2.11 N ATOM 1311 CA GLU A 77 -2.157 8.020 11.125 1.00 62.44 C ATOM 1312 C GLU A 77 -2.128 6.487 11.037 1.00 4.12 C ATOM 1313 O GLU A 77 -1.816 5.945 9.976 1.00 42.31 O ATOM 1314 CB GLU A 77 -3.351 8.551 10.299 1.00 1.33 C ATOM 1315 CG GLU A 77 -3.808 9.989 10.620 1.00 21.25 C ATOM 1316 CD GLU A 77 -3.023 11.054 9.864 1.00 24.55 C ATOM 1317 OE1 GLU A 77 -3.299 11.202 8.653 1.00 34.11 O ATOM 1318 OE2 GLU A 77 -2.146 11.685 10.491 1.00 2.32 O1- ATOM 0 H GLU A 77 -0.907 9.119 9.840 1.00 2.11 H new ATOM 0 HA GLU A 77 -2.306 8.345 12.155 1.00 62.44 H new ATOM 0 HB2 GLU A 77 -3.087 8.502 9.243 1.00 1.33 H new ATOM 0 HB3 GLU A 77 -4.197 7.880 10.448 1.00 1.33 H new ATOM 0 HG2 GLU A 77 -4.866 10.089 10.380 1.00 21.25 H new ATOM 0 HG3 GLU A 77 -3.707 10.165 11.691 1.00 21.25 H new ATOM 1325 N LYS A 78 -2.461 5.832 12.157 1.00 34.45 N ATOM 1326 CA LYS A 78 -2.433 4.382 12.295 1.00 62.24 C ATOM 1327 C LYS A 78 -3.877 3.866 12.336 1.00 52.53 C ATOM 1328 O LYS A 78 -4.652 4.289 13.195 1.00 41.41 O ATOM 1329 CB LYS A 78 -1.633 4.017 13.556 1.00 24.04 C ATOM 1330 CG LYS A 78 -0.189 4.557 13.548 1.00 12.42 C ATOM 1331 CD LYS A 78 0.728 3.816 14.531 1.00 34.14 C ATOM 1332 CE LYS A 78 1.139 2.419 14.027 1.00 51.30 C ATOM 1333 NZ LYS A 78 1.016 1.404 15.085 1.00 3.34 N1+ ATOM 0 H LYS A 78 -2.762 6.311 13.006 1.00 34.45 H new ATOM 0 HA LYS A 78 -1.937 3.907 11.448 1.00 62.24 H new ATOM 0 HB2 LYS A 78 -2.153 4.406 14.431 1.00 24.04 H new ATOM 0 HB3 LYS A 78 -1.606 2.932 13.658 1.00 24.04 H new ATOM 0 HG2 LYS A 78 0.220 4.472 12.541 1.00 12.42 H new ATOM 0 HG3 LYS A 78 -0.201 5.618 13.798 1.00 12.42 H new ATOM 0 HD2 LYS A 78 1.624 4.412 14.705 1.00 34.14 H new ATOM 0 HD3 LYS A 78 0.220 3.716 15.490 1.00 34.14 H new ATOM 0 HE2 LYS A 78 0.514 2.139 13.179 1.00 51.30 H new ATOM 0 HE3 LYS A 78 2.168 2.449 13.669 1.00 51.30 H new ATOM 0 HZ1 LYS A 78 1.442 0.512 14.761 1.00 3.34 H new ATOM 0 HZ2 LYS A 78 1.508 1.732 15.940 1.00 3.34 H new ATOM 0 HZ3 LYS A 78 0.011 1.249 15.302 1.00 3.34 H new ATOM 1347 N VAL A 79 -4.213 3.001 11.367 1.00 4.14 N ATOM 1348 CA VAL A 79 -5.575 2.582 11.043 1.00 74.43 C ATOM 1349 C VAL A 79 -5.650 1.062 10.802 1.00 74.30 C ATOM 1350 O VAL A 79 -4.881 0.517 10.010 1.00 24.50 O ATOM 1351 CB VAL A 79 -6.111 3.328 9.783 1.00 63.22 C ATOM 1352 CG1 VAL A 79 -6.640 4.726 10.140 1.00 32.44 C ATOM 1353 CG2 VAL A 79 -5.091 3.432 8.628 1.00 71.32 C ATOM 0 H VAL A 79 -3.514 2.561 10.769 1.00 4.14 H new ATOM 0 HA VAL A 79 -6.198 2.837 11.900 1.00 74.43 H new ATOM 0 HB VAL A 79 -6.931 2.709 9.420 1.00 63.22 H new ATOM 0 HG11 VAL A 79 -7.006 5.218 9.239 1.00 32.44 H new ATOM 0 HG12 VAL A 79 -7.454 4.634 10.859 1.00 32.44 H new ATOM 0 HG13 VAL A 79 -5.836 5.319 10.576 1.00 32.44 H new ATOM 0 HG21 VAL A 79 -5.542 3.964 7.791 1.00 71.32 H new ATOM 0 HG22 VAL A 79 -4.209 3.974 8.969 1.00 71.32 H new ATOM 0 HG23 VAL A 79 -4.801 2.431 8.308 1.00 71.32 H new ATOM 1363 N LYS A 80 -6.588 0.413 11.509 1.00 63.33 N ATOM 1364 CA LYS A 80 -6.842 -1.026 11.447 1.00 34.21 C ATOM 1365 C LYS A 80 -7.684 -1.425 10.230 1.00 52.24 C ATOM 1366 O LYS A 80 -8.638 -0.728 9.885 1.00 75.41 O ATOM 1367 CB LYS A 80 -7.512 -1.488 12.756 1.00 34.34 C ATOM 1368 CG LYS A 80 -6.532 -1.551 13.942 1.00 31.13 C ATOM 1369 CD LYS A 80 -7.214 -1.798 15.298 1.00 52.13 C ATOM 1370 CE LYS A 80 -8.022 -3.104 15.372 1.00 31.42 C ATOM 1371 NZ LYS A 80 -8.614 -3.293 16.706 1.00 4.01 N1+ ATOM 0 H LYS A 80 -7.208 0.895 12.159 1.00 63.33 H new ATOM 0 HA LYS A 80 -5.882 -1.528 11.331 1.00 34.21 H new ATOM 0 HB2 LYS A 80 -8.327 -0.807 13.001 1.00 34.34 H new ATOM 0 HB3 LYS A 80 -7.954 -2.473 12.604 1.00 34.34 H new ATOM 0 HG2 LYS A 80 -5.807 -2.345 13.761 1.00 31.13 H new ATOM 0 HG3 LYS A 80 -5.975 -0.615 13.991 1.00 31.13 H new ATOM 0 HD2 LYS A 80 -6.452 -1.811 16.077 1.00 52.13 H new ATOM 0 HD3 LYS A 80 -7.878 -0.961 15.515 1.00 52.13 H new ATOM 0 HE2 LYS A 80 -8.811 -3.089 14.621 1.00 31.42 H new ATOM 0 HE3 LYS A 80 -7.374 -3.948 15.136 1.00 31.42 H new ATOM 0 HZ1 LYS A 80 -9.153 -4.182 16.724 1.00 4.01 H new ATOM 0 HZ2 LYS A 80 -7.858 -3.332 17.419 1.00 4.01 H new ATOM 0 HZ3 LYS A 80 -9.250 -2.499 16.919 1.00 4.01 H new ATOM 1385 N THR A 81 -7.322 -2.578 9.645 1.00 10.31 N ATOM 1386 CA THR A 81 -8.013 -3.208 8.524 1.00 71.10 C ATOM 1387 C THR A 81 -7.495 -4.651 8.326 1.00 11.10 C ATOM 1388 O THR A 81 -6.500 -5.043 8.939 1.00 2.42 O ATOM 1389 CB THR A 81 -7.843 -2.389 7.206 1.00 64.15 C ATOM 1390 OG1 THR A 81 -8.695 -2.886 6.192 1.00 65.32 O ATOM 1391 CG2 THR A 81 -6.414 -2.377 6.629 1.00 11.32 C ATOM 0 H THR A 81 -6.510 -3.111 9.956 1.00 10.31 H new ATOM 0 HA THR A 81 -9.077 -3.234 8.761 1.00 71.10 H new ATOM 0 HB THR A 81 -8.097 -1.369 7.496 1.00 64.15 H new ATOM 0 HG1 THR A 81 -8.718 -2.253 5.444 1.00 65.32 H new ATOM 0 HG21 THR A 81 -6.396 -1.784 5.715 1.00 11.32 H new ATOM 0 HG22 THR A 81 -5.731 -1.941 7.358 1.00 11.32 H new ATOM 0 HG23 THR A 81 -6.103 -3.398 6.405 1.00 11.32 H new ATOM 1399 N VAL A 82 -8.181 -5.400 7.451 1.00 12.10 N ATOM 1400 CA VAL A 82 -7.769 -6.706 6.950 1.00 65.00 C ATOM 1401 C VAL A 82 -7.356 -6.554 5.474 1.00 15.30 C ATOM 1402 O VAL A 82 -8.061 -5.894 4.707 1.00 20.31 O ATOM 1403 CB VAL A 82 -8.955 -7.713 7.004 1.00 43.35 C ATOM 1404 CG1 VAL A 82 -8.626 -9.093 6.404 1.00 44.21 C ATOM 1405 CG2 VAL A 82 -9.483 -7.891 8.437 1.00 75.14 C ATOM 0 H VAL A 82 -9.073 -5.095 7.061 1.00 12.10 H new ATOM 0 HA VAL A 82 -6.947 -7.074 7.564 1.00 65.00 H new ATOM 0 HB VAL A 82 -9.730 -7.266 6.381 1.00 43.35 H new ATOM 0 HG11 VAL A 82 -9.500 -9.740 6.478 1.00 44.21 H new ATOM 0 HG12 VAL A 82 -8.347 -8.977 5.357 1.00 44.21 H new ATOM 0 HG13 VAL A 82 -7.797 -9.540 6.953 1.00 44.21 H new ATOM 0 HG21 VAL A 82 -10.310 -8.601 8.434 1.00 75.14 H new ATOM 0 HG22 VAL A 82 -8.684 -8.267 9.075 1.00 75.14 H new ATOM 0 HG23 VAL A 82 -9.830 -6.931 8.819 1.00 75.14 H new ATOM 1415 N VAL A 83 -6.250 -7.215 5.098 1.00 41.31 N ATOM 1416 CA VAL A 83 -5.824 -7.365 3.707 1.00 54.31 C ATOM 1417 C VAL A 83 -6.243 -8.760 3.204 1.00 42.34 C