USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 891 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 88 ASN : amide:sc= 3.3 K(o=3.9,f=-3.6!) USER MOD Set 1.2: A 90 THR OG1 : rot -27:sc= 0.624 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 135:sc= 0.132 (180deg=-0.000182) USER MOD Set 2.2: A 97 THR OG1 : rot -91:sc= -1.62 USER MOD Set 3.1: A 14 MET CE :methyl -178:sc= -1.04 (180deg=-0.916) USER MOD Set 3.2: A 41 CYS SG : rot 1:sc= -0.773 USER MOD Set 3.3: A 43 ASN : amide:sc= 0.947 K(o=-0.86,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.143 (180deg=0) USER MOD Single : A 2 CYS SG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -50:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0164) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 37 SER OG : rot 5:sc= 0.101 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot -91:sc= 0.14 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -50:sc= 0.0002 USER MOD Single : A 51 SER OG : rot 21:sc= 1.18 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.705 K(o=0.7,f=-6.7!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 160:sc= 0.0167 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -175:sc= 0.34 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.724 K(o=0.72,f=-1.9!) USER MOD Single : A 82 LYS NZ :NH3+ 177:sc= 2.16 (180deg=2.12) USER MOD Single : A 86 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.443 K(o=-0.44,f=-1) USER MOD Single : A 93 SER OG : rot 180:sc= 0.087 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot -46:sc= -0.144 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 110 LYS NZ :NH3+ -174:sc= 0.648 (180deg=0.543) USER MOD Single : A 113 GLN : amide:sc= 0.481 K(o=0.48,f=-6.9!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc=-0.00488 X(o=-0.0049,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.182 19.089 -5.296 1.00 42.23 N ATOM 2 CA GLY A 1 2.105 20.072 -4.703 1.00 65.20 C ATOM 3 C GLY A 1 2.060 21.381 -5.478 1.00 50.31 C ATOM 4 O GLY A 1 1.260 21.504 -6.403 1.00 12.05 O ATOM 0 H1 GLY A 1 0.548 18.720 -4.559 1.00 42.23 H new ATOM 0 H2 GLY A 1 0.618 19.547 -6.040 1.00 42.23 H new ATOM 0 H3 GLY A 1 1.727 18.305 -5.708 1.00 42.23 H new ATOM 0 HA2 GLY A 1 1.836 20.250 -3.662 1.00 65.20 H new ATOM 0 HA3 GLY A 1 3.120 19.675 -4.707 1.00 65.20 H new ATOM 8 N CYS A 2 2.928 22.350 -5.151 1.00 65.52 N ATOM 9 CA CYS A 2 2.867 23.725 -5.654 1.00 5.44 C ATOM 10 C CYS A 2 1.549 24.383 -5.250 1.00 23.44 C ATOM 11 O CYS A 2 0.603 24.396 -6.036 1.00 64.23 O ATOM 12 CB CYS A 2 3.135 23.812 -7.167 1.00 45.32 C ATOM 13 SG CYS A 2 4.879 23.455 -7.529 1.00 70.23 S ATOM 0 H CYS A 2 3.709 22.193 -4.514 1.00 65.52 H new ATOM 0 HA CYS A 2 3.674 24.288 -5.186 1.00 5.44 H new ATOM 0 HB2 CYS A 2 2.496 23.105 -7.696 1.00 45.32 H new ATOM 0 HB3 CYS A 2 2.879 24.807 -7.531 1.00 45.32 H new ATOM 0 HG CYS A 2 5.081 23.532 -8.811 1.00 70.23 H new ATOM 19 N GLU A 3 1.524 24.942 -4.036 1.00 24.12 N ATOM 20 CA GLU A 3 0.375 25.566 -3.382 1.00 2.25 C ATOM 21 C GLU A 3 -0.827 24.614 -3.263 1.00 74.51 C ATOM 22 O GLU A 3 -0.786 23.467 -3.715 1.00 24.25 O ATOM 23 CB GLU A 3 0.050 26.915 -4.063 1.00 5.21 C ATOM 24 CG GLU A 3 0.654 28.122 -3.327 1.00 14.33 C ATOM 25 CD GLU A 3 2.183 28.202 -3.376 1.00 70.34 C ATOM 26 OE1 GLU A 3 2.864 27.413 -2.688 1.00 1.11 O ATOM 27 OE2 GLU A 3 2.703 29.140 -4.031 1.00 12.24 O ATOM 0 H GLU A 3 2.358 24.971 -3.450 1.00 24.12 H new ATOM 0 HA GLU A 3 0.638 25.787 -2.347 1.00 2.25 H new ATOM 0 HB2 GLU A 3 0.423 26.898 -5.087 1.00 5.21 H new ATOM 0 HB3 GLU A 3 -1.032 27.035 -4.120 1.00 5.21 H new ATOM 0 HG2 GLU A 3 0.242 29.035 -3.756 1.00 14.33 H new ATOM 0 HG3 GLU A 3 0.339 28.089 -2.284 1.00 14.33 H new ATOM 34 N LEU A 4 -1.893 25.052 -2.586 1.00 63.44 N ATOM 35 CA LEU A 4 -3.131 24.280 -2.470 1.00 14.12 C ATOM 36 C LEU A 4 -3.801 24.221 -3.844 1.00 54.32 C ATOM 37 O LEU A 4 -3.639 25.151 -4.642 1.00 53.12 O ATOM 38 CB LEU A 4 -4.087 24.935 -1.452 1.00 72.54 C ATOM 39 CG LEU A 4 -3.501 25.129 -0.041 1.00 13.43 C ATOM 40 CD1 LEU A 4 -4.481 25.916 0.826 1.00 72.20 C ATOM 41 CD2 LEU A 4 -3.170 23.799 0.644 1.00 62.31 C ATOM 0 H LEU A 4 -1.921 25.951 -2.104 1.00 63.44 H new ATOM 0 HA LEU A 4 -2.898 23.274 -2.121 1.00 14.12 H new ATOM 0 HB2 LEU A 4 -4.395 25.907 -1.838 1.00 72.54 H new ATOM 0 HB3 LEU A 4 -4.986 24.324 -1.375 1.00 72.54 H new ATOM 0 HG LEU A 4 -2.569 25.682 -0.155 1.00 13.43 H new ATOM 0 HD11 LEU A 4 -4.060 26.049 1.822 1.00 72.20 H new ATOM 0 HD12 LEU A 4 -4.663 26.892 0.376 1.00 72.20 H new ATOM 0 HD13 LEU A 4 -5.421 25.370 0.900 1.00 72.20 H new ATOM 0 HD21 LEU A 4 -2.760 23.992 1.635 1.00 62.31 H new ATOM 0 HD22 LEU A 4 -4.077 23.202 0.737 1.00 62.31 H new ATOM 0 HD23 LEU A 4 -2.437 23.255 0.048 1.00 62.31 H new ATOM 53 N SER A 5 -4.608 23.191 -4.084 1.00 34.23 N ATOM 54 CA SER A 5 -5.379 23.010 -5.305 1.00 63.10 C ATOM 55 C SER A 5 -6.794 22.622 -4.891 1.00 34.55 C ATOM 56 O SER A 5 -7.037 21.464 -4.549 1.00 43.40 O ATOM 57 CB SER A 5 -4.745 21.921 -6.186 1.00 53.10 C ATOM 58 OG SER A 5 -3.390 22.187 -6.505 1.00 41.03 O ATOM 0 H SER A 5 -4.746 22.437 -3.411 1.00 34.23 H new ATOM 0 HA SER A 5 -5.394 23.928 -5.893 1.00 63.10 H new ATOM 0 HB2 SER A 5 -4.810 20.962 -5.672 1.00 53.10 H new ATOM 0 HB3 SER A 5 -5.318 21.828 -7.108 1.00 53.10 H new ATOM 0 HG SER A 5 -3.037 21.463 -7.064 1.00 41.03 H new ATOM 64 N ASP A 6 -7.718 23.578 -4.824 1.00 73.12 N ATOM 65 CA ASP A 6 -9.106 23.296 -4.454 1.00 14.14 C ATOM 66 C ASP A 6 -10.136 24.246 -5.098 1.00 22.52 C ATOM 67 O ASP A 6 -11.021 24.768 -4.418 1.00 14.22 O ATOM 68 CB ASP A 6 -9.225 23.239 -2.934 1.00 33.34 C ATOM 69 CG ASP A 6 -8.720 24.476 -2.182 1.00 3.13 C ATOM 70 OD1 ASP A 6 -8.621 25.579 -2.768 1.00 53.00 O ATOM 71 OD2 ASP A 6 -8.325 24.319 -1.001 1.00 71.50 O ATOM 0 H ASP A 6 -7.530 24.561 -5.022 1.00 73.12 H new ATOM 0 HA ASP A 6 -9.362 22.320 -4.866 1.00 14.14 H new ATOM 0 HB2 ASP A 6 -10.272 23.081 -2.675 1.00 33.34 H new ATOM 0 HB3 ASP A 6 -8.674 22.369 -2.577 1.00 33.34 H new ATOM 76 N PRO A 7 -10.128 24.373 -6.435 1.00 72.24 N ATOM 77 CA PRO A 7 -10.964 25.306 -7.186 1.00 51.24 C ATOM 78 C PRO A 7 -12.476 25.058 -7.100 1.00 52.03 C ATOM 79 O PRO A 7 -13.235 25.985 -7.382 1.00 54.04 O ATOM 80 CB PRO A 7 -10.476 25.194 -8.637 1.00 3.42 C ATOM 81 CG PRO A 7 -9.877 23.791 -8.718 1.00 43.11 C ATOM 82 CD PRO A 7 -9.255 23.644 -7.335 1.00 52.41 C ATOM 0 HA PRO A 7 -10.856 26.303 -6.758 1.00 51.24 H new ATOM 0 HB2 PRO A 7 -11.296 25.320 -9.345 1.00 3.42 H new ATOM 0 HB3 PRO A 7 -9.735 25.959 -8.869 1.00 3.42 H new ATOM 0 HG2 PRO A 7 -10.636 23.032 -8.909 1.00 43.11 H new ATOM 0 HG3 PRO A 7 -9.135 23.707 -9.512 1.00 43.11 H new ATOM 0 HD2 PRO A 7 -9.183 22.595 -7.047 1.00 52.41 H new ATOM 0 HD3 PRO A 7 -8.244 24.050 -7.315 1.00 52.41 H new ATOM 90 N ASP A 8 -12.924 23.850 -6.735 1.00 41.05 N ATOM 91 CA ASP A 8 -14.338 23.462 -6.800 1.00 1.10 C ATOM 92 C ASP A 8 -14.864 22.937 -5.457 1.00 12.53 C ATOM 93 O ASP A 8 -16.071 22.706 -5.323 1.00 44.14 O ATOM 94 CB ASP A 8 -14.597 22.427 -7.910 1.00 24.23 C ATOM 95 CG ASP A 8 -14.472 22.966 -9.332 1.00 14.41 C ATOM 96 OD1 ASP A 8 -13.333 23.226 -9.780 1.00 3.41 O ATOM 97 OD2 ASP A 8 -15.484 22.974 -10.077 1.00 65.03 O ATOM 0 H ASP A 8 -12.313 23.112 -6.385 1.00 41.05 H new ATOM 0 HA ASP A 8 -14.887 24.372 -7.041 1.00 1.10 H new ATOM 0 HB2 ASP A 8 -13.897 21.601 -7.787 1.00 24.23 H new ATOM 0 HB3 ASP A 8 -15.599 22.018 -7.779 1.00 24.23 H new ATOM 102 N GLY A 9 -13.998 22.780 -4.448 1.00 62.55 N ATOM 103 CA GLY A 9 -14.342 22.130 -3.185 1.00 63.44 C ATOM 104 C GLY A 9 -14.286 20.609 -3.324 1.00 31.13 C ATOM 105 O GLY A 9 -15.292 19.918 -3.157 1.00 44.44 O ATOM 0 H GLY A 9 -13.032 23.105 -4.489 1.00 62.55 H new ATOM 0 HA2 GLY A 9 -13.653 22.454 -2.405 1.00 63.44 H new ATOM 0 HA3 GLY A 9 -15.341 22.435 -2.874 1.00 63.44 H new ATOM 109 N LEU A 10 -13.112 20.096 -3.682 1.00 5.24 N ATOM 110 CA LEU A 10 -12.806 18.698 -3.975 1.00 52.25 C ATOM 111 C LEU A 10 -12.131 18.034 -2.766 1.00 43.14 C ATOM 112 O LEU A 10 -12.002 18.650 -1.703 1.00 34.53 O ATOM 113 CB LEU A 10 -11.954 18.593 -5.265 1.00 43.04 C ATOM 114 CG LEU A 10 -10.916 19.717 -5.462 1.00 24.23 C ATOM 115 CD1 LEU A 10 -9.616 19.219 -6.083 1.00 52.22 C ATOM 116 CD2 LEU A 10 -11.540 20.792 -6.357 1.00 32.21 C ATOM 0 H LEU A 10 -12.289 20.690 -3.782 1.00 5.24 H new ATOM 0 HA LEU A 10 -13.733 18.155 -4.160 1.00 52.25 H new ATOM 0 HB2 LEU A 10 -11.432 17.636 -5.259 1.00 43.04 H new ATOM 0 HB3 LEU A 10 -12.625 18.585 -6.124 1.00 43.04 H new ATOM 0 HG LEU A 10 -10.658 20.118 -4.482 1.00 24.23 H new ATOM 0 HD11 LEU A 10 -8.924 20.054 -6.197 1.00 52.22 H new ATOM 0 HD12 LEU A 10 -9.170 18.464 -5.436 1.00 52.22 H new ATOM 0 HD13 LEU A 10 -9.823 18.783 -7.060 1.00 52.22 H new ATOM 0 HD21 LEU A 10 -10.823 21.599 -6.511 1.00 32.21 H new ATOM 0 HD22 LEU A 10 -11.806 20.355 -7.319 1.00 32.21 H new ATOM 0 HD23 LEU A 10 -12.436 21.189 -5.879 1.00 32.21 H new ATOM 128 N ALA A 11 -11.692 16.785 -2.930 1.00 52.11 N ATOM 129 CA ALA A 11 -10.877 16.020 -2.001 1.00 73.21 C ATOM 130 C ALA A 11 -9.707 15.424 -2.795 1.00 23.10 C ATOM 131 O ALA A 11 -9.865 14.414 -3.493 1.00 73.32 O ATOM 132 CB ALA A 11 -11.741 14.948 -1.325 1.00 2.03 C ATOM 0 H ALA A 11 -11.914 16.252 -3.771 1.00 52.11 H new ATOM 0 HA ALA A 11 -10.474 16.645 -1.204 1.00 73.21 H new ATOM 0 HB1 ALA A 11 -11.130 14.374 -0.628 1.00 2.03 H new ATOM 0 HB2 ALA A 11 -12.557 15.427 -0.783 1.00 2.03 H new ATOM 0 HB3 ALA A 11 -12.151 14.280 -2.083 1.00 2.03 H new ATOM 138 N ASP A 12 -8.541 16.075 -2.735 1.00 24.40 N ATOM 139 CA ASP A 12 -7.306 15.594 -3.360 1.00 61.25 C ATOM 140 C ASP A 12 -6.906 14.246 -2.756 1.00 3.42 C ATOM 141 O ASP A 12 -7.208 14.012 -1.582 1.00 13.12 O ATOM 142 CB ASP A 12 -6.141 16.578 -3.120 1.00 11.14 C ATOM 143 CG ASP A 12 -5.736 17.442 -4.311 1.00 64.31 C ATOM 144 OD1 ASP A 12 -6.023 17.067 -5.473 1.00 25.13 O ATOM 145 OD2 ASP A 12 -5.095 18.485 -4.052 1.00 3.11 O ATOM 0 H ASP A 12 -8.428 16.962 -2.245 1.00 24.40 H new ATOM 0 HA ASP A 12 -7.496 15.501 -4.429 1.00 61.25 H new ATOM 0 HB2 ASP A 12 -6.413 17.237 -2.295 1.00 11.14 H new ATOM 0 HB3 ASP A 12 -5.270 16.007 -2.799 1.00 11.14 H new ATOM 150 N PRO A 13 -6.151 13.400 -3.475 1.00 30.30 N ATOM 151 CA PRO A 13 -5.558 12.209 -2.893 1.00 12.22 C ATOM 152 C PRO A 13 -4.477 12.612 -1.887 1.00 23.35 C ATOM 153 O PRO A 13 -3.897 13.706 -1.949 1.00 72.40 O ATOM 154 CB PRO A 13 -4.997 11.422 -4.078 1.00 14.44 C ATOM 155 CG PRO A 13 -4.619 12.520 -5.067 1.00 10.42 C ATOM 156 CD PRO A 13 -5.701 13.576 -4.846 1.00 61.15 C ATOM 0 HA PRO A 13 -6.270 11.599 -2.337 1.00 12.22 H new ATOM 0 HB2 PRO A 13 -4.134 10.821 -3.792 1.00 14.44 H new ATOM 0 HB3 PRO A 13 -5.736 10.739 -4.496 1.00 14.44 H new ATOM 0 HG2 PRO A 13 -3.623 12.916 -4.868 1.00 10.42 H new ATOM 0 HG3 PRO A 13 -4.617 12.154 -6.094 1.00 10.42 H new ATOM 0 HD2 PRO A 13 -5.306 14.580 -5.002 1.00 61.15 H new ATOM 0 HD3 PRO A 13 -6.525 13.445 -5.548 1.00 61.15 H new ATOM 164 N MET A 14 -4.206 11.715 -0.944 1.00 24.21 N ATOM 165 CA MET A 14 -3.284 11.934 0.162 1.00 74.13 C ATOM 166 C MET A 14 -1.862 12.180 -0.365 1.00 71.54 C ATOM 167 O MET A 14 -1.456 11.635 -1.398 1.00 53.44 O ATOM 168 CB MET A 14 -3.330 10.719 1.106 1.00 45.40 C ATOM 169 CG MET A 14 -4.740 10.384 1.612 1.00 45.21 C ATOM 170 SD MET A 14 -4.898 8.784 2.439 1.00 30.31 S ATOM 171 CE MET A 14 -3.703 8.925 3.793 1.00 52.11 C ATOM 0 H MET A 14 -4.635 10.790 -0.929 1.00 24.21 H new ATOM 0 HA MET A 14 -3.583 12.822 0.719 1.00 74.13 H new ATOM 0 HB2 MET A 14 -2.924 9.851 0.587 1.00 45.40 H new ATOM 0 HB3 MET A 14 -2.682 10.910 1.962 1.00 45.40 H new ATOM 0 HG2 MET A 14 -5.056 11.165 2.303 1.00 45.21 H new ATOM 0 HG3 MET A 14 -5.428 10.408 0.767 1.00 45.21 H new ATOM 0 HE1 MET A 14 -3.679 7.992 4.355 1.00 52.11 H new ATOM 0 HE2 MET A 14 -2.713 9.129 3.385 1.00 52.11 H new ATOM 0 HE3 MET A 14 -3.997 9.740 4.455 1.00 52.11 H new ATOM 181 N LYS A 15 -1.083 13.004 0.338 1.00 71.51 N ATOM 182 CA LYS A 15 0.277 13.343 0.032 1.00 64.23 C ATOM 183 C LYS A 15 1.232 12.837 1.100 1.00 65.31 C ATOM 184 O LYS A 15 1.025 12.945 2.314 1.00 43.02 O ATOM 185 CB LYS A 15 0.368 14.867 -0.104 1.00 64.53 C ATOM 186 CG LYS A 15 1.170 15.141 -1.359 1.00 24.44 C ATOM 187 CD LYS A 15 1.979 16.430 -1.258 1.00 30.52 C ATOM 188 CE LYS A 15 3.142 16.228 -0.286 1.00 70.34 C ATOM 189 NZ LYS A 15 4.206 17.234 -0.450 1.00 4.25 N ATOM 0 H LYS A 15 -1.419 13.470 1.181 1.00 71.51 H new ATOM 0 HA LYS A 15 0.571 12.863 -0.902 1.00 64.23 H new ATOM 0 HB2 LYS A 15 -0.625 15.310 -0.174 1.00 64.53 H new ATOM 0 HB3 LYS A 15 0.852 15.306 0.769 1.00 64.53 H new ATOM 0 HG2 LYS A 15 1.844 14.305 -1.547 1.00 24.44 H new ATOM 0 HG3 LYS A 15 0.495 15.204 -2.213 1.00 24.44 H new ATOM 0 HD2 LYS A 15 2.357 16.712 -2.241 1.00 30.52 H new ATOM 0 HD3 LYS A 15 1.342 17.246 -0.915 1.00 30.52 H new ATOM 0 HE2 LYS A 15 2.766 16.267 0.736 1.00 70.34 H new ATOM 0 HE3 LYS A 15 3.563 15.233 -0.433 1.00 70.34 H new ATOM 0 HZ1 