USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 95:sc= 0.226 USER MOD Set 1.2: A 72 TYR OH : rot 150:sc= 0.406 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 ASN : amide:sc= -1.99 K(o=-2,f=-5.3!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -2.07! USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 14 THR OG1 : rot 93:sc= 1.2 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 0 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -162:sc= -0.0564 (180deg=-0.34) USER MOD Single : A 12 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.3) USER MOD Single : A 16 HIS : no HE2:sc= -1.25 X(o=-1.2,f=-1.2) USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= -0.358 (180deg=-1.41!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 70:sc= 0.811 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.048 K(o=-0.048,f=0.81) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.751 K(o=-0.75,f=-6.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -7.69! C(o=-7.7!,f=-14!) USER MOD Single : A 86 SER OG : rot -116:sc= 0.208 USER MOD Single : A 89 SER OG : rot -71:sc= -1.48 USER MOD Single : A 92 SER OG : rot -106:sc= -3.58! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 59:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.355 -4.368 -5.515 1.00 2.05 N ATOM 2 CA SER A 0 -24.407 -3.502 -4.765 1.00 1.55 C ATOM 3 C SER A 0 -22.962 -3.803 -5.157 1.00 1.39 C ATOM 4 O SER A 0 -22.333 -4.701 -4.598 1.00 1.50 O ATOM 5 CB SER A 0 -24.607 -3.745 -3.268 1.00 2.08 C ATOM 6 OG SER A 0 -25.887 -3.313 -2.846 1.00 2.74 O ATOM 0 H1 SER A 0 -26.330 -4.144 -5.230 1.00 2.05 H new ATOM 0 H2 SER A 0 -25.245 -4.201 -6.536 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.154 -5.366 -5.304 1.00 2.05 H new ATOM 0 HA SER A 0 -24.605 -2.458 -5.007 1.00 1.55 H new ATOM 0 HB2 SER A 0 -24.488 -4.806 -3.050 1.00 2.08 H new ATOM 0 HB3 SER A 0 -23.838 -3.216 -2.705 1.00 2.08 H new ATOM 0 HG SER A 0 -25.989 -3.481 -1.886 1.00 2.74 H new ATOM 12 N PRO A 1 -22.417 -3.053 -6.130 1.00 1.23 N ATOM 13 CA PRO A 1 -21.050 -3.237 -6.600 1.00 1.19 C ATOM 14 C PRO A 1 -20.038 -2.433 -5.792 1.00 1.24 C ATOM 15 O PRO A 1 -20.137 -1.208 -5.696 1.00 2.06 O ATOM 16 CB PRO A 1 -21.124 -2.717 -8.031 1.00 1.18 C ATOM 17 CG PRO A 1 -22.157 -1.638 -7.993 1.00 1.26 C ATOM 18 CD PRO A 1 -23.096 -1.963 -6.853 1.00 1.24 C ATOM 0 HA PRO A 1 -20.715 -4.270 -6.511 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -20.160 -2.330 -8.361 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.405 -3.509 -8.725 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.691 -0.664 -7.843 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.699 -1.590 -8.937 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -23.257 -1.098 -6.210 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -24.074 -2.275 -7.219 1.00 1.24 H new ATOM 26 N ILE A 2 -19.062 -3.126 -5.216 1.00 0.68 N ATOM 27 CA ILE A 2 -18.029 -2.475 -4.424 1.00 0.61 C ATOM 28 C ILE A 2 -16.757 -2.301 -5.249 1.00 0.57 C ATOM 29 O ILE A 2 -16.433 -3.145 -6.085 1.00 0.63 O ATOM 30 CB ILE A 2 -17.707 -3.273 -3.141 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.819 -2.425 -2.195 1.00 0.60 C ATOM 32 CG2 ILE A 2 -17.081 -4.619 -3.501 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.392 -2.924 -1.965 1.00 0.56 C ATOM 0 H ILE A 2 -18.966 -4.139 -5.284 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.411 -1.497 -4.131 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.628 -3.490 -2.599 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -16.765 -1.412 -2.595 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -17.317 -2.360 -1.228 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.858 -5.172 -2.589 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.778 -5.192 -4.112 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -16.159 -4.454 -4.059 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.874 -2.246 -1.286 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.422 -3.922 -1.528 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.861 -2.960 -2.916 1.00 0.56 H new ATOM 45 N ASP A 3 -16.043 -1.205 -5.019 1.00 0.55 N ATOM 46 CA ASP A 3 -14.815 -0.934 -5.759 1.00 0.54 C ATOM 47 C ASP A 3 -13.665 -0.567 -4.822 1.00 0.47 C ATOM 48 O ASP A 3 -13.862 0.124 -3.822 1.00 0.49 O ATOM 49 CB ASP A 3 -15.045 0.193 -6.766 1.00 0.61 C ATOM 50 CG ASP A 3 -15.734 -0.290 -8.028 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.563 -1.220 -7.933 1.00 2.00 O ATOM 52 OD2 ASP A 3 -15.444 0.261 -9.110 1.00 1.64 O ATOM 0 H ASP A 3 -16.290 -0.494 -4.331 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.539 -1.845 -6.290 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.648 0.973 -6.302 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.088 0.643 -7.028 1.00 0.61 H new ATOM 57 N PRO A 4 -12.441 -1.026 -5.141 1.00 0.44 N ATOM 58 CA PRO A 4 -11.256 -0.746 -4.336 1.00 0.41 C ATOM 59 C PRO A 4 -10.638 0.610 -4.668 1.00 0.38 C ATOM 60 O PRO A 4 -10.911 1.184 -5.722 1.00 0.43 O ATOM 61 CB PRO A 4 -10.308 -1.875 -4.725 1.00 0.45 C ATOM 62 CG PRO A 4 -10.652 -2.181 -6.144 1.00 0.50 C ATOM 63 CD PRO A 4 -12.117 -1.853 -6.319 1.00 0.50 C ATOM 0 HA PRO A 4 -11.479 -0.700 -3.270 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.266 -1.570 -4.626 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.447 -2.747 -4.086 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -10.040 -1.591 -6.826 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.461 -3.230 -6.370 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.297 -1.312 -7.248 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.727 -2.756 -6.353 1.00 0.50 H new ATOM 71 N PRO A 5 -9.796 1.142 -3.767 1.00 0.37 N ATOM 72 CA PRO A 5 -9.141 2.440 -3.967 1.00 0.39 C ATOM 73 C PRO A 5 -8.434 2.539 -5.315 1.00 0.38 C ATOM 74 O PRO A 5 -8.419 1.585 -6.093 1.00 0.47 O ATOM 75 CB PRO A 5 -8.139 2.507 -2.813 1.00 0.46 C ATOM 76 CG PRO A 5 -8.744 1.653 -1.753 1.00 0.71 C ATOM 77 CD PRO A 5 -9.417 0.526 -2.482 1.00 0.43 C ATOM 0 HA PRO A 5 -9.855 3.264 -3.974 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.160 2.134 -3.114 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.998 3.531 -2.467 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.983 1.279 -1.069 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.460 2.217 -1.156 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.746 -0.321 -2.623 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.287 0.157 -1.939 1.00 0.43 H new ATOM 85 N GLY A 6 -7.859 3.706 -5.585 1.00 0.37 N ATOM 86 CA GLY A 6 -7.164 3.926 -6.843 1.00 0.39 C ATOM 87 C GLY A 6 -5.753 3.368 -6.855 1.00 0.42 C ATOM 88 O GLY A 6 -5.313 2.743 -5.890 1.00 0.66 O ATOM 0 H GLY A 6 -7.861 4.507 -4.954 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.735 3.468 -7.651 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -7.126 4.996 -7.047 1.00 0.39 H new ATOM 92 N LYS A 7 -5.044 3.601 -7.959 1.00 0.41 N ATOM 93 CA LYS A 7 -3.671 3.127 -8.117 1.00 0.44 C ATOM 94 C LYS A 7 -2.736 3.836 -7.137 1.00 0.37 C ATOM 95 O LYS A 7 -2.715 5.065 -7.079 1.00 0.42 O ATOM 96 CB LYS A 7 -3.198 3.370 -9.551 1.00 0.54 C ATOM 97 CG LYS A 7 -1.923 2.622 -9.908 1.00 0.64 C ATOM 98 CD LYS A 7 -0.709 3.535 -9.863 1.00 1.01 C ATOM 99 CE LYS A 7 0.544 2.821 -10.344 1.00 0.95 C ATOM 100 NZ LYS A 7 0.589 1.406 -9.885 1.00 1.52 N ATOM 0 H LYS A 7 -5.402 4.119 -8.762 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.650 2.058 -7.904 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.988 3.073 -10.240 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -3.035 4.438 -9.694 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -1.781 1.792 -9.216 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -2.019 2.192 -10.905 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.890 4.413 -10.483 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.558 3.891 -8.844 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.583 2.851 -11.433 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.425 3.349 -9.979 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.562 1.047 -9.961 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.276 1.352 -8.895 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 -0.040 0.828 -10.479 1.00 1.52 H new ATOM 114 N PRO A 8 -1.947 3.082 -6.344 1.00 0.34 N ATOM 115 CA PRO A 8 -1.022 3.665 -5.371 1.00 0.32 C ATOM 116 C PRO A 8 0.278 4.145 -6.006 1.00 0.33 C ATOM 117 O PRO A 8 0.871 3.455 -6.836 1.00 0.44 O ATOM 118 CB PRO A 8 -0.749 2.512 -4.388 1.00 0.39 C ATOM 119 CG PRO A 8 -1.577 1.355 -4.863 1.00 0.44 C ATOM 120 CD PRO A 8 -1.882 1.618 -6.309 1.00 0.41 C ATOM 0 HA PRO A 8 -1.446 4.551 -4.899 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.310 2.254 -4.375 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -1.021 2.794 -3.371 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.036 0.416 -4.745 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.495 1.270 -4.282 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.106 1.228 -6.967 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.822 1.160 -6.618 1.00 0.41 H new ATOM 128 N VAL A 9 0.714 5.337 -5.603 1.00 0.34 N ATOM 129 CA VAL A 9 1.942 5.924 -6.122 1.00 0.38 C ATOM 130 C VAL A 9 2.760 6.559 -4.995 1.00 0.34 C ATOM 131 O VAL A 9 2.323 7.535 -4.384 1.00 0.35 O ATOM 132 CB VAL A 9 1.633 6.990 -7.191 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.939 8.197 -6.572 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.905 7.404 -7.915 1.00 0.53 C ATOM 0 H VAL A 9 0.231 5.915 -4.916 1.00 0.34 H new ATOM 0 HA VAL A 9 2.523 5.121 -6.577 1.00 0.38 H new ATOM 0 HB VAL A 9 0.952 6.554 -7.922 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.732 8.935 -7.347 1.00 1.09 H new ATOM 0 HG12 VAL A 9 0.003 7.882 -6.112 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.585 8.639 -5.814 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.667 8.157 -8.666 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.614 7.818 -7.198 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.347 6.534 -8.401 1.00 0.53 H new ATOM 144 N PRO A 10 3.953 6.015 -4.689 1.00 0.34 N ATOM 145 CA PRO A 10 4.796 6.543 -3.622 1.00 0.32 C ATOM 146 C PRO A 10 4.976 8.055 -3.694 1.00 0.37 C ATOM 147 O PRO A 10 5.221 8.618 -4.760 1.00 0.64 O ATOM 148 CB PRO A 10 6.129 5.831 -3.815 1.00 0.38 C ATOM 149 CG PRO A 10 5.777 4.554 -4.496 1.00 0.39 C ATOM 150 CD PRO A 10 4.564 4.844 -5.343 1.00 0.42 C ATOM 0 HA PRO A 10 4.348 6.367 -2.644 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.813 6.427 -4.419 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.623 5.648 -2.861 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.605 4.201 -5.111 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.564 3.771 -3.768 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.839 5.060 -6.375 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.880 3.996 -5.366 1.00 0.42 H new ATOM 158 N LEU A 11 4.849 8.699 -2.540 1.00 0.34 N ATOM 159 CA LEU A 11 4.990 10.144 -2.430 1.00 0.43 C ATOM 160 C LEU A 11 6.392 10.498 -1.929 1.00 0.43 C ATOM 161 O LEU A 11 6.943 11.548 -2.260 1.00 0.57 O ATOM 162 CB LEU A 11 3.884 10.678 -1.495 1.00 0.56 C ATOM 163 CG LEU A 11 4.324 11.365 -0.196 1.00 0.92 C ATOM 164 CD1 LEU A 11 4.950 12.718 -0.494 1.00 1.64 C ATOM 165 CD2 LEU A 11 3.135 11.513 0.743 1.00 1.12 C ATOM 0 H LEU A 11 4.646 8.234 -1.655 1.00 0.34 H new ATOM 0 HA LEU A 11 4.873 10.616 -3.405 1.00 0.43 H new ATOM 0 HB2 LEU A 11 3.278 11.386 -2.061 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.235 9.843 -1.231 1.00 0.56 H new ATOM 0 HG LEU A 11 5.077 10.746 0.293 1.00 0.92 H new ATOM 0 HD11 LEU A 11 5.256 13.191 0.439 1.00 1.64 H new ATOM 0 HD12 LEU A 11 5.821 12.583 -1.135 1.00 1.64 H new ATOM 0 HD13 LEU A 11 4.222 13.352 -1.000 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.456 12.002 1.663 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.364 12.115 0.262 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.732 10.528 0.977 1.00 1.12 H new ATOM 177 N ASN A 12 6.953 9.599 -1.130 1.00 0.34 N ATOM 178 CA ASN A 12 8.286 9.775 -0.565 1.00 0.36 C ATOM 179 C ASN A 12 8.860 8.420 -0.200 1.00 0.37 C ATOM 180 O ASN A 12 8.268 7.698 0.587 1.00 0.58 O ATOM 181 CB ASN A 12 8.225 10.651 0.687 1.00 0.42 C ATOM 182 CG ASN A 12 9.599 10.937 1.261 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.110 12.051 1.151 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.208 9.926 1.878 1.00 0.71 N