ATOM 1418 O VAL A 83 -6.180 -9.734 3.957 1.00 72.03 O ATOM 1419 CB VAL A 83 -4.284 -7.204 3.560 1.00 63.10 C ATOM 1420 CG1 VAL A 83 -3.753 -7.442 2.127 1.00 45.23 C ATOM 1421 CG2 VAL A 83 -3.818 -5.821 4.061 1.00 52.03 C ATOM 0 H VAL A 83 -5.622 -7.664 5.764 1.00 41.31 H new ATOM 0 HA VAL A 83 -6.301 -6.584 3.115 1.00 54.31 H new ATOM 0 HB VAL A 83 -3.860 -7.990 4.184 1.00 63.10 H new ATOM 0 HG11 VAL A 83 -2.671 -7.310 2.113 1.00 45.23 H new ATOM 0 HG12 VAL A 83 -3.999 -8.456 1.812 1.00 45.23 H new ATOM 0 HG13 VAL A 83 -4.214 -6.728 1.445 1.00 45.23 H new ATOM 0 HG21 VAL A 83 -2.737 -5.737 3.946 1.00 52.03 H new ATOM 0 HG22 VAL A 83 -4.306 -5.040 3.479 1.00 52.03 H new ATOM 0 HG23 VAL A 83 -4.081 -5.708 5.113 1.00 52.03 H new ATOM 1431 N GLN A 84 -6.665 -8.809 1.935 1.00 61.33 N ATOM 1432 CA GLN A 84 -7.093 -9.997 1.200 1.00 41.54 C ATOM 1433 C GLN A 84 -6.333 -10.134 -0.123 1.00 4.15 C ATOM 1434 O GLN A 84 -5.577 -9.236 -0.489 1.00 61.00 O ATOM 1435 CB GLN A 84 -8.627 -9.923 0.981 1.00 50.45 C ATOM 1436 CG GLN A 84 -9.446 -10.395 2.196 1.00 14.11 C ATOM 1437 CD GLN A 84 -9.277 -11.896 2.443 1.00 70.34 C ATOM 1438 OE1 GLN A 84 -9.851 -12.717 1.734 1.00 4.12 O ATOM 1439 NE2 GLN A 84 -8.467 -12.263 3.436 1.00 32.13 N ATOM 0 H GLN A 84 -6.719 -7.967 1.362 1.00 61.33 H new ATOM 0 HA GLN A 84 -6.862 -10.890 1.781 1.00 41.54 H new ATOM 0 HB2 GLN A 84 -8.903 -8.895 0.744 1.00 50.45 H new ATOM 0 HB3 GLN A 84 -8.892 -10.531 0.116 1.00 50.45 H new ATOM 0 HG2 GLN A 84 -9.134 -9.843 3.082 1.00 14.11 H new ATOM 0 HG3 GLN A 84 -10.500 -10.169 2.035 1.00 14.11 H new ATOM 0 HE21 GLN A 84 -8.006 -11.554 4.006 1.00 32.13 H new ATOM 0 HE22 GLN A 84 -8.309 -13.253 3.626 1.00 32.13 H new ATOM 1448 N LEU A 85 -6.550 -11.271 -0.803 1.00 40.43 N ATOM 1449 CA LEU A 85 -5.973 -11.605 -2.103 1.00 51.31 C ATOM 1450 C LEU A 85 -7.096 -12.214 -2.958 1.00 54.41 C ATOM 1451 O LEU A 85 -7.817 -13.085 -2.469 1.00 41.12 O ATOM 1452 CB LEU A 85 -4.761 -12.552 -1.878 1.00 65.52 C ATOM 1453 CG LEU A 85 -3.667 -12.542 -2.976 1.00 33.43 C ATOM 1454 CD1 LEU A 85 -2.345 -13.140 -2.450 1.00 3.42 C ATOM 1455 CD2 LEU A 85 -4.094 -13.251 -4.271 1.00 64.25 C ATOM 0 H LEU A 85 -7.157 -12.008 -0.443 1.00 40.43 H new ATOM 0 HA LEU A 85 -5.587 -10.737 -2.637 1.00 51.31 H new ATOM 0 HB2 LEU A 85 -4.295 -12.290 -0.928 1.00 65.52 H new ATOM 0 HB3 LEU A 85 -5.137 -13.570 -1.779 1.00 65.52 H new ATOM 0 HG LEU A 85 -3.511 -11.493 -3.229 1.00 33.43 H new ATOM 0 HD11 LEU A 85 -1.596 -13.120 -3.242 1.00 3.42 H new ATOM 0 HD12 LEU A 85 -1.992 -12.553 -1.602 1.00 3.42 H new ATOM 0 HD13 LEU A 85 -2.512 -14.170 -2.134 1.00 3.42 H new ATOM 0 HD21 LEU A 85 -3.281 -13.206 -4.996 1.00 64.25 H new ATOM 0 HD22 LEU A 85 -4.330 -14.293 -4.055 1.00 64.25 H new ATOM 0 HD23 LEU A 85 -4.974 -12.758 -4.683 1.00 64.25 H new ATOM 1467 N GLU A 86 -7.234 -11.739 -4.210 1.00 40.40 N ATOM 1468 CA GLU A 86 -8.292 -12.145 -5.148 1.00 12.40 C ATOM 1469 C GLU A 86 -7.922 -13.372 -6.018 1.00 63.23 C ATOM 1470 O GLU A 86 -8.584 -13.618 -7.025 1.00 40.13 O ATOM 1471 CB GLU A 86 -8.743 -10.920 -5.981 1.00 41.14 C ATOM 1472 CG GLU A 86 -7.674 -10.330 -6.923 1.00 61.31 C ATOM 1473 CD GLU A 86 -8.199 -9.170 -7.768 1.00 51.24 C ATOM 1474 OE1 GLU A 86 -8.056 -9.256 -9.008 1.00 61.21 O ATOM 1475 OE2 GLU A 86 -8.716 -8.202 -7.166 1.00 12.13 O1- ATOM 0 H GLU A 86 -6.597 -11.047 -4.604 1.00 40.40 H new ATOM 0 HA GLU A 86 -9.141 -12.495 -4.560 1.00 12.40 H new ATOM 0 HB2 GLU A 86 -9.610 -11.206 -6.577 1.00 41.14 H new ATOM 0 HB3 GLU A 86 -9.071 -10.138 -5.297 1.00 41.14 H new ATOM 0 HG2 GLU A 86 -6.826 -9.987 -6.331 1.00 61.31 H new ATOM 0 HG3 GLU A 86 -7.305 -11.115 -7.583 1.00 61.31 H new ATOM 1482 N GLY A 87 -6.886 -14.126 -5.613 1.00 52.41 N ATOM 1483 CA GLY A 87 -6.413 -15.357 -6.253 1.00 62.21 C ATOM 1484 C GLY A 87 -5.630 -15.124 -7.557 1.00 53.52 C ATOM 1485 O GLY A 87 -5.303 -16.103 -8.227 1.00 50.23 O ATOM 0 H GLY A 87 -6.333 -13.879 -4.792 1.00 52.41 H new ATOM 0 HA2 GLY A 87 -5.778 -15.898 -5.552 1.00 62.21 H new ATOM 0 HA3 GLY A 87 -7.270 -15.996 -6.465 1.00 62.21 H new ATOM 1489 N ASP A 88 -5.348 -13.862 -7.928 1.00 71.04 N ATOM 1490 CA ASP A 88 -4.850 -13.474 -9.249 1.00 30.21 C ATOM 1491 C ASP A 88 -3.629 -12.545 -9.090 1.00 42.45 C ATOM 1492 O ASP A 88 -3.613 -11.465 -9.679 1.00 71.24 O ATOM 1493 CB ASP A 88 -6.007 -12.831 -10.062 1.00 73.41 C ATOM 1494 CG ASP A 88 -5.732 -12.668 -11.561 1.00 71.32 C ATOM 1495 OD1 ASP A 88 -5.261 -13.654 -12.168 1.00 25.20 O ATOM 1496 OD2 ASP A 88 -6.084 -11.589 -12.089 1.00 54.44 O1- ATOM 0 H ASP A 88 -5.465 -13.068 -7.298 1.00 71.04 H new ATOM 0 HA ASP A 88 -4.510 -14.346 -9.808 1.00 30.21 H new ATOM 0 HB2 ASP A 88 -6.902 -13.440 -9.936 1.00 73.41 H new ATOM 0 HB3 ASP A 88 -6.227 -11.851 -9.639 1.00 73.41 H new ATOM 1501 N ASN A 89 -2.640 -12.966 -8.270 1.00 55.11 N ATOM 1502 CA ASN A 89 -1.420 -12.235 -7.854 1.00 54.15 C ATOM 1503 C ASN A 89 -1.617 -10.740 -7.517 1.00 13.15 C ATOM 1504 O ASN A 89 -0.756 -9.913 -7.821 1.00 32.05 O ATOM 1505 CB ASN A 89 -0.184 -12.545 -8.755 1.00 72.33 C ATOM 1506 CG ASN A 89 -0.339 -12.430 -10.279 1.00 34.24 C ATOM 1507 OD1 ASN A 89 0.118 -13.308 -11.009 1.00 23.44 O ATOM 1508 ND2 ASN A 89 -0.934 -11.349 -10.784 1.00 72.24 N ATOM 0 H ASN A 89 -2.676 -13.895 -7.850 1.00 55.11 H new ATOM 0 HA ASN A 89 -1.178 -12.655 -6.878 1.00 54.15 H new ATOM 0 HB2 ASN A 89 0.622 -11.877 -8.453 1.00 72.33 H new ATOM 0 HB3 ASN A 89 0.143 -13.560 -8.531 1.00 72.33 H new ATOM 0 HD21 ASN A 89 -1.017 -11.238 -11.795 1.00 72.24 H new ATOM 0 HD22 ASN A 89 -1.306 -10.633 -10.160 1.00 72.24 H new ATOM 1515 N LYS A 90 -2.775 -10.432 -6.916 1.00 70.41 N ATOM 1516 CA LYS A 90 -3.264 -9.090 -6.637 1.00 43.31 C ATOM 1517 C LYS A 90 -3.866 -9.093 -5.231 1.00 61.44 C ATOM 1518 O LYS A 90 -4.781 -9.874 -4.971 1.00 11.11 O ATOM 1519 CB LYS A 90 -4.314 -8.693 -7.705 1.00 43.14 C ATOM 1520 CG LYS A 90 -3.710 -8.295 -9.066 1.00 44.14 C ATOM 1521 CD LYS A 90 -4.696 -8.391 -10.241 1.00 4.11 C ATOM 1522 CE LYS A 90 -5.754 -7.283 -10.261 1.00 2.42 C ATOM 1523 NZ LYS A 90 -6.770 -7.561 -11.289 1.00 43.54 N1+ ATOM 0 H LYS A 90 -3.422 -11.154 -6.599 1.00 70.41 H new ATOM 0 HA LYS A 90 -2.458 -8.358 -6.679 1.00 43.31 H new ATOM 0 HB2 LYS A 90 -4.998 -9.528 -7.854 1.00 43.14 H new ATOM 0 HB3 LYS A 90 -4.906 -7.860 -7.325 1.00 43.14 H new ATOM 0 HG2 LYS A 90 -3.337 -7.273 -9.001 1.00 44.14 H new ATOM 0 HG3 LYS A 90 -2.852 -8.935 -9.272 1.00 44.14 H new ATOM 0 HD2 LYS A 90 -4.135 -8.360 -11.175 1.00 4.11 H new ATOM 0 HD3 LYS A 90 -5.198 -9.358 -10.202 1.00 4.11 H new ATOM 0 HE2 LYS A 90 -6.229 -7.207 -9.283 1.00 2.42 H new ATOM 0 HE3 LYS A 90 -5.280 -6.322 -10.460 1.00 2.42 H new ATOM 0 HZ1 LYS A 90 -7.199 -6.667 -11.603 1.00 43.54 H new ATOM 0 HZ2 LYS A 90 -6.323 -8.034 -12.100 1.00 43.54 H new ATOM 0 HZ3 LYS A 90 -7.507 -8.178 -10.891 1.00 43.54 H new ATOM 1537 N LEU A 91 -3.349 -8.215 -4.358 1.00 54.14 N ATOM 1538 CA LEU A 91 -3.920 -7.978 -3.033 1.00 71.14 C ATOM 1539 C LEU A 91 -5.000 -6.891 -3.125 1.00 73.50 C ATOM 1540 O LEU A 91 -4.918 -6.017 -3.988 1.00 41.45 O ATOM 1541 CB LEU A 91 -2.831 -7.564 -2.020 1.00 34.10 C ATOM 1542 CG LEU A 91 -1.696 -8.586 -1.790 1.00 33.12 C ATOM 1543 CD1 LEU A 91 -0.461 -7.926 -1.148 1.00 43.11 C ATOM 1544 CD2 LEU A 91 -2.158 -9.812 -0.982 1.00 11.33 C ATOM 0 H LEU A 91 -2.522 -7.651 -4.556 1.00 54.14 H new ATOM 0 HA LEU A 91 -4.368 -8.907 -2.679 1.00 71.14 H new ATOM 0 HB2 LEU A 91 -2.387 -6.627 -2.357 1.00 34.10 H new ATOM 0 HB3 LEU A 91 -3.311 -7.363 -1.062 1.00 34.10 H new ATOM 0 HG LEU A 91 -1.406 -8.951 -2.775 1.00 33.12 H new ATOM 0 HD11 LEU A 91 0.317 -8.675 -1.001 1.00 43.11 H new ATOM 0 HD12 LEU A 91 -0.088 -7.139 -1.803 1.00 43.11 H new ATOM 0 HD13 LEU A 91 -0.737 -7.496 -0.185 1.00 43.11 H new ATOM 0 HD21 LEU A 91 -1.321 -10.497 -0.850 1.00 11.33 H new ATOM 0 HD22 LEU A 91 -2.520 -9.489 -0.006 1.00 11.33 H new ATOM 0 HD23 LEU A 91 -2.961 -10.319 -1.517 1.00 11.33 H new ATOM 1556 N VAL A 92 -5.974 -6.961 -2.211 1.00 32.00 N ATOM 1557 CA VAL A 92 -7.049 -5.987 -2.060 1.00 22.23 C ATOM 1558 C VAL A 92 -7.158 -5.634 -0.569 1.00 44.13 C ATOM 1559 O VAL A 92 -7.097 -6.529 0.274 1.00 43.41 O ATOM 1560 CB VAL A 92 -8.417 -6.565 -2.533 1.00 73.14 C ATOM 1561 CG1 VAL A 92 -9.609 -5.607 -2.312 1.00 43.24 C ATOM 1562 CG2 VAL A 92 -8.377 -6.994 -4.013 1.00 33.22 C ATOM 0 H VAL A 92 -6.033 -7.724 -1.536 1.00 32.00 H new ATOM 0 HA VAL A 92 -6.820 -5.113 -2.669 1.00 22.23 H new ATOM 0 HB VAL A 92 -8.579 -7.439 -1.903 1.00 73.14 H new ATOM 0 HG11 VAL A 92 -10.526 -6.079 -2.666 1.00 43.24 H new ATOM 0 HG12 VAL A 92 -9.703 -5.382 -1.250 1.00 43.24 H new ATOM 0 HG13 VAL A 92 -9.440 -4.683 -2.865 1.00 43.24 H new ATOM 0 HG21 VAL A 92 -9.350 -7.391 -4.303 1.00 33.22 H new ATOM 0 HG22 VAL A 92 -8.137 -6.132 -4.635 1.00 33.22 H new ATOM 0 HG23 VAL A 92 -7.616 -7.763 -4.149 1.00 33.22 H new ATOM 1572 N THR A 93 -7.370 -4.347 -0.271 1.00 63.53 N ATOM 1573 CA THR A 93 -7.716 -3.876 1.066 1.00 13.43 C ATOM 1574 C THR A 93 -8.484 -2.545 0.965 1.00 2.45 C ATOM 1575 O THR A 93 -8.522 -1.930 -0.100 1.00 12.21 O ATOM 1576 CB THR A 93 -6.473 -3.772 2.005 1.00 65.32 C ATOM 1577 OG1 THR A 93 -6.851 -3.532 3.348 1.00 23.40 O ATOM 1578 CG2 THR A 93 -5.448 -2.687 1.645 1.00 32.30 C ATOM 0 H THR A 93 -7.304 -3.599 -0.962 1.00 63.53 H new ATOM 0 HA THR A 93 -8.367 -4.617 1.530 1.00 13.43 H new ATOM 0 HB THR A 93 -5.998 -4.744 1.870 1.00 65.32 H new ATOM 0 HG1 THR A 93 -7.226 -4.351 3.734 1.00 23.40 H new ATOM 0 HG21 THR A 93 -4.629 -2.707 2.364 1.00 32.30 H new ATOM 0 HG22 THR A 93 -5.057 -2.873 0.645 1.00 32.30 H new ATOM 0 HG23 THR A 93 -5.929 -1.709 1.670 1.00 32.30 H new ATOM 1586 N THR A 94 -9.124 -2.150 2.069 1.00 31.54 N ATOM 1587 CA THR A 94 -9.873 -0.900 2.202 1.00 61.25 C ATOM 1588 C THR A 94 -9.579 -0.299 3.594 1.00 52.21 C ATOM 1589 O THR A 94 -8.768 -0.857 4.334 1.00 72.24 O ATOM 1590 CB THR A 94 -11.412 -1.120 2.020 1.00 73.32 C ATOM 1591 OG1 THR A 94 -11.668 -2.066 0.999 1.00 22.12 O ATOM 1592 CG2 THR A 94 -12.201 0.139 1.605 1.00 71.41 C ATOM 0 H THR A 94 -9.135 -2.710 2.921 1.00 31.54 H new ATOM 0 HA THR A 94 -9.555 -0.215 1.416 1.00 61.25 H new ATOM 0 HB THR A 94 -11.740 -1.445 3.007 1.00 73.32 H new ATOM 0 HG1 THR A 94 -12.635 -2.190 0.903 1.00 22.12 H new ATOM 0 HG21 THR A 94 -13.257 -0.111 1.503 1.00 71.41 H new ATOM 0 HG22 THR A 94 -12.082 0.910 2.366 1.00 71.41 H new ATOM 0 HG23 THR A 94 -11.822 0.508 0.652 1.00 71.41 H new ATOM 1600 N PHE A 95 -10.226 0.817 3.942 1.00 12.34 N ATOM 1601 CA PHE A 95 -10.291 1.342 5.302 1.00 32.24 C ATOM 1602 C PHE A 95 -11.752 1.753 5.531 1.00 42.34 C ATOM 1603 O PHE A 95 -12.599 0.870 5.661 1.00 52.11 O ATOM 1604 CB PHE A 95 -9.254 2.473 5.522 1.00 51.52 C ATOM 1605 CG PHE A 95 -7.799 2.049 5.434 1.00 14.51 C ATOM 1606 CD1 PHE A 95 -7.172 1.396 6.518 1.00 42.12 C ATOM 1607 CD2 PHE A 95 -7.103 2.168 4.212 1.00 64.50 C ATOM 1608 CE1 PHE A 95 -5.859 0.960 6.395 1.00 24.11 C ATOM 1609 CE2 PHE A 95 -5.792 1.728 4.111 1.00 31.44 C ATOM 1610 CZ PHE A 95 -5.169 1.140 5.203 1.00 4.31 C ATOM 0 H PHE A 95 -10.730 1.392 3.267 1.00 12.34 H new ATOM 0 HA PHE A 95 -10.013 0.599 6.049 1.00 32.24 H new ATOM 0 HB2 PHE A 95 -9.432 3.255 4.784 1.00 51.52 H new ATOM 0 HB3 PHE A 95 -9.427 2.916 6.503 1.00 51.52 H new ATOM 0 HD1 PHE A 95 -7.712 1.236 7.440 1.00 42.12 H new ATOM 0 HD2 PHE A 95 -7.593 2.603 3.353 1.00 64.50 H new ATOM 0 HE1 PHE A 95 -5.372 0.479 7.230 1.00 24.11 H new ATOM 0 HE2 PHE A 95 -5.255 1.843 3.181 1.00 31.44 H new ATOM 0 HZ PHE A 95 -4.140 0.820 5.125 1.00 4.31 H new ATOM 1620 N LYS A 96 -12.023 3.067 5.542 1.00 53.44 N ATOM 1621 CA LYS A 96 -13.363 3.641 5.649 1.00 45.34 C ATOM 1622 C LYS A 96 -13.846 4.185 4.295 1.00 4.11 C ATOM 1623 O LYS A 96 -15.020 4.028 3.969 1.00 13.52 O ATOM 1624 CB LYS A 96 -13.340 4.775 6.695 1.00 23.43 C ATOM 1625 CG LYS A 96 -13.025 4.282 8.118 1.00 21.04 C ATOM 1626 CD LYS A 96 -12.972 5.427 9.138 1.00 75.14 C ATOM 1627 CE LYS A 96 -12.665 4.927 10.557 1.00 20.32 C ATOM 1628 NZ LYS A 96 -12.594 