LYS A 15 4.968 17.048 0.234 1.00 4.25 H new ATOM 0 HZ2 LYS A 15 4.588 17.181 -1.416 1.00 4.25 H new ATOM 0 HZ3 LYS A 15 3.815 18.183 -0.283 1.00 4.25 H new ATOM 203 N TRP A 16 2.364 12.349 0.624 1.00 21.34 N ATOM 204 CA TRP A 16 3.299 11.583 1.420 1.00 22.42 C ATOM 205 C TRP A 16 4.690 12.163 1.251 1.00 51.42 C ATOM 206 O TRP A 16 4.936 12.915 0.307 1.00 44.33 O ATOM 207 CB TRP A 16 3.198 10.113 1.005 1.00 50.20 C ATOM 208 CG TRP A 16 1.830 9.501 1.033 1.00 14.31 C ATOM 209 CD1 TRP A 16 0.890 9.678 0.082 1.00 5.33 C ATOM 210 CD2 TRP A 16 1.251 8.535 1.966 1.00 12.34 C ATOM 211 NE1 TRP A 16 -0.243 8.971 0.401 1.00 32.33 N ATOM 212 CE2 TRP A 16 -0.083 8.243 1.557 1.00 42.04 C ATOM 213 CE3 TRP A 16 1.734 7.837 3.091 1.00 45.10 C ATOM 214 CZ2 TRP A 16 -0.901 7.343 2.251 1.00 52.40 C ATOM 215 CZ3 TRP A 16 0.922 6.940 3.808 1.00 61.44 C ATOM 216 CH2 TRP A 16 -0.399 6.700 3.392 1.00 24.45 C ATOM 0 H TRP A 16 2.662 12.478 -0.343 1.00 21.34 H new ATOM 0 HA TRP A 16 3.065 11.638 2.483 1.00 22.42 H new ATOM 0 HB2 TRP A 16 3.594 10.016 -0.006 1.00 50.20 H new ATOM 0 HB3 TRP A 16 3.846 9.529 1.658 1.00 50.20 H new ATOM 0 HD1 TRP A 16 1.011 10.287 -0.802 1.00 5.33 H new ATOM 0 HE1 TRP A 16 -1.100 8.984 -0.152 1.00 32.33 H new ATOM 0 HE3 TRP A 16 2.753 7.995 3.411 1.00 45.10 H new ATOM 0 HZ2 TRP A 16 -1.907 7.146 1.912 1.00 52.40 H new ATOM 0 HZ3 TRP A 16 1.314 6.435 4.679 1.00 61.44 H new ATOM 0 HH2 TRP A 16 -1.027 6.021 3.950 1.00 24.45 H new ATOM 227 N SER A 17 5.592 11.834 2.177 1.00 14.34 N ATOM 228 CA SER A 17 6.962 12.363 2.144 1.00 43.21 C ATOM 229 C SER A 17 8.040 11.349 2.558 1.00 63.13 C ATOM 230 O SER A 17 9.181 11.758 2.805 1.00 14.31 O ATOM 231 CB SER A 17 6.970 13.665 2.950 1.00 53.41 C ATOM 232 OG SER A 17 7.843 14.686 2.478 1.00 13.15 O ATOM 0 H SER A 17 5.402 11.206 2.958 1.00 14.34 H new ATOM 0 HA SER A 17 7.247 12.577 1.114 1.00 43.21 H new ATOM 0 HB2 SER A 17 5.955 14.063 2.970 1.00 53.41 H new ATOM 0 HB3 SER A 17 7.241 13.430 3.979 1.00 53.41 H new ATOM 0 HG SER A 17 8.736 14.310 2.329 1.00 13.15 H new ATOM 238 N LYS A 18 7.710 10.040 2.605 1.00 13.21 N ATOM 239 CA LYS A 18 8.713 8.965 2.870 1.00 44.21 C ATOM 240 C LYS A 18 8.604 7.830 1.854 1.00 13.22 C ATOM 241 O LYS A 18 8.896 6.676 2.144 1.00 1.41 O ATOM 242 CB LYS A 18 8.595 8.419 4.311 1.00 72.40 C ATOM 243 CG LYS A 18 8.985 9.549 5.271 1.00 41.21 C ATOM 244 CD LYS A 18 10.479 9.928 5.306 1.00 53.03 C ATOM 245 CE LYS A 18 11.348 8.695 5.584 1.00 32.51 C ATOM 246 NZ LYS A 18 12.722 9.047 5.991 1.00 70.41 N ATOM 0 H LYS A 18 6.761 9.694 2.464 1.00 13.21 H new ATOM 0 HA LYS A 18 9.698 9.418 2.762 1.00 44.21 H new ATOM 0 HB2 LYS A 18 7.578 8.082 4.510 1.00 72.40 H new ATOM 0 HB3 LYS A 18 9.249 7.558 4.448 1.00 72.40 H new ATOM 0 HG2 LYS A 18 8.412 10.437 5.005 1.00 41.21 H new ATOM 0 HG3 LYS A 18 8.680 9.263 6.278 1.00 41.21 H new ATOM 0 HD2 LYS A 18 10.768 10.375 4.355 1.00 53.03 H new ATOM 0 HD3 LYS A 18 10.650 10.680 6.076 1.00 53.03 H new ATOM 0 HE2 LYS A 18 10.883 8.097 6.368 1.00 32.51 H new ATOM 0 HE3 LYS A 18 11.386 8.073 4.689 1.00 32.51 H new ATOM 0 HZ1 LYS A 18 13.266 8.178 6.166 1.00 70.41 H new ATOM 0 HZ2 LYS A 18 13.179 9.594 5.234 1.00 70.41 H new ATOM 0 HZ3 LYS A 18 12.691 9.617 6.860 1.00 70.41 H new ATOM 260 N VAL A 19 8.060 8.165 0.698 1.00 12.35 N ATOM 261 CA VAL A 19 7.636 7.152 -0.273 1.00 71.21 C ATOM 262 C VAL A 19 8.866 6.345 -0.734 1.00 12.32 C ATOM 263 O VAL A 19 9.956 6.924 -0.849 1.00 74.20 O ATOM 264 CB VAL A 19 6.875 7.761 -1.471 1.00 53.42 C ATOM 265 CG1 VAL A 19 5.613 8.514 -1.033 1.00 5.02 C ATOM 266 CG2 VAL A 19 7.739 8.711 -2.308 1.00 72.44 C ATOM 0 H VAL A 19 7.898 9.128 0.402 1.00 12.35 H new ATOM 0 HA VAL A 19 6.929 6.483 0.218 1.00 71.21 H new ATOM 0 HB VAL A 19 6.596 6.905 -2.086 1.00 53.42 H new ATOM 0 HG11 VAL A 19 5.112 8.925 -1.909 1.00 5.02 H new ATOM 0 HG12 VAL A 19 4.940 7.828 -0.518 1.00 5.02 H new ATOM 0 HG13 VAL A 19 5.889 9.325 -0.360 1.00 5.02 H new ATOM 0 HG21 VAL A 19 7.149 9.107 -3.135 1.00 72.44 H new ATOM 0 HG22 VAL A 19 8.085 9.534 -1.683 1.00 72.44 H new ATOM 0 HG23 VAL A 19 8.598 8.169 -2.703 1.00 72.44 H new ATOM 276 N PRO A 20 8.710 5.037 -0.996 1.00 61.32 N ATOM 277 CA PRO A 20 9.783 4.198 -1.505 1.00 72.31 C ATOM 278 C PRO A 20 10.119 4.563 -2.954 1.00 45.44 C ATOM 279 O PRO A 20 9.324 5.172 -3.670 1.00 31.12 O ATOM 280 CB PRO A 20 9.285 2.759 -1.355 1.00 23.42 C ATOM 281 CG PRO A 20 7.773 2.893 -1.406 1.00 53.12 C ATOM 282 CD PRO A 20 7.475 4.280 -0.860 1.00 21.44 C ATOM 0 HA PRO A 20 10.714 4.336 -0.956 1.00 72.31 H new ATOM 0 HB2 PRO A 20 9.658 2.121 -2.156 1.00 23.42 H new ATOM 0 HB3 PRO A 20 9.616 2.317 -0.415 1.00 23.42 H new ATOM 0 HG2 PRO A 20 7.403 2.784 -2.425 1.00 53.12 H new ATOM 0 HG3 PRO A 20 7.289 2.122 -0.806 1.00 53.12 H new ATOM 0 HD2 PRO A 20 6.664 4.752 -1.415 1.00 21.44 H new ATOM 0 HD3 PRO A 20 7.161 4.230 0.182 1.00 21.44 H new ATOM 290 N SER A 21 11.296 4.151 -3.412 1.00 72.24 N ATOM 291 CA SER A 21 11.824 4.520 -4.716 1.00 34.52 C ATOM 292 C SER A 21 11.027 3.862 -5.850 1.00 13.23 C ATOM 293 O SER A 21 10.824 4.483 -6.897 1.00 31.14 O ATOM 294 CB SER A 21 13.302 4.125 -4.789 1.00 2.24 C ATOM 295 OG SER A 21 14.060 4.662 -3.716 1.00 25.55 O ATOM 0 H SER A 21 11.917 3.543 -2.879 1.00 72.24 H new ATOM 0 HA SER A 21 11.729 5.599 -4.842 1.00 34.52 H new ATOM 0 HB2 SER A 21 13.385 3.038 -4.781 1.00 2.24 H new ATOM 0 HB3 SER A 21 13.721 4.470 -5.734 1.00 2.24 H new ATOM 0 HG SER A 21 14.995 4.382 -3.804 1.00 25.55 H new ATOM 301 N GLY A 22 10.562 2.623 -5.650 1.00 4.11 N ATOM 302 CA GLY A 22 9.849 1.873 -6.673 1.00 30.55 C ATOM 303 C GLY A 22 8.422 2.370 -6.916 1.00 3.02 C ATOM 304 O GLY A 22 7.830 2.019 -7.935 1.00 42.04 O ATOM 0 H GLY A 22 10.673 2.118 -4.771 1.00 4.11 H new ATOM 0 HA2 GLY A 22 10.408 1.928 -7.607 1.00 30.55 H new ATOM 0 HA3 GLY A 22 9.814 0.823 -6.384 1.00 30.55 H new ATOM 308 N LEU A 23 7.865 3.184 -6.014 1.00 33.44 N ATOM 309 CA LEU A 23 6.635 3.937 -6.234 1.00 25.31 C ATOM 310 C LEU A 23 6.703 4.728 -7.541 1.00 31.22 C ATOM 311 O LEU A 23 7.477 5.679 -7.683 1.00 11.32 O ATOM 312 CB LEU A 23 6.342 4.849 -5.038 1.00 24.21 C ATOM 313 CG LEU A 23 5.031 5.639 -5.230 1.00 32.51 C ATOM 314 CD1 LEU A 23 4.149 5.522 -3.997 1.00 3.24 C ATOM 315 CD2 LEU A 23 5.282 7.130 -5.494 1.00 43.31 C ATOM 0 H LEU A 23 8.269 3.338 -5.090 1.00 33.44 H new ATOM 0 HA LEU A 23 5.810 3.231 -6.325 1.00 25.31 H new ATOM 0 HB2 LEU A 23 6.276 4.249 -4.131 1.00 24.21 H new ATOM 0 HB3 LEU A 23 7.169 5.545 -4.900 1.00 24.21 H new ATOM 0 HG LEU A 23 4.538 5.204 -6.099 1.00 32.51 H new ATOM 0 HD11 LEU A 23 3.229 6.086 -4.153 1.00 3.24 H new ATOM 0 HD12 LEU A 23 3.906 4.474 -3.821 1.00 3.24 H new ATOM 0 HD13 LEU A 23 4.678 5.922 -3.132 1.00 3.24 H new ATOM 0 HD21 LEU A 23 4.329 7.642 -5.622 1.00 43.31 H new ATOM 0 HD22 LEU A 23 5.816 7.564 -4.649 1.00 43.31 H new ATOM 0 HD23 LEU A 23 5.880 7.244 -6.398 1.00 43.31 H new ATOM 327 N LYS A 24 5.836 4.352 -8.477 1.00 70.13 N ATOM 328 CA LYS A 24 5.640 4.996 -9.766 1.00 70.40 C ATOM 329 C LYS A 24 4.151 5.010 -10.059 1.00 44.04 C ATOM 330 O LYS A 24 3.584 3.990 -10.447 1.00 24.14 O ATOM 331 CB LYS A 24 6.416 4.235 -10.857 1.00 51.02 C ATOM 332 CG LYS A 24 7.739 4.921 -11.218 1.00 62.50 C ATOM 333 CD LYS A 24 7.484 6.104 -12.166 1.00 30.14 C ATOM 334 CE LYS A 24 7.166 5.656 -13.600 1.00 1.14 C ATOM 335 NZ LYS A 24 8.357 5.147 -14.304 1.00 50.23 N ATOM 0 H LYS A 24 5.221 3.548 -8.347 1.00 70.13 H new ATOM 0 HA LYS A 24 6.017 6.018 -9.749 1.00 70.40 H new ATOM 0 HB2 LYS A 24 6.618 3.220 -10.515 1.00 51.02 H new ATOM 0 HB3 LYS A 24 5.796 4.153 -11.750 1.00 51.02 H new ATOM 0 HG2 LYS A 24 8.234 5.272 -10.312 1.00 62.50 H new ATOM 0 HG3 LYS A 24 8.411 4.205 -11.691 1.00 62.50 H new ATOM 0 HD2 LYS A 24 6.655 6.699 -11.783 1.00 30.14 H new ATOM 0 HD3 LYS A 24 8.361 6.751 -12.178 1.00 30.14 H new ATOM 0 HE2 LYS A 24 6.402 4.879 -13.575 1.00 1.14 H new ATOM 0 HE3 LYS A 24 6.749 6.495 -14.156 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 8.108 4.920 -15.288 1.00 50.23 H new ATOM 0 HZ2 LYS A 24 9.103 5.872 -14.294 1.00 50.23 H new ATOM 0 HZ3 LYS A 24 8.702 4.289 -13.828 1.00 50.23 H new ATOM 349 N ASN A 25 3.520 6.172 -9.894 1.00 14.15 N ATOM 350 CA ASN A 25 2.101 6.399 -10.169 1.00 3.22 C ATOM 351 C ASN A 25 1.207 5.422 -9.393 1.00 22.55 C ATOM 352 O ASN A 25 0.309 4.780 -9.939 1.00 63.20 O ATOM 353 CB ASN A 25 1.843 6.401 -11.685 1.00 23.53 C ATOM 354 CG ASN A 25 0.705 7.353 -12.021 1.00 21.52 C ATOM 355 OD1 ASN A 25 -0.457 7.120 -11.696 1.00 31.55 O ATOM 356 ND2 ASN A 25 1.005 8.473 -12.651 1.00 3.02 N ATOM 0 H ASN A 25 3.997 7.007 -9.555 1.00 14.15 H new ATOM 0 HA ASN A 25 1.826 7.388 -9.803 1.00 3.22 H new ATOM 0 HB2 ASN A 25 2.747 6.701 -12.215 1.00 23.53 H new ATOM 0 HB3 ASN A 25 1.596 5.394 -12.021 1.00 23.53 H new ATOM 0 HD21 ASN A 25 0.272 9.148 -12.869 1.00 3.02 H new ATOM 0 HD22 ASN A 25 1.970 8.664 -12.920 1.00 3.02 H new ATOM 363 N GLY A 26 1.490 5.278 -8.094 1.00 14.05 N ATOM 364 CA GLY A 26 0.754 4.374 -7.218 1.00 53.14 C ATOM 365 C GLY A 26 0.897 2.904 -7.621 1.00 63.13 C ATOM 366 O GLY A 26 -0.004 2.116 -7.340 1.00 61.34 O ATOM 0 H GLY A 26 2.238 5.788 -7.624 1.00 14.05 H new ATOM 0 HA2 GLY A 26 1.107 4.501 -6.195 1.00 53.14 H new ATOM 0 HA3 GLY A 26 -0.301 4.647 -7.227 1.00 53.14 H new ATOM 370 N GLU A 27 1.968 2.522 -8.317 1.00 21.22 N ATOM 371 CA GLU A 27 2.301 1.142 -8.655 1.00 31.22 C ATOM 372 C GLU A 27 3.725 0.894 -8.166 1.00 25.25 C ATOM 373 O GLU A 27 4.502 1.849 -8.058 1.00 4.21 O ATOM 374 CB GLU A 27 2.122 0.916 -10.168 1.00 65.11 C ATOM 375 CG GLU A 27 1.831 -0.555 -10.512 1.00 54.42 C ATOM 376 CD GLU A 27 3.008 -1.419 -10.976 1.00 30.54 C ATOM 377 OE1 GLU A 27 4.123 -0.916 -11.248 1.00 53.40 O ATOM 378 OE2 GLU A 27 2.766 -2.635 -11.144 1.00 11.12 O ATOM 0 H GLU A 27 2.651 3.191 -8.673 1.00 21.22 H new ATOM 0 HA GLU A 27 1.638 0.425 -8.170 1.00 31.22 H new ATOM 0 HB2 GLU A 27 1.305 1.540 -10.531 1.00 65.11 H new ATOM 0 HB3 GLU A 27 3.024 1.236 -10.689 1.00 65.11 H new ATOM 0 HG2 GLU A 27 1.394 -1.026 -9.631 1.00 54.42 H new ATOM 0 HG3 GLU A 27 1.071 -0.574 -11.293 1.00 54.42 H new ATOM 385 N LEU A 28 4.036 -0.345 -7.776 1.00 54.13 N ATOM 386 CA LEU A 28 5.269 -0.710 -7.090 1.00 23.25 C ATOM 387 C LEU A 28 5.726 -2.076 -7.575 1.00 45.42 C ATOM 388 O LEU A 28 5.021 -3.074 -7.387 1.00 44.02 O ATOM 389 CB LEU A 28 5.079 -0.725 -5.558 1.00 54.42 C ATOM 390 CG LEU A 28 5.182 0.681 -4.941 1.00 54.30 C ATOM 391 CD1 LEU A 28 3.823 1.363 -4.741 1.00 62.43 C ATOM 392 CD2 LEU A 28 5.888 0.675 -3.586 1.00 45.03 C ATOM 0 H LEU A 28 3.417 -1.140 -7.935 1.00 54.13 H new ATOM 0 HA LEU A 28 6.028 0.037 -7.320 1.00 23.25 H new ATOM 0 HB2 LEU A 28 4.105 -1.153 -5.319 1.00 54.42 H new ATOM 0 HB3 LEU A 28 5.831 -1.373 -5.108 1.00 54.42 H new ATOM 0 HG LEU A 28 5.764 1.242 -5.672 1.00 54.30 H new ATOM 0 HD11 LEU A 28 3.972 2.350 -4.303 1.00 62.43 H new ATOM 0 HD12 LEU A 28 3.322 1.466 -5.704 1.00 62.43 H new ATOM 0 HD13 LEU A 28 3.207 0.759 -4.074 1.00 62.43 H new ATOM 0 HD21 LEU A 28 5.934 1.691 -3.195 1.00 45.03 H new ATOM 0 HD22 LEU A 28 5.335 0.043 -2.891 1.00 45.03 H new ATOM 0 HD23 LEU A 28 6.899 0.286 -3.704 1.00 45.03 H new ATOM 404 N LYS A 29 6.922 -2.128 -8.173 1.00 21.24 N ATOM 405 CA LYS A 29 7.476 -3.399 -8.642 1.00 13.31 C ATOM 406 C LYS A 29 8.093 -4.132 -7.467 1.00 54.10 C ATOM 407 O LYS A 29 8.822 -3.511 -6.686 1.00 24.42 O ATOM 408 CB LYS A 29 8.538 -3.175 -9.733 1.00 50.04 C ATOM 409 CG LYS A 29 8.537 -4.314 -10.766 1.00 33.51 C ATOM 410 CD LYS A 29 7.497 -3.997 -11.846 1.00 44.40 C ATOM 411 CE LYS A 29 7.332 -5.134 -12.856 1.00 2.42 C ATOM 412 NZ LYS A 29 6.687 -4.625 -14.082 1.00 52.02 N ATOM 0 H LYS A 29 7.516 -1.316 -8.341 1.00 21.24 H new ATOM 0 HA LYS A 29 6.671 -3.993 -9.075 1.00 13.31 H new ATOM 0 HB2 LYS A 29 8.349 -2.227 -10.236 1.00 50.04 H new ATOM 0 HB3 LYS A 29 9.523 -3.101 -9.273 1.00 50.04 H new ATOM 0 HG2 LYS A 29 9.526 -4.420 -11.213 1.00 33.51 H new ATOM 0 HG3 LYS A 29 8.303 -5.262 -10.283 1.00 33.51 H new ATOM 0 HD2 LYS A 29 6.536 -3.795 -11.372 1.00 44.40 H new ATOM 0 HD3 LYS A 29 7.790 -3.088 -12.372 1.00 44.40 H new ATOM 0 HE2 LYS A 29 8.305 -5.562 -13.097 1.00 2.42 H new ATOM 0 HE3 LYS A 29 6.730 -5.933 -12.423 1.00 2.42 H new ATOM 0 HZ1 LYS A 29 6.577 -5.402 -14.765 1.00 52.02 H new ATOM 0 HZ2 LYS A 29 5.751 -4.236 -13.846 1.00 52.02 H new ATOM 0 HZ3 LYS A 29 7.277 -3.877 -14.500 1.00 52.02 H new ATOM 426 N VAL A 30 7.858 -5.435 -7.350 1.00 44.00 N ATOM 427 CA VAL A 30 8.438 -6.245 -6.299 1.00 44.40 C ATOM 428 C VAL A 30 8.821 -7.572 -6.921 1.00 31.53 C ATOM 429 O VAL A 30 7.966 -8.323 -7.404 1.00 72.33 O ATOM 430 CB VAL A 30 7.435 -6.437 -5.161 1.00 33.24 C ATOM 431 CG1 VAL A 30 8.134 -6.925 -3.888 1.00 51.41 C ATOM 432 CG2 VAL A 30 6.656 -5.187 -4.764 1.00 52.24 C ATOM 0 H VAL A 30 7.256 -5.956 -7.988 1.00 44.00 H new ATOM 0 HA VAL A 30 9.316 -5.762 -5.871 1.00 44.40 H new ATOM 0 HB VAL A 30 6.734 -7.167 -5.565 1.00 33.24 H new ATOM 0 