USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 29 ASN : amide:sc= -1.1! C(o=-1.5!,f=-9!) USER MOD Set 1.2: A 36 GLN : amide:sc= -0.362! C(o=-1.5!,f=-15!) USER MOD Set 2.1: A 18 GLN : amide:sc= -2.72 K(o=-2.7,f=-11!) USER MOD Set 2.2: A 44 SER OG : rot -64:sc= 0.0604 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -53:sc= 0.0113 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.0244 (180deg=-0.245) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 24 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.9!) USER MOD Single : A 25 TYR OH : rot 159:sc= 0.295 USER MOD Single : A 30 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.36) USER MOD Single : A 31 SER OG : rot -70:sc= -0.915 USER MOD Single : A 33 SER OG : rot 180:sc=-0.000302 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -132:sc= -5.77! (180deg=-9.59!) USER MOD Single : A 43 LYS NZ :NH3+ -133:sc= 0.265 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.741 X(o=-0.74,f=-0.61) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.87 F(o=-2.7!,f=-0.87) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 67:sc= 1.27 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -4.55! C(o=-4.5!,f=-7.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.486 -2.038 -6.409 1.00 0.00 N ATOM 2 CA GLY A 1 -15.545 -2.900 -7.575 1.00 0.00 C ATOM 3 C GLY A 1 -16.227 -4.222 -7.285 1.00 0.00 C ATOM 4 O GLY A 1 -15.666 -5.082 -6.605 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.011 -1.147 -6.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.451 -1.835 -6.078 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.954 -2.513 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.079 -2.387 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.534 -3.088 -7.936 1.00 0.00 H new ATOM 8 N SER A 2 -17.442 -4.385 -7.799 1.00 0.00 N ATOM 9 CA SER A 2 -18.204 -5.609 -7.586 1.00 0.00 C ATOM 10 C SER A 2 -17.844 -6.662 -8.631 1.00 0.00 C ATOM 11 O SER A 2 -17.606 -7.823 -8.301 1.00 0.00 O ATOM 12 CB SER A 2 -19.705 -5.317 -7.636 1.00 0.00 C ATOM 13 OG SER A 2 -20.168 -4.810 -6.396 1.00 0.00 O ATOM 0 H SER A 2 -17.919 -3.684 -8.366 1.00 0.00 H new ATOM 0 HA SER A 2 -17.950 -5.998 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.912 -4.596 -8.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.248 -6.229 -7.885 1.00 0.00 H new ATOM 0 HG SER A 2 -21.130 -4.630 -6.455 1.00 0.00 H new ATOM 19 N SER A 3 -17.808 -6.245 -9.892 1.00 0.00 N ATOM 20 CA SER A 3 -17.481 -7.151 -10.987 1.00 0.00 C ATOM 21 C SER A 3 -16.014 -7.567 -10.929 1.00 0.00 C ATOM 22 O SER A 3 -15.673 -8.718 -11.195 1.00 0.00 O ATOM 23 CB SER A 3 -17.782 -6.488 -12.333 1.00 0.00 C ATOM 24 OG SER A 3 -17.905 -7.456 -13.361 1.00 0.00 O ATOM 0 H SER A 3 -18.001 -5.286 -10.181 1.00 0.00 H new ATOM 0 HA SER A 3 -18.098 -8.044 -10.883 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.704 -5.911 -12.260 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.986 -5.787 -12.583 1.00 0.00 H new ATOM 0 HG SER A 3 -18.099 -7.008 -14.211 1.00 0.00 H new ATOM 30 N GLY A 4 -15.150 -6.619 -10.579 1.00 0.00 N ATOM 31 CA GLY A 4 -13.730 -6.905 -10.492 1.00 0.00 C ATOM 32 C GLY A 4 -13.002 -6.624 -11.791 1.00 0.00 C ATOM 33 O GLY A 4 -12.001 -5.907 -11.807 1.00 0.00 O ATOM 0 H GLY A 4 -15.408 -5.658 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.290 -6.305 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.589 -7.951 -10.219 1.00 0.00 H new ATOM 37 N SER A 5 -13.504 -7.190 -12.884 1.00 0.00 N ATOM 38 CA SER A 5 -12.891 -7.001 -14.193 1.00 0.00 C ATOM 39 C SER A 5 -11.429 -7.440 -14.178 1.00 0.00 C ATOM 40 O SER A 5 -10.611 -6.940 -14.949 1.00 0.00 O ATOM 41 CB SER A 5 -12.990 -5.536 -14.620 1.00 0.00 C ATOM 42 OG SER A 5 -12.936 -5.410 -16.030 1.00 0.00 O ATOM 0 H SER A 5 -14.334 -7.783 -12.889 1.00 0.00 H new ATOM 0 HA SER A 5 -13.431 -7.619 -14.