ATOM 0 H ASN A 12 6.498 8.728 -0.855 1.00 0.34 H new ATOM 0 HA ASN A 12 8.920 10.262 -1.306 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.733 11.593 0.444 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.614 10.157 1.443 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.135 10.059 2.282 1.00 0.71 H new ATOM 0 HD22 ASN A 12 9.747 9.018 1.946 1.00 0.71 H new ATOM 191 N ILE A 13 10.002 8.062 -0.762 1.00 0.38 N ATOM 192 CA ILE A 13 10.590 6.768 -0.454 1.00 0.43 C ATOM 193 C ILE A 13 11.900 6.882 0.309 1.00 0.53 C ATOM 194 O ILE A 13 12.790 7.650 -0.057 1.00 0.75 O ATOM 195 CB ILE A 13 10.811 5.927 -1.719 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.329 6.799 -2.872 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.516 5.227 -2.095 1.00 0.53 C ATOM 198 CD1 ILE A 13 10.255 7.615 -3.562 1.00 0.96 C ATOM 0 H ILE A 13 10.532 8.634 -1.420 1.00 0.38 H new ATOM 0 HA ILE A 13 9.866 6.266 0.189 1.00 0.43 H new ATOM 0 HB ILE A 13 11.571 5.172 -1.518 1.00 0.48 H new ATOM 0 HG12 ILE A 13 12.093 7.475 -2.487 1.00 0.49 H new ATOM 0 HG13 ILE A 13 11.813 6.158 -3.609 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.673 4.630 -2.993 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.203 4.578 -1.278 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.742 5.971 -2.284 1.00 0.53 H new ATOM 0 HD11 ILE A 13 10.703 8.202 -4.363 1.00 0.96 H new ATOM 0 HD12 ILE A 13 9.502 6.947 -3.979 1.00 0.96 H new ATOM 0 HD13 ILE A 13 9.786 8.284 -2.840 1.00 0.96 H new ATOM 210 N THR A 14 11.999 6.091 1.369 1.00 0.59 N ATOM 211 CA THR A 14 13.186 6.058 2.207 1.00 0.71 C ATOM 212 C THR A 14 13.692 4.627 2.323 1.00 0.79 C ATOM 213 O THR A 14 12.916 3.677 2.231 1.00 1.46 O ATOM 214 CB THR A 14 12.878 6.623 3.596 1.00 0.75 C ATOM 215 OG1 THR A 14 11.725 7.444 3.559 1.00 0.69 O ATOM 216 CG2 THR A 14 14.009 7.446 4.171 1.00 0.94 C ATOM 0 H THR A 14 11.260 5.456 1.670 1.00 0.59 H new ATOM 0 HA THR A 14 13.958 6.676 1.749 1.00 0.71 H new ATOM 0 HB THR A 14 12.723 5.753 4.234 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.934 6.907 3.777 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.725 7.816 5.156 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.901 6.826 4.259 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.217 8.289 3.512 1.00 0.94 H new ATOM 224 N ARG A 15 14.993 4.478 2.520 1.00 0.66 N ATOM 225 CA ARG A 15 15.602 3.159 2.639 1.00 0.67 C ATOM 226 C ARG A 15 14.982 2.351 3.778 1.00 0.71 C ATOM 227 O ARG A 15 15.126 1.129 3.828 1.00 1.19 O ATOM 228 CB ARG A 15 17.105 3.297 2.864 1.00 0.80 C ATOM 229 CG ARG A 15 17.744 4.377 2.021 1.00 0.96 C ATOM 230 CD ARG A 15 18.183 5.558 2.872 1.00 1.13 C ATOM 231 NE ARG A 15 19.353 5.238 3.685 1.00 1.43 N ATOM 232 CZ ARG A 15 19.906 6.086 4.545 1.00 1.67 C ATOM 233 NH1 ARG A 15 19.395 7.299 4.702 1.00 1.90 N ATOM 234 NH2 ARG A 15 20.970 5.723 5.249 1.00 2.42 N ATOM 0 H ARG A 15 15.650 5.254 2.601 1.00 0.66 H new ATOM 0 HA ARG A 15 15.417 2.624 1.708 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.289 3.512 3.917 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.586 2.344 2.645 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.605 3.967 1.493 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.037 4.715 1.263 1.00 0.96 H new ATOM 0 HD2 ARG A 15 18.411 6.406 2.226 1.00 1.13 H new ATOM 0 HD3 ARG A 15 17.362 5.863 3.521 1.00 1.13 H new ATOM 0 HE ARG A 15 19.769 4.312 3.587 1.00 1.43 H new ATOM 0 HH11 ARG A 15 18.577 7.582 4.162 1.00 1.90 H new ATOM 0 HH12 ARG A 15 19.820 7.950 5.362 1.00 1.90 H new ATOM 0 HH21 ARG A 15 21.366 4.790 5.131 1.00 2.42 H new ATOM 0 HH22 ARG A 15 21.392 6.376 5.909 1.00 2.42 H new ATOM 248 N HIS A 16 14.300 3.031 4.694 1.00 0.50 N ATOM 249 CA HIS A 16 13.677 2.354 5.826 1.00 0.54 C ATOM 250 C HIS A 16 12.228 2.784 6.015 1.00 0.57 C ATOM 251 O HIS A 16 11.656 2.597 7.089 1.00 0.97 O ATOM 252 CB HIS A 16 14.465 2.636 7.104 1.00 0.67 C ATOM 253 CG HIS A 16 15.568 1.658 7.354 1.00 0.68 C ATOM 254 ND1 HIS A 16 15.596 0.791 8.423 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.700 1.417 6.646 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.719 0.067 8.335 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.425 0.407 7.274 1.00 0.86 N ATOM 0 H HIS A 16 14.165 4.042 4.676 1.00 0.50 H new ATOM 0 HA HIS A 16 13.687 1.285 5.614 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.886 3.640 7.047 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.781 2.625 7.953 1.00 0.67 H new ATOM 0 HD1 HIS A 16 14.887 0.714 9.152 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.992 1.927 5.740 1.00 0.78 H new ATOM 0 HE1 HIS A 16 17.009 -0.697 9.041 1.00 1.02 H new ATOM 265 N THR A 17 11.632 3.360 4.977 1.00 0.43 N ATOM 266 CA THR A 17 10.247 3.806 5.061 1.00 0.42 C ATOM 267 C THR A 17 9.773 4.401 3.741 1.00 0.38 C ATOM 268 O THR A 17 10.257 5.446 3.309 1.00 0.56 O ATOM 269 CB THR A 17 10.091 4.837 6.180 1.00 0.56 C ATOM 270 OG1 THR A 17 11.327 5.472 6.452 1.00 0.65 O ATOM 271 CG2 THR A 17 9.586 4.243 7.477 1.00 0.68 C ATOM 0 H THR A 17 12.081 3.528 4.077 1.00 0.43 H new ATOM 0 HA THR A 17 9.630 2.935 5.282 1.00 0.42 H new ATOM 0 HB THR A 17 9.352 5.550 5.814 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.206 6.129 7.169 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.499 5.029 8.227 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.609 3.788 7.313 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.286 3.484 7.826 1.00 0.68 H new ATOM 279 N VAL A 18 8.814 3.732 3.112 1.00 0.27 N ATOM 280 CA VAL A 18 8.261 4.196 1.847 1.00 0.33 C ATOM 281 C VAL A 18 6.878 4.803 2.068 1.00 0.32 C ATOM 282 O VAL A 18 6.052 4.247 2.781 1.00 0.51 O ATOM 283 CB VAL A 18 8.175 3.057 0.808 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.474 3.528 -0.460 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.563 2.524 0.483 1.00 0.46 C ATOM 0 H VAL A 18 8.403 2.865 3.459 1.00 0.27 H new ATOM 0 HA VAL A 18 8.934 4.958 1.453 1.00 0.33 H new ATOM 0 HB VAL A 18 7.586 2.249 1.241 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.426 2.707 -1.176 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.464 3.856 -0.217 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.030 4.358 -0.896 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.482 1.722 -0.251 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.175 3.328 0.076 1.00 0.46 H new ATOM 0 HG23 VAL A 18 10.027 2.139 1.391 1.00 0.46 H new ATOM 295 N THR A 19 6.645 5.949 1.449 1.00 0.27 N ATOM 296 CA THR A 19 5.376 6.655 1.566 1.00 0.24 C ATOM 297 C THR A 19 4.625 6.629 0.247 1.00 0.22 C ATOM 298 O THR A 19 5.203 6.930 -0.794 1.00 0.34 O ATOM 299 CB THR A 19 5.616 8.114 1.960 1.00 0.28 C ATOM 300 OG1 THR A 19 6.209 8.207 3.241 1.00 0.35 O ATOM 301 CG2 THR A 19 4.350 8.939 1.975 1.00 0.32 C ATOM 0 H THR A 19 7.327 6.417 0.852 1.00 0.27 H new ATOM 0 HA THR A 19 4.785 6.154 2.333 1.00 0.24 H new ATOM 0 HB THR A 19 6.284 8.511 1.196 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.353 9.150 3.467 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.587 9.964 2.262 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.901 8.935 0.982 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.648 8.515 2.692 1.00 0.32 H new ATOM 309 N LEU A 20 3.339 6.290 0.290 1.00 0.28 N ATOM 310 CA LEU A 20 2.541 6.258 -0.922 1.00 0.26 C ATOM 311 C LEU A 20 1.139 6.790 -0.687 1.00 0.28 C ATOM 312 O LEU A 20 0.526 6.576 0.364 1.00 0.40 O ATOM 313 CB LEU A 20 2.470 4.852 -1.535 1.00 0.33 C ATOM 314 CG LEU A 20 2.774 3.682 -0.599 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.210 3.744 -0.117 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.805 3.656 0.569 1.00 0.52 C ATOM 0 H LEU A 20 2.837 6.037 1.141 1.00 0.28 H new ATOM 0 HA LEU A 20 3.047 6.912 -1.633 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.470 4.709 -1.946 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.167 4.809 -2.372 1.00 0.33 H new ATOM 0 HG LEU A 20 2.645 2.755 -1.157 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.407 2.903 0.548 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.883 3.696 -0.973 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.373 4.678 0.421 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.042 2.815 1.220 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.889 4.585 1.132 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.787 3.549 0.195 1.00 0.52 H new ATOM 328 N LYS A 21 0.653 7.487 -1.699 1.00 0.25 N ATOM 329 CA LYS A 21 -0.674 8.075 -1.678 1.00 0.31 C ATOM 330 C LYS A 21 -1.471 7.575 -2.876 1.00 0.31 C ATOM 331 O LYS A 21 -0.960 7.532 -3.997 1.00 0.51 O ATOM 332 CB LYS A 21 -0.579 9.603 -1.711 1.00 0.40 C ATOM 333 CG LYS A 21 -1.693 10.300 -0.947 1.00 0.81 C ATOM 334 CD LYS A 21 -3.055 9.723 -1.299 1.00 0.95 C ATOM 335 CE LYS A 21 -4.165 10.738 -1.081 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.874 12.034 -1.755 1.00 1.84 N ATOM 0 H LYS A 21 1.170 7.661 -2.561 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.180 7.779 -0.759 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.381 9.908 -1.295 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.597 9.937 -2.748 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.520 10.199 0.124 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.679 11.366 -1.173 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.056 9.400 -2.340 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.245 8.839 -0.690 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -5.104 10.335 -1.459 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.298 10.907 -0.012 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.767 12.490 -2.031 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -3.355 12.656 -1.103 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.297 11.862 -2.603 1.00 1.84 H new ATOM 350 N TRP A 22 -2.718 7.190 -2.642 1.00 0.25 N ATOM 351 CA TRP A 22 -3.562 6.691 -3.717 1.00 0.24 C ATOM 352 C TRP A 22 -4.877 7.452 -3.782 1.00 0.24 C ATOM 353 O TRP A 22 -5.188 8.259 -2.905 1.00 0.40 O ATOM 354 CB TRP A 22 -3.836 5.200 -3.529 1.00 0.27 C ATOM 355 CG TRP A 22 -4.398 4.855 -2.189 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.711 4.665 -1.877 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.661 4.647 -0.980 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.837 4.354 -0.546 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.594 4.336 0.026 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.305 4.691 -0.650 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.214 4.076 1.337 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.929 4.430 0.654 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.882 4.125 1.633 1.00 0.32 C ATOM 0 H TRP A 22 -3.164 7.213 -1.725 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.030 6.843 -4.656 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.531 4.868 -4.301 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -2.908 4.648 -3.676 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.532 4.747 -2.574 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.715 4.167 -0.062 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.564 4.925 -1.400 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.947 3.843 2.095 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.883 4.462 0.922 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.557 3.924 2.643 1.00 0.32 H new ATOM 374 N ALA A 23 -5.647 7.185 -4.830 1.00 0.31 N ATOM 375 CA ALA A 23 -6.932 7.837 -5.023 1.00 0.33 C ATOM 376 C ALA A 23 -8.026 7.124 -4.235 1.00 0.36 C ATOM 377 O ALA A 23 -7.745 6.422 -3.265 1.00 0.83 O ATOM 378 CB ALA A 23 -7.278 7.875 -6.504 1.00 0.36 C ATOM 0 H ALA A 23 -5.400 6.518 -5.561 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.862 8.859 -4.651 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.242 8.365 -6.640 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.510 8.430 -7.043 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.330 6.858 -6.892 1.00 0.36 H new ATOM 384 N LYS A 24 -9.272 7.306 -4.655 1.00 0.59 N ATOM 385 CA LYS A 24 -10.403 6.677 -3.985 1.00 0.61 C ATOM 386 C LYS A 24 -11.395 6.134 -5.004 1.00 0.59 C ATOM 387 O LYS A 24 -11.411 6.567 -6.156 1.00 0.69 O ATOM 388 CB LYS A 24 -11.106 7.681 -3.073 1.00 0.74 C ATOM 389 CG LYS A 24 -11.337 9.034 -3.728 1.00 1.21 C ATOM 390 CD LYS A 24 -12.643 9.064 -4.508 1.00 1.22 C ATOM 391 CE LYS A 24 -12.599 10.096 -5.622 1.00 1.55 C ATOM 392 NZ LYS A 24 -13.704 11.085 -5.504 1.00 2.11 N ATOM 0 