HG11 VAL A 30 7.397 -7.053 -3.095 1.00 51.41 H new ATOM 0 HG12 VAL A 30 8.625 -7.878 -4.085 1.00 51.41 H new ATOM 0 HG13 VAL A 30 8.878 -6.191 -3.577 1.00 51.41 H new ATOM 0 HG21 VAL A 30 5.972 -5.428 -3.950 1.00 52.24 H new ATOM 0 HG22 VAL A 30 7.351 -4.414 -4.437 1.00 52.24 H new ATOM 0 HG23 VAL A 30 6.087 -4.825 -5.621 1.00 52.24 H new ATOM 442 N GLU A 31 10.108 -7.886 -6.890 1.00 34.12 N ATOM 443 CA GLU A 31 10.558 -9.131 -7.483 1.00 34.33 C ATOM 444 C GLU A 31 10.146 -10.298 -6.590 1.00 51.33 C ATOM 445 O GLU A 31 9.704 -10.083 -5.461 1.00 13.01 O ATOM 446 CB GLU A 31 12.056 -9.100 -7.709 1.00 43.11 C ATOM 447 CG GLU A 31 12.847 -9.126 -6.402 1.00 50.33 C ATOM 448 CD GLU A 31 14.304 -8.932 -6.775 1.00 74.21 C ATOM 449 OE1 GLU A 31 14.941 -9.941 -7.149 1.00 23.55 O ATOM 450 OE2 GLU A 31 14.744 -7.752 -6.779 1.00 53.23 O ATOM 0 H GLU A 31 10.840 -7.312 -6.472 1.00 34.12 H new ATOM 0 HA GLU A 31 10.087 -9.263 -8.457 1.00 34.33 H new ATOM 0 HB2 GLU A 31 12.345 -9.954 -8.322 1.00 43.11 H new ATOM 0 HB3 GLU A 31 12.317 -8.202 -8.270 1.00 43.11 H new ATOM 0 HG2 GLU A 31 12.511 -8.337 -5.729 1.00 50.33 H new ATOM 0 HG3 GLU A 31 12.703 -10.072 -5.880 1.00 50.33 H new ATOM 457 N ALA A 32 10.314 -11.535 -7.053 1.00 52.30 N ATOM 458 CA ALA A 32 9.743 -12.720 -6.422 1.00 64.14 C ATOM 459 C ALA A 32 10.202 -13.005 -4.984 1.00 70.40 C ATOM 460 O ALA A 32 9.658 -13.904 -4.355 1.00 64.12 O ATOM 461 CB ALA A 32 10.064 -13.912 -7.315 1.00 62.52 C ATOM 0 H ALA A 32 10.859 -11.744 -7.890 1.00 52.30 H new ATOM 0 HA ALA A 32 8.673 -12.535 -6.324 1.00 64.14 H new ATOM 0 HB1 ALA A 32 9.651 -14.819 -6.873 1.00 62.52 H new ATOM 0 HB2 ALA A 32 9.626 -13.756 -8.301 1.00 62.52 H new ATOM 0 HB3 ALA A 32 11.145 -14.014 -7.410 1.00 62.52 H new ATOM 467 N GLU A 33 11.173 -12.269 -4.454 1.00 12.43 N ATOM 468 CA GLU A 33 11.641 -12.402 -3.078 1.00 44.43 C ATOM 469 C GLU A 33 10.734 -11.605 -2.147 1.00 50.24 C ATOM 470 O GLU A 33 10.693 -11.853 -0.947 1.00 33.31 O ATOM 471 CB GLU A 33 13.068 -11.862 -2.980 1.00 24.32 C ATOM 472 CG GLU A 33 14.034 -12.564 -3.944 1.00 62.11 C ATOM 473 CD GLU A 33 15.312 -13.012 -3.256 1.00 64.30 C ATOM 474 OE1 GLU A 33 16.183 -12.147 -2.993 1.00 1.13 O ATOM 475 OE2 GLU A 33 15.438 -14.238 -3.027 1.00 23.52 O ATOM 0 H GLU A 33 11.667 -11.548 -4.980 1.00 12.43 H new ATOM 0 HA GLU A 33 11.622 -13.452 -2.787 1.00 44.43 H new ATOM 0 HB2 GLU A 33 13.063 -10.793 -3.192 1.00 24.32 H new ATOM 0 HB3 GLU A 33 13.429 -11.983 -1.959 1.00 24.32 H new ATOM 0 HG2 GLU A 33 13.539 -13.429 -4.385 1.00 62.11 H new ATOM 0 HG3 GLU A 33 14.282 -11.888 -4.762 1.00 62.11 H new ATOM 482 N GLY A 34 9.997 -10.641 -2.692 1.00 53.41 N ATOM 483 CA GLY A 34 9.349 -9.626 -1.902 1.00 63.30 C ATOM 484 C GLY A 34 10.375 -8.614 -1.392 1.00 41.21 C ATOM 485 O GLY A 34 11.586 -8.847 -1.424 1.00 31.31 O ATOM 0 H GLY A 34 9.839 -10.551 -3.696 1.00 53.41 H new ATOM 0 HA2 GLY A 34 8.593 -9.117 -2.500 1.00 63.30 H new ATOM 0 HA3 GLY A 34 8.832 -10.086 -1.060 1.00 63.30 H new ATOM 489 N GLY A 35 9.886 -7.478 -0.912 1.00 50.13 N ATOM 490 CA GLY A 35 10.675 -6.578 -0.081 1.00 41.40 C ATOM 491 C GLY A 35 9.771 -5.645 0.719 1.00 61.32 C ATOM 492 O GLY A 35 8.575 -5.535 0.433 1.00 5.25 O ATOM 0 H GLY A 35 8.934 -7.155 -1.087 1.00 50.13 H new ATOM 0 HA2 GLY A 35 11.299 -7.158 0.599 1.00 41.40 H new ATOM 0 HA3 GLY A 35 11.346 -5.991 -0.708 1.00 41.40 H new ATOM 496 N SER A 36 10.344 -4.949 1.698 1.00 61.12 N ATOM 497 CA SER A 36 9.660 -4.013 2.584 1.00 4.33 C ATOM 498 C SER A 36 9.745 -2.573 2.070 1.00 31.13 C ATOM 499 O SER A 36 10.654 -2.271 1.295 1.00 21.41 O ATOM 500 CB SER A 36 10.322 -4.130 3.958 1.00 41.12 C ATOM 501 OG SER A 36 10.131 -5.447 4.424 1.00 70.33 O ATOM 0 H SER A 36 11.340 -5.026 1.903 1.00 61.12 H new ATOM 0 HA SER A 36 8.599 -4.259 2.633 1.00 4.33 H new ATOM 0 HB2 SER A 36 11.385 -3.901 3.889 1.00 41.12 H new ATOM 0 HB3 SER A 36 9.886 -3.413 4.653 1.00 41.12 H new ATOM 0 HG SER A 36 10.549 -5.546 5.305 1.00 70.33 H new ATOM 507 N SER A 37 8.836 -1.693 2.515 1.00 32.34 N ATOM 508 CA SER A 37 8.835 -0.263 2.199 1.00 51.13 C ATOM 509 C SER A 37 8.183 0.532 3.324 1.00 2.21 C ATOM 510 O SER A 37 7.254 0.034 3.969 1.00 34.14 O ATOM 511 CB SER A 37 8.007 0.002 0.937 1.00 45.41 C ATOM 512 OG SER A 37 8.605 -0.494 -0.238 1.00 62.14 O ATOM 0 H SER A 37 8.062 -1.967 3.120 1.00 32.34 H new ATOM 0 HA SER A 37 9.873 0.039 2.059 1.00 51.13 H new ATOM 0 HB2 SER A 37 7.023 -0.452 1.055 1.00 45.41 H new ATOM 0 HB3 SER A 37 7.852 1.076 0.832 1.00 45.41 H new ATOM 0 HG SER A 37 9.413 -0.997 -0.006 1.00 62.14 H new ATOM 518 N LEU A 38 8.617 1.781 3.501 1.00 24.54 N ATOM 519 CA LEU A 38 8.066 2.758 4.428 1.00 3.24 C ATOM 520 C LEU A 38 7.285 3.772 3.609 1.00 22.23 C ATOM 521 O LEU A 38 7.685 4.116 2.498 1.00 11.35 O ATOM 522 CB LEU A 38 9.216 3.461 5.185 1.00 62.33 C ATOM 523 CG LEU A 38 8.790 4.709 6.002 1.00 4.13 C ATOM 524 CD1 LEU A 38 7.794 4.379 7.110 1.00 22.45 C ATOM 525 CD2 LEU A 38 9.976 5.403 6.679 1.00 64.44 C ATOM 0 H LEU A 38 9.405 2.153 2.971 1.00 24.54 H new ATOM 0 HA LEU A 38 7.417 2.277 5.160 1.00 3.24 H new ATOM 0 HB2 LEU A 38 9.680 2.743 5.861 1.00 62.33 H new ATOM 0 HB3 LEU A 38 9.978 3.759 4.465 1.00 62.33 H new ATOM 0 HG LEU A 38 8.332 5.365 5.261 1.00 4.13 H new ATOM 0 HD11 LEU A 38 7.532 5.290 7.647 1.00 22.45 H new ATOM 0 HD12 LEU A 38 6.895 3.945 6.673 1.00 22.45 H new ATOM 0 HD13 LEU A 38 8.242 3.666 7.802 1.00 22.45 H new ATOM 0 HD21 LEU A 38 9.621 6.269 7.237 1.00 64.44 H new ATOM 0 HD22 LEU A 38 10.464 4.707 7.362 1.00 64.44 H new ATOM 0 HD23 LEU A 38 10.689 5.727 5.921 1.00 64.44 H new ATOM 537 N PHE A 39 6.210 4.288 4.189 1.00 73.54 N ATOM 538 CA PHE A 39 5.491 5.451 3.742 1.00 53.41 C ATOM 539 C PHE A 39 5.183 6.284 4.984 1.00 54.12 C ATOM 540 O PHE A 39 4.966 5.728 6.058 1.00 10.23 O ATOM 541 CB PHE A 39 4.191 5.055 3.025 1.00 1.02 C ATOM 542 CG PHE A 39 4.335 4.173 1.800 1.00 21.24 C ATOM 543 CD1 PHE A 39 4.652 2.808 1.945 1.00 45.01 C ATOM 544 CD2 PHE A 39 4.072 4.691 0.519 1.00 62.10 C ATOM 545 CE1 PHE A 39 4.761 1.981 0.819 1.00 70.22 C ATOM 546 CE2 PHE A 39 4.146 3.853 -0.605 1.00 63.11 C ATOM 547 CZ PHE A 39 4.499 2.500 -0.461 1.00 70.21 C ATOM 0 H PHE A 39 5.802 3.877 5.029 1.00 73.54 H new ATOM 0 HA PHE A 39 6.087 6.017 3.027 1.00 53.41 H new ATOM 0 HB2 PHE A 39 3.549 4.542 3.741 1.00 1.02 H new ATOM 0 HB3 PHE A 39 3.673 5.967 2.729 1.00 1.02 H new ATOM 0 HD1 PHE A 39 4.812 2.396 2.931 1.00 45.01 H new ATOM 0 HD2 PHE A 39 3.813 5.733 0.400 1.00 62.10 H new ATOM 0 HE1 PHE A 39 5.046 0.946 0.934 1.00 70.22 H new ATOM 0 HE2 PHE A 39 3.930 4.250 -1.586 1.00 63.11 H new ATOM 0 HZ PHE A 39 4.569 1.862 -1.330 1.00 70.21 H new ATOM 557 N ALA A 40 5.113 7.607 4.837 1.00 33.35 N ATOM 558 CA ALA A 40 4.679 8.540 5.874 1.00 22.44 C ATOM 559 C ALA A 40 3.799 9.596 5.222 1.00 70.53 C ATOM 560 O ALA A 40 4.253 10.329 4.329 1.00 70.42 O ATOM 561 CB ALA A 40 5.864 9.196 6.585 1.00 31.42 C ATOM 0 H ALA A 40 5.365 8.072 3.965 1.00 33.35 H new ATOM 0 HA ALA A 40 4.122 7.993 6.635 1.00 22.44 H new ATOM 0 HB1 ALA A 40 5.496 9.882 7.348 1.00 31.42 H new ATOM 0 HB2 ALA A 40 6.478 8.427 7.054 1.00 31.42 H new ATOM 0 HB3 ALA A 40 6.463 9.747 5.860 1.00 31.42 H new ATOM 567 N CYS A 41 2.523 9.626 5.600 1.00 44.24 N ATOM 568 CA CYS A 41 1.587 10.578 5.046 1.00 43.34 C ATOM 569 C CYS A 41 1.917 11.917 5.681 1.00 63.52 C ATOM 570 O CYS A 41 1.761 12.087 6.891 1.00 10.12 O ATOM 571 CB CYS A 41 0.143 10.161 5.301 1.00 14.43 C ATOM 572 SG CYS A 41 -0.859 11.104 4.134 1.00 3.25 S ATOM 0 H CYS A 41 2.120 8.994 6.292 1.00 44.24 H new ATOM 0 HA CYS A 41 1.679 10.634 3.961 1.00 43.34 H new ATOM 0 HB2 CYS A 41 0.014 9.089 5.150 1.00 14.43 H new ATOM 0 HB3 CYS A 41 -0.150 10.375 6.329 1.00 14.43 H new ATOM 0 HG CYS A 41 -0.086 11.849 3.402 1.00 3.25 H new ATOM 578 N LYS A 42 2.462 12.851 4.897 1.00 51.44 N ATOM 579 CA LYS A 42 2.889 14.119 5.472 1.00 72.30 C ATOM 580 C LYS A 42 1.701 15.062 5.617 1.00 42.21 C ATOM 581 O LYS A 42 1.857 16.078 6.281 1.00 33.14 O ATOM 582 CB LYS A 42 4.110 14.714 4.755 1.00 31.45 C ATOM 583 CG LYS A 42 4.794 15.798 5.624 1.00 12.12 C ATOM 584 CD LYS A 42 6.306 15.920 5.402 1.00 42.01 C ATOM 585 CE LYS A 42 7.005 16.708 6.514 1.00 30.11 C ATOM 586 NZ LYS A 42 6.698 18.148 6.526 1.00 45.13 N ATOM 0 H LYS A 42 2.613 12.755 3.893 1.00 51.44 H new ATOM 0 HA LYS A 42 3.256 13.940 6.483 1.00 72.30 H new ATOM 0 HB2 LYS A 42 4.824 13.922 4.528 1.00 31.45 H new ATOM 0 HB3 LYS A 42 3.801 15.148 3.804 1.00 31.45 H new ATOM 0 HG2 LYS A 42 4.329 16.761 5.416 1.00 12.12 H new ATOM 0 HG3 LYS A 42 4.609 15.575 6.675 1.00 12.12 H new ATOM 0 HD2 LYS A 42 6.742 14.923 5.340 1.00 42.01 H new ATOM 0 HD3 LYS A 42 6.490 16.408 4.445 1.00 42.01 H new ATOM 0 HE2 LYS A 42 6.724 16.281 7.477 1.00 30.11 H new ATOM 0 HE3 LYS A 42 8.083 16.580 6.411 1.00 30.11 H new ATOM 0 HZ1 LYS A 42 7.210 18.606 7.307 1.00 45.13 H new ATOM 0 HZ2 LYS A 42 6.992 18.573 5.623 1.00 45.13 H new ATOM 0 HZ3 LYS A 42 5.675 18.284 6.656 1.00 45.13 H new ATOM 600 N ASN A 43 0.527 14.741 5.054 1.00 63.14 N ATOM 601 CA ASN A 43 -0.623 15.660 5.070 1.00 4.03 C ATOM 602 C ASN A 43 -1.932 15.039 5.560 1.00 4.04 C ATOM 603 O ASN A 43 -2.969 15.696 5.495 1.00 70.30 O ATOM 604 CB ASN A 43 -0.789 16.388 3.729 1.00 2.42 C ATOM 605 CG ASN A 43 -1.717 15.685 2.756 1.00 52.44 C ATOM 606 OD1 ASN A 43 -1.664 14.473 2.596 1.00 72.31 O ATOM 607 ND2 ASN A 43 -2.531 16.434 2.038 1.00 5.14 N ATOM 0 H ASN A 43 0.348 13.854 4.583 1.00 63.14 H new ATOM 0 HA ASN A 43 -0.378 16.405 5.826 1.00 4.03 H new ATOM 0 HB2 ASN A 43 -1.169 17.392 3.917 1.00 2.42 H new ATOM 0 HB3 ASN A 43 0.191 16.500 3.264 1.00 2.42 H new ATOM 0 HD21 ASN A 43 -3.131 16.005 1.334 1.00 5.14 H new ATOM 0 HD22 ASN A 43 -2.560 17.443 2.187 1.00 5.14 H new ATOM 614 N TYR A 44 -1.900 13.817 6.096 1.00 3.45 N ATOM 615 CA TYR A 44 -3.007 13.189 6.813 1.00 14.33 C ATOM 616 C TYR A 44 -2.427 12.339 7.947 1.00 5.24 C ATOM 617 O TYR A 44 -1.255 11.967 7.892 1.00 43.41 O ATOM 618 CB TYR A 44 -3.838 12.335 5.847 1.00 23.13 C ATOM 619 CG TYR A 44 -4.886 13.102 5.067 1.00 74.34 C ATOM 620 CD1 TYR A 44 -6.117 13.441 5.663 1.00 72.34 C ATOM 621 CD2 TYR A 44 -4.620 13.491 3.741 1.00 33.31 C ATOM 622 CE1 TYR A 44 -7.057 14.202 4.948 1.00 1.01 C ATOM 623 CE2 TYR A 44 -5.551 14.260 3.023 1.00 24.23 C ATOM 624 CZ TYR A 44 -6.764 14.641 3.638 1.00 54.34 C ATOM 625 OH TYR A 44 -7.643 15.467 3.005 1.00 31.40 O ATOM 0 H TYR A 44 -1.075 13.220 6.040 1.00 3.45 H new ATOM 0 HA TYR A 44 -3.668 13.946 7.235 1.00 14.33 H new ATOM 0 HB2 TYR A 44 -3.164 11.848 5.142 1.00 23.13 H new ATOM 0 HB3 TYR A 44 -4.332 11.546 6.414 1.00 23.13 H new ATOM 0 HD1 TYR A 44 -6.338 13.116 6.669 1.00 72.34 H new ATOM 0 HD2 TYR A 44 -3.693 13.196 3.272 1.00 33.31 H new ATOM 0 HE1 TYR A 44 -8.005 14.452 5.401 1.00 1.01 H new ATOM 0 HE2 TYR A 44 -5.340 14.558 2.007 1.00 24.23 H new ATOM 0 HH TYR A 44 -8.283 14.932 2.491 1.00 31.40 H new ATOM 635 N LYS A 45 -3.225 12.051 8.985 1.00 50.14 N ATOM 636 CA LYS A 45 -2.757 11.466 10.257 1.00 31.43 C ATOM 637 C LYS A 45 -3.730 10.524 10.947 1.00 34.34 C ATOM 638 O LYS A 45 -3.452 10.017 12.033 1.00 53.11 O ATOM 639 CB LYS A 45 -2.398 12.618 11.206 1.00 4.05 C ATOM 640 CG LYS A 45 -0.882 12.756 11.186 1.00 24.42 C ATOM 641 CD LYS A 45 -0.413 14.169 11.510 1.00 70.51 C ATOM 642 CE LYS A 45 1.103 14.220 11.328 1.00 50.01 C ATOM 643 NZ LYS A 45 1.686 15.417 11.959 1.00 63.14 N ATOM 0 H LYS A 45 -4.231 12.219 8.968 1.00 50.14 H new ATOM 0 HA LYS A 45 -1.899 10.841 10.007 1.00 31.43 H new ATOM 0 HB2 LYS A 45 -2.874 13.545 10.885 1.00 4.05 H new ATOM 0 HB3 LYS A 45 -2.753 12.411 12.216 1.00 4.05 H new ATOM 0 HG2 LYS A 45 -0.449 12.061 11.905 1.00 24.42 H new ATOM 0 HG3 LYS A 45 -0.509 12.471 10.202 1.00 24.42 H new ATOM 0 HD2 LYS A 45 -0.899 14.891 10.854 1.00 70.51 H new ATOM 0 HD3 LYS A 45 -0.683 14.434 12.532 1.00 70.51 H new ATOM 0 HE2 LYS A 45 1.552 13.325 11.760 1.00 50.01 H new ATOM 0 HE3 LYS A 45 1.343 14.216 10.265 1.00 50.01 H new ATOM 0 HZ1 LYS A 45 2.716 15.418 11.815 1.00 63.14 H new ATOM 0 HZ2 LYS A 45 1.276 16.271 11.530 1.00 63.14 H new ATOM 0 HZ3 LYS A 45 1.479 15.408 12.978 1.00 63.14 H new ATOM 657 N SER A 46 -4.855 10.317 10.296 1.00 14.13 N ATOM 658 CA SER A 46 -5.908 9.419 10.716 1.00 50.24 C ATOM 659 C SER A 46 -6.438 8.787 9.436 1.00 12.00 C ATOM 660 O SER A 46 -7.298 9.369 8.772 1.00 62.52 O ATOM 661 CB SER A 46 -6.979 10.191 11.489 1.00 74.25 C ATOM 662 OG SER A 46 -6.447 10.879 12.608 1.00 41.22 O ATOM 0 H SER A 46 -5.069 10.792 9.419 1.00 14.13 H new ATOM 0 HA SER A 46 -5.559 8.644 11.398 1.00 50.24 H new ATOM 0 HB2 SER A 46 -7.461 10.906 10.822 1.00 74.25 H new ATOM 0 HB3 SER A 46 -7.751 9.499 11.825 1.00 74.25 H new ATOM 0 HG SER A 46 -7.166 11.358 13.070 1.00 41.22 H new ATOM 668 N PHE A 47 -5.836 7.672 9.024 1.00 1.21 N ATOM 669 CA PHE A 47 -6.181 6.939 7.821 1.00 70.53 C ATOM 670 C PHE A 47 -6.191 5.440 8.112 1.00 31.23 C ATOM 671 O PHE A 47 -5.490 4.977 9.020 1.00 