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.921 -5.108 -14.249 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.177 -4.967 -14.170 1.00 0.00 H new ATOM 0 HG SER A 5 -12.140 -5.871 -16.369 1.00 0.00 H new ATOM 48 N SER A 6 -11.109 -8.379 -13.292 1.00 0.00 N ATOM 49 CA SER A 6 -9.747 -8.883 -13.172 1.00 0.00 C ATOM 50 C SER A 6 -9.597 -10.220 -13.891 1.00 0.00 C ATOM 51 O SER A 6 -10.574 -10.936 -14.104 1.00 0.00 O ATOM 52 CB SER A 6 -9.366 -9.038 -11.698 1.00 0.00 C ATOM 53 OG SER A 6 -7.976 -9.273 -11.552 1.00 0.00 O ATOM 0 H SER A 6 -11.775 -8.805 -12.648 1.00 0.00 H new ATOM 0 HA SER A 6 -9.077 -8.162 -13.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.645 -8.138 -11.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.926 -9.864 -11.260 1.00 0.00 H new ATOM 0 HG SER A 6 -7.758 -9.367 -10.601 1.00 0.00 H new ATOM 59 N GLY A 7 -8.364 -10.549 -14.265 1.00 0.00 N ATOM 60 CA GLY A 7 -8.107 -11.799 -14.956 1.00 0.00 C ATOM 61 C GLY A 7 -6.626 -12.088 -15.101 1.00 0.00 C ATOM 62 O GLY A 7 -5.790 -11.395 -14.520 1.00 0.00 O ATOM 0 H GLY A 7 -7.539 -9.972 -14.102 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.582 -12.616 -14.412 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.566 -11.765 -15.944 1.00 0.00 H new ATOM 66 N LYS A 8 -6.298 -13.115 -15.878 1.00 0.00 N ATOM 67 CA LYS A 8 -4.908 -13.495 -16.098 1.00 0.00 C ATOM 68 C LYS A 8 -4.347 -12.812 -17.341 1.00 0.00 C ATOM 69 O LYS A 8 -3.819 -13.470 -18.238 1.00 0.00 O ATOM 70 CB LYS A 8 -4.790 -15.014 -16.241 1.00 0.00 C ATOM 71 CG LYS A 8 -4.794 -15.752 -14.913 1.00 0.00 C ATOM 72 CD LYS A 8 -6.206 -16.095 -14.470 1.00 0.00 C ATOM 73 CE LYS A 8 -6.711 -17.360 -15.148 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.003 -18.574 -14.655 1.00 0.00 N ATOM 0 H LYS A 8 -6.977 -13.699 -16.366 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.328 -13.171 -15.234 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.616 -15.378 -16.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.870 -15.250 -16.775 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.207 -16.666 -15.002 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.312 -15.137 -14.153 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.227 -16.227 -13.388 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.873 -15.265 -14.703 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.781 -17.466 -14.969 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.575 -17.273 -16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.566 -19.419 -14.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.073 -18.645 -15.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.875 -18.507 -13.625 1.00 0.00 H new ATOM 88 N ARG A 9 -4.465 -11.489 -17.388 1.00 0.00 N ATOM 89 CA ARG A 9 -3.969 -10.717 -18.521 1.00 0.00 C ATOM 90 C ARG A 9 -2.731 -9.914 -18.132 1.00 0.00 C ATOM 91 O ARG A 9 -2.525 -9.569 -16.969 1.00 0.00 O ATOM 92 CB ARG A 9 -5.058 -9.777 -19.040 1.00 0.00 C ATOM 93 CG ARG A 9 -6.214 -10.497 -19.714 1.00 0.00 C ATOM 94 CD ARG A 9 -7.280 -9.521 -20.186 1.00 0.00 C ATOM 95 NE ARG A 9 -8.056 -8.978 -19.073 1.00 0.00 N ATOM 96 CZ ARG A 9 -8.884 -9.705 -18.331 1.00 0.00 C ATOM 97 NH1 ARG A 9 -9.044 -10.997 -18.583 1.00 0.00 N ATOM 98 NH2 ARG A 9 -9.555 -9.139 -17.336 1.00 0.00 N ATOM 0 H ARG A 9 -4.900 -10.929 -16.654 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.694 -11.415 -19.312 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.444 -9.187 -18.208 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.615 -9.077 -19.748 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.842 -11.069 -20.564 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.655 -11.210 -19.018 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.808 -8.704 -20.731 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.950 -10.025 -20.883 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.956 -7.987 -18.854 