H LYS A 24 -9.525 7.884 -5.456 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.024 5.850 -3.384 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -12.065 7.268 -2.762 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.511 7.820 -2.170 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.351 9.811 -2.964 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -10.507 9.261 -4.398 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.839 8.078 -4.930 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.467 9.291 -3.832 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -11.642 10.616 -5.598 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -12.664 9.592 -6.587 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -13.640 11.772 -6.282 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -14.618 10.592 -5.553 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -13.628 11.584 -4.595 1.00 2.11 H new ATOM 406 N PRO A 25 -12.245 5.182 -4.595 1.00 0.56 N ATOM 407 CA PRO A 25 -13.245 4.598 -5.487 1.00 0.63 C ATOM 408 C PRO A 25 -14.355 5.589 -5.820 1.00 0.75 C ATOM 409 O PRO A 25 -14.443 6.660 -5.220 1.00 0.89 O ATOM 410 CB PRO A 25 -13.790 3.415 -4.689 1.00 0.63 C ATOM 411 CG PRO A 25 -13.559 3.780 -3.263 1.00 0.71 C ATOM 412 CD PRO A 25 -12.303 4.607 -3.239 1.00 0.58 C ATOM 0 HA PRO A 25 -12.823 4.309 -6.449 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.849 3.256 -4.890 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.274 2.491 -4.949 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -14.403 4.342 -2.864 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.450 2.888 -2.646 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.348 5.383 -2.475 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.425 3.998 -3.023 1.00 0.58 H new ATOM 420 N GLU A 26 -15.191 5.234 -6.786 1.00 0.85 N ATOM 421 CA GLU A 26 -16.284 6.104 -7.205 1.00 1.05 C ATOM 422 C GLU A 26 -17.651 5.502 -6.895 1.00 0.95 C ATOM 423 O GLU A 26 -18.651 6.219 -6.847 1.00 1.12 O ATOM 424 CB GLU A 26 -16.178 6.384 -8.703 1.00 1.29 C ATOM 425 CG GLU A 26 -15.892 5.141 -9.532 1.00 1.83 C ATOM 426 CD GLU A 26 -14.432 5.020 -9.924 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.894 5.981 -10.514 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.828 3.965 -9.642 1.00 2.77 O ATOM 0 H GLU A 26 -15.134 4.351 -7.294 1.00 0.85 H new ATOM 0 HA GLU A 26 -16.195 7.033 -6.642 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -17.109 6.835 -9.047 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.387 7.115 -8.873 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -16.186 4.257 -8.966 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -16.505 5.162 -10.433 1.00 1.83 H new ATOM 435 N TYR A 27 -17.701 4.190 -6.695 1.00 0.85 N ATOM 436 CA TYR A 27 -18.970 3.528 -6.405 1.00 0.84 C ATOM 437 C TYR A 27 -19.023 2.971 -4.983 1.00 0.86 C ATOM 438 O TYR A 27 -19.699 3.531 -4.121 1.00 1.37 O ATOM 439 CB TYR A 27 -19.247 2.416 -7.422 1.00 0.86 C ATOM 440 CG TYR A 27 -20.722 2.175 -7.650 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.499 1.530 -6.695 1.00 0.93 C ATOM 442 CD2 TYR A 27 -21.338 2.592 -8.823 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.846 1.307 -6.905 1.00 1.04 C ATOM 444 CE2 TYR A 27 -22.684 2.373 -9.040 1.00 1.28 C ATOM 445 CZ TYR A 27 -23.438 1.737 -8.057 1.00 1.19 C ATOM 446 OH TYR A 27 -24.776 1.511 -8.290 1.00 1.35 O ATOM 0 H TYR A 27 -16.891 3.570 -6.727 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.748 4.287 -6.486 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.776 2.674 -8.371 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.783 1.492 -7.077 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.042 1.198 -5.774 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -20.754 3.096 -9.579 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -23.431 0.792 -6.157 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -23.147 2.692 -9.962 1.00 1.28 H new ATOM 0 HH TYR A 27 -25.025 1.888 -9.160 1.00 1.35 H new ATOM 456 N THR A 28 -18.324 1.862 -4.738 1.00 0.65 N ATOM 457 CA THR A 28 -18.320 1.241 -3.412 1.00 0.61 C ATOM 458 C THR A 28 -19.740 1.122 -2.868 1.00 0.66 C ATOM 459 O THR A 28 -20.046 1.649 -1.799 1.00 0.81 O ATOM 460 CB THR A 28 -17.470 2.052 -2.437 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.164 3.210 -2.011 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.152 2.495 -3.022 1.00 0.79 C ATOM 0 H THR A 28 -17.757 1.378 -5.434 1.00 0.65 H new ATOM 0 HA THR A 28 -17.892 0.244 -3.514 1.00 0.61 H new ATOM 0 HB THR A 28 -17.270 1.383 -1.600 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.908 2.950 -1.429 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.597 3.066 -2.278 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.571 1.620 -3.315 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.334 3.119 -3.897 1.00 0.79 H new ATOM 470 N GLY A 29 -20.606 0.434 -3.614 1.00 0.75 N ATOM 471 CA GLY A 29 -21.991 0.267 -3.193 1.00 0.80 C ATOM 472 C GLY A 29 -22.578 1.544 -2.614 1.00 0.85 C ATOM 473 O GLY A 29 -23.049 2.415 -3.346 1.00 1.01 O ATOM 0 H GLY A 29 -20.373 -0.011 -4.502 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.591 -0.052 -4.045 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -22.048 -0.527 -2.448 1.00 0.80 H new ATOM 477 N GLY A 30 -22.528 1.652 -1.295 1.00 0.83 N ATOM 478 CA GLY A 30 -23.034 2.827 -0.610 1.00 0.89 C ATOM 479 C GLY A 30 -22.245 3.090 0.655 1.00 0.85 C ATOM 480 O GLY A 30 -22.760 3.653 1.621 1.00 0.98 O ATOM 0 H GLY A 30 -22.141 0.938 -0.678 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.973 3.693 -1.269 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.087 2.686 -0.365 1.00 0.89 H new ATOM 484 N PHE A 31 -20.990 2.656 0.641 1.00 0.73 N ATOM 485 CA PHE A 31 -20.094 2.802 1.777 1.00 0.69 C ATOM 486 C PHE A 31 -19.081 3.918 1.549 1.00 0.67 C ATOM 487 O PHE A 31 -19.103 4.597 0.521 1.00 0.74 O ATOM 488 CB PHE A 31 -19.343 1.485 2.027 1.00 0.63 C ATOM 489 CG PHE A 31 -19.970 0.287 1.361 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.052 -0.365 1.937 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.468 -0.186 0.163 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.617 -1.469 1.325 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.027 -1.289 -0.453 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.149 -1.912 0.136 1.00 0.83 C ATOM 0 H PHE A 31 -20.566 2.192 -0.162 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.701 3.057 2.645 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.318 1.590 1.672 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.292 1.306 3.101 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.456 -0.007 2.872 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.628 0.313 -0.297 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.440 -1.982 1.801 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.611 -1.670 -1.374 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.632 -2.740 -0.362 1.00 0.83 H new ATOM 504 N LYS A 32 -18.189 4.089 2.516 1.00 0.68 N ATOM 505 CA LYS A 32 -17.150 5.110 2.438 1.00 0.72 C ATOM 506 C LYS A 32 -15.786 4.550 2.856 1.00 0.66 C ATOM 507 O LYS A 32 -14.810 5.294 2.949 1.00 0.74 O ATOM 508 CB LYS A 32 -17.518 6.297 3.331 1.00 0.86 C ATOM 509 CG LYS A 32 -16.643 7.522 3.115 1.00 1.38 C ATOM 510 CD LYS A 32 -16.219 8.140 4.438 1.00 1.38 C ATOM 511 CE LYS A 32 -15.441 7.151 5.291 1.00 1.50 C ATOM 512 NZ LYS A 32 -15.989 7.050 6.670 1.00 2.26 N ATOM 0 H LYS A 32 -18.164 3.530 3.369 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.079 5.440 1.402 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.558 6.568 3.149 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.447 5.990 4.375 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.759 7.243 2.542 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.186 8.260 2.524 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -15.605 9.021 4.249 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.101 8.477 4.983 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.465 6.169 4.819 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.396 7.457 5.338 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -15.429 6.365 7.217 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.943 7.981 7.131 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -16.979 6.733 6.628 1.00 2.26 H new ATOM 526 N ILE A 33 -15.720 3.239 3.113 1.00 0.67 N ATOM 527 CA ILE A 33 -14.477 2.598 3.525 1.00 0.66 C ATOM 528 C ILE A 33 -13.970 3.200 4.832 1.00 0.80 C ATOM 529 O ILE A 33 -14.144 4.392 5.086 1.00 1.71 O ATOM 530 CB ILE A 33 -13.388 2.717 2.442 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.889 2.094 1.134 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.103 2.044 2.911 1.00 0.58 C ATOM 533 CD1 ILE A 33 -12.836 1.988 0.051 1.00 0.91 C ATOM 0 H ILE A 33 -16.516 2.605 3.041 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.694 1.540 3.675 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.171 3.770 2.263 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.278 1.098 1.345 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.722 2.688 0.758 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.341 2.135 2.137 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.752 2.526 3.824 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.296 0.989 3.108 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.274 1.537 -0.839 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.463 2.983 -0.192 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.012 1.368 0.404 1.00 0.91 H new ATOM 545 N THR A 34 -13.350 2.373 5.667 1.00 0.72 N ATOM 546 CA THR A 34 -12.837 2.842 6.948 1.00 0.73 C ATOM 547 C THR A 34 -11.411 2.357 7.201 1.00 0.59 C ATOM 548 O THR A 34 -10.941 2.367 8.339 1.00 0.76 O ATOM 549 CB THR A 34 -13.752 2.383 8.087 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.385 1.091 8.535 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.217 2.334 7.703 1.00 1.15 C ATOM 0 H THR A 34 -13.192 1.383 5.482 1.00 0.72 H new ATOM 0 HA THR A 34 -12.819 3.931 6.913 1.00 0.73 H new ATOM 0 HB THR A 34 -13.625 3.128 8.873 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.980 0.816 9.264 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.806 2.001 8.557 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.547 3.328 7.400 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.353 1.638 6.875 1.00 1.15 H new ATOM 559 N SER A 35 -10.720 1.937 6.144 1.00 0.49 N ATOM 560 CA SER A 35 -9.347 1.460 6.284 1.00 0.47 C ATOM 561 C SER A 35 -8.752 1.031 4.945 1.00 0.45 C ATOM 562 O SER A 35 -9.465 0.593 4.042 1.00 0.72 O ATOM 563 CB SER A 35 -9.289 0.290 7.267 1.00 0.64 C ATOM 564 OG SER A 35 -7.963 -0.189 7.412 1.00 1.58 O ATOM 0 H SER A 35 -11.083 1.917 5.191 1.00 0.49 H new ATOM 0 HA SER A 35 -8.754 2.292 6.666 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.673 0.606 8.237 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.934 -0.516 6.917 1.00 0.64 H new ATOM 0 HG SER A 35 -7.952 -0.936 8.047 1.00 1.58 H new ATOM 570 N TYR A 36 -7.433 1.155 4.837 1.00 0.27 N ATOM 571 CA TYR A 36 -6.714 0.776 3.628 1.00 0.28 C ATOM 572 C TYR A 36 -5.473 -0.033 3.991 1.00 0.33 C ATOM 573 O TYR A 36 -4.452 0.526 4.389 1.00 0.68 O ATOM 574 CB TYR A 36 -6.307 2.013 2.832 1.00 0.29 C ATOM 575 CG TYR A 36 -7.452 2.944 2.497 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.414 2.579 1.563 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.578 4.180 3.118 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.465 3.422 1.253 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.627 5.028 2.814 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.549 4.665 1.881 1.00 0.60 C ATOM 581 OH TYR A 36 -10.613 5.483 1.577 1.00 0.76 O ATOM 0 H TYR A 36 -6.837 1.519 5.580 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.376 0.167 3.012 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.559 2.566 3.400 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.831 1.693 1.905 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.339 1.621 1.071 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.845 4.484 3.850 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.212 3.122 0.533 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.715 5.979 3.317 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.542 6.316 2.089 1.00 0.76 H new ATOM 591 N ILE A 37 -5.571 -1.351 3.862 1.00 0.24 N ATOM 592 CA ILE A 37 -4.454 -2.233 4.190 1.00 0.26 C ATOM 593 C ILE A 37 -3.480 -2.338 3.023 1.00 0.33 C ATOM 594 O ILE A 37 -3.823 -2.864 1.967 1.00 0.70 O ATOM 595 CB ILE A 37 -4.921 -3.661 4.557 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.253 -3.654 5.321 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.850 -4.361 5.379 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.199 -4.745 4.870 1.00 1.14 C ATOM 0 H ILE A 37 -6.408 -1.832 3.534 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.963 -1.787 5.055 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.082 -4.205 3.626 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.055 -3.770 6.387 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.735 -2.685 5.190 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.186 -5.366 5.634 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.929 -4.422 4.800 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.667 -3.797 6.294 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.122 -4.688 5.447 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.424 -4.617 3.811 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.733 -5.718 5.026 1.00 1.14 H new ATOM 610 N VAL A 38 -2.260 -1.843 3.213 1.00 0.36 N ATOM 611 CA VAL A 38 -1.256 -1.904 2.156 1.00 0.42 C ATOM 612 C VAL A 38 -0.236 -3.009 2.445 1.00 0.35 C ATOM 613 O VAL A 38 0.619 -2.878 3.320 1.00 0.48 O ATOM 614 CB VAL A 38 -0.570 -0.513 1.880 1.00 0.63 C ATOM 615 CG1 VAL A 38 -1.057 0.554 2.850 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.959 -0.572 1.884 1.00 0.51 C ATOM 0 H VAL A 38 -1.946 -1.401 4.077 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.774 -2.159 1.231 1.00 0.42 H new ATOM 0 HB VAL A 38 -0.872 -0.240 0.869 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.562 1.500 2.629 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -2.135 0.676 2.746 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.823 0.252 3.871 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.362 0.421 1.687 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.307 -0.919 2.857 1.00 0.51 H new ATOM 0 HG23 VAL A 38 1.299 -1.261 1.111 1.00 0.51 H new ATOM 626 N GLU A 39 -0.349 -4.096 1.690 1.00 0.30 N ATOM 627 CA GLU A 39 0.537 -5.241 1.830 1.00 0.33 C ATOM 628 C GLU A 39 1.908 -4.955 1.226 1.00 0.32 C ATOM 629 O GLU A 39 2.041 -4.117 0.334 1.00 0.43 O ATOM 630 CB GLU A 39 -0.089 -6.462 1.159 1.00 0.42 C ATOM 631 CG GLU A 39 -1.540 -6.696 1.554 1.00 0.51 C ATOM 632 CD GLU A 39 -2.227 -7.719 0.671 1.00 0.92 C ATOM 633 OE1 GLU A 39 -2.285 -7.501 -0.557 1.00 1.52 O ATOM 634 OE2 GLU A 39 -2.706 -8.739 1.208 1.00 1.67 O ATOM 0 H GLU A 39 -1.058 -4.206 0.965 1.00 0.30 H new ATOM 0 HA GLU A 39 0.674 -5.441 2.893 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -0.030 -6.342 0.077 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.496 -7.346 1.414 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.581 -7.030 2.591 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.084 -5.753 1.502 1.00 0.51 H new ATOM 641 N LYS A 40 2.923 -5.658 1.717 1.00 0.28 N ATOM 642 CA LYS A 40 4.284 -5.480 1.225 1.00 0.31 C ATOM 643 C LYS A 40 4.806 -6.755 0.584 1.00 0.29 C ATOM 644 O LYS A 40 4.665 -7.846 1.138 1.00 0.35 O ATOM 645 CB LYS A 40 5.226 -5.070 2.358 1.00 0.43 C ATOM 646 CG LYS A 40 5.043 -5.885 3.629 1.00 0.92 C ATOM 647 CD LYS A 40 6.233 -5.724 4.562 1.00 1.14 C ATOM 648 CE LYS A 40 6.314 -6.862 5.566 1.00 1.65 C ATOM 649 NZ LYS A 40 6.319 -6.362 6.969 1.00 1.97 N ATOM 0 H LYS A 40 2.829 -6.356 2.455 1.00 0.28 H new ATOM 0 HA LYS A 40 4.254 -4.689 0.476 1.00 0.31 H new ATOM 0 HB2 LYS A 40 6.256 -5.171 2.017 1.00 0.43 H new ATOM 0 HB3 LYS A 40 5.068 -4.016 2.587 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.133 -5.569 4.139 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.917 -6.937 3.374 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.152 -5.688 3.977 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.155 -4.775 5.092 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.468 -7.534 5.423 1.00 1.65 H new ATOM 0 HE3 LYS A 40 7.218 -7.444 5.384 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.375 -7.168 7.624 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.140 -5.740 7.113 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.445 -5.828 7.150 1.00 1.97 H new ATOM 663 N ARG A 41 5.422 -6.607 -0.579 1.00 0.36 N ATOM 664 CA ARG A 41 5.981 -7.744 -1.291 1.00 0.40 C ATOM 665 C ARG A 41 7.501 -7.638 -1.320 1.00 0.41 C ATOM 666 O ARG A 41 8.066 -6.874 -2.108 1.00 0.43 O ATOM 667 CB ARG A 41 5.424 -7.817 -2.715 1.00 0.46 C ATOM 668 CG ARG A 41 5.755 -9.115 -3.436 1.00 0.58 C ATOM 669 CD ARG A 41 5.325 -9.071 -4.893 1.00 0.88 C ATOM 670 NE ARG A 41 4.326 -10.089 -5.204 1.00 0.95 N ATOM 671 CZ ARG A 41 3.848 -10.299 -6.426 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.275 -9.565 -7.444 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.941 -11.246 -6.631 1.00 1.44 N ATOM 0 H ARG A 41 5.547 -5.710 -1.049 1.00 0.36 H new ATOM 0 HA ARG A 41 5.698 -8.658 -0.769 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.341 -7.698 -2.678 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.817 -6.980 -3.293 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.827 -9.301 -3.378 1.00 0.58 H new ATOM 0 HG3 ARG A 41 5.260 -9.947 -2.935 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.920 -8.085 -5.121 1.00 0.88 H new ATOM 0 HD3 ARG A 41 6.197 -9.213 -5.532 1.00 0.88 H new ATOM 0 HE ARG A 41 3.976 -10.670 -4.442 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.972 -8.837 -7.290 1.00 1.44 H new ATOM 0 HH12 ARG A 41 3.906 -9.729 -8.381 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.610 -11.813 -5.850 1.00 1.44 H new ATOM 0 HH22 ARG A 41 2.575 -11.407 -7.569 1.00 1.44 H new ATOM 687 N ASP A 42 8.153 -8.405 -0.449 1.00 0.50 N ATOM 688 CA ASP A 42 9.608 -8.404 -0.364 1.00 0.57 C ATOM 689 C ASP A 42 10.218 -9.024 -1.612 1.00 0.62 C ATOM 690 O ASP A 42 9.695 -9.998 -2.151 1.00 0.91 O ATOM 691 CB ASP A 42 10.072 -9.164 0.883 1.00 0.71 C ATOM 692 CG ASP A 42 9.198 -8.888 2.091 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.967 -9.073 1.987 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.743 -8.489 3.141 1.00 1.59 O ATOM 0 H ASP A 42 7.694 -9.036 0.208 1.00 0.50 H new ATOM 0 HA ASP A 42 9.945 -7.370 -0.290 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.070 -10.234 0.674 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.101 -8.886 1.112 1.00 0.71 H new ATOM 699 N LEU A 43 11.323 -8.453 -2.070 1.00 0.63 N ATOM 700 CA LEU A 43 11.996 -8.954 -3.261 1.00 0.68 C ATOM 701 C LEU A 43 13.474 -9.231 -2.987 1.00 0.81 C ATOM 702 O LEU A 43 14.066 -8.632 -2.090 1.00 0.90 O ATOM 703 CB LEU A 43 11.839 -7.953 -4.402 1.00 0.62 C ATOM 704 CG LEU A 43 10.452 -7.316 -4.492 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.493 -6.056 -5.338 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.450 -8.310 -5.058 1.00 0.70 C ATOM 0 H LEU A 43 11.772 -7.646 -1.637 1.00 0.63 H new ATOM 0 HA LEU A 43 11.532 -9.898 -3.548 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.582 -7.164 -4.283 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.057 -8.456 -5.344 1.00 0.62 H new ATOM 0 HG LEU A 43 10.134 -7.038 -3.487 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.496 -5.619 -5.389 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.181 -5.339 -4.890 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.832 -6.304 -6.344 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.467 -7.843 -5.116 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.766 -8.617 -6.055 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.398 -9.184 -4.409 1.00 0.70 H new ATOM 718 N PRO A 44 14.088 -10.161 -3.749 1.00 0.92 N ATOM 719 CA PRO A 44 13.427 -10.902 -4.830 1.00 0.99 C ATOM 720 C PRO A 44 12.608 -12.100 -4.341 1.00 1.15 C ATOM 721 O PRO A 44 12.370 -13.042 -5.097 1.00 1.43 O ATOM 722 CB PRO A 44 14.596 -11.388 -5.705 1.00 1.15 C ATOM 723 CG PRO A 44 15.851 -10.899 -5.045 1.00 1.25 C ATOM 724 CD PRO A 44 15.490 -10.552 -3.629 1.00 1.08 C ATOM 0 HA PRO A 44 12.707 -10.269 -5.349 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.597 -12.475 -5.783 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.512 -10.996 -6.718 1.00 1.15 H new ATOM 0 HG2 PRO A 44 16.625 -11.666 -5.070 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.248 -10.029 -5.567 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.619 -11.401 -2.957 1.00 1.08 H new ATOM 0 HD3 PRO A 44 16.106 -9.741 -3.240 1.00 1.08 H new ATOM 732 N ASN A 45 12.172 -12.067 -3.083 1.00 1.14 N ATOM 733 CA ASN A 45 11.379 -13.157 -2.521 1.00 1.33 C ATOM 734 C ASN A 45 10.502 -12.658 -1.375 1.00 1.43 C ATOM 735 O ASN A 45 10.971 -12.485 -0.250 1.00 2.42 O ATOM 736 CB ASN A 45 12.289 -14.290 -2.032 1.00 1.66 C ATOM 737 CG ASN A 45 13.594 -13.784 -1.446 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.614 -13.179 -0.374 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.693 -14.032 -2.150 1.00 1.89 N ATOM 0 H ASN A 45 12.354 -11.300 -2.436 1.00 1.14 H new ATOM 0 HA ASN A 45 10.732 -13.542 -3.309 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.761 -14.875 -1.279 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.505 -14.961 -2.863 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.600 -13.717 -1.807 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.629 -14.537 -3.034 1.00 1.89 H new ATOM 746 N GLY A 46 9.224 -12.428 -1.672 1.00 0.90 N ATOM 747 CA GLY A 46 8.299 -11.950 -0.660 1.00 1.12 C ATOM 748 C GLY A 46 6.851 -12.076 -1.094 1.00 0.76 C ATOM 749 O GLY A 46 6.569 -12.332 -2.265 1.00 0.96 O ATOM 0 H GLY A 46 8.814 -12.565 -2.596 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.450 -12.513 0.261 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.518 -10.906 -0.435 1.00 1.12 H new ATOM 753 N ARG A 47 5.929 -11.900 -0.151 1.00 0.80 N ATOM 754 CA ARG A 47 4.506 -12.002 -0.450 1.00 0.76 C ATOM 755 C ARG A 47 3.731 -10.833 0.151 1.00 0.85 C ATOM 756 O ARG A 47 4.096 -10.307 1.203 1.00 1.71 O ATOM 757 CB ARG A 47 3.952 -13.324 0.090 1.00 0.99 C ATOM 758 CG ARG A 47 3.742 -13.327 1.597 1.00 1.31 C ATOM 759 CD ARG A 47 5.047 -13.126 2.342 1.00 1.11 C ATOM 760 NE ARG A 47 5.019 -13.758 3.661 1.00 1.41 N ATOM 761 CZ ARG A 47 6.098 -14.205 4.300 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.301 -14.092 3.752 1.00 2.41 N ATOM 763 NH2 ARG A 47 5.973 -14.768 5.494 1.00 2.03 N ATOM 0 H ARG A 47 6.142 -11.687 0.823 1.00 0.80 H new ATOM 0 HA ARG A 47 4.385 -11.971 -1.533 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.003 -13.538 -0.401 1.00 0.99 H new ATOM 0 HB3 ARG A 47 4.636 -14.130 -0.175 1.00 0.99 H new ATOM 0 HG2 ARG A 47 3.042 -12.537 1.869 1.00 1.31 H new ATOM 0 HG3 ARG A 47 3.291 -14.272 1.900 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.868 -13.541 1.757 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.242 -12.059 2.453 1.00 1.11 H new ATOM 0 HE ARG A 47 4.115 -13.863 4.121 1.00 1.41 H new ATOM 0 HH11 ARG A 47 7.405 -13.660 2.834 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.122 -14.437 4.249 1.00 2.41 H new ATOM 0 HH21 ARG A 47 5.051 -14.858 5.921 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.799 -15.111 5.985 1.00 2.03 H new ATOM 777 N TRP A 48 2.659 -10.436 -0.520 1.00 0.50 N ATOM 778 CA TRP A 48 1.831 -9.340 -0.059 1.00 0.43 C ATOM 779 C TRP A 48 1.338 -9.581 1.363 1.00 0.45 C ATOM 780 O TRP A 48 0.448 -10.399 1.596 1.00 0.65 O ATOM 781 CB TRP A 48 0.650 -9.141 -1.008 1.00 0.47 C ATOM 782 CG TRP A 48 1.094 -8.984 -2.425 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.979 -9.896 -3.432 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.750 -7.845 -2.984 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.521 -9.390 -4.588 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.000 -8.130 -4.338 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.146 -6.611 -2.469 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.632 -7.222 -5.183 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.773 -5.710 -3.307 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.009 -6.018 -4.650 1.00 0.38 C ATOM 0 H TRP A 48 2.344 -10.863 -1.391 1.00 0.50 H new ATOM 0 HA TRP A 48 2.437 -8.434 -0.052 1.00 0.43 H new ATOM 0 HB2 TRP A 48 -0.025 -9.994 -0.931 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.085 -8.259 -0.705 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.528 -10.873 -3.335 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.561 -9.873 -5.486 1.00 0.50 H new ATOM 0 HE3 TRP A 48 1.966 -6.364 -1.433 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.818 -7.458 -6.220 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.086 -4.752 -2.919 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.499 -5.291 -5.281 1.00 0.38 H new ATOM 801 N LEU A 49 1.924 -8.856 2.310 1.00 0.38 N ATOM 802 CA LEU A 49 1.550 -8.975 3.712 1.00 0.42 C ATOM 803 C LEU A 49 1.386 -7.592 4.337 1.00 0.36 C ATOM 804 O LEU A 49 2.312 -6.781 4.322 1.00 0.39 O ATOM 805 CB LEU A 49 2.603 -9.780 4.478 1.00 0.52 C ATOM 806 CG LEU A 49 2.106 -11.106 5.057 1.00 0.67 C ATOM 807 CD1 LEU A 49 1.219 -10.859 6.266 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.361 -11.902 3.998 1.00 0.84 C ATOM 0 H LEU A 49 2.663 -8.177 2.129 1.00 0.38 H new ATOM 0 HA LEU A 49 0.597 -9.501 3.773 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.440 -9.983 3.810 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.987 -9.166 5.293 1.00 0.52 H new ATOM 0 HG LEU A 49 2.969 -11.689 5.379 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.874 -11.813 6.665 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.786 -10.329 7.031 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.359 -10.258 5.970 1.00 1.28 H new ATOM 0 HD21 LEU A 49 1.014 -12.842 4.427 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.505 -11.327 3.645 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.029 -12.109 3.162 1.00 0.84 H new ATOM 820 N LYS A 50 0.202 -7.326 4.881 1.00 0.40 N ATOM 821 CA LYS A 50 -0.088 -6.037 5.506 1.00 0.40 C ATOM 822 C LYS A 50 1.063 -5.581 6.399 1.00 0.47 C ATOM 823 O LYS A 50 1.408 -6.247 7.376 1.00 0.85 O ATOM 824 CB LYS A 50 -1.381 -6.122 6.319 1.00 0.59 C ATOM 825 CG LYS A 50 -1.312 -7.112 7.469 1.00 0.72 C ATOM 826 CD LYS A 50 -2.672 -7.730 7.750 1.00 1.03 C ATOM 827 CE LYS A 50 -3.615 -6.730 8.401 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.859 -7.379 8.897 1.00 1.30 N ATOM 0 H LYS A 50 -0.575 -7.987 4.902 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.212 -5.301 4.712 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.617 -5.134 6.715 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.199 -6.404 5.656 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.595 -7.898 7.232 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -0.948 -6.608 8.364 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.109 -8.090 6.818 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.552 -8.596 8.401 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.106 -6.239 9.231 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.873 -5.953 7.681 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.474 -6.663 9.333 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.358 -7.826 8.102 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -4.615 -8.103 9.603 1.00 1.30 H new ATOM 842 N ALA A 51 1.655 -4.443 6.052 1.00 0.45 N ATOM 843 CA ALA A 51 2.770 -3.894 6.815 1.00 0.63 C ATOM 844 C ALA A 51 2.341 -2.717 7.688 1.00 0.55 C ATOM 845 O ALA A 51 3.114 -2.247 8.524 1.00 0.72 O ATOM 846 CB ALA A 51 3.888 -3.467 5.875 1.00 0.86 C ATOM 0 H ALA A 51 1.380 -3.882 5.246 1.00 0.45 H new ATOM 0 HA ALA A 51 3.132 -4.680 7.478 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.715 -3.059 6.455 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.235 -4.330 5.306 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.516 -2.706 5.189 1.00 0.86 H new ATOM 852 N ASN A 52 1.117 -2.234 7.493 1.00 0.42 N ATOM 853 CA ASN A 52 0.617 -1.107 8.271 1.00 0.43 C ATOM 854 C ASN A 52 0.189 -1.541 9.673 1.00 0.59 C ATOM 855 O ASN A 52 0.659 -0.989 10.667 1.00 1.60 O ATOM 856 CB ASN A 52 -0.545 -0.423 7.541 1.00 0.38 C ATOM 857 CG ASN A 52 -1.683 -1.371 7.214 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.524 -2.299 6.422 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.840 -1.142 7.825 1.00 0.62 N ATOM 0 H ASN A 52 0.458 -2.603 6.808 1.00 0.42 H new ATOM 0 HA ASN A 52 1.432 -0.391 8.380 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.925 0.392 8.158 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.174 0.022 6.618 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.641 -1.748 7.644 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.928 -0.361 8.475 1.00 0.62 H new ATOM 866 N PHE A 53 -0.701 -2.533 9.747 1.00 0.81 N ATOM 867 CA PHE A 53 -1.195 -3.048 11.028 1.00 0.82 C ATOM 868 C PHE A 53 -1.403 -1.931 12.053 1.00 0.84 C ATOM 869 O PHE A 53 -1.167 -2.121 13.246 1.00 1.20 O ATOM 870 CB PHE A 53 -0.224 -4.090 11.586 1.00 0.96 C ATOM 871 CG PHE A 53 -0.801 -5.475 11.644 1.00 1.15 C ATOM 872 CD1 PHE A 53 -2.111 -5.676 12.044 1.00 1.32 C ATOM 873 CD2 PHE A 53 -0.032 -6.575 11.298 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.646 -6.949 12.098 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.562 -7.851 11.351 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.866 -8.040 11.749 1.00 1.96 C ATOM 0 H PHE A 53 -1.097 -2.999 8.930 1.00 0.81 H new ATOM 0 HA PHE A 53 -2.164 -3.512 10.841 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.675 -4.105 10.969 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.082 -3.790 12.588 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.722 -4.828 12.317 1.00 1.32 H new ATOM 0 HD2 PHE A 53 0.992 -6.434 10.984 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.669 -7.093 12.411 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.048 -8.700 11.080 1.00 2.08 H new ATOM 0 HZ PHE A 53 -2.280 -9.037 11.789 1.00 1.96 H new ATOM 886 N SER A 54 -1.843 -0.769 11.581 1.00 0.79 N ATOM 887 CA SER A 54 -2.076 0.370 12.463 1.00 0.89 C ATOM 888 C SER A 54 -3.238 1.227 11.971 1.00 0.95 C ATOM 889 O SER A 54 -3.304 2.422 12.260 1.00 1.89 O ATOM 890 CB SER A 54 -0.812 1.225 12.572 1.00 1.00 C ATOM 891 OG SER A 54 -0.699 1.806 13.859 1.00 1.71 O ATOM 0 H SER A 54 -2.045 -0.591 10.597 1.00 0.79 H new ATOM 0 HA SER A 54 -2.334 -0.021 13.447 1.00 0.89 H new ATOM 0 HB2 SER A 54 0.065 0.611 12.369 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.834 2.010 11.816 1.00 1.00 H new ATOM 0 HG SER A 54 0.118 2.346 13.904 1.00 1.71 H new ATOM 897 N ASN A 55 -4.157 0.612 11.234 1.00 0.75 N ATOM 898 CA ASN A 55 -5.317 1.325 10.711 1.00 0.69 C ATOM 899 C ASN A 55 -4.896 2.439 9.755 1.00 0.66 C ATOM 900 O ASN A 55 -4.020 3.245 10.070 1.00 1.05 O ATOM 901 CB ASN A 55 -6.140 1.909 11.863 1.00 0.84 C ATOM 902 CG ASN A 55 -7.626 1.648 11.704 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.229 0.925 12.497 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.222 2.241 10.677 1.00 0.83 N ATOM 0 H ASN A 55 -4.121 -0.377 10.986 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.928 0.613 10.156 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.797 1.480 12.805 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -5.967 2.984 11.921 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.221 2.106 10.519 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.681 2.832 10.045 1.00 0.83 H new ATOM 911 N ILE A 56 -5.531 2.476 8.587 1.00 0.40 N ATOM 912 CA ILE A 56 -5.233 3.490 7.580 1.00 0.33 C ATOM 913 C ILE A 56 -6.519 4.154 7.087 1.00 0.31 C ATOM 914 O ILE A 56 -7.081 3.760 6.065 1.00 0.53 O ATOM 915 CB ILE A 56 -4.479 2.884 6.380 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.206 2.181 6.852 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.144 3.961 5.361 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.386 1.591 5.726 1.00 0.69 C ATOM 0 H ILE A 56 -6.257 1.814 8.314 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.596 4.239 8.051 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.125 2.148 5.902 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.591 2.893 7.403 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.476 1.387 7.548 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.612 3.514 4.521 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.064 4.422 5.003 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.515 4.720 5.827 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.499 1.109 6.136 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.983 0.855 5.188 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.084 2.384 5.041 1.00 0.69 H new ATOM 930 N LEU A 57 -6.981 5.156 7.830 1.00 0.44 N ATOM 931 CA LEU A 57 -8.208 5.872 7.486 1.00 0.45 C ATOM 932 C LEU A 57 -8.048 6.703 6.212 1.00 0.42 C ATOM 933 O LEU A 57 -8.932 6.709 5.355 1.00 0.60 O ATOM 934 CB LEU A 57 -8.630 6.776 8.647 1.00 0.48 C ATOM 935 CG LEU A 57 -10.025 7.396 8.521 1.00 0.85 C ATOM 936 CD1 LEU A 57 -11.031 6.365 8.031 1.00 0.72 C ATOM 937 CD2 LEU A 57 -10.469 7.984 9.853 1.00 1.60 C ATOM 0 H LEU A 57 -6.523 5.492 8.677 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.981 5.127 7.300 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.590 6.197 9.570 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.900 7.580 8.743 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.976 8.200 7.787 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -12.015 6.827 7.949 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.723 5.991 7.054 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.077 5.537 8.738 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -11.462 8.420 9.745 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.498 7.197 10.606 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.765 8.757 10.162 1.00 1.60 H new ATOM 949 N GLU A 58 -6.925 7.405 6.092 1.00 0.39 N ATOM 950 CA GLU A 58 -6.666 8.233 4.926 1.00 0.43 C ATOM 951 C GLU A 58 -5.853 7.471 3.890 1.00 0.51 C ATOM 952 O GLU A 58 -5.122 6.539 4.223 1.00 1.09 O ATOM 953 CB GLU A 58 -5.927 9.506 5.336 1.00 0.44 C ATOM 954 CG GLU A 58 -4.517 9.248 5.837 1.00 0.44 C ATOM 955 CD GLU A 58 -4.270 9.832 7.215 1.00 0.75 C ATOM 956 OE1 GLU A 58 -4.710 9.216 8.208 1.00 1.54 O ATOM 957 OE2 GLU A 58 -3.635 10.904 7.299 1.00 1.29 O ATOM 0 H GLU A 58 -6.181 7.415 6.790 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.624 8.504 4.482 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.884 10.183 4.483 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.495 10.012 6.116 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.336 8.173 5.864 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.802 9.674 5.133 1.00 0.44 H new ATOM 964 N ASN A 59 -5.985 7.874 2.634 1.00 0.31 N ATOM 965 CA ASN A 59 -5.260 7.226 1.549 1.00 0.28 C ATOM 966 C ASN A 59 -3.772 7.579 1.574 1.00 0.28 C ATOM 967 O ASN A 59 -2.989 7.046 0.788 1.00 0.49 O ATOM 968 CB ASN A 59 -5.860 7.605 0.195 1.00 0.32 C ATOM 969 CG ASN A 59 -7.372 7.718 0.238 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.010 7.308 1.209 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.953 8.276 -0.817 1.00 0.91 N ATOM 0 H ASN A 59 -6.586 8.645 2.341 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.356 6.150 1.694 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.438 8.555 -0.132 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.576 6.858 -0.546 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.967 8.379 -0.845 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.385 8.602 -1.599 1.00 0.91 H new ATOM 978 N GLU A 60 -3.378 8.469 2.485 1.00 0.29 N ATOM 979 CA GLU A 60 -1.982 8.868 2.607 1.00 0.29 C ATOM 980 C GLU A 60 -1.327 8.058 3.710 1.00 0.27 C ATOM 981 O GLU A 60 -1.473 8.371 4.891 1.00 0.35 O ATOM 982 CB GLU A 60 -1.876 10.362 2.913 1.00 0.34 C ATOM 983 CG GLU A 60 -0.448 10.880 2.925 1.00 0.49 C ATOM 984 CD GLU A 60 -0.347 12.319 2.463 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.420 12.555 1.238 1.00 2.05 O ATOM 986 OE2 GLU A 60 -0.197 13.211 3.324 1.00 1.91 O ATOM 0 H GLU A 60 -4.007 8.925 3.146 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.471 8.678 1.663 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.449 10.918 2.171 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.333 10.559 3.882 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.044 10.797 3.934 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.168 10.252 2.282 1.00 0.49 H new ATOM 993 N PHE A 61 -0.622 7.001 3.327 1.00 0.24 N ATOM 994 CA PHE A 61 0.022 6.145 4.310 1.00 0.24 C ATOM 995 C PHE A 61 1.499 5.925 4.001 1.00 0.24 C ATOM 996 O PHE A 61 1.969 6.184 2.893 1.00 0.25 O ATOM 997 CB PHE A 61 -0.712 4.802 4.377 1.00 0.28 C ATOM 998 CG PHE A 61 0.003 3.769 5.197 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.120 3.750 6.576 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.808 