6.043 11.514 1.00 11.43 N1+ ATOM 0 H LYS A 96 -11.292 3.775 5.475 1.00 53.44 H new ATOM 0 HA LYS A 96 -14.056 2.859 5.959 1.00 45.34 H new ATOM 0 HB2 LYS A 96 -12.596 5.516 6.401 1.00 23.43 H new ATOM 0 HB3 LYS A 96 -14.307 5.278 6.698 1.00 23.43 H new ATOM 0 HG2 LYS A 96 -13.782 3.561 8.425 1.00 21.04 H new ATOM 0 HG3 LYS A 96 -12.069 3.758 8.114 1.00 21.04 H new ATOM 0 HD2 LYS A 96 -12.210 6.146 8.835 1.00 75.14 H new ATOM 0 HD3 LYS A 96 -13.926 5.955 9.139 1.00 75.14 H new ATOM 0 HE2 LYS A 96 -13.436 4.224 10.872 1.00 20.32 H new ATOM 0 HE3 LYS A 96 -11.720 4.384 10.557 1.00 20.32 H new ATOM 0 HZ1 LYS A 96 -12.385 5.673 12.463 1.00 11.43 H new ATOM 0 HZ2 LYS A 96 -11.842 6.701 11.225 1.00 11.43 H new ATOM 0 HZ3 LYS A 96 -13.505 6.545 11.530 1.00 11.43 H new ATOM 1642 N ASN A 97 -12.932 4.827 3.549 1.00 10.42 N ATOM 1643 CA ASN A 97 -13.224 5.605 2.342 1.00 75.11 C ATOM 1644 C ASN A 97 -12.069 5.580 1.322 1.00 61.01 C ATOM 1645 O ASN A 97 -12.151 6.291 0.320 1.00 22.13 O ATOM 1646 CB ASN A 97 -13.645 7.052 2.731 1.00 25.42 C ATOM 1647 CG ASN A 97 -12.552 7.908 3.399 1.00 61.20 C ATOM 1648 OD1 ASN A 97 -11.771 7.424 4.218 1.00 11.33 O ATOM 1649 ND2 ASN A 97 -12.505 9.197 3.065 1.00 5.41 N ATOM 0 H ASN A 97 -11.939 4.816 3.780 1.00 10.42 H new ATOM 0 HA ASN A 97 -14.063 5.132 1.832 1.00 75.11 H new ATOM 0 HB2 ASN A 97 -13.985 7.566 1.832 1.00 25.42 H new ATOM 0 HB3 ASN A 97 -14.498 6.993 3.406 1.00 25.42 H new ATOM 0 HD21 ASN A 97 -11.809 9.809 3.491 1.00 5.41 H new ATOM 0 HD22 ASN A 97 -13.165 9.572 2.383 1.00 5.41 H new ATOM 1656 N ILE A 98 -11.019 4.785 1.598 1.00 61.54 N ATOM 1657 CA ILE A 98 -9.821 4.681 0.774 1.00 2.05 C ATOM 1658 C ILE A 98 -9.639 3.201 0.404 1.00 35.23 C ATOM 1659 O ILE A 98 -9.276 2.404 1.271 1.00 55.31 O ATOM 1660 CB ILE A 98 -8.542 5.184 1.515 1.00 14.22 C ATOM 1661 CG1 ILE A 98 -8.727 6.610 2.084 1.00 63.21 C ATOM 1662 CG2 ILE A 98 -7.293 5.129 0.605 1.00 52.21 C ATOM 1663 CD1 ILE A 98 -7.558 7.115 2.942 1.00 5.42 C ATOM 0 H ILE A 98 -10.989 4.186 2.423 1.00 61.54 H new ATOM 0 HA ILE A 98 -9.949 5.310 -0.107 1.00 2.05 H new ATOM 0 HB ILE A 98 -8.384 4.504 2.352 1.00 14.22 H new ATOM 0 HG12 ILE A 98 -8.876 7.301 1.254 1.00 63.21 H new ATOM 0 HG13 ILE A 98 -9.637 6.632 2.684 1.00 63.21 H new ATOM 0 HG21 ILE A 98 -6.424 5.487 1.157 1.00 52.21 H new ATOM 0 HG22 ILE A 98 -7.121 4.101 0.285 1.00 52.21 H new ATOM 0 HG23 ILE A 98 -7.452 5.760 -0.270 1.00 52.21 H new ATOM 0 HD11 ILE A 98 -7.776 8.122 3.297 1.00 5.42 H new ATOM 0 HD12 ILE A 98 -7.420 6.451 3.795 1.00 5.42 H new ATOM 0 HD13 ILE A 98 -6.647 7.131 2.343 1.00 5.42 H new ATOM 1675 N LYS A 99 -9.897 2.859 -0.870 1.00 53.13 N ATOM 1676 CA LYS A 99 -9.629 1.523 -1.412 1.00 15.10 C ATOM 1677 C LYS A 99 -8.135 1.381 -1.764 1.00 10.35 C ATOM 1678 O LYS A 99 -7.417 2.378 -1.849 1.00 24.53 O ATOM 1679 CB LYS A 99 -10.534 1.251 -2.638 1.00 51.34 C ATOM 1680 CG LYS A 99 -10.792 -0.254 -2.878 1.00 22.43 C ATOM 1681 CD LYS A 99 -11.494 -0.574 -4.205 1.00 32.12 C ATOM 1682 CE LYS A 99 -11.708 -2.087 -4.375 1.00 42.11 C ATOM 1683 NZ LYS A 99 -12.292 -2.412 -5.687 1.00 33.01 N1+ ATOM 0 H LYS A 99 -10.298 3.504 -1.551 1.00 53.13 H new ATOM 0 HA LYS A 99 -9.864 0.775 -0.655 1.00 15.10 H new ATOM 0 HB2 LYS A 99 -11.488 1.759 -2.498 1.00 51.34 H new ATOM 0 HB3 LYS A 99 -10.071 1.681 -3.526 1.00 51.34 H new ATOM 0 HG2 LYS A 99 -9.839 -0.783 -2.849 1.00 22.43 H new ATOM 0 HG3 LYS A 99 -11.397 -0.642 -2.058 1.00 22.43 H new ATOM 0 HD2 LYS A 99 -12.456 -0.062 -4.242 1.00 32.12 H new ATOM 0 HD3 LYS A 99 -10.898 -0.194 -5.035 1.00 32.12 H new ATOM 0 HE2 LYS A 99 -10.755 -2.604 -4.263 1.00 42.11 H new ATOM 0 HE3 LYS A 99 -12.364 -2.453 -3.585 1.00 42.11 H new ATOM 0 HZ1 LYS A 99 -12.421 -3.441 -5.764 1.00 33.01 H new ATOM 0 HZ2 LYS A 99 -13.213 -1.939 -5.784 1.00 33.01 H new ATOM 0 HZ3 LYS A 99 -11.655 -2.086 -6.441 1.00 33.01 H new ATOM 1697 N SER A 100 -7.707 0.130 -1.970 1.00 21.55 N ATOM 1698 CA SER A 100 -6.372 -0.263 -2.391 1.00 50.10 C ATOM 1699 C SER A 100 -6.472 -1.599 -3.143 1.00 4.35 C ATOM 1700 O SER A 100 -7.133 -2.522 -2.670 1.00 70.42 O ATOM 1701 CB SER A 100 -5.445 -0.320 -1.163 1.00 11.03 C ATOM 1702 OG SER A 100 -4.145 -0.767 -1.492 1.00 24.44 O ATOM 0 H SER A 100 -8.322 -0.673 -1.838 1.00 21.55 H new ATOM 0 HA SER A 100 -5.936 0.465 -3.075 1.00 50.10 H new ATOM 0 HB2 SER A 100 -5.383 0.670 -0.711 1.00 11.03 H new ATOM 0 HB3 SER A 100 -5.877 -0.985 -0.415 1.00 11.03 H new ATOM 0 HG SER A 100 -3.591 -0.786 -0.684 1.00 24.44 H new ATOM 1708 N VAL A 101 -5.803 -1.663 -4.301 1.00 45.05 N ATOM 1709 CA VAL A 101 -5.657 -2.845 -5.140 1.00 23.22 C ATOM 1710 C VAL A 101 -4.202 -2.857 -5.642 1.00 63.20 C ATOM 1711 O VAL A 101 -3.839 -2.059 -6.508 1.00 62.11 O ATOM 1712 CB VAL A 101 -6.634 -2.859 -6.354 1.00 2.42 C ATOM 1713 CG1 VAL A 101 -6.422 -4.073 -7.288 1.00 0.50 C ATOM 1714 CG2 VAL A 101 -8.108 -2.817 -5.908 1.00 60.44 C ATOM 0 H VAL A 101 -5.328 -0.849 -4.692 1.00 45.05 H new ATOM 0 HA VAL A 101 -5.900 -3.729 -4.551 1.00 23.22 H new ATOM 0 HB VAL A 101 -6.401 -1.954 -6.915 1.00 2.42 H new ATOM 0 HG11 VAL A 101 -7.132 -4.025 -8.114 1.00 0.50 H new ATOM 0 HG12 VAL A 101 -5.406 -4.056 -7.682 1.00 0.50 H new ATOM 0 HG13 VAL A 101 -6.578 -4.995 -6.728 1.00 0.50 H new ATOM 0 HG21 VAL A 101 -8.754 -2.828 -6.786 1.00 60.44 H new ATOM 0 HG22 VAL A 101 -8.325 -3.686 -5.286 1.00 60.44 H new ATOM 0 HG23 VAL A 101 -8.289 -1.907 -5.336 1.00 60.44 H new ATOM 1724 N THR A 102 -3.399 -3.760 -5.066 1.00 1.42 N ATOM 1725 CA THR A 102 -2.015 -4.026 -5.461 1.00 32.21 C ATOM 1726 C THR A 102 -1.986 -5.101 -6.564 1.00 75.43 C ATOM 1727 O THR A 102 -2.903 -5.919 -6.634 1.00 20.23 O ATOM 1728 CB THR A 102 -1.203 -4.568 -4.254 1.00 51.52 C ATOM 1729 OG1 THR A 102 -1.313 -3.670 -3.165 1.00 54.43 O ATOM 1730 CG2 THR A 102 0.300 -4.809 -4.498 1.00 34.32 C ATOM 0 H THR A 102 -3.707 -4.343 -4.288 1.00 1.42 H new ATOM 0 HA THR A 102 -1.580 -3.093 -5.818 1.00 32.21 H new ATOM 0 HB THR A 102 -1.645 -5.545 -4.057 1.00 51.52 H new ATOM 