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.531 -11.435 -19.348 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.680 -11.553 -18.012 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.435 -8.145 -17.140 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.191 -9.698 -16.767 1.00 0.00 H new ATOM 112 N PRO A 10 -1.886 -9.610 -19.129 1.00 0.00 N ATOM 113 CA PRO A 10 -0.654 -8.844 -18.916 1.00 0.00 C ATOM 114 C PRO A 10 -0.931 -7.384 -18.573 1.00 0.00 C ATOM 115 O PRO A 10 -0.006 -6.601 -18.360 1.00 0.00 O ATOM 116 CB PRO A 10 0.066 -8.950 -20.262 1.00 0.00 C ATOM 117 CG PRO A 10 -1.019 -9.184 -21.255 1.00 0.00 C ATOM 118 CD PRO A 10 -2.068 -9.989 -20.540 1.00 0.00 C ATOM 0 HA PRO A 10 -0.075 -9.228 -18.076 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.619 -8.038 -20.488 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.786 -9.768 -20.262 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.429 -8.240 -21.615 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.642 -9.720 -22.126 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.070 -9.748 -20.895 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.925 -11.059 -20.690 1.00 0.00 H new ATOM 126 N ARG A 11 -2.210 -7.026 -18.521 1.00 0.00 N ATOM 127 CA ARG A 11 -2.608 -5.659 -18.205 1.00 0.00 C ATOM 128 C ARG A 11 -3.582 -5.635 -17.031 1.00 0.00 C ATOM 129 O ARG A 11 -4.699 -6.147 -17.125 1.00 0.00 O ATOM 130 CB ARG A 11 -3.247 -4.996 -19.426 1.00 0.00 C ATOM 131 CG ARG A 11 -2.321 -4.914 -20.629 1.00 0.00 C ATOM 132 CD ARG A 11 -2.874 -3.981 -21.695 1.00 0.00 C ATOM 133 NE ARG A 11 -3.782 -4.670 -22.608 1.00 0.00 N ATOM 134 CZ ARG A 11 -4.206 -4.150 -23.755 1.00 0.00 C ATOM 135 NH1 ARG A 11 -3.806 -2.942 -24.127 1.00 0.00 N ATOM 136 NH2 ARG A 11 -5.031 -4.839 -24.532 1.00 0.00 N ATOM 0 H ARG A 11 -2.988 -7.663 -18.693 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.714 -5.102 -17.925 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.142 -5.552 -19.704 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.568 -3.990 -19.156 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.339 -4.563 -20.311 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.182 -5.909 -21.051 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.399 -3.155 -21.216 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.049 -3.549 -22.262 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.109 -5.602 -22.351 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.171 -2.409 -23.532 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.133 -2.545 -25.008 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.341 -5.769 -24.249 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.356 -4.439 -25.412 1.00 0.00 H new ATOM 150 N THR A 12 -3.153 -5.036 -15.924 1.00 0.00 N ATOM 151 CA THR A 12 -3.986 -4.947 -14.732 1.00 0.00 C ATOM 152 C THR A 12 -3.892 -3.563 -14.099 1.00 0.00 C ATOM 153 O THR A 12 -2.850 -2.910 -14.162 1.00 0.00 O ATOM 154 CB THR A 12 -3.587 -6.005 -13.686 1.00 0.00 C ATOM 155 OG1 THR A 12 -3.574 -7.305 -14.286 1.00 0.00 O ATOM 156 CG2 THR A 12 -4.550 -5.993 -12.509 1.00 0.00 C ATOM 0 H THR A 12 -2.233 -4.605 -15.829 1.00 0.00 H new ATOM 0 HA THR A 12 -5.012 -5.131 -15.050 1.00 0.00 H new ATOM 0 HB THR A 12 -2.589 -5.764 -13.320 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.318 -7.972 -13.615 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.248 -6.748 -11.784 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.536 -5.011 -12.037 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.558 -6.211 -12.861 1.00 0.00 H new ATOM 164 N ARG A 13 -4.987 -3.121 -13.488 1.00 0.00 N ATOM 165 CA ARG A 13 -5.027 -1.814 -12.843 1.00 0.00 C ATOM 166 C ARG A 13 -5.203 -1.957 -11.334 1.00 0.00 C ATOM 167 O ARG A 13 -6.071 -2.696 -10.868 1.00 0.00 O ATOM 168 CB ARG A 13 -6.166 -0.972 -13.422 1.00 0.00 C ATOM 169 CG ARG A 13 -6.120 