2.826 4.584 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.550 2.804 7.328 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.477 1.882 5.328 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.349 1.868 6.702 1.00 0.48 C ATOM 0 H PHE A 61 -0.484 6.720 2.356 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.032 6.645 5.277 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.706 4.961 4.794 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.848 4.421 3.365 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.745 4.481 7.068 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.913 2.831 3.509 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.449 2.797 8.403 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.103 1.152 4.837 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.873 1.126 7.287 1.00 0.48 H new ATOM 1013 N THR A 62 2.218 5.432 5.006 1.00 0.25 N ATOM 1014 CA THR A 62 3.636 5.154 4.881 1.00 0.27 C ATOM 1015 C THR A 62 3.940 3.716 5.269 1.00 0.29 C ATOM 1016 O THR A 62 3.776 3.327 6.425 1.00 0.35 O ATOM 1017 CB THR A 62 4.446 6.098 5.767 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.939 7.419 5.696 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.917 6.146 5.409 1.00 0.37 C ATOM 0 H THR A 62 1.831 5.216 5.925 1.00 0.25 H new ATOM 0 HA THR A 62 3.916 5.308 3.839 1.00 0.27 H new ATOM 0 HB THR A 62 4.350 5.695 6.775 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.472 8.005 6.273 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.432 6.836 6.078 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.349 5.151 5.511 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.030 6.486 4.380 1.00 0.37 H new ATOM 1027 N VAL A 63 4.391 2.933 4.301 1.00 0.31 N ATOM 1028 CA VAL A 63 4.725 1.544 4.549 1.00 0.36 C ATOM 1029 C VAL A 63 6.072 1.428 5.241 1.00 0.38 C ATOM 1030 O VAL A 63 7.116 1.672 4.637 1.00 0.50 O ATOM 1031 CB VAL A 63 4.766 0.722 3.250 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.854 -0.761 3.568 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.552 1.025 2.386 1.00 0.58 C ATOM 0 H VAL A 63 4.533 3.238 3.338 1.00 0.31 H new ATOM 0 HA VAL A 63 3.940 1.145 5.192 1.00 0.36 H new ATOM 0 HB VAL A 63 5.656 1.003 2.687 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.882 -1.331 2.639 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.760 -0.957 4.142 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.983 -1.060 4.151 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.599 0.434 1.472 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.644 0.774 2.934 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.541 2.085 2.132 1.00 0.58 H new ATOM 1043 N SER A 64 6.042 1.052 6.511 1.00 0.49 N ATOM 1044 CA SER A 64 7.263 0.902 7.283 1.00 0.55 C ATOM 1045 C SER A 64 7.545 -0.562 7.580 1.00 0.63 C ATOM 1046 O SER A 64 6.630 -1.381 7.669 1.00 0.99 O ATOM 1047 CB SER A 64 7.179 1.688 8.587 1.00 0.63 C ATOM 1048 OG SER A 64 6.295 2.789 8.466 1.00 1.33 O ATOM 0 H SER A 64 5.186 0.846 7.027 1.00 0.49 H new ATOM 0 HA SER A 64 8.083 1.299 6.684 1.00 0.55 H new ATOM 0 HB2 SER A 64 6.840 1.032 9.389 1.00 0.63 H new ATOM 0 HB3 SER A 64 8.171 2.044 8.865 1.00 0.63 H new ATOM 0 HG SER A 64 6.259 3.274 9.317 1.00 1.33 H new ATOM 1054 N GLY A 65 8.823 -0.880 7.727 1.00 0.71 N ATOM 1055 CA GLY A 65 9.226 -2.241 8.008 1.00 0.78 C ATOM 1056 C GLY A 65 10.159 -2.798 6.949 1.00 0.72 C ATOM 1057 O GLY A 65 10.527 -3.972 6.995 1.00 0.90 O ATOM 0 H GLY A 65 9.592 -0.214 7.656 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.720 -2.278 8.979 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.340 -2.873 8.077 1.00 0.78 H new ATOM 1061 N LEU A 66 10.545 -1.957 5.989 1.00 0.64 N ATOM 1062 CA LEU A 66 11.437 -2.384 4.922 1.00 0.65 C ATOM 1063 C LEU A 66 12.834 -2.666 5.461 1.00 0.59 C ATOM 1064 O LEU A 66 13.039 -2.757 6.671 1.00 0.65 O ATOM 1065 CB LEU A 66 11.506 -1.317 3.821 1.00 0.74 C ATOM 1066 CG LEU A 66 10.161 -0.742 3.334 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.980 -1.631 3.712 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.962 0.667 3.870 1.00 0.89 C ATOM 0 H LEU A 66 10.253 -0.981 5.932 1.00 0.64 H new ATOM 0 HA LEU A 66 11.037 -3.305 4.498 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.118 -0.492 4.184 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.024 -1.745 2.963 1.00 0.74 H new ATOM 0 HG LEU A 66 10.200 -0.708 2.245 1.00 0.89 H new ATOM 0 HD11 LEU A 66 8.056 -1.183 3.347 1.00 1.47 H new ATOM 0 HD12 LEU A 66 9.108 -2.616 3.263 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.931 -1.730 4.796 1.00 1.47 H new ATOM 0 HD21 LEU A 66 9.008 1.059 3.517 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.965 0.646 4.960 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.770 1.308 3.518 1.00 0.89 H new ATOM 1080 N THR A 67 13.791 -2.805 4.552 1.00 0.65 N ATOM 1081 CA THR A 67 15.169 -3.081 4.931 1.00 0.69 C ATOM 1082 C THR A 67 16.139 -2.496 3.908 1.00 0.72 C ATOM 1083 O THR A 67 15.902 -2.565 2.702 1.00 1.06 O ATOM 1084 CB THR A 67 15.384 -4.589 5.058 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.287 -5.196 5.717 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.637 -4.956 5.822 1.00 0.99 C ATOM 0 H THR A 67 13.637 -2.731 3.546 1.00 0.65 H new ATOM 0 HA THR A 67 15.363 -2.611 5.895 1.00 0.69 H new ATOM 0 HB THR A 67 15.484 -4.953 4.035 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.649 -5.529 5.052 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.727 -6.041 5.874 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.508 -4.544 5.312 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.580 -4.548 6.831 1.00 0.99 H new ATOM 1094 N GLU A 68 17.232 -1.921 4.399 1.00 0.66 N ATOM 1095 CA GLU A 68 18.238 -1.322 3.529 1.00 0.67 C ATOM 1096 C GLU A 68 18.804 -2.351 2.556 1.00 0.60 C ATOM 1097 O GLU A 68 19.206 -3.445 2.954 1.00 0.69 O ATOM 1098 CB GLU A 68 19.372 -0.722 4.365 1.00 0.76 C ATOM 1099 CG GLU A 68 19.370 0.798 4.400 1.00 0.96 C ATOM 1100 CD GLU A 68 18.731 1.405 3.166 1.00 1.32 C ATOM 1101 OE1 GLU A 68 18.695 0.725 2.120 1.00 1.89 O ATOM 1102 OE2 GLU A 68 18.267 2.562 3.246 1.00 1.91 O ATOM 0 H GLU A 68 17.444 -1.857 5.395 1.00 0.66 H new ATOM 0 HA GLU A 68 17.757 -0.531 2.954 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.298 -1.100 5.385 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.326 -1.066 3.966 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.835 1.137 5.287 1.00 0.96 H new ATOM 0 HG3 GLU A 68 20.395 1.158 4.489 1.00 0.96 H new ATOM 1109 N ASP A 69 18.836 -1.990 1.275 1.00 0.52 N ATOM 1110 CA ASP A 69 19.356 -2.873 0.233 1.00 0.49 C ATOM 1111 C ASP A 69 18.358 -3.974 -0.108 1.00 0.44 C ATOM 1112 O ASP A 69 18.710 -5.153 -0.151 1.00 0.54 O ATOM 1113 CB ASP A 69 20.688 -3.493 0.668 1.00 0.59 C ATOM 1114 CG ASP A 69 21.622 -3.738 -0.500 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.194 -4.387 -1.478 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.783 -3.281 -0.438 1.00 1.87 O ATOM 0 H ASP A 69 18.506 -1.088 0.932 1.00 0.52 H new ATOM 0 HA ASP A 69 19.519 -2.270 -0.660 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.175 -2.833 1.386 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.496 -4.436 1.180 1.00 0.59 H new ATOM 1121 N ALA A 70 17.113 -3.582 -0.354 1.00 0.40 N ATOM 1122 CA ALA A 70 16.065 -4.533 -0.695 1.00 0.40 C ATOM 1123 C ALA A 70 14.898 -3.846 -1.392 1.00 0.35 C ATOM 1124 O ALA A 70 14.349 -2.867 -0.886 1.00 0.36 O ATOM 1125 CB ALA A 70 15.571 -5.250 0.550 1.00 0.49 C ATOM 0 H ALA A 70 16.806 -2.610 -0.323 1.00 0.40 H new ATOM 0 HA ALA A 70 16.493 -5.262 -1.382 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.788 -5.957 0.276 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.399 -5.787 1.013 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.171 -4.521 1.255 1.00 0.49 H new ATOM 1131 N ALA A 71 14.517 -4.369 -2.551 1.00 0.33 N ATOM 1132 CA ALA A 71 13.406 -3.810 -3.307 1.00 0.30 C ATOM 1133 C ALA A 71 12.085 -4.193 -2.657 1.00 0.27 C ATOM 1134 O ALA A 71 11.887 -5.345 -2.270 1.00 0.36 O ATOM 1135 CB ALA A 71 13.460 -4.279 -4.751 1.00 0.34 C ATOM 0 H ALA A 71 14.961 -5.178 -2.986 1.00 0.33 H new ATOM 0 HA ALA A 71 13.486 -2.723 -3.303 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.623 -3.853 -5.304 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.397 -3.955 -5.204 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.399 -5.367 -4.783 1.00 0.34 H new ATOM 1141 N TYR A 72 11.188 -3.223 -2.514 1.00 0.24 N ATOM 1142 CA TYR A 72 9.902 -3.483 -1.879 1.00 0.24 C ATOM 1143 C TYR A 72 8.727 -2.905 -2.664 1.00 0.21 C ATOM 1144 O TYR A 72 8.686 -1.708 -2.951 1.00 0.23 O ATOM 1145 CB TYR A 72 9.904 -2.897 -0.467 1.00 0.30 C ATOM 1146 CG TYR A 72 10.677 -3.727 0.530 1.00 0.31 C ATOM 1147 CD1 TYR A 72 10.097 -4.843 1.118 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.983 -3.399 0.885 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.788 -5.610 2.032 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.683 -4.164 1.801 1.00 0.42 C ATOM 1151 CZ TYR A 72 12.082 -5.268 2.371 1.00 0.46 C ATOM 1152 OH TYR A 72 12.776 -6.031 3.283 1.00 0.56 O ATOM 0 H TYR A 72 11.325 -2.261 -2.825 1.00 0.24 H new ATOM 0 HA TYR A 72 9.771 -4.565 -1.849 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.329 -1.894 -0.499 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.875 -2.796 -0.123 1.00 0.30 H new ATOM 0 HD1 TYR A 72 9.086 -5.115 0.855 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.456 -2.536 0.439 1.00 0.36 H new ATOM 0 HE1 TYR A 72 10.320 -6.474 2.480 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.695 -3.898 2.069 1.00 0.42 H new ATOM 0 HH TYR A 72 13.734 -5.994 3.079 1.00 0.56 H new ATOM 1162 N GLU A 73 7.762 -3.766 -2.989 1.00 0.21 N ATOM 1163 CA GLU A 73 6.568 -3.344 -3.715 1.00 0.21 C ATOM 1164 C GLU A 73 5.421 -3.170 -2.727 1.00 0.23 C ATOM 1165 O GLU A 73 5.391 -3.843 -1.697 1.00 0.32 O ATOM 1166 CB GLU A 73 6.199 -4.374 -4.783 1.00 0.25 C ATOM 1167 CG GLU A 73 6.105 -3.790 -6.183 1.00 0.65 C ATOM 1168 CD GLU A 73 6.513 -4.782 -7.253 1.00 0.68 C ATOM 1169 OE1 GLU A 73 6.768 -5.955 -6.909 1.00 1.50 O ATOM 1170 OE2 GLU A 73 6.578 -4.386 -8.436 1.00 1.32 O ATOM 0 H GLU A 73 7.786 -4.760 -2.760 1.00 0.21 H new ATOM 0 HA GLU A 73 6.765 -2.396 -4.215 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.943 -5.171 -4.780 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.243 -4.829 -4.523 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.083 -3.461 -6.368 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.741 -2.907 -6.249 1.00 0.65 H new ATOM 1177 N PHE A 74 4.482 -2.265 -3.006 1.00 0.22 N ATOM 1178 CA PHE A 74 3.375 -2.062 -2.056 1.00 0.28 C ATOM 1179 C PHE A 74 1.997 -1.983 -2.710 1.00 0.25 C ATOM 1180 O PHE A 74 1.706 -1.073 -3.481 1.00 0.30 O ATOM 1181 CB PHE A 74 3.615 -0.807 -1.209 1.00 0.39 C ATOM 1182 CG PHE A 74 5.067 -0.517 -0.959 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.772 -1.234 -0.011 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.722 0.477 -1.671 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.106 -0.970 0.224 1.00 0.49 C ATOM 1186 CE2 PHE A 74 7.057 0.747 -1.439 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.754 0.020 -0.507 1.00 0.53 C ATOM 0 H PHE A 74 4.457 -1.681 -3.842 1.00 0.22 H new ATOM 0 HA PHE A 74 3.368 -2.950 -1.425 1.00 0.28 H new ATOM 0 HB2 PHE A 74 3.163 0.050 -1.709 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.106 -0.922 -0.252 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.274 -2.009 0.552 1.00 0.42 H new ATOM 0 HD2 PHE A 74 5.183 1.046 -2.414 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.645 -1.530 0.973 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.553 1.531 -1.992 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.803 0.216 -0.342 1.00 0.53 H new ATOM 1197 N ARG A 75 1.145 -2.947 -2.355 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.229 -3.026 -2.855 1.00 0.34 C ATOM 1199 C ARG A 75 -1.197 -2.751 -1.717 1.00 0.31 C ATOM 1200 O ARG A 75 -0.826 -2.887 -0.557 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.498 -4.418 -3.429 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.697 -4.486 -4.357 1.00 0.94 C ATOM 1203 CD ARG A 75 -2.161 -5.918 -4.562 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.305 -6.656 -5.495 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.582 -6.853 -6.788 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.694 -6.367 -7.332 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -0.737 -7.539 -7.545 1.00 1.87 N ATOM 0 H ARG A 75 1.390 -3.698 -1.710 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.367 -2.284 -3.641 1.00 0.34 H new ATOM 0 HB2 ARG A 75 0.387 -4.753 -3.971 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.650 -5.116 -2.605 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -2.513 -3.894 -3.943 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -1.439 -4.045 -5.320 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -2.175 -6.433 -3.602 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -3.184 -5.915 -4.937 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.436 -7.047 -5.132 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -3.351 -5.835 -6.761 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.890 -6.526 -8.320 1.00 2.11 H new ATOM 0 HH21 ARG A 75 0.121 -7.914 -7.140 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -0.945 -7.691 -8.532 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.435 -2.369 -2.023 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.390 -2.102 -0.952 1.00 0.39 C ATOM 1223 C VAL A 76 -4.779 -2.684 -1.236 1.00 0.31 C ATOM 1224 O VAL A 76 -5.252 -2.716 -2.370 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.465 -0.578 -0.577 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.978 0.311 -1.711 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.859 -0.140 -0.124 1.00 0.47 C ATOM 0 H VAL A 76 -2.792 -2.241 -2.970 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.005 -2.626 -0.077 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.794 -0.456 0.273 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -3.047 1.356 -1.409 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.941 0.068 -1.944 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.596 0.147 -2.593 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.845 0.922 0.121 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.575 -0.318 -0.926 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.152 -0.711 0.757 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.406 -3.129 -0.153 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.726 -3.704 -0.164 1.00 0.31 C ATOM 1239 C ILE A 77 -7.542 -3.010 0.922 1.00 0.30 C ATOM 1240 O ILE A 77 -6.992 -2.641 1.960 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.648 -5.216 0.113 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.849 -5.911 -0.984 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -8.029 -5.814 0.215 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.140 -7.158 -0.518 1.00 0.42 C ATOM 0 H ILE A 77 -4.990 -3.094 0.778 1.00 0.33 H new ATOM 0 HA ILE A 77 -7.194 -3.565 -1.138 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.141 -5.365 1.066 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.521 -6.170 -1.803 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -5.113 -5.213 -1.384 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.949 -6.883 0.411 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.573 -5.336 1.029 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.564 -5.656 -0.721 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.593 -7.598 -1.351 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.443 -6.903 0.280 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.872 -7.875 -0.145 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.833 -2.806 0.702 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.639 -2.124 1.714 1.00 0.30 C ATOM 1258 C ALA A 78 -11.062 -2.646 1.774 1.00 0.34 C ATOM 1259 O ALA A 78 -11.737 -2.757 0.757 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.640 -0.625 1.457 1.00 0.39 C ATOM 0 H ALA A 78 -9.336 -3.091 -0.139 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.182 -2.330 2.682 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.243 -0.126 2.216 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.618 -0.248 1.500 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -10.060 -0.425 0.471 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.520 -2.959 2.980 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.872 -3.463 3.163 1.00 0.43 C ATOM 1268 C LYS A 79 -13.849 -2.334 3.440 1.00 0.59 C ATOM 1269 O LYS A 79 -13.674 -1.553 4.375 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.925 -4.493 4.290 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.546 -3.929 5.650 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.680 -4.075 6.650 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.925 -5.532 7.003 1.00 1.71 C ATOM 1274 NZ LYS A 79 -14.874 -5.675 8.142 1.00 1.98 N ATOM 0 H LYS A 79 -10.978 -2.873 3.840 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.166 -3.950 2.233 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -13.932 -4.907 4.346 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -12.255 -5.318 4.049 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.661 -4.444 6.024 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -12.283 -2.876 5.548 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.443 -3.515 7.555 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.590 -3.642 6.236 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.321 -6.055 6.132 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.978 -6.008 7.257 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -15.015 -6.684 8.352 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -14.485 -5.198 8.980 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -15.786 -5.243 7.890 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.880 -2.261 2.612 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.902 -1.236 2.743 1.00 0.70 C ATOM 1290 C ASN A 80 -16.699 -1.420 4.034 1.00 0.87 C ATOM 1291 O ASN A 80 -16.386 -2.283 4.855 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.842 -1.278 1.540 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.255 -2.692 1.181 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.418 -3.525 0.833 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.548 -2.972 1.267 1.00 2.05 N ATOM 0 H ASN A 80 -15.031 -2.906 1.836 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.408 -0.265 2.781 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.731 -0.686 1.756 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.352 -0.816 0.683 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -18.883 -3.908 1.040 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.208 -2.251 1.560 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.728 -0.600 4.200 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.583 -0.649 5.381 1.00 0.82 C ATOM 1304 C ALA A 81 -19.372 -1.956 5.465 1.00 0.88 C ATOM 1305 O ALA A 81 -19.763 -2.383 6.553 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.542 0.533 5.371 1.00 0.83 C ATOM 0 H ALA A 81 -17.994 0.116 3.523 1.00 0.76 H new ATOM 0 HA ALA A 81 -17.938 -0.598 6.258 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.179 0.492 6.255 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.973 1.463 5.376 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.162 0.491 4.475 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.617 -2.581 4.317 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.377 -3.830 4.273 1.00 0.90 C ATOM 1314 C ALA A 82 -19.486 -5.062 4.444 1.00 0.88 C ATOM 1315 O ALA A 82 -19.974 -6.192 4.406 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.151 -3.925 2.969 1.00 0.94 C ATOM 0 H ALA A 82 -19.302 -2.246 3.407 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.072 -3.814 5.113 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.713 -4.859 2.947 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.841 -3.084 2.893 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.455 -3.900 2.130 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.188 -4.852 4.635 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.280 -5.973 4.806 1.00 0.86 C ATOM 1324 C GLY A 83 -16.927 -6.660 3.495 1.00 0.78 C ATOM 1325 O GLY A 83 -16.186 -7.645 3.488 1.00 0.93 O ATOM 0 H GLY A 83 -17.750 -3.932 4.674 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.365 -5.622 5.283 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.733 -6.700 5.480 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.447 -6.142 2.384 1.00 0.72 N ATOM 1330 CA ALA A 84 -17.166 -6.715 1.073 1.00 0.78 C ATOM 1331 C ALA A 84 -15.779 -6.297 0.621 1.00 0.76 C ATOM 1332 O ALA A 84 -15.622 -5.518 -0.316 1.00 1.38 O ATOM 1333 CB ALA A 84 -18.215 -6.278 0.066 1.00 0.92 C ATOM 0 H ALA A 84 -18.063 -5.329 2.367 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.201 -7.802 1.143 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.990 -6.715 -0.907 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -19.198 -6.614 0.396 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -18.211 -5.191 -0.015 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.783 -6.818 1.325 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.374 -6.523 1.072 1.00 0.40 C ATOM 1341 C ILE A 85 -13.052 -6.143 -0.367 1.00 0.38 C ATOM 1342 O ILE A 85 -13.245 -6.934 -1.287 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.465 -7.706 1.490 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.030 -7.218 1.699 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.503 -8.827 0.453 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.561 -7.321 3.134 1.00 0.79 C ATOM 0 H ILE A 85 -14.930 -7.466 2.099 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.171 -5.646 1.687 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.843 -8.109 2.430 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.361 -7.799 1.064 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.957 -6.180 1.375 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.855 -9.642 0.775 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.524 -9.194 0.351 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.156 -8.446 -0.508 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.536 -6.958 3.209 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.207 -6.718 3.772 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.602 -8.361 3.456 1.00 0.79 H new ATOM 1358 N SER A 86 -12.516 -4.938 -0.540 1.00 0.39 N ATOM 1359 CA SER A 86 -12.115 -4.478 -1.855 1.00 0.45 C ATOM 1360 C SER A 86 -10.822 -5.205 -2.191 1.00 0.44 C ATOM 1361 O SER A 86 -9.776 -4.911 -1.597 1.00 0.43 O ATOM 1362 CB SER A 86 -11.900 -2.964 -1.877 1.00 0.54 C ATOM 1363 OG SER A 86 -10.603 -2.623 -1.414 1.00 0.59 O ATOM 0 H SER A 86 -12.352 -4.270 0.213 1.00 0.39 H new ATOM 0 HA SER A 86 -12.894 -4.690 -2.588 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.037 -2.589 -2.891 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.651 -2.478 -1.254 1.00 0.54 H new ATOM 0 HG SER A 86 -10.677 -2.098 -0.590 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.877 -6.187 -3.112 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.713 -6.993 -3.485 1.00 0.61 C ATOM 1371 C PRO A 87 -8.467 -6.185 -3.837 1.00 0.54 C ATOM 1372 O PRO A 87 -8.514 -4.964 -3.987 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.199 -7.814 -4.685 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.484 -7.186 -5.101 1.00 0.74 C ATOM 1375 CD PRO A 87 -12.075 -6.623 -3.847 1.00 0.59 C ATOM 0 HA PRO A 87 -9.384 -7.599 -2.641 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.471 -7.793 -5.496 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.343 -8.860 -4.413 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.318 -6.404 -5.842 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -12.151 -7.919 -5.555 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.752 -5.794 -4.052 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.644 -7.370 -3.293 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.322 -6.890 -3.961 1.00 0.55 N ATOM 1384 CA PRO A 88 -6.027 -6.302 -4.281 1.00 0.56 C ATOM 1385 C PRO A 88 -6.108 -5.064 -5.161 1.00 0.48 C ATOM 1386 O PRO A 88 -6.839 -5.033 -6.151 1.00 0.68 O ATOM 1387 CB PRO A 88 -5.326 -7.430 -5.036 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.944 -8.702 -4.543 1.00 0.76 C ATOM 1389 CD PRO A 88 -7.201 -8.346 -3.788 1.00 0.72 C ATOM 0 HA PRO A 88 -5.518 -5.956 -3.381 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -5.461 -7.322 -6.112 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.253 -7.418 -4.846 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -6.175 -9.362 -5.379 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.249 -9.238 -3.896 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -8.069 -8.869 -4.190 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.124 -8.618 -2.735 1.00 0.72 H new ATOM 1397 N SER A 89 -5.327 -4.051 -4.800 1.00 0.43 N ATOM 1398 CA SER A 89 -5.278 -2.814 -5.560 1.00 0.42 C ATOM 1399 C SER A 89 -3.851 -2.543 -6.022 1.00 0.35 C ATOM 1400 O SER A 89 -3.004 -2.117 -5.227 1.00 0.51 O ATOM 1401 CB SER A 89 -5.808 -1.639 -4.737 1.00 0.56 C ATOM 1402 OG SER A 89 -4.768 -0.997 -4.020 1.00 1.28 O ATOM 0 H SER A 89 -4.718 -4.066 -3.982 1.00 0.43 H new ATOM 0 HA SER A 89 -5.919 -2.923 -6.435 1.00 0.42 H new ATOM 0 HB2 SER A 89 -6.294 -0.920 -5.397 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.567 -1.994 -4.040 1.00 0.56 H new ATOM 0 HG SER A 89 -4.466 -1.578 -3.291 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.619 -2.815 -7.317 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.317 -2.644 -8.001 1.00 0.37 C ATOM 1410 C GLU A 90 -1.214 -2.071 -7.102 1.00 0.34 C ATOM 1411 O GLU A 90 -1.353 -0.970 -6.574 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.496 -1.743 -9.224 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.226 -2.453 -10.541 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.339 -1.644 -11.468 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -0.100 -1.754 -11.347 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.882 -0.903 -12.313 1.00 1.76 O ATOM 0 H GLU A 90 -4.347 -3.169 -7.937 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.990 -3.642 -8.294 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.513 -1.352 -9.232 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.826 -0.887 -9.137 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -1.754 -3.415 -10.341 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.173 -2.660 -11.039 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.101 -2.809 -6.909 1.00 0.30 N ATOM 1424 CA PRO A 91 1.002 -2.352 -6.065 1.00 0.29 C ATOM 1425 C PRO A 91 1.885 -1.301 -6.721 1.00 0.31 C ATOM 1426 O PRO A 91 1.871 -1.120 -7.939 1.00 0.55 O ATOM 1427 CB PRO A 91 1.828 -3.618 -5.799 1.00 0.36 C ATOM 1428 CG PRO A 91 1.127 -4.745 -6.488 1.00 0.36 C ATOM 1429 CD PRO A 91 0.171 -4.133 -7.478 1.00 0.39 C ATOM 0 HA PRO A 91 0.611 -1.872 -5.168 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.843 -3.504 -6.179 1.00 0.36 H new ATOM 0 HB3 PRO A 91 1.908 -3.809 -4.729 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.843 -5.392 -6.994 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.592 -5.364 -5.768 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.613 -4.061 -8.472 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.740 -4.724 -7.576 1.00 0.39 H new ATOM 1437 N SER A 92 2.668 -0.624 -5.886 1.00 0.27 N ATOM 1438 CA SER A 92 3.588 0.401 -6.344 1.00 0.31 C ATOM 1439 C SER A 92 4.938 -0.228 -6.638 1.00 0.27 C ATOM 1440 O SER A 92 5.337 -1.188 -5.967 1.00 0.24 O ATOM 1441 CB SER A 92 3.754 1.494 -5.287 1.00 0.39 C ATOM 1442 OG SER A 92 5.007 2.145 -5.418 1.00 1.23 O ATOM 0 H SER A 92 2.680 -0.773 -4.877 1.00 0.27 H new ATOM 0 HA SER A 92 3.183 0.853 -7.249 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.950 2.223 -5.384 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.670 1.058 -4.292 1.00 0.39 H new ATOM 0 HG SER A 92 5.603 1.856 -4.696 1.00 1.23 H new ATOM 1448 N ASP A 93 5.632 0.315 -7.639 1.00 0.33 N ATOM 1449 CA ASP A 93 6.946 -0.183 -8.042 1.00 0.36 C ATOM 1450 C ASP A 93 7.786 -0.588 -6.837 1.00 0.32 C ATOM 1451 O ASP A 93 7.555 -0.124 -5.720 1.00 0.56 O ATOM 1452 CB ASP A 93 7.683 0.878 -8.860 1.00 0.45 C ATOM 1453 CG ASP A 93 6.890 1.322 -10.072 1.00 0.89 C ATOM 1454 OD1 ASP A 93 5.845 1.983 -9.888 1.00 1.55 O ATOM 1455 OD2 ASP A 93 7.312 1.009 -11.204 1.00 1.63 O ATOM 0 H ASP A 93 5.301 1.107 -8.190 1.00 0.33 H new ATOM 0 HA ASP A 93 6.791 -1.070 -8.656 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.891 1.741 -8.228 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.645 0.481 -9.183 1.00 0.45 H new ATOM 1460 N ALA A 94 8.753 -1.462 -7.070 1.00 0.33 N ATOM 1461 CA ALA A 94 9.621 -1.937 -6.006 1.00 0.28 C ATOM 1462 C ALA A 94 10.824 -1.019 -5.813 1.00 0.29 C ATOM 1463 O ALA A 94 11.612 -0.811 -6.736 1.00 0.41 O ATOM 1464 CB ALA A 94 10.082 -3.350 -6.311 1.00 0.34 C ATOM 0 H ALA A 94 8.956 -1.857 -7.988 1.00 0.33 H new ATOM 0 HA ALA A 94 9.051 -1.934 -5.077 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.733 -3.701 -5.510 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.215 -4.007 -6.389 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.630 -3.359 -7.253 1.00 0.34 H new ATOM 1470 N ILE A 95 10.959 -0.475 -4.608 1.00 0.25 N ATOM 1471 CA ILE A 95 12.065 0.418 -4.291 1.00 0.28 C ATOM 1472 C ILE A 95 13.182 -0.328 -3.562 1.00 0.26 C ATOM 1473 O ILE A 95 12.994 -0.813 -2.446 1.00 0.25 O ATOM 1474 CB ILE A 95 11.580 1.602 -3.433 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.521 2.388 -4.203 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.744 2.503 -3.041 1.00 0.41 C ATOM 1477 CD1 ILE A 95 9.104 1.991 -3.861 1.00 0.44 C ATOM 0 H ILE A 95 10.314 -0.638 -3.834 1.00 0.25 H new ATOM 0 HA ILE A 95 12.461 0.801 -5.232 1.00 0.28 H new ATOM 0 HB ILE A 95 11.139 1.216 -2.514 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.651 3.451 -4.000 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.681 2.246 -5.272 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.375 3.331 -2.436 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.471 1.929 -2.466 1.00 0.41 H new ATOM 0 HG23 ILE A 95 13.220 2.894 -3.940 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.407 2.591 -4.446 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.956 0.936 -4.091 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.925 2.160 -2.799 1.00 0.44 H new ATOM 1489 N THR A 96 14.339 -0.420 -4.213 1.00 0.29 N ATOM 1490 CA THR A 96 15.500 -1.111 -3.651 1.00 0.32 C ATOM 1491 C THR A 96 15.773 -0.690 -2.211 1.00 0.32 C ATOM 1492 O THR A 96 16.312 -1.466 -1.426 1.00 0.38 O ATOM 1493 CB THR A 96 16.737 -0.839 -4.508 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.492 -1.170 -5.862 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.960 -1.613 -4.061 1.00 0.43 C ATOM 0 H THR A 96 14.499 -0.021 -5.138 1.00 0.29 H new ATOM 0 HA THR A 96 15.276 -2.178 -3.651 1.00 0.32 H new ATOM 0 HB THR A 96 16.939 0.226 -4.391 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.295 -0.987 -6.394 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.801 -1.373 -4.712 1.00 0.43 H new ATOM 0 HG22 THR A 96 18.207 -1.342 -3.035 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.754 -2.682 -4.114 1.00 0.43 H new ATOM 1503 N CYS A 97 15.406 0.536 -1.863 1.00 0.32 N ATOM 1504 CA CYS A 97 15.627 1.030 -0.507 1.00 0.36 C ATOM 1505 C CYS A 97 17.076 0.793 -0.066 1.00 0.43 C ATOM 1506 O CYS A 97 17.329 0.090 0.913 1.00 0.64 O ATOM 1507 CB CYS A 97 14.665 0.336 0.463 1.00 0.38 C ATOM 1508 SG CYS A 97 12.917 0.550 0.054 1.00 1.10 S ATOM 0 H CYS A 97 14.958 1.202 -2.492 1.00 0.32 H new ATOM 0 HA CYS A 97 15.439 2.104 -0.498 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.894 -0.730 0.484 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.841 0.719 1.468 1.00 0.38 H new ATOM 0 HG CYS A 97 12.692 0.090 -1.141 1.00 1.10 H new ATOM 1514 N ARG A 98 18.025 1.383 -0.795 1.00 0.53 N ATOM 1515 CA ARG A 98 19.447 1.228 -0.475 1.00 0.63 C ATOM 1516 C ARG A 98 19.948 2.387 0.379 1.00 0.80 C ATOM 1517 O ARG A 98 20.173 2.237 1.581 1.00 1.04 O ATOM 1518 CB ARG A 98 20.313 1.119 -1.746 1.00 0.68 C ATOM 1519 CG ARG A 98 19.543 1.052 -3.059 1.00 0.74 C ATOM 1520 CD ARG A 98 19.448 2.420 -3.707 1.00 0.92 C ATOM 1521 NE ARG A 98 18.126 3.014 -3.538 1.00 1.64 N ATOM 1522 CZ ARG A 98 17.127 2.889 -4.414 1.00 2.31 C ATOM 1523 NH1 ARG A 98 17.308 2.185 -5.523 1.00 2.68 N ATOM 1524 NH2 ARG A 98 15.951 3.462 -4.188 1.00 3.00 N ATOM 0 H ARG A 98 17.837 1.970 -1.608 1.00 0.53 H new ATOM 0 HA ARG A 98 19.540 0.299 0.088 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.985 1.977 -1.782 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.937 0.229 -1.665 1.00 0.68 H new ATOM 0 HG2 ARG A 98 20.037 0.358 -3.739 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.542 0.662 -2.877 1.00 0.74 H new ATOM 0 HD2 ARG A 98 20.200 3.079 -3.274 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.674 2.334 -4.770 1.00 0.92 H new ATOM 0 HE ARG A 98 17.954 3.561 -2.694 1.00 1.64 H new ATOM 0 HH11 ARG A 98 18.208 1.741 -5.704 1.00 2.68 H new ATOM 0 HH12 ARG A 98 16.547 2.087 -6.195 1.00 2.68 H new ATOM 0 HH21 ARG A 98 15.803 4.005 -3.337 1.00 3.00 H new ATOM 0 HH22 ARG A 98 15.195 3.359 -4.865 1.00 3.00 H new ATOM 1538 N ASP A 99 20.119 3.541 -0.251 1.00 0.92 N ATOM 1539 CA ASP A 99 20.596 4.739 0.443 1.00 1.20 C ATOM 1540 C ASP A 99 19.720 5.955 0.136 1.00 1.03 C ATOM 1541 O ASP A 99 20.145 7.096 0.312 1.00 1.20 O ATOM 1542 CB ASP A 99 22.040 5.037 0.044 1.00 1.61 C ATOM 1543 CG ASP A 99 22.150 5.562 -1.373 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.742 4.840 -2.307 1.00 2.14 O ATOM 1545 OD2 ASP A 99 22.647 6.694 -1.550 1.00 2.08 O ATOM 0 H ASP A 99 19.935 3.678 -1.245 1.00 0.92 H new ATOM 0 HA ASP A 99 20.542 4.542 1.514 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.461 5.769 0.734 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.635 4.129 0.140 1.00 1.61 H new ATOM 1550 N ASP A 100 18.497 5.707 -0.324 1.00 0.85 N ATOM 1551 CA ASP A 100 17.556 6.781 -0.659 1.00 0.92 C ATOM 1552 C ASP A 100 18.214 7.917 -1.445 1.00 1.22 C ATOM 1553 O ASP A 100 17.720 9.044 -1.433 1.00 1.38 O ATOM 1554 CB ASP A 100 16.923 7.352 0.609 1.00 0.87 C ATOM 1555 CG ASP A 100 15.714 8.216 0.314 1.00 1.32 C ATOM 1556 OD1 ASP A 100 15.160 8.098 -0.799 1.00 2.03 O ATOM 1557 OD2 ASP A 100 15.322 9.011 1.193 1.00 2.06 O ATOM 0 H ASP A 100 18.129 4.768 -0.475 1.00 0.85 H new ATOM 0 HA ASP A 100 16.790 6.334 -1.293 1.00 0.92 H new ATOM 0 HB2 ASP A 100 16.629 6.533 1.265 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.665 7.942 1.148 1.00 0.87 H new ATOM 1562 N VAL A 101 19.313 7.626 -2.135 1.00 1.43 N ATOM 1563 CA VAL A 101 20.004 8.643 -2.926 1.00 1.90 C ATOM 1564 C VAL A 101 20.576 8.054 -4.215 1.00 2.23 C ATOM 1565 O VAL A 101 21.418 8.668 -4.871 1.00 2.80 O ATOM 1566 CB VAL A 101 21.147 9.316 -2.138 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.728 10.467 -2.944 1.00 2.67 C ATOM 1568 CG2 VAL A 101 20.667 9.805 -0.779 1.00 2.22 C ATOM 0 H VAL A 101 19.743 6.701 -2.164 1.00 1.43 H new ATOM 0 HA VAL A 101 19.254 9.396 -3.169 1.00 1.90 H new ATOM 0 HB VAL A 101 21.927 8.574 -1.967 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.534 10.936 -2.380 1.00 2.67 H new ATOM 0 HG12 VAL A 101 22.119 10.089 -3.889 1.00 2.67 H new ATOM 0 HG13 VAL A 101 20.948 11.202 -3.142 1.00 2.67 H new ATOM 0 HG21 VAL A 101 21.495 10.274 -0.248 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.866 10.531 -0.916 1.00 2.22 H new ATOM 0 HG23 VAL A 101 20.296 8.960 -0.199 1.00 2.22 H new ATOM 1578 N GLU A 102 20.116 6.863 -4.580 1.00 1.99 N ATOM 1579 CA GLU A 102 20.586 6.205 -5.792 1.00 2.40 C ATOM 1580 C GLU A 102 19.470 6.083 -6.822 1.00 2.00 C ATOM 1581 O GLU A 102 19.725 5.854 -8.004 1.00 2.49 O ATOM 1582 CB GLU A 102 21.129 4.820 -5.458 1.00 3.22 C ATOM 1583 CG GLU A 102 22.530 4.848 -4.885 1.00 3.87 C ATOM 1584 CD GLU A 102 23.593 5.067 -5.945 1.00 4.18 C ATOM 1585 OE1 GLU A 102 23.922 4.099 -6.662 1.00 4.47 O ATOM 1586 OE2 GLU A 102 24.093 6.205 -6.057 1.00 4.58 O ATOM 0 H GLU A 102 19.419 6.335 -4.055 1.00 1.99 H new ATOM 0 HA GLU A 102 21.381 6.816 -6.219 1.00 2.40 H new ATOM 0 HB2 GLU A 102 20.461 4.338 -4.744 1.00 3.22 H new ATOM 0 HB3 GLU A 102 21.125 4.209 -6.360 1.00 3.22 H new ATOM 0 HG2 GLU A 102 22.597 5.641 -4.140 1.00 3.87 H new ATOM 0 HG3 GLU A 102 22.726 3.908 -4.369 1.00 3.87 H new ATOM 1593 N ALA A 103 18.229 6.234 -6.366 1.00 1.84 N ATOM 1594 CA ALA A 103 17.073 6.137 -7.250 1.00 2.56 C ATOM 1595 C ALA A 103 15.773 6.163 -6.452 1.00 3.21 C ATOM 1596 O ALA A 103 14.892 5.323 -6.731 1.00 3.72 O ATOM 1597 CB ALA A 103 17.152 4.871 -8.092 1.00 3.26 C ATOM 1598 OXT ALA A 103 15.647 7.025 -5.557 1.00 3.79 O ATOM 0 H ALA A 103 17.999 6.424 -5.390 1.00 1.84 H new ATOM 0 HA ALA A 103 17.082 7.001 -7.915 1.00 2.56 H new ATOM 0 HB1 ALA A 103 16.282 4.814 -8.746 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.059 4.892 -8.696 1.00 3.26 H new ATOM 0 HB3 ALA A 103 17.172 3.999 -7.438 1.00 3.26 H new TER 1604 ALA A 103