0 HG1 THR A 102 -0.801 -4.015 -2.404 1.00 54.43 H new ATOM 0 HG21 THR A 102 0.761 -5.187 -3.585 1.00 34.32 H new ATOM 0 HG22 THR A 102 0.426 -5.539 -5.297 1.00 34.32 H new ATOM 0 HG23 THR A 102 0.777 -3.872 -4.784 1.00 34.32 H new ATOM 1738 N GLU A 103 -0.925 -5.093 -7.381 1.00 20.12 N ATOM 1739 CA GLU A 103 -0.639 -6.111 -8.387 1.00 73.42 C ATOM 1740 C GLU A 103 0.857 -6.443 -8.342 1.00 13.32 C ATOM 1741 O GLU A 103 1.676 -5.539 -8.181 1.00 20.43 O ATOM 1742 CB GLU A 103 -1.056 -5.578 -9.775 1.00 53.31 C ATOM 1743 CG GLU A 103 -0.825 -6.535 -10.960 1.00 32.21 C ATOM 1744 CD GLU A 103 -1.106 -5.842 -12.291 1.00 32.03 C ATOM 1745 OE1 GLU A 103 -2.263 -5.939 -12.753 1.00 65.33 O ATOM 1746 OE2 GLU A 103 -0.154 -5.222 -12.815 1.00 34.52 O1- ATOM 0 H GLU A 103 -0.223 -4.353 -7.355 1.00 20.12 H new ATOM 0 HA GLU A 103 -1.202 -7.023 -8.188 1.00 73.42 H new ATOM 0 HB2 GLU A 103 -2.115 -5.321 -9.741 1.00 53.31 H new ATOM 0 HB3 GLU A 103 -0.510 -4.654 -9.967 1.00 53.31 H new ATOM 0 HG2 GLU A 103 0.203 -6.896 -10.945 1.00 32.21 H new ATOM 0 HG3 GLU A 103 -1.470 -7.407 -10.858 1.00 32.21 H new ATOM 1753 N LEU A 104 1.163 -7.727 -8.554 1.00 42.30 N ATOM 1754 CA LEU A 104 2.488 -8.263 -8.843 1.00 11.24 C ATOM 1755 C LEU A 104 2.387 -8.952 -10.208 1.00 73.12 C ATOM 1756 O LEU A 104 1.644 -9.921 -10.325 1.00 4.51 O ATOM 1757 CB LEU A 104 2.878 -9.254 -7.718 1.00 54.01 C ATOM 1758 CG LEU A 104 4.089 -10.177 -7.994 1.00 32.33 C ATOM 1759 CD1 LEU A 104 5.396 -9.379 -8.122 1.00 75.11 C ATOM 1760 CD2 LEU A 104 4.210 -11.269 -6.916 1.00 4.54 C ATOM 0 H LEU A 104 0.451 -8.456 -8.526 1.00 42.30 H new ATOM 0 HA LEU A 104 3.259 -7.493 -8.879 1.00 11.24 H new ATOM 0 HB2 LEU A 104 3.087 -8.679 -6.816 1.00 54.01 H new ATOM 0 HB3 LEU A 104 2.013 -9.882 -7.503 1.00 54.01 H new ATOM 0 HG LEU A 104 3.913 -10.666 -8.952 1.00 32.33 H new ATOM 0 HD11 LEU A 104 6.222 -10.063 -8.315 1.00 75.11 H new ATOM 0 HD12 LEU A 104 5.311 -8.671 -8.946 1.00 75.11 H new ATOM 0 HD13 LEU A 104 5.583 -8.837 -7.195 1.00 75.11 H new ATOM 0 HD21 LEU A 104 5.069 -11.903 -7.135 1.00 4.54 H new ATOM 0 HD22 LEU A 104 4.342 -10.803 -5.939 1.00 4.54 H new ATOM 0 HD23 LEU A 104 3.304 -11.875 -6.909 1.00 4.54 H new ATOM 1772 N ASN A 105 3.139 -8.462 -11.204 1.00 34.14 N ATOM 1773 CA ASN A 105 3.281 -9.066 -12.533 1.00 71.15 C ATOM 1774 C ASN A 105 4.784 -9.204 -12.796 1.00 24.52 C ATOM 1775 O ASN A 105 5.389 -8.312 -13.392 1.00 10.23 O ATOM 1776 CB ASN A 105 2.570 -8.175 -13.592 1.00 53.44 C ATOM 1777 CG ASN A 105 1.074 -8.439 -13.826 1.00 71.14 C ATOM 1778 OD1 ASN A 105 0.560 -8.098 -14.887 1.00 72.43 O ATOM 1779 ND2 ASN A 105 0.355 -9.041 -12.876 1.00 74.43 N ATOM 0 H ASN A 105 3.683 -7.605 -11.101 1.00 34.14 H new ATOM 0 HA ASN A 105 2.812 -10.048 -12.592 1.00 71.15 H new ATOM 0 HB2 ASN A 105 2.689 -7.133 -13.295 1.00 53.44 H new ATOM 0 HB3 ASN A 105 3.089 -8.297 -14.543 1.00 53.44 H new ATOM 0 HD21 ASN A 105 -0.637 -9.224 -13.026 1.00 74.43 H new ATOM 0 HD22 ASN A 105 0.798 -9.318 -12.000 1.00 74.43 H new ATOM 1786 N GLY A 106 5.358 -10.331 -12.340 1.00 41.51 N ATOM 1787 CA GLY A 106 6.771 -10.665 -12.523 1.00 24.53 C ATOM 1788 C GLY A 106 7.623 -9.800 -11.589 1.00 44.41 C ATOM 1789 O GLY A 106 7.656 -10.041 -10.384 1.00 71.31 O ATOM 0 H GLY A 106 4.840 -11.044 -11.826 1.00 41.51 H new ATOM 0 HA2 GLY A 106 6.937 -11.721 -12.311 1.00 24.53 H new ATOM 0 HA3 GLY A 106 7.064 -10.498 -13.559 1.00 24.53 H new ATOM 1793 N ASP A 107 8.318 -8.810 -12.169 1.00 35.04 N ATOM 1794 CA ASP A 107 9.083 -7.776 -11.463 1.00 74.01 C ATOM 1795 C ASP A 107 8.288 -6.465 -11.289 1.00 4.24 C ATOM 1796 O ASP A 107 8.672 -5.657 -10.443 1.00 62.20 O ATOM 1797 CB ASP A 107 10.449 -7.454 -12.127 1.00 2.23 C ATOM 1798 CG ASP A 107 10.504 -7.272 -13.648 1.00 32.02 C ATOM 1799 OD1 ASP A 107 11.631 -6.991 -14.112 1.00 52.24 O ATOM 1800 OD2 ASP A 107 9.458 -7.376 -14.323 1.00 30.24 O1- ATOM 0 H ASP A 107 8.363 -8.705 -13.183 1.00 35.04 H new ATOM 0 HA ASP A 107 9.276 -8.210 -10.482 1.00 74.01 H new ATOM 0 HB2 ASP A 107 10.831 -6.541 -11.671 1.00 2.23 H new ATOM 0 HB3 ASP A 107 11.141 -8.255 -11.865 1.00 2.23 H new ATOM 1805 N ILE A 108 7.237 -6.260 -12.099 1.00 2.50 N ATOM 1806 CA ILE A 108 6.442 -5.033 -12.129 1.00 64.11 C ATOM 1807 C ILE A 108 5.420 -5.046 -10.977 1.00 2.11 C ATOM 1808 O ILE A 108 4.743 -6.058 -10.782 1.00 22.32 O ATOM 1809 CB ILE A 108 5.658 -4.880 -13.469 1.00 55.52 C ATOM 1810 CG1 ILE A 108 6.534 -5.129 -14.720 1.00 22.44 C ATOM 1811 CG2 ILE A 108 4.929 -3.521 -13.582 1.00 22.33 C ATOM 1812 CD1 ILE A 108 7.811 -4.277 -14.807 1.00 60.45 C ATOM 0 H ILE A 108 6.913 -6.962 -12.764 1.00 2.50 H new ATOM 0 HA ILE A 108 7.135 -4.198 -12.028 1.00 64.11 H new ATOM 0 HB ILE A 108 4.902 -5.665 -13.440 1.00 55.52 H new ATOM 0 HG12 ILE A 108 6.817 -6.181 -14.742 1.00 22.44 H new ATOM 0 HG13 ILE A 108 5.931 -4.942 -15.609 1.00 22.44 H new ATOM 0 HG21 ILE A 108 4.400 -3.470 -14.534 1.00 22.33 H new ATOM 0 HG22 ILE A 108 4.215 -3.422 -12.765 1.00 22.33 H new ATOM 0 HG23 ILE A 108 5.657 -2.712 -13.527 1.00 22.33 H new ATOM 0 HD11 ILE A 108 8.354 -4.527 -15.719 1.00 60.45 H new ATOM 0 HD12 ILE A 108 7.543 -3.221 -14.822 1.00 60.45 H new ATOM 0 HD13 ILE A 108 8.443 -4.479 -13.942 1.00 60.45 H new ATOM 1824 N ILE A 109 5.331 -3.924 -10.248 1.00 40.12 N ATOM 1825 CA ILE A 109 4.418 -3.747 -9.120 1.00 22.33 C ATOM 1826 C ILE A 109 3.507 -2.549 -9.429 1.00 1.23 C ATOM 1827 O ILE A 109 3.956 -1.408 -9.326 1.00 51.11 O ATOM 1828 CB ILE A 109 5.179 -3.465 -7.789 1.00 71.12 C ATOM 1829 CG1 ILE A 109 6.287 -4.496 -7.484 1.00 33.11 C ATOM 1830 CG2 ILE A 109 4.249 -3.298 -6.570 1.00 12.12 C ATOM 1831 CD1 ILE A 109 5.812 -5.949 -7.348 1.00 34.14 C ATOM 0 H ILE A 109 5.905 -3.101 -10.433 1.00 40.12 H new ATOM 0 HA ILE A 109 3.848 -4.667 -8.990 1.00 22.33 H new ATOM 0 HB ILE A 109 5.664 -2.504 -7.963 1.00 71.12 H new ATOM 0 HG12 ILE A 109 7.033 -4.448 -8.277 1.00 33.11 H new ATOM 0 HG13 ILE A 109 6.785 -4.206 -6.559 1.00 33.11 H new ATOM 0 HG21 ILE A 109 4.847 -3.104 -5.680 