14.44 O ATOM 672 CB PHE A 47 -5.233 7.320 6.671 1.00 14.14 C ATOM 673 CG PHE A 47 -3.757 6.996 6.848 1.00 30.23 C ATOM 674 CD1 PHE A 47 -3.274 5.717 6.529 1.00 24.51 C ATOM 675 CD2 PHE A 47 -2.843 7.995 7.226 1.00 41.41 C ATOM 676 CE1 PHE A 47 -1.895 5.438 6.577 1.00 11.30 C ATOM 677 CE2 PHE A 47 -1.465 7.718 7.273 1.00 74.32 C ATOM 678 CZ PHE A 47 -0.984 6.435 6.956 1.00 12.41 C ATOM 0 H PHE A 47 -5.068 7.245 9.542 1.00 1.21 H new ATOM 0 HA PHE A 47 -7.186 7.210 7.498 1.00 70.53 H new ATOM 0 HB2 PHE A 47 -5.582 6.821 5.767 1.00 14.14 H new ATOM 0 HB3 PHE A 47 -5.325 8.392 6.499 1.00 14.14 H new ATOM 0 HD1 PHE A 47 -3.967 4.939 6.244 1.00 24.51 H new ATOM 0 HD2 PHE A 47 -3.201 8.981 7.482 1.00 41.41 H new ATOM 0 HE1 PHE A 47 -1.537 4.452 6.321 1.00 11.30 H new ATOM 0 HE2 PHE A 47 -0.771 8.496 7.555 1.00 74.32 H new ATOM 0 HZ PHE A 47 0.073 6.220 7.004 1.00 12.41 H new ATOM 688 N TRP A 48 -6.977 4.670 7.361 1.00 50.42 N ATOM 689 CA TRP A 48 -7.160 3.249 7.617 1.00 54.31 C ATOM 690 C TRP A 48 -7.384 2.463 6.341 1.00 71.24 C ATOM 691 O TRP A 48 -7.918 2.973 5.351 1.00 45.15 O ATOM 692 CB TRP A 48 -8.343 3.021 8.560 1.00 1.41 C ATOM 693 CG TRP A 48 -9.697 3.424 8.053 1.00 5.10 C ATOM 694 CD1 TRP A 48 -10.629 2.575 7.565 1.00 62.12 C ATOM 695 CD2 TRP A 48 -10.282 4.756 7.955 1.00 12.00 C ATOM 696 NE1 TRP A 48 -11.757 3.279 7.200 1.00 64.15 N ATOM 697 CE2 TRP A 48 -11.581 4.637 7.381 1.00 53.05 C ATOM 698 CE3 TRP A 48 -9.851 6.051 8.306 1.00 11.10 C ATOM 699 CZ2 TRP A 48 -12.375 5.759 7.107 1.00 52.31 C ATOM 700 CZ3 TRP A 48 -10.636 7.185 8.039 1.00 3.02 C ATOM 701 CH2 TRP A 48 -11.890 7.039 7.423 1.00 45.15 C ATOM 0 H TRP A 48 -7.503 5.017 6.559 1.00 50.42 H new ATOM 0 HA TRP A 48 -6.241 2.892 8.081 1.00 54.31 H new ATOM 0 HB2 TRP A 48 -8.376 1.962 8.814 1.00 1.41 H new ATOM 0 HB3 TRP A 48 -8.150 3.565 9.485 1.00 1.41 H new ATOM 0 HD1 TRP A 48 -10.508 1.506 7.475 1.00 62.12 H new ATOM 0 HE1 TRP A 48 -12.611 2.852 6.842 1.00 64.15 H new ATOM 0 HE3 TRP A 48 -8.894 6.175 8.792 1.00 11.10 H new ATOM 0 HZ2 TRP A 48 -13.350 5.641 6.657 1.00 52.31 H new ATOM 0 HZ3 TRP A 48 -10.276 8.167 8.307 1.00 3.02 H new ATOM 0 HH2 TRP A 48 -12.482 7.912 7.192 1.00 45.15 H new ATOM 712 N ILE A 49 -7.004 1.191 6.421 1.00 24.30 N ATOM 713 CA ILE A 49 -7.165 0.177 5.401 1.00 53.04 C ATOM 714 C ILE A 49 -8.661 -0.119 5.310 1.00 32.51 C ATOM 715 O ILE A 49 -9.245 -0.430 6.349 1.00 33.43 O ATOM 716 CB ILE A 49 -6.435 -1.108 5.818 1.00 3.33 C ATOM 717 CG1 ILE A 49 -4.974 -0.886 6.265 1.00 72.52 C ATOM 718 CG2 ILE A 49 -6.573 -2.165 4.702 1.00 3.43 C ATOM 719 CD1 ILE A 49 -3.923 -0.586 5.190 1.00 30.33 C ATOM 0 H ILE A 49 -6.547 0.825 7.256 1.00 24.30 H new ATOM 0 HA ILE A 49 -6.758 0.519 4.450 1.00 53.04 H new ATOM 0 HB ILE A 49 -6.922 -1.485 6.717 1.00 3.33 H new ATOM 0 HG12 ILE A 49 -4.966 -0.061 6.977 1.00 72.52 H new ATOM 0 HG13 ILE A 49 -4.652 -1.777 6.805 1.00 72.52 H new ATOM 0 HG21 ILE A 49 -6.055 -3.077 4.998 1.00 3.43 H new ATOM 0 HG22 ILE A 49 -7.628 -2.384 4.537 1.00 3.43 H new ATOM 0 HG23 ILE A 49 -6.134 -1.781 3.781 1.00 3.43 H new ATOM 0 HD11 ILE A 49 -2.948 -0.455 5.660 1.00 30.33 H new ATOM 0 HD12 ILE A 49 -3.877 -1.416 4.485 1.00 30.33 H new ATOM 0 HD13 ILE A 49 -4.195 0.327 4.660 1.00 30.33 H new ATOM 731 N SER A 50 -9.271 -0.136 4.122 1.00 65.53 N ATOM 732 CA SER A 50 -10.614 -0.710 3.994 1.00 74.35 C ATOM 733 C SER A 50 -10.825 -1.574 2.743 1.00 63.22 C ATOM 734 O SER A 50 -11.951 -1.997 2.480 1.00 24.50 O ATOM 735 CB SER A 50 -11.672 0.381 4.176 1.00 74.25 C ATOM 736 OG SER A 50 -12.821 -0.165 4.796 1.00 63.12 O ATOM 0 H SER A 50 -8.871 0.229 3.258 1.00 65.53 H new ATOM 0 HA SER A 50 -10.730 -1.430 4.804 1.00 74.35 H new ATOM 0 HB2 SER A 50 -11.270 1.192 4.783 1.00 74.25 H new ATOM 0 HB3 SER A 50 -11.937 0.808 3.209 1.00 74.25 H new ATOM 0 HG SER A 50 -13.091 -0.980 4.324 1.00 63.12 H new ATOM 742 N SER A 51 -9.779 -1.916 1.984 1.00 25.31 N ATOM 743 CA SER A 51 -9.796 -3.080 1.096 1.00 61.53 C ATOM 744 C SER A 51 -8.384 -3.633 0.921 1.00 73.55 C ATOM 745 O SER A 51 -7.398 -2.903 1.047 1.00 54.14 O ATOM 746 CB SER A 51 -10.404 -2.729 -0.271 1.00 5.30 C ATOM 747 OG SER A 51 -11.805 -2.598 -0.161 1.00 52.35 O ATOM 0 H SER A 51 -8.902 -1.396 1.968 1.00 25.31 H new ATOM 0 HA SER A 51 -10.422 -3.845 1.556 1.00 61.53 H new ATOM 0 HB2 SER A 51 -9.972 -1.799 -0.641 1.00 5.30 H new ATOM 0 HB3 SER A 51 -10.160 -3.505 -0.996 1.00 5.30 H new ATOM 0 HG SER A 51 -12.045 -2.422 0.773 1.00 52.35 H new ATOM 753 N VAL A 52 -8.310 -4.923 0.596 1.00 10.44 N ATOM 754 CA VAL A 52 -7.095 -5.644 0.248 1.00 74.42 C ATOM 755 C VAL A 52 -7.419 -6.450 -1.017 1.00 42.02 C ATOM 756 O VAL A 52 -8.590 -6.674 -1.329 1.00 23.33 O ATOM 757 CB VAL A 52 -6.639 -6.533 1.435 1.00 24.42 C ATOM 758 CG1 VAL A 52 -5.245 -7.133 1.183 1.00 50.42 C ATOM 759 CG2 VAL A 52 -6.652 -5.790 2.786 1.00 5.21 C ATOM 0 H VAL A 52 -9.138 -5.519 0.568 1.00 10.44 H new ATOM 0 HA VAL A 52 -6.259 -4.974 0.048 1.00 74.42 H new ATOM 0 HB VAL A 52 -7.371 -7.339 1.499 1.00 24.42 H new ATOM 0 HG11 VAL A 52 -4.955 -7.750 2.033 1.00 50.42 H new ATOM 0 HG12 VAL A 52 -5.270 -7.746 0.282 1.00 50.42 H new ATOM 0 HG13 VAL A 52 -4.520 -6.329 1.055 1.00 50.42 H new ATOM 0 HG21 VAL A 52 -6.323 -6.465 3.576 1.00 5.21 H new ATOM 0 HG22 VAL A 52 -5.979 -4.934 2.737 1.00 5.21 H new ATOM 0 HG23 VAL A 52 -7.663 -5.445 3.002 1.00 5.21 H new ATOM 769 N LYS A 53 -6.402 -6.908 -1.742 1.00 54.45 N ATOM 770 CA LYS A 53 -6.487 -7.861 -2.847 1.00 24.14 C ATOM 771 C LYS A 53 -5.174 -8.627 -2.836 1.00 71.45 C ATOM 772 O LYS A 53 -4.161 -8.025 -2.497 1.00 12.22 O ATOM 773 CB LYS A 53 -6.702 -7.110 -4.176 1.00 1.03 C ATOM 774 CG LYS A 53 -6.217 -7.862 -5.431 1.00 61.12 C ATOM 775 CD LYS A 53 -6.816 -7.348 -6.744 1.00 32.21 C ATOM 776 CE LYS A 53 -6.263 -6.043 -7.329 1.00 61.42 C ATOM 777 NZ LYS A 53 -4.850 -6.161 -7.745 1.00 22.30 N ATOM 0 H LYS A 53 -5.443 -6.608 -1.565 1.00 54.45 H new ATOM 0 HA LYS A 53 -7.329 -8.545 -2.741 1.00 24.14 H new ATOM 0 HB2 LYS A 53 -7.765 -6.895 -4.287 1.00 1.03 H new ATOM 0 HB3 LYS A 53 -6.186 -6.151 -4.123 1.00 1.03 H new ATOM 0 HG2 LYS A 53 -5.131 -7.789 -5.487 1.00 61.12 H new ATOM 0 HG3 LYS A 53 -6.460 -8.919 -5.324 1.00 61.12 H new ATOM 0 HD2 LYS A 53 -6.692 -8.128 -7.495 1.00 32.21 H new ATOM 0 HD3 LYS A 53 -7.888 -7.218 -6.593 1.00 32.21 H new ATOM 0 HE2 LYS A 53 -6.867 -5.749 -8.187 1.00 61.42 H new ATOM 0 HE3 LYS A 53 -6.355 -5.249 -6.588 1.00 61.42 H new ATOM 0 HZ1 LYS A 53 -4.726 -5.724 -8.681 1.00 22.30 H new ATOM 0 HZ2 LYS A 53 -4.243 -5.676 -7.054 1.00 22.30 H new ATOM 0 HZ3 LYS A 53 -4.585 -7.166 -7.794 1.00 22.30 H new ATOM 791 N GLU A 54 -5.176 -9.889 -3.256 1.00 13.12 N ATOM 792 CA GLU A 54 -3.967 -10.673 -3.519 1.00 53.44 C ATOM 793 C GLU A 54 -4.084 -11.466 -4.832 1.00 65.51 C ATOM 794 O GLU A 54 -3.142 -12.155 -5.228 1.00 50.11 O ATOM 795 CB GLU A 54 -3.636 -11.587 -2.321 1.00 65.45 C ATOM 796 CG GLU A 54 -4.556 -12.814 -2.128 1.00 53.22 C ATOM 797 CD GLU A 54 -3.944 -13.940 -1.274 1.00 52.11 C ATOM 798 OE1 GLU A 54 -2.766 -14.305 -1.488 1.00 11.03 O ATOM 799 OE2 GLU A 54 -4.676 -14.537 -0.441 1.00 73.25 O ATOM 0 H GLU A 54 -6.036 -10.409 -3.428 1.00 13.12 H new ATOM 0 HA GLU A 54 -3.135 -9.980 -3.643 1.00 53.44 H new ATOM 0 HB2 GLU A 54 -2.611 -11.941 -2.432 1.00 65.45 H new ATOM 0 HB3 GLU A 54 -3.669 -10.987 -1.412 1.00 65.45 H new ATOM 0 HG2 GLU A 54 -5.486 -12.486 -1.663 1.00 53.22 H new ATOM 0 HG3 GLU A 54 -4.814 -13.217 -3.107 1.00 53.22 H new ATOM 806 N GLU A 55 -5.259 -11.430 -5.476 1.00 74.23 N ATOM 807 CA GLU A 55 -5.776 -12.563 -6.253 1.00 24.40 C ATOM 808 C GLU A 55 -6.567 -12.163 -7.502 1.00 5.24 C ATOM 809 O GLU A 55 -7.332 -12.953 -8.052 1.00 22.12 O ATOM 810 CB GLU A 55 -6.660 -13.401 -5.315 1.00 64.33 C ATOM 811 CG GLU A 55 -6.136 -14.825 -5.231 1.00 30.10 C ATOM 812 CD GLU A 55 -7.071 -15.643 -4.351 1.00 21.43 C ATOM 813 OE1 GLU A 55 -6.954 -15.608 -3.105 1.00 32.54 O ATOM 814 OE2 GLU A 55 -8.012 -16.260 -4.897 1.00 1.21 O ATOM 0 H GLU A 55 -5.875 -10.617 -5.473 1.00 74.23 H new ATOM 0 HA GLU A 55 -4.922 -13.127 -6.627 1.00 24.40 H new ATOM 0 HB2 GLU A 55 -6.676 -12.953 -4.322 1.00 64.33 H new ATOM 0 HB3 GLU A 55 -7.687 -13.405 -5.679 1.00 64.33 H new ATOM 0 HG2 GLU A 55 -6.076 -15.264 -6.227 1.00 30.10 H new ATOM 0 HG3 GLU A 55 -5.127 -14.832 -4.818 1.00 30.10 H new ATOM 821 N GLY A 56 -6.456 -10.910 -7.925 1.00 73.43 N ATOM 822 CA GLY A 56 -7.332 -10.364 -8.965 1.00 12.34 C ATOM 823 C GLY A 56 -8.773 -10.154 -8.484 1.00 45.14 C ATOM 824 O GLY A 56 -9.673 -9.956 -9.303 1.00 44.01 O ATOM 0 H GLY A 56 -5.768 -10.248 -7.566 1.00 73.43 H new ATOM 0 HA2 GLY A 56 -6.928 -9.413 -9.310 1.00 12.34 H new ATOM 0 HA3 GLY A 56 -7.335 -11.039 -9.821 1.00 12.34 H new ATOM 828 N LYS A 57 -9.018 -10.176 -7.168 1.00 70.23 N ATOM 829 CA LYS A 57 -10.300 -9.835 -6.565 1.00 54.35 C ATOM 830 C LYS A 57 -10.034 -9.141 -5.244 1.00 64.13 C ATOM 831 O LYS A 57 -8.947 -9.290 -4.686 1.00 42.12 O ATOM 832 CB LYS A 57 -11.171 -11.090 -6.391 1.00 12.22 C ATOM 833 CG LYS A 57 -10.521 -12.286 -5.658 1.00 3.20 C ATOM 834 CD LYS A 57 -11.166 -12.587 -4.299 1.00 14.31 C ATOM 835 CE LYS A 57 -10.724 -13.954 -3.768 1.00 12.20 C ATOM 836 NZ LYS A 57 -10.844 -14.062 -2.298 1.00 71.51 N ATOM 0 H LYS A 57 -8.310 -10.438 -6.482 1.00 70.23 H new ATOM 0 HA LYS A 57 -10.857 -9.160 -7.215 1.00 54.35 H new ATOM 0 HB2 LYS A 57 -12.073 -10.807 -5.848 1.00 12.22 H new ATOM 0 HB3 LYS A 57 -11.486 -11.426 -7.379 1.00 12.22 H new ATOM 0 HG2 LYS A 57 -10.590 -13.172 -6.290 1.00 3.20 H new ATOM 0 HG3 LYS A 57 -9.460 -12.081 -5.512 1.00 3.20 H new ATOM 0 HD2 LYS A 57 -10.894 -11.811 -3.584 1.00 14.31 H new ATOM 0 HD3 LYS A 57 -12.251 -12.565 -4.396 1.00 14.31 H new ATOM 0 HE2 LYS A 57 -11.326 -14.733 -4.236 1.00 12.20 H new ATOM 0 HE3 LYS A 57 -9.689 -14.134 -4.058 1.00 12.20 H new ATOM 0 HZ1 LYS A 57 -10.532 -15.006 -1.993 1.00 71.51 H new ATOM 0 HZ2 LYS A 57 -10.249 -13.338 -1.847 1.00 71.51 H new ATOM 0 HZ3 LYS A 57 -11.836 -13.918 -2.019 1.00 71.51 H new ATOM 850 N PHE A 58 -11.001 -8.371 -4.756 1.00 25.51 N ATOM 851 CA PHE A 58 -10.868 -7.712 -3.459 1.00 63.15 C ATOM 852 C PHE A 58 -11.200 -8.706 -2.346 1.00 63.54 C ATOM 853 O PHE A 58 -11.825 -9.748 -2.588 1.00 25.31 O ATOM 854 CB PHE A 58 -11.772 -6.467 -3.388 1.00 54.24 C ATOM 855 CG PHE A 58 -11.183 -5.174 -3.941 1.00 70.31 C ATOM 856 CD1 PHE A 58 -10.194 -5.175 -4.948 1.00 65.43 C ATOM 857 CD2 PHE A 58 -11.654 -3.943 -3.444 1.00 42.24 C ATOM 858 CE1 PHE A 58 -9.698 -3.963 -5.457 1.00 31.52 C ATOM 859 CE2 PHE A 58 -11.153 -2.731 -3.949 1.00 42.25 C ATOM 860 CZ PHE A 58 -10.186 -2.742 -4.967 1.00 44.12 C ATOM 0 H PHE A 58 -11.882 -8.188 -5.236 1.00 25.51 H new ATOM 0 HA PHE A 58 -9.840 -7.375 -3.328 1.00 63.15 H new ATOM 0 HB2 PHE A 58 -12.694 -6.682 -3.928 1.00 54.24 H new ATOM 0 HB3 PHE A 58 -12.045 -6.301 -2.346 1.00 54.24 H new ATOM 0 HD1 PHE A 58 -9.817 -6.112 -5.329 1.00 65.43 H new ATOM 0 HD2 PHE A 58 -12.406 -3.931 -2.669 1.00 42.24 H new ATOM 0 HE1 PHE A 58 -8.940 -3.971 -6.226 1.00 31.52 H new ATOM 0 HE2 PHE A 58 -11.512 -1.792 -3.554 1.00 42.25 H new ATOM 0 HZ PHE A 58 -9.818 -1.811 -5.373 1.00 44.12 H new ATOM 870 N LYS A 59 -10.803 -8.372 -1.120 1.00 13.11 N ATOM 871 CA LYS A 59 -11.337 -8.933 0.104 1.00 64.44 C ATOM 872 C LYS A 59 -11.562 -7.822 1.132 1.00 30.13 C ATOM 873 O LYS A 59 -11.262 -6.642 0.894 1.00 25.30 O ATOM 874 CB LYS A 59 -10.448 -10.077 0.631 1.00 43.34 C ATOM 875 CG LYS A 59 -9.116 -9.634 1.274 1.00 33.53 C ATOM 876 CD LYS A 59 -8.789 -10.425 2.554 1.00 12.42 C ATOM 877 CE LYS A 59 -8.099 -11.755 2.249 1.00 10.43 C ATOM 878 NZ LYS A 59 -8.106 -12.694 3.391 1.00 44.05 N ATOM 0 H LYS A 59 -10.074 -7.678 -0.953 1.00 13.11 H new ATOM 0 HA LYS A 59 -12.308 -9.384 -0.101 1.00 64.44 H new ATOM 0 HB2 LYS A 59 -11.016 -10.647 1.366 1.00 43.34 H new ATOM 0 HB3 LYS A 59 -10.227 -10.753 -0.195 1.00 43.34 H new ATOM 0 HG2 LYS A 59 -8.308 -9.763 0.554 1.00 33.53 H new ATOM 0 HG3 LYS A 59 -9.166 -8.571 1.510 1.00 33.53 H new ATOM 0 HD2 LYS A 59 -8.147 -9.823 3.197 1.00 12.42 H new ATOM 0 HD3 LYS A 59 -9.709 -10.613 3.108 1.00 12.42 H new ATOM 0 HE2 LYS A 59 -8.592 -12.225 1.398 1.00 10.43 H new ATOM 0 HE3 LYS A 59 -7.068 -11.562 1.953 1.00 10.43 H new ATOM 0 HZ1 LYS A 59 -7.624 -13.575 3.119 1.00 44.05 H new ATOM 0 HZ2 LYS A 59 -7.611 -12.263 4.198 1.00 44.05 H new ATOM 0 HZ3 LYS A 59 -9.088 -12.906 3.660 1.00 44.05 H new ATOM 892 N GLU A 60 -12.103 -8.244 2.263 1.00 10.44 N ATOM 893 CA GLU A 60 -12.359 -7.503 3.492 1.00 65.32 C ATOM 894 C GLU A 60 -11.082 -7.421 4.342 1.00 11.01 C ATOM 895 O GLU A 60 -10.058 -8.003 3.985 1.00 53.34 O ATOM 896 CB GLU A 60 -13.477 -8.199 4.271 1.00 4.33 C ATOM 897 CG GLU A 60 -13.223 -9.704 4.338 1.00 65.11 C ATOM 898 CD GLU A 60 -13.550 -10.284 5.700 1.00 4.02 C ATOM 899 OE1 GLU A 60 -12.631 -10.293 6.550 1.00 4.12 O ATOM 900 OE2 GLU A 60 -14.692 -10.748 5.897 1.00 72.33 O ATOM 0 H GLU A 60 -12.406 -9.214 2.354 1.00 10.44 H new ATOM 0 HA GLU A 60 -12.668 -6.487 3.247 1.00 65.32 H new ATOM 0 HB2 GLU A 60 -13.536 -7.789 5.279 1.00 4.33 H new ATOM 0 HB3 GLU A 60 -14.437 -8.007 3.792 1.00 4.33 H new ATOM 0 HG2 GLU A 60 -13.823 -10.205 3.579 1.00 65.11 H new ATOM 0 HG3 GLU A 60 -12.178 -9.904 4.102 1.00 65.11 H new ATOM 907 N ASN A 61 -11.135 -6.779 5.513 1.00 71.13 N ATOM 908 CA ASN A 61 -10.011 -6.700 6.445 1.00 34.13 C ATOM 909 C ASN A 61 -10.488 -6.959 7.873 1.00 11.03 C ATOM 910 O ASN A 61 -11.449 -6.330 8.312 1.00 73.31 O ATOM 911 CB ASN A 61 -9.354 -5.316 6.342 1.00 10.23 C ATOM 912 CG ASN A 61 -8.076 -5.226 7.166 1.00 30.21 C ATOM 913 OD1 ASN A 61 -7.648 -6.181 7.800 1.00 2.40 O ATOM 914 ND2 ASN A 61 -7.420 -4.086 7.169 1.00 50.33 N ATOM 0 H ASN A 61 -11.970 -6.295 5.842 1.00 71.13 H new ATOM 0 HA ASN A 61 -9.276 -7.462 6.186 1.00 34.13 H new ATOM 0 HB2 ASN A 61 -9.128 -5.099 5.298 1.00 10.23 H new ATOM 0 HB3 ASN A 61 -10.057 -4.555 6.680 1.00 10.23 H new ATOM 0 HD21 ASN A 61 -6.554 -3.997 7.700 1.00 50.33 H new ATOM 0 HD22 ASN A 61 -7.778 -3.290 6.640 1.00 50.33 H new ATOM 921 N THR A 62 -9.809 -7.843 8.610 1.00 41.42 N ATOM 922 CA THR A 62 -10.094 -8.158 10.010 1.00 75.53 C ATOM 923 C THR A 62 -9.617 -7.067 10.983 1.00 20.21 C ATOM 924 O THR A 62 -9.819 -7.162 12.199 1.00 4.43 O ATOM 925 CB THR A 62 -9.476 -9.526 10.349 1.00 63.55 C ATOM 926 OG1 THR A 62 -8.070 -9.467 10.223 1.00 12.20 O ATOM 927 CG2 THR A 62 -9.948 -10.637 9.405 1.00 61.24 C ATOM 0 H THR A 62 -9.023 -8.374 8.236 1.00 41.42 H new ATOM 0 HA THR A 62 -11.176 -8.201 10.134 1.00 75.53 H new ATOM 0 HB THR A 62 -9.790 -9.752 11.368 1.00 63.55 H new ATOM 0 HG1 THR A 62 -7.685 -10.341 10.442 1.00 12.20 H new ATOM 0 HG21 THR A 62 -9.481 -11.580 9.690 1.00 61.24 H new ATOM 0 HG22 THR A 62 -11.032 -10.734 9.471 1.00 61.24 H new ATOM 0 HG23 THR A 62 -9.668 -10.388 8.381 1.00 61.24 H new ATOM 935 N SER A 63 -8.980 -6.030 10.451 1.00 25.42 N ATOM 936 CA SER A 63 -8.479 -4.863 11.149 1.00 43.12 C ATOM 937 C SER A 63 -8.824 -3.622 10.318 1.00 73.41 C ATOM 938 O SER A 63 -9.539 -3.696 9.315 1.00 63.21 O ATOM 939 CB SER A 63 -6.972 -5.059 11.405 1.00 1.32 C ATOM 940 OG SER A 63 -6.413 -4.061 12.247 1.00 41.04 O ATOM 0 H SER A 63 -8.789 -5.984 9.450 1.00 25.42 H new ATOM 0 HA SER A 63 -8.943 -4.723 12.126 1.00 43.12 H new ATOM 0 HB2 SER A 63 -6.811 -6.038 11.856 1.00 1.32 H new ATOM 0 HB3 SER A 63 -6.445 -5.057 10.451 1.00 1.32 H new ATOM 0 HG SER A 63 -5.574 -4.390 12.632 1.00 41.04 H new ATOM 946 N TYR A 64 -8.343 -2.464 10.753 1.00 30.44 N ATOM 947 CA TYR A 64 -8.357 -1.209 10.008 1.00 71.31 C ATOM 948 C TYR A 64 -6.947 -0.610 9.932 1.00 5.42 C ATOM 949 O TYR A 64 -6.676 0.263 9.112 1.00 50.33 O ATOM 950 CB TYR A 64 -9.378 -0.249 10.648 1.00 62.41 C ATOM 951 CG TYR A 64 -10.834 -0.611 10.390 1.00 30.31 C ATOM 952 CD1 TYR A 64 -11.300 -0.764 9.071 1.00 23.13 C ATOM 953 CD2 TYR A 64 -11.731 -0.791 11.459 1.00 65.12 C ATOM 954 CE1 TYR A 64 -12.630 -1.127 8.813 1.00 72.15 C ATOM 955 CE2 TYR A 64 -13.063 -1.178 11.218 1.00 25.30 C ATOM 956 CZ TYR A 64 -13.509 -1.364 9.890 1.00 5.21 C ATOM 957 OH TYR A 64 -14.788 -1.763 9.657 1.00 25.50 O ATOM 0 H TYR A 64 -7.914 -2.369 11.674 1.00 30.44 H new ATOM 0 HA TYR A 64 -8.669 -1.389 8.979 1.00 71.31 H new ATOM 0 HB2 TYR A 64 -9.208 -0.224 11.724 1.00 62.41 H new ATOM 0 HB3 TYR A 64 -9.195 0.758 10.273 1.00 62.41 H new ATOM 0 HD1 TYR A 64 -10.624 -0.599 8.245 1.00 23.13 H new ATOM 0 HD2 TYR A 64 -11.395 -0.631 12.473 1.00 65.12 H new ATOM 0 HE1 TYR A 64 -12.979 -1.224 7.796 1.00 72.15 H new ATOM 0 HE2 TYR A 64 -13.741 -1.332 12.044 1.00 25.30 H new ATOM 0 HH TYR A 64 -15.254 -1.881 10.511 1.00 25.50 H new ATOM 967 N LYS A 65 -6.017 -1.103 10.750 1.00 74.22 N ATOM 968 CA LYS A 65 -4.683 -0.543 10.949 1.00 74.21 C ATOM 969 C LYS A 65 -3.607 -1.599 10.717 1.00 31.14 C ATOM 970 O LYS A 65 -2.427 -1.268 10.751 1.00 44.03 O ATOM 971 CB LYS A 65 -4.589 0.132 12.334 1.00 62.43 C ATOM 972 CG LYS A 65 -5.446 -0.524 13.434 1.00 53.44 C ATOM 973 CD LYS A 65 -5.261 0.199 14.769 1.00 50.12 C ATOM 974 CE LYS A 65 -6.231 -0.370 15.808 1.00 10.40 C ATOM 975 NZ LYS A 65 -6.996 0.683 16.510 1.00 64.22 N ATOM 0 H LYS A 65 -6.180 -1.937 11.314 1.00 74.22 H new ATOM 0 HA LYS A 65 -4.504 0.235 10.207 1.00 74.21 H new ATOM 0 HB2 LYS A 65 -3.547 0.128 12.654 1.00 62.43 H new ATOM 0 HB3 LYS A 65 -4.888 1.176 12.235 1.00 62.43 H new ATOM 0 HG2 LYS A 65 -6.497 -0.501 13.145 1.00 53.44 H new ATOM 0 HG3 LYS A 65 -5.168 -1.572 13.541 1.00 53.44 H new ATOM 0 HD2 LYS A 65 -4.234 0.084 15.116 1.00 50.12 H new ATOM 0 HD3 LYS A 65 -5.436 1.267 14.641 1.00 50.12 H new ATOM 0 HE2 LYS A 65 -6.925 -1.051 15.316 1.00 10.40 H new ATOM 0 HE3 LYS A 65 -5.673 -0.956 16.538 1.00 10.40 H new ATOM 0 HZ1 LYS A 65 -7.637 0.244 17.201 1.00 64.22 H new ATOM 0 HZ2 LYS A 65 -6.338 1.320 17.003 1.00 64.22 H new ATOM 0 HZ3 LYS A 65 -7.552 1.227 15.820 1.00 64.22 H new ATOM 989 N GLU A 66 -3.990 -2.835 10.409 1.00 73.21 N ATOM 990 CA GLU A 66 -3.109 -3.873 9.908 1.00 62.35 C ATOM 991 C GLU A 66 -3.812 -4.597 8.767 1.00 51.13 C ATOM 992 O GLU A 66 -4.996 -4.371 8.512 1.00 74.11 O ATOM 993 CB GLU A 66 -2.776 -4.878 11.033 1.00 13.22 C ATOM 994 CG GLU A 66 -1.560 -4.497 11.887 1.00 1.44 C ATOM 995 CD GLU A 66 -1.727 -4.994 13.325 1.00 33.10 C ATOM 996 OE1 GLU A 66 -2.659 -4.503 14.003 1.00 0.00 O ATOM 997 OE2 GLU A 66 -0.962 -5.868 13.805 1.00 1.20 O ATOM 0 H GLU A 66 -4.956 -3.147 10.506 1.00 73.21 H new ATOM 0 HA GLU A 66 -2.180 -3.426 9.555 1.00 62.35 H new ATOM 0 HB2 GLU A 66 -3.645 -4.976 11.684 1.00 13.22 H new ATOM 0 HB3 GLU A 66 -2.599 -5.857 10.588 1.00 13.22 H new ATOM 0 HG2 GLU A 66 -0.657 -4.925 11.452 1.00 1.44 H new ATOM 0 HG3 GLU A 66 -1.433 -3.414 11.884 1.00 1.44 H new ATOM 1004 N PHE A 67 -3.077 -5.497 8.120 1.00 14.00 N ATOM 1005 CA PHE A 67 -3.578 -6.750 7.580 1.00 52.22 C ATOM 1006 C PHE A 67 -2.378 -7.687 7.500 1.00 32.21 C ATOM 1007 O PHE A 67 -1.447 -7.424 6.738 1.00 62.11 O ATOM 1008 CB PHE A 67 -4.203 -6.564 6.195 1.00 33.50 C ATOM 1009 CG PHE A 67 -4.710 -7.839 5.548 1.00 34.43 C ATOM 1010 CD1 PHE A 67 -5.932 -8.420 5.949 1.00 30.51 C ATOM 1011 CD2 PHE A 67 -3.969 -8.428 4.504 1.00 53.33 C ATOM 1012 CE1 PHE A 67 -6.405 -9.571 5.300 1.00 12.21 C ATOM 1013 CE2 PHE A 67 -4.454 -9.576 3.856 1.00 52.33 C ATOM 1014 CZ PHE A 67 -5.658 -10.153 4.269 1.00 21.40 C ATOM 0 H PHE A 67 -2.079 -5.365 7.953 1.00 14.00 H new ATOM 0 HA PHE A 67 -4.366 -7.152 8.218 1.00 52.22 H new ATOM 0 HB2 PHE A 67 -5.032 -5.861 6.278 1.00 33.50 H new ATOM 0 HB3 PHE A 67 -3.463 -6.109 5.537 1.00 33.50 H new ATOM 0 HD1 PHE A 67 -6.502 -7.980 6.754 1.00 30.51 H new ATOM 0 HD2 PHE A 67 -3.027 -7.996 4.202 1.00 53.33 H new ATOM 0 HE1 PHE A 67 -7.347 -10.008 5.596 1.00 12.21 H new ATOM 0 HE2 PHE A 67 -3.897 -10.012 3.040 1.00 52.33 H new ATOM 0 HZ PHE A 67 -6.014 -11.053 3.790 1.00 21.40 H new ATOM 1024 N ASP A 68 -2.371 -8.757 8.285 1.00 74.34 N ATOM 1025 CA ASP A 68 -1.554 -9.924 7.963 1.00 33.21 C ATOM 1026 C ASP A 68 -2.251 -10.668 6.830 1.00 33.32 C ATOM 1027 O ASP A 68 -3.422 -11.033 6.947 1.00 3.24 O ATOM 1028 CB ASP A 68 -1.327 -10.800 9.202 1.00 1.44 C ATOM 1029 CG ASP A 68 -1.202 -12.292 8.886 1.00 42.31 C ATOM 1030 OD1 ASP A 68 -0.305 -12.673 8.104 1.00 44.35 O ATOM 1031 OD2 ASP A 68 -2.000 -13.075 9.456 1.00 74.45 O ATOM 0 H ASP A 68 -2.916 -8.843 9.143 1.00 74.34 H new ATOM 0 HA ASP A 68 -0.558 -9.626 7.637 1.00 33.21 H new ATOM 0 HB2 ASP A 68 -0.421 -10.468 9.710 1.00 1.44 H new ATOM 0 HB3 ASP A 68 -2.154 -10.653 9.897 1.00 1.44 H new ATOM 1036 N GLY A 69 -1.544 -10.839 5.723 1.00 22.21 N ATOM 1037 CA GLY A 69 -1.958 -11.528 4.519 1.00 73.31 C ATOM 1038 C GLY A 69 -1.008 -12.677 4.224 1.00 11.43 C ATOM 1039 O GLY A 69 -0.706 -12.905 3.058 1.00 45.12 O ATOM 0 H GLY A 69 -0.596 -10.471 5.641 1.00 22.21 H new ATOM 0 HA2 GLY A 69 -2.973 -11.906 4.638 1.00 73.31 H new ATOM 0 HA3 GLY A 69 -1.973 -10.833 3.679 1.00 73.31 H new ATOM 1043 N GLY A 70 -0.487 -13.343 5.262 1.00 63.25 N ATOM 1044 CA GLY A 70 0.462 -14.437 5.157 1.00 41.35 C ATOM 1045 C GLY A 70 1.743 -13.959 4.495 1.00 64.15 C ATOM 1046 O GLY A 70 2.615 -13.417 5.179 1.00 4.43 O ATOM 0 H GLY A 70 -0.729 -13.120 6.228 1.00 63.25 H new ATOM 0 HA2 GLY A 70 0.682 -14.833 6.148 1.00 41.35 H new ATOM 0 HA3 GLY A 70 0.027 -15.251 4.578 1.00 41.35 H new ATOM 1050 N TRP A 71 1.859 -14.106 3.173 1.00 54.11 N ATOM 1051 CA TRP A 71 3.029 -13.662 2.419 1.00 21.42 C ATOM 1052 C TRP A 71 3.204 -12.136 2.380 1.00 31.40 C ATOM 1053 O TRP A 71 4.155 -11.655 1.764 1.00 44.25 O ATOM 1054 CB TRP A 71 3.026 -14.256 1.004 1.00 72.34 C ATOM 1055 CG TRP A 71 1.956 -13.830 0.033 1.00 74.51 C ATOM 1056 CD1 TRP A 71 0.743 -14.413 -0.078 1.00 30.33 C ATOM 1057 CD2 TRP A 71 1.995 -12.816 -1.024 1.00 22.52 C ATOM 1058 NE1 TRP A 71 0.023 -13.832 -1.102 1.00 2.30 N ATOM 1059 CE2 TRP A 71 0.776 -12.886 -1.763 1.00 13.34 C ATOM 1060 CE3 TRP A 71 2.937 -11.857 -1.456 1.00 12.10 C ATOM 1061 CZ2 TRP A 71 0.534 -12.092 -2.895 1.00 2.11 C ATOM 1062 CZ3 TRP A 71 2.691 -11.036 -2.576 1.00 42.22 C ATOM 1063 CH2 TRP A 71 1.504 -11.165 -3.315 1.00 64.45 C ATOM 0 H TRP A 71 1.139 -14.539 2.595 1.00 54.11 H new ATOM 0 HA TRP A 71 3.895 -14.042 2.961 1.00 21.42 H new ATOM 0 HB2 TRP A 71 3.991 -14.029 0.550 1.00 72.34 H new ATOM 0 HB3 TRP A 71 2.967 -15.340 1.103 1.00 72.34 H new ATOM 0 HD1 TRP A 71 0.387 -15.219 0.546 1.00 30.33 H new ATOM 0 HE1 TRP A 71 -0.940 -14.071 -1.338 1.00 2.30 H new ATOM 0 HE3 TRP A 71 3.867 -11.750 -0.917 1.00 12.10 H new ATOM 0 HZ2 TRP A 71 -0.393 -12.193 -3.441 1.00 2.11 H new ATOM 0 HZ3 TRP A 71 3.424 -10.299 -2.869 1.00 42.22 H new ATOM 0 HH2 TRP A 71 1.338 -10.560 -4.194 1.00 64.45 H new ATOM 1074 N TYR A 72 2.330 -11.354 3.009 1.00 14.10 N ATOM 1075 CA TYR A 72 2.228 -9.919 2.849 1.00 31.52 C ATOM 1076 C TYR A 72 1.773 -9.398 4.205 1.00 3.32 C ATOM 1077 O TYR A 72 0.976 -10.062 4.872 1.00 45.05 O ATOM 1078 CB TYR A 72 1.192 -9.659 1.748 1.00 54.21 C ATOM 1079 CG TYR A 72 1.274 -8.298 1.096 1.00 10.34 C ATOM 1080 CD1 TYR A 72 0.648 -7.187 1.689 1.00 53.01 C ATOM 1081 CD2 TYR A 72 1.901 -8.162 -0.157 1.00 70.52 C ATOM 1082 CE1 TYR A 72 0.681 -5.943 1.042 1.00 53.14 C ATOM 1083 CE2 TYR A 72 1.903 -6.930 -0.823 1.00 24.23 C ATOM 1084 CZ TYR A 72 1.313 -5.809 -0.212 1.00 11.42 C ATOM 1085 OH TYR A 72 1.311 -4.608 -0.842 1.00 14.30 O ATOM 0 H TYR A 72 1.648 -11.726 3.670 1.00 14.10 H new ATOM 0 HA TYR A 72 3.156 -9.427 2.558 1.00 31.52 H new ATOM 0 HB2 TYR A 72 1.306 -10.421 0.977 1.00 54.21 H new ATOM 0 HB3 TYR A 72 0.196 -9.781 2.173 1.00 54.21 H new ATOM 0 HD1 TYR A 72 0.144 -7.291 2.638 1.00 53.01 H new ATOM 0 HD2 TYR A 72 2.385 -9.015 -0.609 1.00 70.52 H new ATOM 0 HE1 TYR A 72 0.220 -5.084 1.506 1.00 53.14 H new ATOM 0 HE2 TYR A 72 2.355 -6.841 -1.800 1.00 24.23 H new ATOM 0 HH TYR A 72 1.724 -4.702 -1.726 1.00 14.30 H new ATOM 1095 N LEU A 73 2.264 -8.241 4.639 1.00 65.32 N ATOM 1096 CA LEU A 73 2.012 -7.726 5.976 1.00 24.32 C ATOM 1097 C LEU A 73 1.865 -6.217 5.892 1.00 61.21 C ATOM 1098 O LEU A 73 2.765 -5.540 5.389 1.00 70.55 O ATOM 1099 CB LEU A 73 3.174 -8.110 6.925 1.00 4.41 C ATOM 1100 CG LEU A 73 2.740 -8.664 8.294 1.00 4.31 C ATOM 1101 CD1 LEU A 73 1.637 -7.839 8.962 1.00 13.00 C ATOM 1102 CD2 LEU A 73 2.293 -10.120 8.163 1.00 54.32 C ATOM 0 H LEU A 73 2.851 -7.633 4.068 1.00 65.32 H new ATOM 0 HA LEU A 73 1.096 -8.160 6.377 1.00 24.32 H new ATOM 0 HB2 LEU A 73 3.797 -8.855 6.429 1.00 4.41 H new ATOM 0 HB3 LEU A 73 3.797 -7.230 7.087 1.00 4.41 H new ATOM 0 HG LEU A 73 3.616 -8.600 8.940 1.00 4.31 H new ATOM 0 HD11 LEU A 73 1.380 -8.286 9.922 1.00 13.00 H new ATOM 0 HD12 LEU A 73 1.989 -6.820 9.119 1.00 13.00 H new ATOM 0 HD13 LEU A 73 0.755 -7.824 8.321 1.00 13.00 H new ATOM 0 HD21 LEU A 73 1.989 -10.497 9.140 1.00 54.32 H new ATOM 0 HD22 LEU A 73 1.452 -10.182 7.473 1.00 54.32 H new ATOM 0 HD23 LEU A 73 3.119 -10.721 7.783 1.00 54.32 H new ATOM 1114 N VAL A 74 0.771 -5.666 6.406 1.00 12.23 N ATOM 1115 CA VAL A 74 0.455 -4.239 6.377 1.00 5.34 C ATOM 1116 C VAL A 74 0.239 -3.793 7.825 1.00 52.41 C ATOM 1117 O VAL A 74 -0.381 -4.522 8.599 1.00 52.32 O ATOM 1118 CB VAL A 74 -0.773 -3.967 5.466 1.00 2.34 C ATOM 1119 CG1 VAL A 74 -0.761 -2.535 4.925 1.00 10.21 C ATOM 1120 CG2 VAL A 74 -0.809 -4.903 4.242 1.00 41.04 C ATOM 0 H VAL A 74 0.052 -6.220 6.872 1.00 12.23 H new ATOM 0 HA VAL A 74 1.270 -3.659 5.945 1.00 5.34 H new ATOM 0 HB VAL A 74 -1.645 -4.139 6.097 1.00 2.34 H new ATOM 0 HG11 VAL A 74 -1.634 -2.378 4.291 1.00 10.21 H new ATOM 0 HG12 VAL A 74 -0.785 -1.831 5.757 1.00 10.21 H new ATOM 0 HG13 VAL A 74 0.145 -2.374 4.341 1.00 10.21 H new ATOM 0 HG21 VAL A 74 -1.685 -4.675 3.635 1.00 41.04 H new ATOM 0 HG22 VAL A 74 0.092 -4.758 3.647 1.00 41.04 H new ATOM 0 HG23 VAL A 74 -0.860 -5.939 4.577 1.00 41.04 H new ATOM 1130 N LYS A 75 0.753 -2.613 8.186 1.00 61.34 N ATOM 1131 CA LYS A 75 0.638 -1.947 9.488 1.00 41.44 C ATOM 1132 C LYS A 75 0.525 -0.439 9.258 1.00 12.40 C ATOM 1133 O LYS A 75 1.151 