1.00 12.12 H new ATOM 0 HG22 ILE A 109 3.572 -2.461 -6.741 1.00 12.12 H new ATOM 0 HG23 ILE A 109 3.670 -4.210 -6.427 1.00 12.12 H new ATOM 0 HD11 ILE A 109 6.666 -6.592 -7.134 1.00 34.14 H new ATOM 0 HD12 ILE A 109 5.090 -6.021 -6.534 1.00 34.14 H new ATOM 0 HD13 ILE A 109 5.342 -6.267 -8.279 1.00 34.14 H new ATOM 1843 N THR A 110 2.252 -2.834 -9.814 1.00 33.21 N ATOM 1844 CA THR A 110 1.268 -1.819 -10.195 1.00 2.23 C ATOM 1845 C THR A 110 0.241 -1.632 -9.058 1.00 12.04 C ATOM 1846 O THR A 110 -0.699 -2.413 -8.927 1.00 75.51 O ATOM 1847 CB THR A 110 0.522 -2.193 -11.506 1.00 74.14 C ATOM 1848 OG1 THR A 110 1.447 -2.586 -12.502 1.00 72.01 O ATOM 1849 CG2 THR A 110 -0.331 -1.050 -12.079 1.00 2.10 C ATOM 0 H THR A 110 1.893 -3.787 -9.869 1.00 33.21 H new ATOM 0 HA THR A 110 1.809 -0.889 -10.370 1.00 2.23 H new ATOM 0 HB THR A 110 -0.147 -3.010 -11.236 1.00 74.14 H new ATOM 0 HG1 THR A 110 1.203 -3.471 -12.844 1.00 72.01 H new ATOM 0 HG21 THR A 110 -0.821 -1.385 -12.993 1.00 2.10 H new ATOM 0 HG22 THR A 110 -1.086 -0.758 -11.349 1.00 2.10 H new ATOM 0 HG23 THR A 110 0.308 -0.196 -12.302 1.00 2.10 H new ATOM 1857 N ASN A 111 0.467 -0.605 -8.228 1.00 1.30 N ATOM 1858 CA ASN A 111 -0.380 -0.247 -7.093 1.00 43.31 C ATOM 1859 C ASN A 111 -1.435 0.788 -7.522 1.00 23.34 C ATOM 1860 O ASN A 111 -1.127 1.651 -8.344 1.00 30.24 O ATOM 1861 CB ASN A 111 0.516 0.318 -5.967 1.00 72.52 C ATOM 1862 CG ASN A 111 -0.092 0.129 -4.576 1.00 11.42 C ATOM 1863 OD1 ASN A 111 -0.762 1.023 -4.064 1.00 15.41 O ATOM 1864 ND2 ASN A 111 0.138 -1.032 -3.963 1.00 44.55 N ATOM 0 H ASN A 111 1.270 0.015 -8.335 1.00 1.30 H new ATOM 0 HA ASN A 111 -0.907 -1.129 -6.729 1.00 43.31 H new ATOM 0 HB2 ASN A 111 1.489 -0.172 -6.003 1.00 72.52 H new ATOM 0 HB3 ASN A 111 0.687 1.380 -6.143 1.00 72.52 H new ATOM 0 HD21 ASN A 111 -0.248 -1.204 -3.034 1.00 44.55 H new ATOM 0 HD22 ASN A 111 0.700 -1.749 -4.422 1.00 44.55 H new ATOM 1871 N THR A 112 -2.647 0.685 -6.955 1.00 70.33 N ATOM 1872 CA THR A 112 -3.770 1.585 -7.222 1.00 53.43 C ATOM 1873 C THR A 112 -4.599 1.766 -5.939 1.00 64.33 C ATOM 1874 O THR A 112 -5.101 0.775 -5.420 1.00 23.24 O ATOM 1875 CB THR A 112 -4.713 1.027 -8.326 1.00 52.13 C ATOM 1876 OG1 THR A 112 -4.005 0.867 -9.538 1.00 1.20 O ATOM 1877 CG2 THR A 112 -5.943 1.905 -8.631 1.00 71.42 C ATOM 0 H THR A 112 -2.875 -0.047 -6.282 1.00 70.33 H new ATOM 0 HA THR A 112 -3.352 2.533 -7.562 1.00 53.43 H new ATOM 0 HB THR A 112 -5.073 0.080 -7.924 1.00 52.13 H new ATOM 0 HG1 THR A 112 -4.608 0.514 -10.225 1.00 1.20 H new ATOM 0 HG21 THR A 112 -6.540 1.435 -9.412 1.00 71.42 H new ATOM 0 HG22 THR A 112 -6.546 2.013 -7.729 1.00 71.42 H new ATOM 0 HG23 THR A 112 -5.614 2.888 -8.967 1.00 71.42 H new ATOM 1885 N MET A 113 -4.766 3.016 -5.484 1.00 51.12 N ATOM 1886 CA MET A 113 -5.645 3.406 -4.376 1.00 1.03 C ATOM 1887 C MET A 113 -6.793 4.284 -4.897 1.00 4.14 C ATOM 1888 O MET A 113 -6.684 4.819 -5.998 1.00 24.23 O ATOM 1889 CB MET A 113 -4.827 4.169 -3.314 1.00 21.14 C ATOM 1890 CG MET A 113 -3.841 3.283 -2.536 1.00 14.13 C ATOM 1891 SD MET A 113 -2.682 4.194 -1.478 1.00 42.25 S ATOM 1892 CE MET A 113 -3.817 4.966 -0.294 1.00 63.21 C ATOM 0 H MET A 113 -4.274 3.811 -5.893 1.00 51.12 H new ATOM 0 HA MET A 113 -6.072 2.512 -3.922 1.00 1.03 H new ATOM 0 HB2 MET A 113 -4.273 4.971 -3.802 1.00 21.14 H new ATOM 0 HB3 MET A 113 -5.513 4.639 -2.609 1.00 21.14 H new ATOM 0 HG2 MET A 113 -4.408 2.587 -1.917 1.00 14.13 H new ATOM 0 HG3 MET A 113 -3.271 2.685 -3.247 1.00 14.13 H new ATOM 0 HE1 MET A 113 -3.244 5.472 0.483 1.00 63.21 H new ATOM 0 HE2 MET A 113 -4.445 5.691 -0.812 1.00 63.21 H new ATOM 0 HE3 MET A 113 -4.446 4.200 0.160 1.00 63.21 H new ATOM 1902 N THR A 114 -7.869 4.427 -4.100 1.00 31.21 N ATOM 1903 CA THR A 114 -9.011 5.291 -4.425 1.00 32.02 C ATOM 1904 C THR A 114 -9.588 5.937 -3.152 1.00 0.44 C ATOM 1905 O THR A 114 -10.469 5.353 -2.522 1.00 11.44 O ATOM 1906 CB THR A 114 -10.154 4.547 -5.179 1.00 42.22 C ATOM 1907 OG1 THR A 114 -9.659 3.936 -6.353 1.00 43.55 O ATOM 1908 CG2 THR A 114 -11.336 5.450 -5.590 1.00 33.33 C ATOM 0 H THR A 114 -7.967 3.942 -3.208 1.00 31.21 H new ATOM 0 HA THR A 114 -8.619 6.057 -5.094 1.00 32.02 H new ATOM 0 HB THR A 114 -10.525 3.812 -4.464 1.00 42.22 H new ATOM 0 HG1 THR A 114 -10.389 3.472 -6.813 1.00 43.55 H new ATOM 0 HG21 THR A 114 -12.086 4.853 -6.109 1.00 33.33 H new ATOM 0 HG22 THR A 114 -11.779 5.897 -4.700 1.00 33.33 H new ATOM 0 HG23 THR A 114 -10.978 6.239 -6.252 1.00 33.33 H new ATOM 1916 N LEU A 115 -9.097 7.144 -2.821 1.00 10.34 N ATOM 1917 CA LEU A 115 -9.678 8.019 -1.802 1.00 5.52 C ATOM 1918 C LEU A 115 -10.743 8.907 -2.451 1.00 24.12 C ATOM 1919 O LEU A 115 -10.377 9.778 -3.240 1.00 22.44 O ATOM 1920 CB LEU A 115 -8.563 8.868 -1.144 1.00 61.42 C ATOM 1921 CG LEU A 115 -9.011 10.097 -0.302 1.00 64.31 C ATOM 1922 CD1 LEU A 115 -10.087 9.801 0.765 1.00 24.21 C ATOM 1923 CD2 LEU A 115 -7.799 10.799 0.311 1.00 4.21 C ATOM 0 H LEU A 115 -8.269 7.541 -3.266 1.00 10.34 H new ATOM 0 HA LEU A 115 -10.151 7.423 -1.021 1.00 5.52 H new ATOM 0 HB2 LEU A 115 -7.975 8.214 -0.501 1.00 61.42 H new ATOM 0 HB3 LEU A 115 -7.898 9.222 -1.932 1.00 61.42 H new ATOM 0 HG LEU A 115 -9.503 10.767 -1.008 1.00 64.31 H new ATOM 0 HD11 LEU A 115 -10.333 10.719 1.299 1.00 24.21 H new ATOM 0 HD12 LEU A 115 -10.983 9.412 0.280 1.00 24.21 H new ATOM 0 HD13 LEU A 115 -9.706 9.062 1.470 1.00 24.21 H new ATOM 0 HD21 LEU A 115 -8.132 11.656 0.896 1.00 4.21 H new ATOM 0 HD22 LEU A 115 -7.264 10.104 0.958 1.00 4.21 H new ATOM 0 HD23 LEU A 115 -7.135 11.139 -0.484 1.00 4.21 H new ATOM 1935 N GLY A 116 -12.012 8.707 -2.052 1.00 61.13 N ATOM 1936 CA GLY A 116 -13.157 9.546 -2.413 1.00 30.35 C ATOM 1937 C GLY A 116 -13.327 9.659 -3.934 1.00 51.00 C ATOM 1938 O GLY A 116 -13.834 8.739 -4.575 1.00 22.24 O ATOM 0 H GLY A 116 -12.272 7.927 -1.448 1.00 61.13 H new ATOM 0 HA2 GLY A 116 -14.065 9.129 -1.976 1.00 30.35 H new ATOM 0 HA3 GLY A 116 -13.026 10.541 -1.987 1.00 30.35 H new ATOM 1942 N ASP A 117 -12.911 10.812 -4.478 1.00 63.23 N ATOM 1943 CA ASP A 117 -13.002 11.203 -5.886 1.00 14.31 C ATOM 1944 C ASP A 117 -11.720 10.906 -6.702 1.00 43.04 C ATOM 1945 O ASP A 117 -11.785 11.009 -7.927 1.00 1.34 O ATOM 1946 CB ASP A 117 -13.374 12.706 -6.049 1.00 3.04 C ATOM 1947 CG ASP A 117 -12.540 13.718 -5.240 1.00 74.25 C ATOM 1948 OD1 ASP A 117 -12.133 14.724 -5.857 1.00 74.43 O ATOM 1949 OD2 ASP A 117 -12.370 13.513 -4.018 1.00 23.23 O1- ATOM 0 H ASP A 117 -12.476 11.538 -3.909 1.00 63.23 H new ATOM 0 HA ASP A 117 -13.801 10.582 -6.291 1.00 14.31 H new ATOM 0 HB2 ASP A 117 -13.291 12.964 -7.105 1.00 3.04 H new ATOM 0 HB3 ASP A 117 -14.421 12.829 -5.772 1.00 3.04 H new ATOM 1954 N ILE A 118 -10.585 10.593 -6.047 1.00 4.54 N ATOM 1955 CA ILE A 118 -9.259 10.569 -6.679 1.00 44.24 C ATOM 1956 C ILE A 118 -8.641 9.163 -6.602 1.00 5.21 C ATOM 1957 O ILE A 118 -8.438 8.642 -5.504 1.00 5.44 O ATOM 1958 CB ILE A 118 -8.278 11.580 -6.005 1.00 22.24 C ATOM 1959 CG1 ILE A 118 -8.857 13.012 -6.045 1.00 24.45 C ATOM 1960 CG2 ILE A 118 -6.867 11.566 -6.642 1.00 14.20 C ATOM 1961 CD1 ILE A 118 -8.082 14.045 -5.222 1.00 24.45 C ATOM 0 H ILE A 118 -10.567 10.348 -5.057 1.00 4.54 H new ATOM 0 HA ILE A 118 -9.405 10.855 -7.721 1.00 44.24 H new ATOM 0 HB ILE A 118 -8.169 11.258 -4.969 1.00 22.24 H new ATOM 0 HG12 ILE A 118 -8.890 13.346 -7.082 1.00 24.45 H new ATOM 0 HG13 ILE A 118 -9.886 12.982 -5.687 1.00 24.45 H new ATOM 0 HG21 ILE A 118 -6.230 12.289 -6.132 1.00 14.20 H new ATOM 0 HG22 ILE A 118 -6.434 10.570 -6.546 1.00 14.20 H new ATOM 0 HG23 ILE A 118 -6.941 11.829 -7.697 1.00 14.20 H new ATOM 0 HD11 ILE A 118 -8.564 15.018 -5.313 1.00 24.45 H new ATOM 0 HD12 ILE A 118 -8.071 13.742 -4.175 1.00 24.45 H new ATOM 0 HD13 ILE A 118 -7.059 14.111 -5.592 1.00 24.45 H new ATOM 1973 N VAL A 119 -8.321 8.608 -7.784 1.00 72.05 N ATOM 1974 CA VAL A 119 -7.689 7.301 -7.941 1.00 54.42 C ATOM 1975 C VAL A 119 -6.170 7.496 -8.152 1.00 43.45 C ATOM 1976 O VAL A 119 -5.738 7.752 -9.275 1.00 32.12 O ATOM 1977 CB VAL A 119 -8.279 6.510 -9.151 1.00 54.43 C ATOM 1978 CG1 VAL A 119 -7.682 5.094 -9.294 1.00 63.22 C ATOM 1979 CG2 VAL A 119 -9.810 6.393 -9.082 1.00 54.54 C ATOM 0 H VAL A 119 -8.502 9.073 -8.674 1.00 72.05 H new ATOM 0 HA VAL A 119 -7.882 6.723 -7.037 1.00 54.42 H new ATOM 0 HB VAL A 119 -8.000 7.096 -10.027 1.00 54.43 H new ATOM 0 HG11 VAL A 119 -8.132 4.595 -10.152 1.00 63.22 H new ATOM 0 HG12 VAL A 119 -6.604 5.167 -9.440 1.00 63.22 H new ATOM 0 HG13 VAL A 119 -7.888 4.519 -8.391 1.00 63.22 H new ATOM 0 HG21 VAL A 119 -10.172 5.835 -9.946 1.00 54.54 H new ATOM 0 HG22 VAL A 119 -10.094 5.872 -8.168 1.00 54.54 H new ATOM 0 HG23 VAL A 119 -10.252 7.390 -9.084 1.00 54.54 H new ATOM 1989 N PHE A 120 -5.391 7.379 -7.065 1.00 2.03 N ATOM 1990 CA PHE A 120 -3.925 7.383 -7.091 1.00 51.53 C ATOM 1991 C PHE A 120 -3.357 6.054 -7.627 1.00 21.53 C ATOM 1992 O PHE A 120 -3.940 5.012 -7.343 1.00 55.54 O ATOM 1993 CB PHE A 120 -3.405 7.712 -5.673 1.00 62.43 C ATOM 1994 CG PHE A 120 -1.898 7.647 -5.497 1.00 13.04 C ATOM 1995 CD1 PHE A 120 -1.087 8.630 -6.099 1.00 51.13 C ATOM 1996 CD2 PHE A 120 -1.284 6.537 -4.878 1.00 1.44 C ATOM 1997 CE1 PHE A 120 0.293 8.520 -6.043 1.00 44.00 C ATOM 1998 CE2 PHE A 120 0.101 6.459 -4.812 1.00 45.44 C ATOM 1999 CZ PHE A 120 0.884 7.454 -5.382 1.00 63.23 C ATOM 0 H PHE A 120 -5.774 7.277 -6.125 1.00 2.03 H new ATOM 0 HA PHE A 120 -3.578 8.151 -7.783 1.00 51.53 H new ATOM 0 HB2 PHE A 120 -3.742 8.714 -5.405 1.00 62.43 H new ATOM 0 HB3 PHE A 120 -3.866 7.021 -4.967 1.00 62.43 H new ATOM 0 HD1 PHE A 120 -1.541 9.469 -6.604 1.00 51.13 H new ATOM 0 HD2 PHE A 120 -1.891 5.749 -4.456 1.00 1.44 H new ATOM 0 HE1 PHE A 120 0.911 9.268 -6.517 1.00 44.00 H new ATOM 0 HE2 PHE A 120 0.570 5.622 -4.316 1.00 45.44 H new ATOM 0 HZ PHE A 120 1.960 7.397 -5.310 1.00 63.23 H new ATOM 2009 N LYS A 121 -2.224 6.103 -8.352 1.00 14.14 N ATOM 2010 CA LYS A 121 -1.448 4.913 -8.720 1.00 24.41 C ATOM 2011 C LYS A 121 0.051 5.137 -8.471 1.00 1.12 C ATOM 2012 O LYS A 121 0.527 6.272 -8.541 1.00 5.40 O ATOM 2013 CB LYS A 121 -1.657 4.499 -10.197 1.00 61.44 C ATOM 2014 CG LYS A 121 -3.058 4.008 -10.606 1.00 13.52 C ATOM 2015 CD LYS A 121 -4.063 5.111 -10.988 1.00 1.43 C ATOM 2016 CE LYS A 121 -5.195 4.628 -11.905 1.00 11.33 C ATOM 2017 NZ LYS A 121 -4.692 4.321 -13.257 1.00 31.52 N1+ ATOM 0 H LYS A 121 -1.823 6.974 -8.698 1.00 14.14 H new ATOM 0 HA LYS A 121 -1.814 4.105 -8.086 1.00 24.41 H new ATOM 0 HB2 LYS A 121 -1.403 5.353 -10.825 1.00 61.44 H new ATOM 0 HB3 LYS A 121 -0.943 3.709 -10.429 1.00 61.44 H new ATOM 0 HG2 LYS A 121 -2.953 3.328 -11.451 1.00 13.52 H new ATOM 0 HG3 LYS A 121 -3.476 3.430 -9.782 1.00 13.52 H new ATOM 0 HD2 LYS A 121 -4.497 5.525 -10.078 1.00 1.43 H new ATOM 0 HD3 LYS A 121 -3.528 5.921 -11.483 1.00 1.43 H new ATOM 0 HE2 LYS A 121 -5.660 3.740 -11.477 1.00 11.33 H new ATOM 0 HE3 LYS A 121 -5.968 5.394 -11.967 1.00 11.33 H new ATOM 0 HZ1 LYS A 121 -5.490 4.079 -13.878 1.00 31.52 H new ATOM 0 HZ2 LYS A 121 -4.196 5.151 -13.639 1.00 31.52 H new ATOM 0 HZ3 LYS A 121 -4.035 3.516 -13.208 1.00 31.52 H new ATOM 2031 N ARG A 122 0.766 4.023 -8.251 1.00 54.11 N ATOM 2032 CA ARG A 122 2.225 3.957 -8.166 1.00 51.51 C ATOM 2033 C ARG A 122 2.694 2.687 -8.884 1.00 51.43 C ATOM 2034 O ARG A 122 2.238 1.598 -8.546 1.00 64.24 O ATOM 2035 CB ARG A 122 2.690 3.983 -6.687 1.00 71.25 C ATOM 2036 CG ARG A 122 3.576 5.204 -6.410 1.00 23.43 C ATOM 2037 CD ARG A 122 4.124 5.321 -4.978 1.00 72.20 C ATOM 2038 NE ARG A 122 5.377 4.572 -4.777 1.00 11.34 N ATOM 2039 CZ ARG A 122 5.556 3.401 -4.144 1.00 52.00 C ATOM 2040 NH1 ARG A 122 4.532 2.690 -3.648 1.00 71.04 N1+ ATOM 2041 NH2 ARG A 122 6.799 2.933 -3.997 1.00 41.43 N ATOM 0 H ARG A 122 0.324 3.113 -8.123 1.00 54.11 H new ATOM 0 HA ARG A 122 2.669 4.827 -8.650 1.00 51.51 H new ATOM 0 HB2 ARG A 122 1.821 4.003 -6.029 1.00 71.25 H new ATOM 0 HB3 ARG A 122 3.241 3.070 -6.459 1.00 71.25 H new ATOM 0 HG2 ARG A 122 4.419 5.182 -7.101 1.00 23.43 H new ATOM 