0.083 8.326 1.00 64.50 O ATOM 1134 CB LYS A 75 1.909 -2.211 10.321 1.00 63.51 C ATOM 1135 CG LYS A 75 1.884 -3.510 11.134 1.00 1.20 C ATOM 1136 CD LYS A 75 3.273 -3.885 11.672 1.00 31.24 C ATOM 1137 CE LYS A 75 4.275 -4.259 10.569 1.00 21.22 C ATOM 1138 NZ LYS A 75 5.588 -4.648 11.117 1.00 72.34 N ATOM 0 H LYS A 75 1.300 -2.058 7.528 1.00 61.34 H new ATOM 0 HA LYS A 75 -0.237 -2.328 10.014 1.00 41.44 H new ATOM 0 HB2 LYS A 75 2.768 -2.235 9.650 1.00 63.51 H new ATOM 0 HB3 LYS A 75 2.060 -1.374 11.003 1.00 63.51 H new ATOM 0 HG2 LYS A 75 1.191 -3.401 11.968 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.507 -4.320 10.510 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.671 -3.047 12.245 1.00 31.24 H new ATOM 0 HD3 LYS A 75 3.173 -4.724 12.361 1.00 31.24 H new ATOM 0 HE2 LYS A 75 3.872 -5.081 9.978 1.00 21.22 H new ATOM 0 HE3 LYS A 75 4.401 -3.413 9.893 1.00 21.22 H new ATOM 0 HZ1 LYS A 75 6.231 -4.892 10.337 1.00 72.34 H new ATOM 0 HZ2 LYS A 75 5.986 -3.855 11.660 1.00 72.34 H new ATOM 0 HZ3 LYS A 75 5.473 -5.472 11.741 1.00 72.34 H new ATOM 1152 N ILE A 76 -0.182 0.279 10.121 1.00 10.43 N ATOM 1153 CA ILE A 76 -0.249 1.733 10.185 1.00 44.05 C ATOM 1154 C ILE A 76 0.061 2.099 11.635 1.00 21.53 C ATOM 1155 O ILE A 76 -0.506 1.511 12.559 1.00 23.43 O ATOM 1156 CB ILE A 76 -1.642 2.238 9.736 1.00 44.05 C ATOM 1157 CG1 ILE A 76 -1.903 1.896 8.253 1.00 14.33 C ATOM 1158 CG2 ILE A 76 -1.770 3.759 9.955 1.00 32.41 C ATOM 1159 CD1 ILE A 76 -3.351 2.127 7.814 1.00 13.42 C ATOM 0 H ILE A 76 -0.758 -0.164 10.837 1.00 10.43 H new ATOM 0 HA ILE A 76 0.464 2.207 9.510 1.00 44.05 H new ATOM 0 HB ILE A 76 -2.390 1.731 10.346 1.00 44.05 H new ATOM 0 HG12 ILE A 76 -1.243 2.498 7.629 1.00 14.33 H new ATOM 0 HG13 ILE A 76 -1.642 0.852 8.079 1.00 14.33 H new ATOM 0 HG21 ILE A 76 -2.757 4.091 9.632 1.00 32.41 H new ATOM 0 HG22 ILE A 76 -1.638 3.987 11.013 1.00 32.41 H new ATOM 0 HG23 ILE A 76 -1.006 4.276 9.375 1.00 32.41 H new ATOM 0 HD11 ILE A 76 -3.458 1.865 6.761 1.00 13.42 H new ATOM 0 HD12 ILE A 76 -4.016 1.504 8.412 1.00 13.42 H new ATOM 0 HD13 ILE A 76 -3.611 3.176 7.955 1.00 13.42 H new ATOM 1171 N GLU A 77 0.941 3.071 11.853 1.00 51.41 N ATOM 1172 CA GLU A 77 1.355 3.563 13.142 1.00 1.14 C ATOM 1173 C GLU A 77 1.372 5.082 13.007 1.00 2.33 C ATOM 1174 O GLU A 77 2.141 5.610 12.207 1.00 23.55 O ATOM 1175 CB GLU A 77 2.745 3.027 13.486 1.00 64.10 C ATOM 1176 CG GLU A 77 2.907 1.500 13.386 1.00 4.04 C ATOM 1177 CD GLU A 77 4.320 1.090 13.806 1.00 61.24 C ATOM 1178 OE1 GLU A 77 5.288 1.583 13.183 1.00 45.14 O ATOM 1179 OE2 GLU A 77 4.478 0.267 14.738 1.00 42.31 O ATOM 0 H GLU A 77 1.404 3.557 11.085 1.00 51.41 H new ATOM 0 HA GLU A 77 0.688 3.242 13.942 1.00 1.14 H new ATOM 0 HB2 GLU A 77 3.471 3.497 12.823 1.00 64.10 H new ATOM 0 HB3 GLU A 77 2.994 3.336 14.501 1.00 64.10 H new ATOM 0 HG2 GLU A 77 2.173 1.007 14.023 1.00 4.04 H new ATOM 0 HG3 GLU A 77 2.714 1.173 12.364 1.00 4.04 H new ATOM 1186 N ASP A 78 0.485 5.757 13.737 1.00 70.42 N ATOM 1187 CA ASP A 78 0.146 7.184 13.624 1.00 63.22 C ATOM 1188 C ASP A 78 -0.141 7.636 12.192 1.00 13.32 C ATOM 1189 O ASP A 78 -1.295 7.620 11.782 1.00 54.43 O ATOM 1190 CB ASP A 78 1.164 8.084 14.335 1.00 53.04 C ATOM 1191 CG ASP A 78 0.599 9.499 14.502 1.00 44.02 C ATOM 1192 OD1 ASP A 78 -0.183 9.688 15.465 1.00 34.43 O ATOM 1193 OD2 ASP A 78 0.946 10.410 13.713 1.00 51.31 O ATOM 0 H ASP A 78 -0.053 5.297 14.471 1.00 70.42 H new ATOM 0 HA ASP A 78 -0.799 7.301 14.154 1.00 63.22 H new ATOM 0 HB2 ASP A 78 1.410 7.666 15.311 1.00 53.04 H new ATOM 0 HB3 ASP A 78 2.090 8.120 13.761 1.00 53.04 H new ATOM 1198 N ASN A 79 0.887 7.985 11.415 1.00 13.04 N ATOM 1199 CA ASN A 79 0.786 8.424 10.028 1.00 45.43 C ATOM 1200 C ASN A 79 1.764 7.697 9.109 1.00 23.14 C ATOM 1201 O ASN A 79 1.820 8.002 7.915 1.00 62.31 O ATOM 1202 CB ASN A 79 1.038 9.924 9.924 1.00 2.04 C ATOM 1203 CG ASN A 79 2.506 10.295 10.023 1.00 3.35 C ATOM 1204 OD1 ASN A 79 3.291 9.694 10.750 1.00 30.14 O ATOM 1205 ND2 ASN A 79 2.915 11.336 9.333 1.00 1.43 N ATOM 0 H ASN A 79 1.850 7.968 11.752 1.00 13.04 H new ATOM 0 HA ASN A 79 -0.227 8.185 9.703 1.00 45.43 H new ATOM 0 HB2 ASN A 79 0.642 10.287 8.976 1.00 2.04 H new ATOM 0 HB3 ASN A 79 0.488 10.433 10.715 1.00 2.04 H new ATOM 0 HD21 ASN A 79 3.885 11.644 9.402 1.00 1.43 H new ATOM 0 HD22 ASN A 79 2.263 11.836 8.729 1.00 1.43 H new ATOM 1212 N GLU A 80 2.573 6.788 9.645 1.00 65.54 N ATOM 1213 CA GLU A 80 3.445 5.948 8.854 1.00 25.23 C ATOM 1214 C GLU A 80 2.695 4.667 8.520 1.00 11.04 C ATOM 1215 O GLU A 80 1.964 4.124 9.349 1.00 24.35 O ATOM 1216 CB GLU A 80 4.756 5.645 9.595 1.00 12.02 C ATOM 1217 CG GLU A 80 5.736 6.823 9.594 1.00 74.24 C ATOM 1218 CD GLU A 80 7.129 6.449 10.111 1.00 42.04 C ATOM 1219 OE1 GLU A 80 7.287 5.629 11.049 1.00 62.50 O ATOM 1220 OE2 GLU A 80 8.118 6.967 9.549 1.00 61.32 O ATOM 0 H GLU A 80 2.637 6.618 10.649 1.00 65.54 H new ATOM 0 HA GLU A 80 3.720 6.468 7.936 1.00 25.23 H new ATOM 0 HB2 GLU A 80 4.529 5.371 10.625 1.00 12.02 H new ATOM 0 HB3 GLU A 80 5.235 4.782 9.134 1.00 12.02 H new ATOM 0 HG2 GLU A 80 5.824 7.213 8.580 1.00 74.24 H new ATOM 0 HG3 GLU A 80 5.330 7.626 10.210 1.00 74.24 H new ATOM 1227 N LEU A 81 2.933 4.144 7.326 1.00 45.40 N ATOM 1228 CA LEU A 81 2.433 2.883 6.797 1.00 25.34 C ATOM 1229 C LEU A 81 3.667 2.123 6.322 1.00 73.41 C ATOM 1230 O LEU A 81 4.457 2.680 5.565 1.00 23.25 O ATOM 1231 CB LEU A 81 1.440 3.205 5.668 1.00 22.14 C ATOM 1232 CG LEU A 81 1.127 2.041 4.700 1.00 2.41 C ATOM 1233 CD1 LEU A 81 -0.184 1.364 5.101 1.00 71.55 C ATOM 1234 CD2 LEU A 81 1.079 2.537 3.257 1.00 45.21 C ATOM 0 H LEU A 81 3.526 4.627 6.651 1.00 45.40 H new ATOM 0 HA LEU A 81 1.895 2.271 7.521 1.00 25.34 H new ATOM 0 HB2 LEU A 81 0.505 3.542 6.116 1.00 22.14 H new ATOM 0 HB3 LEU A 81 1.835 4.039 5.088 1.00 22.14 H new ATOM 0 HG LEU A 81 1.926 1.302 4.766 1.00 2.41 H new ATOM 0 HD11 LEU A 81 -0.396 0.545 4.413 1.00 71.55 H new ATOM 0 HD12 LEU A 81 -0.096 0.973 6.115 1.00 71.55 H new ATOM 0 HD13 LEU A 81 -0.996 2.091 5.061 1.00 71.55 H new ATOM 0 HD21 LEU A 81 0.857 1.702 2.592 1.00 45.21 H new ATOM 0 HD22 LEU A 81 0.302 3.295 3.159 1.00 45.21 H new ATOM 0 HD23 LEU A 81 2.043 2.969 2.988 1.00 45.21 H new ATOM 1246 N LYS A 82 3.878 0.884 6.765 1.00 72.54 N ATOM 1247 CA LYS A 82 5.067 0.103 6.427 1.00 4.41 C ATOM 1248 C LYS A 82 4.618 -1.284 6.025 1.00 24.53 C ATOM 1249 O LYS A 82 4.219 -2.086 6.870 1.00 14.11 O ATOM 1250 CB LYS A 82 6.074 0.004 7.587 1.00 41.01 C ATOM 1251 CG LYS A 82 6.488 1.361 8.171 1.00 43.12 C ATOM 1252 CD LYS A 82 6.951 1.319 9.634 1.00 71.12 C ATOM 1253 CE LYS A 82 7.009 2.766 10.131 1.00 63.30 C ATOM 1254 NZ LYS A 82 7.075 2.934 11.589 1.00 70.40 N ATOM 0 H LYS A 82 3.224 0.391 7.373 1.00 72.54 H new ATOM 0 HA LYS A 82 5.584 0.610 5.612 1.00 4.41 H new ATOM 0 HB2 LYS A 82 5.640 -0.604 8.380 1.00 41.01 H new ATOM 0 HB3 LYS A 82 6.965 -0.517 7.237 1.00 41.01 H new ATOM 0 HG2 LYS A 82 7.293 1.772 7.562 1.00 43.12 H new ATOM 0 HG3 LYS A 82 5.645 2.047 8.091 1.00 43.12 H new ATOM 0 HD2 LYS A 82 6.261 0.731 10.239 1.00 71.12 H new ATOM 0 HD3 LYS A 82 7.929 0.845 9.715 1.00 71.12 H new ATOM 0 HE2 LYS A 82 7.880 3.249 9.688 1.00 63.30 H new ATOM 0 HE3 LYS A 82 6.130 3.294 9.762 1.00 63.30 H new ATOM 0 HZ1 LYS A 82 7.162 3.945 11.818 1.00 70.40 H new ATOM 0 HZ2 LYS A 82 6.209 2.554 12.022 1.00 70.40 H new ATOM 0 HZ3 LYS A 82 7.901 2.422 11.960 1.00 70.40 H new ATOM 1268 N VAL A 83 4.684 -1.569 4.734 1.00 2.25 N ATOM 1269 CA VAL A 83 4.283 -2.853 4.186 1.00 24.35 C ATOM 1270 C VAL A 83 5.534 -3.718 4.053 1.00 34.24 C ATOM 1271 O VAL A 83 6.597 -3.221 3.666 1.00 11.05 O ATOM 1272 CB VAL A 83 3.495 -2.648 2.879 1.00 54.33 C ATOM 1273 CG1 VAL A 83 4.201 -1.735 1.866 1.00 52.40 C ATOM 1274 CG2 VAL A 83 3.155 -3.978 2.199 1.00 64.31 C ATOM 0 H VAL A 83 5.020 -0.910 4.032 1.00 2.25 H new ATOM 0 HA VAL A 83 3.595 -3.384 4.844 1.00 24.35 H new ATOM 0 HB VAL A 83 2.577 -2.150 3.191 1.00 54.33 H new ATOM 0 HG11 VAL A 83 3.585 -1.639 0.972 1.00 52.40 H new ATOM 0 HG12 VAL A 83 4.355 -0.751 2.309 1.00 52.40 H new ATOM 0 HG13 VAL A 83 5.165 -2.167 1.598 1.00 52.40 H new ATOM 0 HG21 VAL A 83 2.599 -3.786 1.281 1.00 64.31 H new ATOM 0 HG22 VAL A 83 4.076 -4.511 1.961 1.00 64.31 H new ATOM 0 HG23 VAL A 83 2.548 -4.585 2.870 1.00 64.31 H new ATOM 1284 N ILE A 84 5.423 -4.997 4.394 1.00 22.11 N ATOM 1285 CA ILE A 84 6.446 -6.013 4.233 1.00 3.35 C ATOM 1286 C ILE A 84 5.856 -7.095 3.335 1.00 32.21 C ATOM 1287 O ILE A 84 4.675 -7.424 3.438 1.00 70.32 O ATOM 1288 CB ILE A 84 6.888 -6.486 5.634 1.00 71.21 C ATOM 1289 CG1 ILE A 84 7.587 -5.309 6.359 1.00 65.20 C ATOM 1290 CG2 ILE A 84 7.814 -7.713 5.573 1.00 73.31 C ATOM 1291 CD1 ILE A 84 6.712 -4.578 7.379 1.00 32.15 C ATOM 0 H ILE A 84 4.570 -5.368 4.812 1.00 22.11 H new ATOM 0 HA ILE A 84 7.355 -5.657 3.748 1.00 3.35 H new ATOM 0 HB ILE A 84 6.002 -6.796 6.188 1.00 71.21 H new ATOM 0 HG12 ILE A 84 8.474 -5.688 6.867 1.00 65.20 H new ATOM 0 HG13 ILE A 84 7.929 -4.592 5.613 1.00 65.20 H new ATOM 0 HG21 ILE A 84 8.097 -8.006 6.584 1.00 73.31 H new ATOM 0 HG22 ILE A 84 7.293 -8.538 5.088 1.00 73.31 H new ATOM 0 HG23 ILE A 84 8.710 -7.465 5.004 1.00 73.31 H new ATOM 0 HD11 ILE A 84 7.284 -3.770 7.836 1.00 32.15 H new ATOM 0 HD12 ILE A 84 5.837 -4.164 6.878 1.00 32.15 H new ATOM 0 HD13 ILE A 84 6.391 -5.278 8.151 1.00 32.15 H new ATOM 1303 N ILE A 85 6.661 -7.612 2.409 1.00 30.24 N ATOM 1304 CA ILE A 85 6.247 -8.587 1.407 1.00 43.04 C ATOM 1305 C ILE A 85 7.299 -9.688 1.402 1.00 2.35 C ATOM 1306 O ILE A 85 8.490 -9.378 1.393 1.00 63.32 O ATOM 1307 CB ILE A 85 6.112 -7.914 0.019 1.00 2.11 C ATOM 1308 CG1 ILE A 85 5.229 -6.646 0.113 1.00 42.12 C ATOM 1309 CG2 ILE A 85 5.567 -8.933 -1.002 1.00 34.51 C ATOM 1310 CD1 ILE A 85 5.016 -5.913 -1.208 1.00 73.14 C ATOM 0 H ILE A 85 7.646 -7.356 2.334 1.00 30.24 H new ATOM 0 HA ILE A 85 5.269 -9.006 1.641 1.00 43.04 H new ATOM 0 HB ILE A 85 7.093 -7.590 -0.327 1.00 2.11 H new ATOM 0 HG12 ILE A 85 4.256 -6.927 0.517 1.00 42.12 H new ATOM 0 HG13 ILE A 85 5.683 -5.957 0.825 1.00 42.12 H new ATOM 0 HG21 ILE A 85 5.473 -8.456 -1.978 1.00 34.51 H new ATOM 0 HG22 ILE A 85 6.253 -9.777 -1.075 1.00 34.51 H new ATOM 0 HG23 ILE A 85 4.589 -9.287 -0.676 1.00 34.51 H new ATOM 0 HD11 ILE A 85 4.386 -5.039 -1.042 1.00 73.14 H new ATOM 0 HD12 ILE A 85 5.979 -5.595 -1.607 1.00 73.14 H new ATOM 0 HD13 ILE A 85 4.531 -6.580 -1.920 1.00 73.14 H new ATOM 1322 N ASN A 86 6.852 -10.943 1.374 1.00 33.21 N ATOM 1323 CA ASN A 86 7.690 -12.126 1.480 1.00 2.24 C ATOM 1324 C ASN A 86 7.749 -12.877 0.166 1.00 32.22 C ATOM 1325 O ASN A 86 7.027 -12.604 -0.805 1.00 45.40 O ATOM 1326 CB ASN A 86 7.170 -13.099 2.552 1.00 71.21 C ATOM 1327 CG ASN A 86 7.222 -12.521 3.939 1.00 3.05 C ATOM 1328 OD1 ASN A 86 8.164 -12.702 4.708 1.00 11.33 O ATOM 1329 ND2 ASN A 86 6.203 -11.780 4.292 1.00 61.43 N ATOM 0 H ASN A 86 5.862 -11.166 1.273 1.00 33.21 H new ATOM 0 HA ASN A 86 8.682 -11.770 1.756 1.00 2.24 H new ATOM 0 HB2 ASN A 86 6.142 -13.376 2.317 1.00 71.21 H new ATOM 0 HB3 ASN A 86 7.761 -14.014 2.523 1.00 71.21 H new ATOM 0 HD21 ASN A 86 6.184 -11.345 5.214 1.00 61.43 H new ATOM 0 HD22 ASN A 86 5.428 -11.637 3.645 1.00 61.43 H new ATOM 1336 N ARG A 87 8.628 -13.865 0.190 1.00 51.11 N ATOM 1337 CA ARG A 87 9.115 -14.579 -0.979 1.00 34.43 C ATOM 1338 C ARG A 87 8.087 -15.557 -1.547 1.00 44.33 C ATOM 1339 O ARG A 87 7.516 -16.392 -0.840 1.00 24.14 O ATOM 1340 CB ARG A 87 10.461 -15.226 -0.631 1.00 10.31 C ATOM 1341 CG ARG A 87 11.037 -15.990 -1.820 1.00 72.24 C ATOM 1342 CD ARG A 87 10.600 -17.461 -1.859 1.00 5.21 C ATOM 1343 NE ARG A 87 11.757 -18.355 -1.713 1.00 13.21 N ATOM 1344 CZ ARG A 87 11.798 -19.550 -1.111 1.00 60.10 C ATOM 1345 NH1 ARG A 87 10.780 -19.990 -0.370 1.00 20.45 N ATOM 1346 NH2 ARG A 87 12.886 -20.294 -1.242 1.00 60.31 N ATOM 0 H ARG A 87 9.038 -14.205 1.060 1.00 51.11 H new ATOM 0 HA ARG A 87 9.276 -13.873 -1.794 1.00 34.43 H new ATOM 0 HB2 ARG A 87 11.165 -14.456 -0.316 1.00 10.31 H new ATOM 0 HB3 ARG A 87 10.333 -15.905 0.212 1.00 10.31 H new ATOM 0 HG2 ARG A 87 10.727 -15.501 -2.743 1.00 72.24 H new ATOM 0 HG3 ARG A 87 12.125 -15.941 -1.783 1.00 72.24 H new ATOM 0 HD2 ARG A 87 9.884 -17.653 -1.060 1.00 5.21 H new ATOM 0 HD3 ARG A 87 10.091 -17.669 -2.800 1.00 5.21 H new ATOM 0 HE ARG A 87 12.633 -18.026 -2.119 1.00 13.21 H new ATOM 0 HH11 ARG A 87 9.948 -19.412 -0.253 1.00 20.45 H new ATOM 0 HH12 ARG A 87 10.834 -20.904 0.079 1.00 20.45 H new ATOM 0 HH21 ARG A 87 13.673 -19.953 -1.794 1.00 60.31 H new ATOM 0 HH22 ARG A 87 12.937 -21.207 -0.791 1.00 60.31 H new ATOM 1360 N ASN A 88 7.884 -15.449 -2.857 1.00 72.40 N ATOM 1361 CA ASN A 88 6.985 -16.246 -3.668 1.00 62.45 C ATOM 1362 C ASN A 88 7.577 -17.621 -3.897 1.00 34.12 C ATOM 1363 O ASN A 88 8.600 -17.730 -4.571 1.00 11.43 O ATOM 1364 CB ASN A 88 6.775 -15.570 -5.036 1.00 43.34 C ATOM 1365 CG ASN A 88 5.679 -16.214 -5.871 1.00 12.23 C ATOM 1366 OD1 ASN A 88 5.088 -17.228 -5.515 1.00 22.52 O ATOM 1367 ND2 ASN A 88 5.380 -15.608 -7.006 1.00 41.31 N ATOM 0 H ASN A 88 8.380 -14.752 -3.413 1.00 72.40 H new ATOM 0 HA ASN A 88 6.032 -16.334 -3.145 1.00 62.45 H new ATOM 0 HB2 ASN A 88 6.531 -14.519 -4.879 1.00 43.34 H new ATOM 0 HB3 ASN A 88 7.711 -15.600 -5.594 1.00 43.34 H new ATOM 0 HD21 ASN A 88 4.645 -15.982 -7.606 1.00 41.31 H new ATOM 0 HD22 ASN A 88 5.884 -14.766 -7.283 1.00 41.31 H new ATOM 1374 N GLU A 89 6.950 -18.669 -3.380 1.00 72.44 N ATOM 1375 CA GLU A 89 7.384 -20.039 -3.625 1.00 71.15 C ATOM 1376 C GLU A 89 6.615 -20.695 -4.785 1.00 73.43 C ATOM 1377 O GLU A 89 6.545 -21.922 -4.838 1.00 72.25 O ATOM 1378 CB GLU A 89 7.421 -20.839 -2.309 1.00 31.20 C ATOM 1379 CG GLU A 89 6.102 -20.959 -1.534 1.00 14.33 C ATOM 1380 CD GLU A 89 6.275 -21.705 -0.204 1.00 62.52 C ATOM 1381 OE1 GLU A 89 7.219 -21.379 0.551 1.00 55.12 O ATOM 1382 OE2 GLU A 89 5.446 -22.594 0.123 1.00 23.32 O ATOM 0 H GLU A 89 6.128 -18.595 -2.780 1.00 72.44 H new ATOM 0 HA GLU A 89 8.414 -20.031 -3.982 1.00 71.15 H new ATOM 0 HB2 GLU A 89 7.776 -21.845 -2.533 1.00 31.20 H new ATOM 0 HB3 GLU A 89 8.160 -20.379 -1.653 1.00 31.20 H new ATOM 0 HG2 GLU A 89 5.705 -19.963 -1.340 1.00 14.33 H new ATOM 0 HG3 GLU A 89 5.368 -21.481 -2.148 1.00 14.33 H new ATOM 1389 N THR A 90 6.066 -19.926 -5.739 1.00 33.11 N ATOM 1390 CA THR A 90 5.473 -20.480 -6.957 1.00 4.22 C ATOM 1391 C THR A 90 5.919 -19.745 -8.227 1.00 44.04 C ATOM 1392 O THR A 90 6.397 -18.608 -8.209 1.00 5.14 O ATOM 1393 CB THR A 90 3.937 -20.539 -6.848 1.00 3.14 C ATOM 1394 OG1 THR A 90 3.345 -19.258 -6.728 1.00 70.53 O ATOM 1395 CG2 THR A 90 3.461 -21.422 -5.695 1.00 62.23 C ATOM 0 H THR A 90 6.023 -18.908 -5.684 1.00 33.11 H new ATOM 0 HA THR A 90 5.847 -21.500 -7.050 1.00 4.22 H new ATOM 0 HB THR A 90 3.610 -20.985 -7.787 1.00 3.14 H new ATOM 0 HG1 THR A 90 3.984 -18.640 -6.316 1.00 70.53 H new ATOM 0 HG21 THR A 90 2.371 -21.426 -5.666 1.00 62.23 H new ATOM 0 HG22 THR A 90 3.824 -22.439 -5.842 1.00 62.23 H new ATOM 0 HG23 THR A 90 3.847 -21.031 -4.754 1.00 62.23 H new ATOM 1403 N ASN A 91 5.703 -20.412 -9.362 1.00 51.42 N ATOM 1404 CA ASN A 91 5.924 -19.929 -10.726 1.00 25.11 C ATOM 1405 C ASN A 91 4.918 -18.866 -11.190 1.00 72.55 C ATOM 1406 O ASN A 91 5.049 -18.340 -12.298 1.00 1.11 O ATOM 1407 CB ASN A 91 5.875 -21.114 -11.693 1.00 32.21 C ATOM 1408 CG ASN A 91 4.476 -21.696 -11.719 1.00 34.22 C ATOM 1409 OD1 ASN A 91 3.570 -21.148 -12.326 1.00 22.40 O ATOM 1410 ND2 ASN A 91 4.249 -22.767 -10.973 1.00 4.11 N ATOM 0 H ASN A 91 5.345 -21.367 -9.352 1.00 51.42 H new ATOM 0 HA ASN A 91 6.902 -19.448 -10.723 1.00 25.11 H new ATOM 0 HB2 ASN A 91 6.163 -20.791 -12.693 1.00 32.21 H new ATOM 0 HB3 ASN A 91 6.591 -21.876 -11.385 1.00 32.21 H new ATOM 0 HD21 ASN A 91 3.305 -23.146 -10.899 1.00 4.11 H new ATOM 0 HD22 ASN A 91 5.018 -23.212 -10.473 1.00 4.11 H new ATOM 1417 N ALA A 92 3.902 -18.557 -10.385 1.00 24.23 N ATOM 1418 CA ALA A 92 2.878 -17.601 -10.765 1.00 34.51 C ATOM 1419 C ALA A 92 3.286 -16.243 -10.225 1.00 12.13 C ATOM 1420 O ALA A 92 3.573 -16.114 -9.036 1.00 50.04 O ATOM 1421 CB ALA A 92 1.521 -18.013 -10.200 1.00 51.13 C ATOM 0 H ALA A 92 3.771 -18.963 -9.458 1.00 24.23 H new ATOM 0 HA ALA A 92 2.784 -17.564 -11.850 1.00 34.51 H new ATOM 0 HB1 ALA A 92 0.767 -17.284 -10.496 1.00 51.13 H new ATOM 0 HB2 ALA A 92 1.248 -18.995 -10.588 1.00 51.13 H new ATOM 0 HB3 ALA A 92 1.577 -18.055 -9.112 1.00 51.13 H new ATOM 1427 N SER A 93 3.282 -15.223 -11.076 1.00 52.32 N ATOM 1428 CA SER A 93 3.210 -13.847 -10.651 1.00 11.14 C ATOM 1429 C SER A 93 1.813 -13.623 -10.049 1.00 51.23 C ATOM 1430 O SER A 93 0.885 -14.390 -10.322 1.00 2.01 O ATOM 1431 CB SER A 93 3.496 -12.962 -11.873 1.00 24.43 C ATOM 1432 OG SER A 93 2.997 -13.479 -13.105 1.00 3.01 O ATOM 0 H SER A 93 3.329 -15.339 -12.088 1.00 52.32 H new ATOM 0 HA SER A 93 3.945 -13.593 -9.887 1.00 11.14 H new ATOM 0 HB2 SER A 93 3.060 -11.977 -11.703 1.00 24.43 H new ATOM 0 HB3 SER A 93 4.573 -12.823 -11.961 1.00 24.43 H new ATOM 0 HG SER A 93 3.217 -12.860 -13.832 1.00 3.01 H new ATOM 1438 N ARG A 94 1.657 -12.603 -9.205 1.00 74.44 N ATOM 1439 CA ARG A 94 0.399 -12.251 -8.540 1.00 30.44 C ATOM 1440 C ARG A 94 0.412 -10.746 -8.272 1.00 13.01 C ATOM 1441 O ARG A 94 1.346 -10.065 -8.713 1.00 71.15 O ATOM 1442 CB ARG A 94 0.218 -13.098 -7.262 1.00 21.41 C ATOM 1443 CG ARG A 94 1.450 -13.115 -6.338 1.00 45.15 C ATOM 1444 CD ARG A 94 2.126 -14.485 -6.227 1.00 61.53 C ATOM 1445 NE ARG A 94 1.330 -15.426 -5.426 1.00 51.22 N ATOM 1446 CZ ARG A 94 1.553 -15.798 -4.160 1.00 25.41 C ATOM 1447 NH1 ARG A 94 2.523 -15.259 -3.422 1.00 24.33 N ATOM 1448 NH2 ARG A 94 0.769 -16.735 -3.649 1.00 10.34 N ATOM 0 H ARG A 94 2.425 -11.979 -8.957 1.00 74.44 H new ATOM 0 HA ARG A 94 -0.461 -12.476 -9.171 1.00 30.44 H new ATOM 0 HB2 ARG A 94 -0.636 -12.715 -6.703 1.00 21.41 H new ATOM 0 HB3 ARG A 94 -0.022 -14.122 -7.549 1.00 21.41 H new ATOM 0 HG2 ARG A 94 2.177 -12.391 -6.706 1.00 45.15 H new ATOM 0 HG3 ARG A 94 1.150 -12.788 -5.343 1.00 45.15 H new ATOM 0 HD2 ARG A 94 2.279 -14.896 -7.225 1.00 61.53 H new ATOM 0 HD3 ARG A 94 3.112 -14.368 -5.776 1.00 61.53 H new ATOM 0 HE ARG A 94 0.519 -15.841 -5.885 1.00 51.22 H new ATOM 0 HH11 ARG A 94 3.125 -14.538 -3.819 1.00 24.33 H new ATOM 0 HH12 ARG A 94 2.663 -15.568 -2.460 1.00 24.33 H new ATOM 0 HH21 ARG A 94 0.028 -17.145 -4.217 1.00 10.34 H new ATOM 0 HH22 ARG A 94 0.906 -17.046 -2.687 1.00 10.34 H new ATOM 1462 N SER A 95 -0.609 -10.182 -7.626 1.00 64.41 N ATOM 1463 CA SER A 95 -0.618 -8.747 -7.367 1.00 11.10 C ATOM 1464 C SER A 95 -1.470 -8.394 -6.152 1.00 61.21 C ATOM 1465 O SER A 95 -2.439 -9.081 -5.835 1.00 45.13 O ATOM 1466 CB SER A 95 -1.047 -7.944 -8.620 1.00 11.22 C ATOM 1467 OG SER A 95 -1.547 -8.755 -9.677 1.00 33.21 O ATOM 0 H SER A 95 -1.424 -10.687 -7.279 1.00 64.41 H new ATOM 0 HA SER A 95 0.406 -8.458 -7.132 1.00 11.10 H new ATOM 0 HB2 SER A 95 -1.813 -7.223 -8.334 1.00 11.22 H new ATOM 0 HB3 SER A 95 -0.193 -7.374 -8.985 1.00 11.22 H new ATOM 0 HG SER A 95 -1.800 -8.186 -10.434 1.00 33.21 H new ATOM 1473 N PHE A 96 -1.136 -7.279 -5.508 1.00 4.11 N ATOM 1474 CA PHE A 96 -1.666 -6.821 -4.237 1.00 21.13 C ATOM 1475 C PHE A 96 -2.175 -5.395 -4.354 1.00 32.13 C ATOM 1476 O PHE A 96 -1.965 -4.718 -5.370 1.00 14.13 O ATOM 1477 CB PHE A 96 -0.593 -6.892 -3.140 1.00 11.04 C ATOM 1478 CG PHE A 96 -1.033 -7.710 -1.956 1.00 62.32 C ATOM 1479 CD1 PHE A 96 -0.816 -9.093 -1.981 1.00 73.52 C ATOM 1480 CD2 PHE A 96 -1.653 -7.103 -0.850 1.00 45.04 C ATOM 1481 CE1 PHE A 96 -1.213 -9.885 -0.889 1.00 2.23 C ATOM 1482 CE2 PHE A 96 -2.060 -7.900 0.236 1.00 3.43 C ATOM 1483 CZ PHE A 96 -1.849 -9.291 0.215 1.00 51.42 C ATOM 0 H PHE A 96 -0.444 -6.634 -5.888 1.00 4.11 H new ATOM 0 HA PHE A 96 -2.494 -7.477 -3.966 1.00 21.13 H new ATOM 0 HB2 PHE A 96 0.319 -7.321 -3.555 1.00 11.04 H new ATOM 0 HB3 PHE A 96 -0.348 -5.883 -2.809 1.00 11.04 H new ATOM 0 HD1 PHE A 96 -0.344 -9.551 -2.838 1.00 73.52 H new ATOM 0 HD2 PHE A 96 -1.815 -6.035 -0.834 1.00 45.04 H new ATOM 0 HE1 PHE A 96 -1.029 -10.949 -0.898 1.00 2.23 H new ATOM 0 HE2 PHE A 96 -2.537 -7.442 1.090 1.00 3.43 H new ATOM 0 HZ PHE A 96 -2.175 -9.901 1.045 1.00 51.42 H new ATOM 1493 N THR A 97 -2.901 -4.934 -3.337 1.00 30.11 N ATOM 1494 CA THR A 97 -3.550 -3.620 -3.326 1.00 22.22 C ATOM 1495 C THR A 97 -3.626 -3.216 -1.839 1.00 13.23 C ATOM 1496 O THR A 97 -4.171 -3.955 -1.010 1.00 70.21 O ATOM 1497 CB THR A 97 -4.906 -3.731 -4.086 1.00 52.43 C ATOM 1498 OG1 THR A 97 -4.719 -4.575 -5.211 1.00 3.32 O ATOM 1499 CG2 THR A 97 -5.481 -2.507 -4.805 1.00 71.15 C ATOM 0 H THR A 97 -3.059 -5.470 -2.483 1.00 30.11 H new ATOM 0 HA THR A 97 -3.016 -2.828 -3.851 1.00 22.22 H new ATOM 0 HB THR A 97 -5.567 -4.022 -3.269 1.00 52.43 H new ATOM 0 HG1 THR A 97 -4.466 -4.034 -5.988 1.00 3.32 H new ATOM 0 HG21 THR A 97 -6.427 -2.773 -5.276 1.00 71.15 H new ATOM 0 HG22 THR A 97 -5.647 -1.706 -4.084 1.00 71.15 H new ATOM 0 HG23 THR A 97 -4.778 -2.169 -5.567 1.00 71.15 H new ATOM 1507 N VAL A 98 -2.960 -2.115 -1.478 1.00 51.12 N ATOM 1508 CA VAL A 98 -2.916 -1.510 -0.145 1.00 25.52 C ATOM 1509 C VAL A 98 -3.565 -0.145 -0.294 1.00 10.12 C ATOM 1510 O VAL A 98 -2.929 0.772 -0.826 1.00 32.30 O ATOM 1511 CB VAL A 98 -1.454 -1.403 0.351 1.00 73.35 C ATOM 1512 CG1 VAL A 98 -1.319 -0.611 1.660 1.00 54.01 C ATOM 1513 CG2 VAL A 98 -0.848 -2.788 0.575 1.00 31.10 C ATOM 0 H VAL A 98 -2.402 -1.590 -2.152 1.00 51.12 H new ATOM 0 HA VAL A 98 -3.442 -2.109 0.598 1.00 25.52 H new ATOM 0 HB VAL A 98 -0.920 -0.870 -0.436 1.00 73.35 H new ATOM 0 HG11 VAL A 98 -0.270 -0.572 1.955 1.00 54.01 H new ATOM 0 HG12 VAL A 98 -1.693 0.402 1.512 1.00 54.01 H new ATOM 0 HG13 VAL A 98 -1.898 -1.101 2.443 1.00 54.01 H new ATOM 0 HG21 VAL A 98 0.180 -2.684 0.923 1.00 31.10 H new ATOM 0 HG22 VAL A 98 -1.432 -3.324 1.323 1.00 31.10 H new ATOM 0 HG23 VAL A 98 -0.859 -3.346 -0.361 1.00 31.10 H new ATOM 1523 N CYS A 99 -4.865 -0.011 -0.028 1.00 63.43 N ATOM 1524 CA CYS A 99 -5.532 1.283 -0.098 1.00 31.31 C ATOM 1525 C CYS A 99 -5.810 1.768 1.303 1.00 72.45 C ATOM 1526 O CYS A 99 -5.902 0.967 2.236 1.00 61.32 O ATOM 1527 CB CYS A 99 -6.823 1.258 -0.924 1.00 22.40 C ATOM 1528 SG CYS A 99 -8.120 0.239 -0.159 1.00 12.11 S ATOM 0 H CYS A 99 -5.474 -0.785 0.238 1.00 63.43 H new ATOM 0 HA CYS A 99 -4.861 1.970 -0.614 1.00 31.31 H new ATOM 0 HB2 CYS A 99 -7.191 2.276 -1.047 1.00 22.40 H new ATOM 0 HB3 CYS A 99 -6.605 0.875 -1.921 1.00 22.40 H new ATOM 0 HG CYS A 99 -7.609 -0.890 0.235 1.00 12.11 H new ATOM 1534 N VAL A 100 -6.019 3.071 1.400 1.00 5.01 N ATOM 1535 CA VAL A 100 -6.510 3.707 2.612 1.00 13.23 C ATOM 1536 C VAL A 100 -7.506 4.805 2.255 1.00 65.14 C ATOM 1537 O VAL A 100 -7.561 5.245 1.108 1.00 62.42 O ATOM 1538 CB VAL A 100 -5.349 4.244 3.480 1.00 33.44 C ATOM 1539 CG1 VAL A 100 -4.476 3.106 4.032 1.00 44.32 C ATOM 1540 CG2 VAL A 100 -4.486 5.264 2.722 1.00 3.13 C ATOM 0 H VAL A 100 -5.851 3.723 0.633 1.00 5.01 H new ATOM 0 HA VAL A 100 -7.027 2.959 3.213 1.00 13.23 H new ATOM 0 HB VAL A 100 -5.809 4.758 4.324 1.00 33.44 H new ATOM 0 HG11 VAL A 100 -3.672 3.525 4.636 1.00 44.32 H new ATOM 0 HG12 VAL A 100 -5.086 2.445 4.648 1.00 44.32 H new ATOM 0 HG13 VAL A 100 -4.050 2.540 3.204 1.00 44.32 H new ATOM 0 HG21 VAL A 100 -3.683 5.614 3.370 1.00 3.13 H new ATOM 0 HG22 VAL A 100 -4.058 4.793 1.837 1.00 3.13 H new ATOM 0 HG23 VAL A 100 -5.103 6.110 2.420 1.00 3.13 H new ATOM 1550 N GLU A 101 -8.246 5.278 3.248 1.00 5.20 N ATOM 1551 CA GLU A 101 -9.009 6.518 3.234 1.00 5.42 C ATOM 1552 C GLU A 101 -8.646 7.257 4.522 1.00 2.43 C ATOM 1553 O GLU A 101 -8.200 6.622 5.483 1.00 25.40 O ATOM 1554 CB GLU A 101 -10.502 6.190 3.173 1.00 63.35 C ATOM 1555 CG GLU A 101 -11.455 7.377 2.960 1.00 54.11 C ATOM 1556 CD GLU A 101 -12.635 7.338 3.939 1.00 74.11 C ATOM 1557 OE1 GLU A 101 -13.290 6.273 4.036 1.00 63.23 O ATOM 1558 OE2 GLU A 101 -12.844 8.354 4.646 1.00 53.42 O ATOM 0 H GLU A 101 -8.335 4.779 4.133 1.00 5.20 H new ATOM 0 HA GLU A 101 -8.780 7.139 2.368 1.00 5.42 H new ATOM 0 HB2 GLU A 101 -10.662 5.475 2.366 1.00 63.35 H new ATOM 0 HB3 GLU A 101 -10.780 5.691 4.101 1.00 63.35 H new ATOM 0 HG2 GLU A 101 -10.907 8.311 3.087 1.00 54.11 H new ATOM 0 HG3 GLU A 101 -11.830 7.364 1.937 1.00 54.11 H new ATOM 1565 N ALA A 102 -8.826 8.577 4.533 1.00 53.24 N ATOM 1566 CA ALA A 102 -8.412 9.500 5.577 1.00 22.32 C ATOM 1567 C ALA A 102 -9.507 10.519 5.938 1.00 43.45 C ATOM 1568 O ALA A 102 -9.235 11.458 6.694 1.00 30.42 O ATOM 1569 CB ALA A 102 -7.128 10.206 5.114 1.00 70.45 C ATOM 0 H ALA A 102 -9.294 9.055 3.763 1.00 53.24 H new ATOM 0 HA ALA A 102 -8.225 8.934 6.490 1.00 22.32 H new ATOM 0 HB1 ALA A 102 -6.799 10.904 5.884 1.00 70.45 H new ATOM 0 HB2 ALA A 102 -6.348 9.465 4.939 1.00 70.45 H new ATOM 0 HB3 ALA A 102 -7.325 10.750 4.190 1.00 70.45 H new ATOM 1575 N GLY A 103 -10.733 10.383 5.416 1.00 25.54 N ATOM 1576 CA GLY A 103 -11.829 11.319 5.633 1.00 44.24 C ATOM 1577 C GLY A 103 -12.262 11.939 4.319 1.00 33.41 C ATOM 1578 O GLY A 103 -13.290 11.554 3.762 1.00 14.13 O ATOM 0 H GLY A 103 -10.990 9.598 4.818 1.00 25.54 H new ATOM 0 HA2 GLY A 103 -12.671 10.802 6.094 1.00 44.24 H new ATOM 0 HA3 GLY A 103 -11.517 12.100 6.326 1.00 44.24 H new ATOM 1582 N ASN A 104 -11.484 12.895 3.819 1.00 2.12 N ATOM 1583 CA ASN A 104 -11.695 13.601 2.571 1.00 63.32 C ATOM 1584 C ASN A 104 -10.436 13.444 1.715 1.00 34.31 C ATOM 1585 O ASN A 104 -9.940 14.413 1.144 1.00 73.31 O ATOM 1586 CB ASN A 104 -12.013 15.066 2.883 1.00 71.13 C ATOM 1587 CG ASN A 104 -13.427 15.268 3.407 1.00 41.23 C ATOM 1588 OD1 ASN A 104 -13.744 14.880 4.530 1.00 23.24 O ATOM 1589 ND2 ASN A 104 -14.311 15.843 2.610 1.00 53.22 N ATOM 0 H ASN A 104 -10.645 13.211 4.305 1.00 2.12 H new ATOM 0 HA ASN A 104 -12.537 13.195 2.011 1.00 63.32 H new ATOM 0 HB2 ASN A 104 -11.301 15.438 3.620 1.00 71.13 H new ATOM 0 HB3 ASN A 104 -11.877 15.662 1.980 1.00 71.13 H new ATOM 0 HD21 ASN A 104 -15.273 15.971 2.924 1.00 