0 HG3 ARG A 122 3.003 6.104 -6.634 1.00 23.43 H new ATOM 0 HD2 ARG A 122 4.294 6.372 -4.745 1.00 72.20 H new ATOM 0 HD3 ARG A 122 3.373 4.957 -4.277 1.00 72.20 H new ATOM 0 HE ARG A 122 6.217 4.998 -5.169 1.00 11.34 H new ATOM 0 HH11 ARG A 122 3.577 3.035 -3.746 1.00 71.04 H new ATOM 0 HH12 ARG A 122 4.708 1.805 -3.173 1.00 71.04 H new ATOM 0 HH21 ARG A 122 7.590 3.463 -4.362 1.00 41.43 H new ATOM 0 HH22 ARG A 122 6.957 2.046 -3.519 1.00 41.43 H new ATOM 2055 N ILE A 123 3.608 2.859 -9.847 1.00 23.42 N ATOM 2056 CA ILE A 123 4.194 1.786 -10.644 1.00 74.43 C ATOM 2057 C ILE A 123 5.694 1.711 -10.309 1.00 3.34 C ATOM 2058 O ILE A 123 6.361 2.745 -10.259 1.00 11.31 O ATOM 2059 CB ILE A 123 4.027 2.036 -12.175 1.00 53.55 C ATOM 2060 CG1 ILE A 123 2.539 2.238 -12.568 1.00 33.41 C ATOM 2061 CG2 ILE A 123 4.618 0.876 -13.011 1.00 70.43 C ATOM 2062 CD1 ILE A 123 2.027 3.687 -12.457 1.00 23.05 C ATOM 0 H ILE A 123 3.968 3.780 -10.097 1.00 23.42 H new ATOM 0 HA ILE A 123 3.681 0.854 -10.405 1.00 74.43 H new ATOM 0 HB ILE A 123 4.578 2.951 -12.395 1.00 53.55 H new ATOM 0 HG12 ILE A 123 2.400 1.897 -13.594 1.00 33.41 H new ATOM 0 HG13 ILE A 123 1.922 1.601 -11.934 1.00 33.41 H new ATOM 0 HG21 ILE A 123 4.483 1.086 -14.072 1.00 70.43 H new ATOM 0 HG22 ILE A 123 5.681 0.776 -12.794 1.00 70.43 H new ATOM 0 HG23 ILE A 123 4.107 -0.053 -12.757 1.00 70.43 H new ATOM 0 HD11 ILE A 123 0.979 3.726 -12.752 1.00 23.05 H new ATOM 0 HD12 ILE A 123 2.127 4.030 -11.427 1.00 23.05 H new ATOM 0 HD13 ILE A 123 2.613 4.331 -13.113 1.00 23.05 H new ATOM 2074 N SER A 124 6.186 0.484 -10.081 1.00 71.20 N ATOM 2075 CA SER A 124 7.557 0.195 -9.660 1.00 14.32 C ATOM 2076 C SER A 124 8.083 -1.063 -10.384 1.00 44.33 C ATOM 2077 O SER A 124 7.289 -1.830 -10.929 1.00 2.24 O ATOM 2078 CB SER A 124 7.589 0.152 -8.102 1.00 41.23 C ATOM 2079 OG SER A 124 7.758 -1.129 -7.539 1.00 61.04 O ATOM 0 H SER A 124 5.620 -0.358 -10.189 1.00 71.20 H new ATOM 0 HA SER A 124 8.256 0.978 -9.955 1.00 14.32 H new ATOM 0 HB2 SER A 124 8.398 0.794 -7.754 1.00 41.23 H new ATOM 0 HB3 SER A 124 6.659 0.577 -7.724 1.00 41.23 H new ATOM 0 HG SER A 124 7.768 -1.058 -6.562 1.00 61.04 H new ATOM 2085 N LYS A 125 9.415 -1.242 -10.384 1.00 51.44 N ATOM 2086 CA LYS A 125 10.120 -2.366 -11.012 1.00 72.03 C ATOM 2087 C LYS A 125 11.253 -2.839 -10.089 1.00 64.24 C ATOM 2088 O LYS A 125 11.845 -2.018 -9.395 1.00 21.30 O ATOM 2089 CB LYS A 125 10.651 -1.917 -12.392 1.00 73.22 C ATOM 2090 CG LYS A 125 11.275 -3.029 -13.256 1.00 42.33 C ATOM 2091 CD LYS A 125 11.746 -2.498 -14.624 1.00 22.14 C ATOM 2092 CE LYS A 125 11.656 -3.518 -15.773 1.00 53.41 C ATOM 2093 NZ LYS A 125 12.495 -4.707 -15.553 1.00 45.34 N1+ ATOM 0 H LYS A 125 10.049 -0.584 -9.931 1.00 51.44 H new ATOM 0 HA LYS A 125 9.444 -3.207 -11.165 1.00 72.03 H new ATOM 0 HB2 LYS A 125 9.830 -1.466 -12.949 1.00 73.22 H new ATOM 0 HB3 LYS A 125 11.398 -1.138 -12.239 1.00 73.22 H new ATOM 0 HG2 LYS A 125 12.120 -3.469 -12.727 1.00 42.33 H new ATOM 0 HG3 LYS A 125 10.545 -3.824 -13.407 1.00 42.33 H new ATOM 0 HD2 LYS A 125 11.150 -1.624 -14.884 1.00 22.14 H new ATOM 0 HD3 LYS A 125 12.779 -2.163 -14.533 1.00 22.14 H new ATOM 0 HE2 LYS A 125 10.619 -3.830 -15.895 1.00 53.41 H new ATOM 0 HE3 LYS A 125 11.955 -3.036 -16.704 1.00 53.41 H new ATOM 0 HZ1 LYS A 125 12.766 -5.115 -16.470 1.00 45.34 H new ATOM 0 HZ2 LYS A 125 13.351 -4.436 -15.029 1.00 45.34 H new ATOM 0 HZ3 LYS A 125 11.962 -5.411 -15.004 1.00 45.34 H new ATOM 2107 N ARG A 126 11.539 -4.151 -10.105 1.00 3.51 N ATOM 2108 CA ARG A 126 12.534 -4.818 -9.252 1.00 31.02 C ATOM 2109 C ARG A 126 13.972 -4.297 -9.432 1.00 63.35 C ATOM 2110 O ARG A 126 14.362 -3.953 -10.547 1.00 31.35 O ATOM 2111 CB ARG A 126 12.412 -6.340 -9.468 1.00 1.25 C ATOM 2112 CG ARG A 126 13.313 -7.236 -8.597 1.00 25.20 C ATOM 2113 CD ARG A 126 12.676 -8.584 -8.232 1.00 61.54 C ATOM 2114 NE ARG A 126 12.165 -9.303 -9.408 1.00 13.10 N ATOM 2115 CZ ARG A 126 11.522 -10.483 -9.379 1.00 1.14 C ATOM 2116 NH1 ARG A 126 11.310 -11.133 -8.226 1.00 52.44 N1+ ATOM 2117 NH2 ARG A 126 11.075 -11.013 -10.523 1.00 75.52 N ATOM 0 H ARG A 126 11.066 -4.799 -10.735 1.00 3.51 H new ATOM 0 HA ARG A 126 12.313 -4.576 -8.213 1.00 31.02 H new ATOM 0 HB2 ARG A 126 11.375 -6.627 -9.292 1.00 1.25 H new ATOM 0 HB3 ARG A 126 12.629 -6.554 -10.515 1.00 1.25 H new ATOM 0 HG2 ARG A 126 14.249 -7.418 -9.125 1.00 25.20 H new ATOM 0 HG3 ARG A 126 13.563 -6.702 -7.680 1.00 25.20 H new ATOM 0 HD2 ARG A 126 13.414 -9.205 -7.723 1.00 61.54 H new ATOM 0 HD3 ARG A 126 11.860 -8.418 -7.529 1.00 61.54 H new ATOM 0 HE ARG A 126 12.310 -8.871 -10.321 1.00 13.10 H new ATOM 0 HH11 ARG A 126 11.639 -10.733 -7.347 1.00 52.44 H new ATOM 0 HH12 ARG A 126 10.820 -12.027 -8.227 1.00 52.44 H new ATOM 0 HH21 ARG A 126 11.224 -10.522 -11.405 1.00 75.52 H new ATOM 0 HH22 ARG A 126 10.586 -11.908 -10.514 1.00 75.52 H new ATOM 2131 N ILE A 127 14.727 -4.272 -8.319 1.00 3.34 N ATOM 2132 CA ILE A 127 16.156 -3.921 -8.261 1.00 44.01 C ATOM 2133 C ILE A 127 16.904 -5.243 -8.149 1.00 43.14 C ATOM 2134 O ILE A 127 16.519 -6.197 -7.466 1.00 12.22 O ATOM 2135 CB ILE A 127 16.536 -2.974 -7.073 1.00 74.44 C ATOM 2136 CG1 ILE A 127 15.499 -1.864 -6.791 1.00 63.15 C ATOM 2137 CG2 ILE A 127 17.932 -2.351 -7.302 1.00 51.55 C ATOM 2138 CD1 ILE A 127 15.756 -1.063 -5.503 1.00 14.32 C ATOM 0 H ILE A 127 14.344 -4.504 -7.403 1.00 3.34 H new ATOM 0 HA ILE A 127 16.423 -3.356 -9.154 1.00 44.01 H new ATOM 0 HB ILE A 127 16.549 -3.607 -6.186 1.00 74.44 H new ATOM 0 HG12 ILE A 127 15.484 -1.175 -7.635 1.00 63.15 H new ATOM 0 HG13 ILE A 127 14.509 -2.316 -6.731 1.00 63.15 H new ATOM 0 HG21 ILE A 127 18.180 -1.696 -6.467 1.00 51.55 H new ATOM 0 HG22 ILE A 127 18.677 -3.144 -7.375 1.00 51.55 H new ATOM 0 HG23 ILE A 127 17.926 -1.774 -8.226 1.00 51.55 H new ATOM 0 HD11 ILE A 127 14.981 -0.306 -5.384 1.00 14.32 H new ATOM 0 HD12 ILE A 127 15.740 -1.737 -4.646 1.00 14.32 H new ATOM 0 HD13 ILE A 127 16.730 -0.578 -5.564 1.00 14.32 H new TER 2150 ILE A 127