53.22 H new ATOM 0 HD22 ASN A 104 -14.031 16.159 1.681 1.00 53.22 H new ATOM 1596 N ALA A 105 -9.885 12.229 1.680 1.00 52.32 N ATOM 1597 CA ALA A 105 -8.859 11.774 0.762 1.00 10.31 C ATOM 1598 C ALA A 105 -8.695 10.274 0.935 1.00 12.22 C ATOM 1599 O ALA A 105 -8.988 9.721 1.995 1.00 22.51 O ATOM 1600 CB ALA A 105 -7.513 12.430 1.077 1.00 44.31 C ATOM 0 H ALA A 105 -10.166 11.499 2.334 1.00 52.32 H new ATOM 0 HA ALA A 105 -9.157 12.035 -0.253 1.00 10.31 H new ATOM 0 HB1 ALA A 105 -6.760 12.072 0.374 1.00 44.31 H new ATOM 0 HB2 ALA A 105 -7.606 13.512 0.989 1.00 44.31 H new ATOM 0 HB3 ALA A 105 -7.212 12.173 2.093 1.00 44.31 H new ATOM 1606 N PHE A 106 -8.120 9.639 -0.075 1.00 34.52 N ATOM 1607 CA PHE A 106 -7.738 8.244 -0.052 1.00 64.11 C ATOM 1608 C PHE A 106 -6.472 8.085 -0.874 1.00 44.13 C ATOM 1609 O PHE A 106 -6.102 8.979 -1.650 1.00 31.13 O ATOM 1610 CB PHE A 106 -8.892 7.359 -0.561 1.00 41.15 C ATOM 1611 CG PHE A 106 -9.725 7.923 -1.691 1.00 62.24 C ATOM 1612 CD1 PHE A 106 -10.862 8.698 -1.401 1.00 34.20 C ATOM 1613 CD2 PHE A 106 -9.376 7.662 -3.025 1.00 62.21 C ATOM 1614 CE1 PHE A 106 -11.647 9.224 -2.440 1.00 51.41 C ATOM 1615 CE2 PHE A 106 -10.156 8.191 -4.064 1.00 25.11 C ATOM 1616 CZ PHE A 106 -11.285 8.976 -3.774 1.00 32.52 C ATOM 0 H PHE A 106 -7.902 10.099 -0.959 1.00 34.52 H new ATOM 0 HA PHE A 106 -7.533 7.917 0.967 1.00 64.11 H new ATOM 0 HB2 PHE A 106 -8.474 6.407 -0.887 1.00 41.15 H new ATOM 0 HB3 PHE A 106 -9.554 7.146 0.278 1.00 41.15 H new ATOM 0 HD1 PHE A 106 -11.133 8.890 -0.373 1.00 34.20 H new ATOM 0 HD2 PHE A 106 -8.511 7.056 -3.251 1.00 62.21 H new ATOM 0 HE1 PHE A 106 -12.523 9.815 -2.215 1.00 51.41 H new ATOM 0 HE2 PHE A 106 -9.888 7.994 -5.091 1.00 25.11 H new ATOM 0 HZ PHE A 106 -11.875 9.389 -4.578 1.00 32.52 H new ATOM 1626 N ASP A 107 -5.821 6.938 -0.719 1.00 71.22 N ATOM 1627 CA ASP A 107 -4.678 6.538 -1.521 1.00 14.43 C ATOM 1628 C ASP A 107 -4.806 5.055 -1.836 1.00 22.41 C ATOM 1629 O ASP A 107 -5.576 4.328 -1.205 1.00 2.14 O ATOM 1630 CB ASP A 107 -3.350 6.865 -0.819 1.00 34.11 C ATOM 1631 CG ASP A 107 -2.303 7.274 -1.856 1.00 30.13 C ATOM 1632 OD1 ASP A 107 -2.091 6.554 -2.858 1.00 4.12 O ATOM 1633 OD2 ASP A 107 -1.770 8.396 -1.757 1.00 44.32 O ATOM 0 H ASP A 107 -6.082 6.247 -0.016 1.00 71.22 H new ATOM 0 HA ASP A 107 -4.670 7.104 -2.453 1.00 14.43 H new ATOM 0 HB2 ASP A 107 -3.497 7.671 -0.100 1.00 34.11 H new ATOM 0 HB3 ASP A 107 -3.001 5.998 -0.259 1.00 34.11 H new ATOM 1638 N GLU A 108 -4.062 4.595 -2.828 1.00 45.45 N ATOM 1639 CA GLU A 108 -4.156 3.274 -3.400 1.00 65.52 C ATOM 1640 C GLU A 108 -2.799 2.963 -4.041 1.00 24.10 C ATOM 1641 O GLU A 108 -2.367 3.634 -4.978 1.00 5.03 O ATOM 1642 CB GLU A 108 -5.372 3.239 -4.342 1.00 42.22 C ATOM 1643 CG GLU A 108 -5.433 1.991 -5.186 1.00 41.35 C ATOM 1644 CD GLU A 108 -6.620 1.946 -6.127 1.00 24.24 C ATOM 1645 OE1 GLU A 108 -6.542 2.550 -7.223 1.00 54.13 O ATOM 1646 OE2 GLU A 108 -7.605 1.238 -5.824 1.00 25.24 O ATOM 0 H GLU A 108 -3.343 5.165 -3.274 1.00 45.45 H new ATOM 0 HA GLU A 108 -4.340 2.483 -2.673 1.00 65.52 H new ATOM 0 HB2 GLU A 108 -6.284 3.315 -3.750 1.00 42.22 H new ATOM 0 HB3 GLU A 108 -5.343 4.111 -4.996 1.00 42.22 H new ATOM 0 HG2 GLU A 108 -4.516 1.913 -5.769 1.00 41.35 H new ATOM 0 HG3 GLU A 108 -5.468 1.121 -4.530 1.00 41.35 H new ATOM 1653 N PHE A 109 -2.107 1.968 -3.482 1.00 43.01 N ATOM 1654 CA PHE A 109 -0.780 1.527 -3.896 1.00 64.43 C ATOM 1655 C PHE A 109 -0.922 0.109 -4.449 1.00 14.02 C ATOM 1656 O PHE A 109 -1.223 -0.819 -3.694 1.00 32.54 O ATOM 1657 CB PHE A 109 0.186 1.582 -2.700 1.00 62.41 C ATOM 1658 CG PHE A 109 0.392 2.953 -2.078 1.00 14.05 C ATOM 1659 CD1 PHE A 109 0.848 4.029 -2.862 1.00 32.14 C ATOM 1660 CD2 PHE A 109 0.120 3.163 -0.711 1.00 22.44 C ATOM 1661 CE1 PHE A 109 1.016 5.300 -2.287 1.00 2.45 C ATOM 1662 CE2 PHE A 109 0.281 4.438 -0.141 1.00 33.24 C ATOM 1663 CZ PHE A 109 0.730 5.509 -0.928 1.00 70.32 C ATOM 0 H PHE A 109 -2.473 1.428 -2.698 1.00 43.01 H new ATOM 0 HA PHE A 109 -0.367 2.177 -4.667 1.00 64.43 H new ATOM 0 HB2 PHE A 109 -0.182 0.906 -1.929 1.00 62.41 H new ATOM 0 HB3 PHE A 109 1.155 1.201 -3.022 1.00 62.41 H new ATOM 0 HD1 PHE A 109 1.069 3.877 -3.908 1.00 32.14 H new ATOM 0 HD2 PHE A 109 -0.214 2.339 -0.098 1.00 22.44 H new ATOM 0 HE1 PHE A 109 1.367 6.121 -2.894 1.00 2.45 H new ATOM 0 HE2 PHE A 109 0.059 4.593 0.904 1.00 33.24 H new ATOM 0 HZ PHE A 109 0.855 6.489 -0.491 1.00 70.32 H new ATOM 1673 N LYS A 110 -0.863 -0.055 -5.776 1.00 44.12 N ATOM 1674 CA LYS A 110 -0.874 -1.366 -6.438 1.00 31.24 C ATOM 1675 C LYS A 110 0.529 -1.957 -6.264 1.00 34.30 C ATOM 1676 O LYS A 110 1.510 -1.213 -6.315 1.00 73.31 O ATOM 1677 CB LYS A 110 -1.219 -1.234 -7.947 1.00 14.03 C ATOM 1678 CG LYS A 110 -2.692 -1.532 -8.305 1.00 45.21 C ATOM 1679 CD LYS A 110 -3.576 -0.302 -8.601 1.00 10.00 C ATOM 1680 CE LYS A 110 -5.040 -0.706 -8.356 1.00 33.54 C ATOM 1681 NZ LYS A 110 -6.035 0.295 -8.795 1.00 25.40 N ATOM 0 H LYS A 110 -0.806 0.727 -6.428 1.00 44.12 H new ATOM 0 HA LYS A 110 -1.635 -2.009 -5.996 1.00 31.24 H new ATOM 0 HB2 LYS A 110 -0.979 -0.222 -8.273 1.00 14.03 H new ATOM 0 HB3 LYS A 110 -0.579 -1.911 -8.512 1.00 14.03 H new ATOM 0 HG2 LYS A 110 -2.709 -2.186 -9.177 1.00 45.21 H new ATOM 0 HG3 LYS A 110 -3.140 -2.088 -7.482 1.00 45.21 H new ATOM 0 HD2 LYS A 110 -3.297 0.533 -7.958 1.00 10.00 H new ATOM 0 HD3 LYS A 110 -3.438 0.029 -9.630 1.00 10.00 H new ATOM 0 HE2 LYS A 110 -5.236 -1.645 -8.874 1.00 33.54 H new ATOM 0 HE3 LYS A 110 -5.178 -0.894 -7.291 1.00 33.54 H new ATOM 0 HZ1 LYS A 110 -6.986 -0.009 -8.503 1.00 25.40 H new ATOM 0 HZ2 LYS A 110 -5.817 1.215 -8.361 1.00 25.40 H new ATOM 0 HZ3 LYS A 110 -6.004 0.385 -9.831 1.00 25.40 H new ATOM 1695 N PHE A 111 0.626 -3.275 -6.092 1.00 1.32 N ATOM 1696 CA PHE A 111 1.893 -3.992 -6.006 1.00 44.33 C ATOM 1697 C PHE A 111 1.835 -5.214 -6.895 1.00 61.21 C ATOM 1698 O PHE A 111 0.845 -5.941 -6.857 1.00 53.35 O ATOM 1699 CB PHE A 111 2.134 -4.469 -4.567 1.00 10.10 C ATOM 1700 CG PHE A 111 2.481 -3.376 -3.587 1.00 62.40 C ATOM 1701 CD1 PHE A 111 1.473 -2.575 -3.029 1.00 12.44 C ATOM 1702 CD2 PHE A 111 3.817 -3.189 -3.194 1.00 54.04 C ATOM 1703 CE1 PHE A 111 1.804 -1.584 -2.092 1.00 21.44 C ATOM 1704 CE2 PHE A 111 4.146 -2.214 -2.243 1.00 2.03 C ATOM 1705 CZ PHE A 111 3.141 -1.394 -1.707 1.00 62.12 C ATOM 0 H PHE A 111 -0.189 -3.883 -6.007 1.00 1.32 H new ATOM 0 HA PHE A 111 2.695 -3.322 -6.317 1.00 44.33 H new ATOM 0 HB2 PHE A 111 1.239 -4.982 -4.215 1.00 10.10 H new ATOM 0 HB3 PHE A 111 2.941 -5.202 -4.573 1.00 10.10 H new ATOM 0 HD1 PHE A 111 0.443 -2.721 -3.320 1.00 12.44 H new ATOM 0 HD2 PHE A 111 4.595 -3.800 -3.627 1.00 54.04 H new ATOM 0 HE1 PHE A 111 1.028 -0.966 -1.666 1.00 21.44 H new ATOM 0 HE2 PHE A 111 5.171 -2.094 -1.923 1.00 2.03 H new ATOM 0 HZ PHE A 111 3.395 -0.618 -1.000 1.00 62.12 H new ATOM 1715 N VAL A 112 2.933 -5.546 -7.562 1.00 24.10 N ATOM 1716 CA VAL A 112 3.038 -6.726 -8.408 1.00 21.44 C ATOM 1717 C VAL A 112 4.186 -7.564 -7.888 1.00 42.11 C ATOM 1718 O VAL A 112 5.314 -7.081 -7.799 1.00 14.22 O ATOM 1719 CB VAL A 112 3.126 -6.325 -9.898 1.00 45.32 C ATOM 1720 CG1 VAL A 112 4.162 -5.225 -10.180 1.00 50.10 C ATOM 1721 CG2 VAL A 112 3.419 -7.527 -10.809 1.00 70.51 C ATOM 0 H VAL A 112 3.789 -4.993 -7.529 1.00 24.10 H new ATOM 0 HA VAL A 112 2.144 -7.347 -8.361 1.00 21.44 H new ATOM 0 HB VAL A 112 2.138 -5.926 -10.128 1.00 45.32 H new ATOM 0 HG11 VAL A 112 4.168 -4.995 -11.246 1.00 50.10 H new ATOM 0 HG12 VAL A 112 3.903 -4.328 -9.617 1.00 50.10 H new ATOM 0 HG13 VAL A 112 5.151 -5.570 -9.878 1.00 50.10 H new ATOM 0 HG21 VAL A 112 3.471 -7.194 -11.846 1.00 70.51 H new ATOM 0 HG22 VAL A 112 4.370 -7.976 -10.524 1.00 70.51 H new ATOM 0 HG23 VAL A 112 2.624 -8.265 -10.705 1.00 70.51 H new ATOM 1731 N GLN A 113 3.877 -8.796 -7.485 1.00 73.25 N ATOM 1732 CA GLN A 113 4.866 -9.788 -7.140 1.00 14.12 C ATOM 1733 C GLN A 113 5.154 -10.645 -8.362 1.00 74.54 C ATOM 1734 O GLN A 113 4.258 -11.258 -8.950 1.00 44.15 O ATOM 1735 CB GLN A 113 4.411 -10.584 -5.912 1.00 25.52 C ATOM 1736 CG GLN A 113 5.214 -11.882 -5.721 1.00 34.30 C ATOM 1737 CD GLN A 113 5.269 -12.351 -4.274 1.00 71.55 C ATOM 1738 OE1 GLN A 113 4.539 -13.266 -3.895 1.00 45.33 O ATOM 1739 NE2 GLN A 113 6.182 -11.784 -3.494 1.00 70.10 N ATOM 0 H GLN A 113 2.917 -9.127 -7.391 1.00 73.25 H new ATOM 0 HA GLN A 113 5.807 -9.319 -6.853 1.00 14.12 H new ATOM 0 HB2 GLN A 113 4.513 -9.963 -5.022 1.00 25.52 H new ATOM 0 HB3 GLN A 113 3.353 -10.826 -6.012 1.00 25.52 H new ATOM 0 HG2 GLN A 113 4.772 -12.668 -6.333 1.00 34.30 H new ATOM 0 HG3 GLN A 113 6.230 -11.729 -6.084 1.00 34.30 H new ATOM 0 HE21 GLN A 113 6.763 -11.028 -3.856 1.00 70.10 H new ATOM 0 HE22 GLN A 113 6.302 -12.105 -2.533 1.00 70.10 H new ATOM 1748 N ASP A 114 6.424 -10.669 -8.747 1.00 64.12 N ATOM 1749 CA ASP A 114 6.909 -11.540 -9.813 1.00 62.31 C ATOM 1750 C ASP A 114 6.812 -13.019 -9.436 1.00 31.34 C ATOM 1751 O ASP A 114 6.651 -13.392 -8.268 1.00 50.22 O ATOM 1752 CB ASP A 114 8.359 -11.191 -10.196 1.00 1.21 C ATOM 1753 CG ASP A 114 8.454 -10.995 -11.705 1.00 74.22 C ATOM 1754 OD1 ASP A 114 8.457 -12.012 -12.432 1.00 52.23 O ATOM 1755 OD2 ASP A 114 8.422 -9.838 -12.184 1.00 41.24 O ATOM 0 H ASP A 114 7.148 -10.085 -8.329 1.00 64.12 H new ATOM 0 HA ASP A 114 6.263 -11.370 -10.674 1.00 62.31 H new ATOM 0 HB2 ASP A 114 8.674 -10.284 -9.680 1.00 1.21 H new ATOM 0 HB3 ASP A 114 9.032 -11.988 -9.879 1.00 1.21 H new ATOM 1760 N ALA A 115 6.942 -13.867 -10.452 1.00 64.22 N ATOM 1761 CA ALA A 115 7.016 -15.310 -10.308 1.00 61.35 C ATOM 1762 C ALA A 115 8.404 -15.715 -9.868 1.00 32.15 C ATOM 1763 O ALA A 115 9.384 -15.113 -10.315 1.00 4.22 O ATOM 1764 CB ALA A 115 6.786 -15.930 -11.680 1.00 25.21 C ATOM 0 H ALA A 115 7.000 -13.557 -11.422 1.00 64.22 H new ATOM 0 HA ALA A 115 6.277 -15.639 -9.577 1.00 61.35 H new ATOM 0 HB1 ALA A 115 6.836 -17.016 -11.602 1.00 25.21 H new ATOM 0 HB2 ALA A 115 5.804 -15.638 -12.051 1.00 25.21 H new ATOM 0 HB3 ALA A 115 7.553 -15.580 -12.371 1.00 25.21 H new ATOM 1770 N ALA A 116 8.494 -16.803 -9.108 1.00 24.11 N ATOM 1771 CA ALA A 116 9.771 -17.457 -8.902 1.00 51.13 C ATOM 1772 C ALA A 116 10.232 -18.113 -10.195 1.00 53.30 C ATOM 1773 O ALA A 116 9.424 -18.583 -11.005 1.00 64.34 O ATOM 1774 CB ALA A 116 9.629 -18.512 -7.809 1.00 2.32 C ATOM 0 H ALA A 116 7.705 -17.242 -8.632 1.00 24.11 H new ATOM 0 HA ALA A 116 10.511 -16.717 -8.598 1.00 51.13 H new ATOM 0 HB1 ALA A 116 10.588 -19.005 -7.652 1.00 2.32 H new ATOM 0 HB2 ALA A 116 9.311 -18.035 -6.882 1.00 2.32 H new ATOM 0 HB3 ALA A 116 8.886 -19.251 -8.111 1.00 2.32 H new ATOM 1780 N LYS A 117 11.549 -18.200 -10.352 1.00 2.41 N ATOM 1781 CA LYS A 117 12.186 -18.937 -11.431 1.00 52.21 C ATOM 1782 C LYS A 117 13.329 -19.756 -10.858 1.00 70.52 C ATOM 1783 O LYS A 117 14.444 -19.245 -10.727 1.00 23.15 O ATOM 1784 CB LYS A 117 12.623 -17.978 -12.541 1.00 43.04 C ATOM 1785 CG LYS A 117 13.082 -18.782 -13.762 1.00 74.13 C ATOM 1786 CD LYS A 117 13.396 -17.855 -14.932 1.00 14.42 C ATOM 1787 CE LYS A 117 14.028 -18.640 -16.080 1.00 24.54 C ATOM 1788 NZ LYS A 117 14.357 -17.754 -17.213 1.00 11.44 N ATOM 0 H LYS A 117 12.213 -17.752 -9.720 1.00 2.41 H new ATOM 0 HA LYS A 117 11.484 -19.632 -11.892 1.00 52.21 H new ATOM 0 HB2 LYS A 117 11.797 -17.321 -12.815 1.00 43.04 H new ATOM 0 HB3 LYS A 117 13.433 -17.341 -12.187 1.00 43.04 H new ATOM 0 HG2 LYS A 117 13.966 -19.366 -13.507 1.00 74.13 H new ATOM 0 HG3 LYS A 117 12.305 -19.489 -14.051 1.00 74.13 H new ATOM 0 HD2 LYS A 117 12.482 -17.370 -15.275 1.00 14.42 H new ATOM 0 HD3 LYS A 117 14.074 -17.065 -14.607 1.00 14.42 H new ATOM 0 HE2 LYS A 117 14.932 -19.138 -15.730 1.00 24.54 H new ATOM 0 HE3 LYS A 117 13.343 -19.420 -16.412 1.00 24.54 H new ATOM 0 HZ1 LYS A 117 14.785 -18.313 -17.978 1.00 11.44 H new ATOM 0 HZ2 LYS A 117 13.489 -17.298 -17.561 1.00 11.44 H new ATOM 0 HZ3 LYS A 117 15.029 -17.025 -16.900 1.00 11.44 H new ATOM 1802 N GLN A 118 13.041 -20.990 -10.458 1.00 61.31 N ATOM 1803 CA GLN A 118 13.976 -21.931 -9.856 1.00 43.30 C ATOM 1804 C GLN A 118 13.642 -23.318 -10.374 1.00 72.34 C ATOM 1805 O GLN A 118 12.528 -23.508 -10.922 1.00 44.11 O ATOM 1806 CB GLN A 118 13.886 -21.864 -8.319 1.00 62.34 C ATOM 1807 CG GLN A 118 14.534 -20.589 -7.756 1.00 64.24 C ATOM 1808 CD GLN A 118 14.465 -20.479 -6.236 1.00 1.23 C ATOM 1809 OE1 GLN A 118 14.082 -19.436 -5.712 1.00 32.52 O ATOM 1810 NE2 GLN A 118 14.878 -21.497 -5.493 1.00 34.32 N ATOM 0 H GLN A 118 12.103 -21.379 -10.550 1.00 61.31 H new ATOM 0 HA GLN A 118 15.002 -21.681 -10.127 1.00 43.30 H new ATOM 0 HB2 GLN A 118 12.840 -21.902 -8.016 1.00 62.34 H new ATOM 0 HB3 GLN A 118 14.375 -22.738 -7.889 1.00 62.34 H new ATOM 0 HG2 GLN A 118 15.579 -20.557 -8.066 1.00 64.24 H new ATOM 0 HG3 GLN A 118 14.045 -19.720 -8.196 1.00 64.24 H new ATOM 0 HE21 GLN A 118 15.194 -22.358 -5.939 1.00 34.32 H new ATOM 0 HE22 GLN A 118 14.880 -21.418 -4.476 1.00 34.32 H new TER 1819 GLN A 118