0.487 -12.999 1.00 0.00 C ATOM 170 CD ARG A 13 -5.297 1.323 -13.967 1.00 0.00 C ATOM 171 NE ARG A 13 -3.862 1.119 -13.783 1.00 0.00 N ATOM 172 CZ ARG A 13 -2.945 1.531 -14.651 1.00 0.00 C ATOM 173 NH1 ARG A 13 -3.310 2.164 -15.757 1.00 0.00 N ATOM 174 NH2 ARG A 13 -1.658 1.309 -14.414 1.00 0.00 N ATOM 0 H ARG A 13 -5.858 -3.649 -13.426 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.078 -1.313 -13.035 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.131 -1.027 -14.510 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.118 -1.402 -13.112 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.134 0.883 -12.946 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.695 0.563 -11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.571 1.067 -14.991 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.534 2.378 -13.827 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.547 0.634 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.298 2.336 -15.944 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.603 2.479 -16.421 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.372 0.822 -13.565 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.955 1.626 -15.081 1.00 0.00 H new ATOM 188 N ILE A 14 -4.373 -1.247 -10.578 1.00 0.00 N ATOM 189 CA ILE A 14 -4.438 -1.295 -9.122 1.00 0.00 C ATOM 190 C ILE A 14 -5.654 -0.538 -8.600 1.00 0.00 C ATOM 191 O ILE A 14 -6.040 0.495 -9.149 1.00 0.00 O ATOM 192 CB ILE A 14 -3.167 -0.704 -8.483 1.00 0.00 C ATOM 193 CG1 ILE A 14 -1.920 -1.378 -9.058 1.00 0.00 C ATOM 194 CG2 ILE A 14 -3.212 -0.863 -6.971 1.00 0.00 C ATOM 195 CD1 ILE A 14 -0.636 -0.642 -8.744 1.00 0.00 C ATOM 0 H ILE A 14 -3.648 -0.632 -10.949 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.521 -2.346 -8.844 1.00 0.00 H new ATOM 0 HB ILE A 14 -3.122 0.360 -8.716 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.852 -2.393 -8.667 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.027 -1.460 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.307 -0.441 -6.534 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.084 -0.341 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.277 -1.921 -6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.206 -1.177 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.683 0.365 -9.159 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.505 -0.583 -7.663 1.00 0.00 H new ATOM 207 N THR A 15 -6.256 -1.059 -7.535 1.00 0.00 N ATOM 208 CA THR A 15 -7.429 -0.433 -6.938 1.00 0.00 C ATOM 209 C THR A 15 -7.127 0.074 -5.533 1.00 0.00 C ATOM 210 O THR A 15 -6.060 -0.198 -4.981 1.00 0.00 O ATOM 211 CB THR A 15 -8.617 -1.412 -6.874 1.00 0.00 C ATOM 212 OG1 THR A 15 -9.788 -0.732 -6.408 1.00 0.00 O ATOM 213 CG2 THR A 15 -8.304 -2.583 -5.955 1.00 0.00 C ATOM 0 H THR A 15 -5.950 -1.913 -7.068 1.00 0.00 H new ATOM 0 HA THR A 15 -7.696 0.410 -7.576 1.00 0.00 H new ATOM 0 HB THR A 15 -8.797 -1.797 -7.878 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.539 -1.361 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.157 -3.261 -5.926 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.430 -3.116 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.100 -2.213 -4.950 1.00 0.00 H new ATOM 221 N ASP A 16 -8.071 0.810 -4.958 1.00 0.00 N ATOM 222 CA ASP A 16 -7.906 1.354 -3.615 1.00 0.00 C ATOM 223 C ASP A 16 -7.757 0.233 -2.590 1.00 0.00 C ATOM 224 O ASP A 16 -7.123 0.411 -1.550 1.00 0.00 O ATOM 225 CB ASP A 16 -9.098 2.240 -3.250 1.00 0.00 C ATOM 226 CG ASP A 16 -9.416 3.256 -4.330 1.00 0.00 C ATOM 227 OD1 ASP A 16 -10.096 2.887 -5.309 1.00 0.00 O ATOM 228 OD2 ASP A 16 -8.983 4.420 -4.196 1.00 0.00 O ATOM 0 H ASP A 16 -8.959 1.044 -5.401 1.00 0.00 H new ATOM 0 HA ASP A 16 -6.998 1.957 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.973 1.614 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.887 2.761 -2.316 1.00 0.00 H new ATOM 233 N ASP A 17 -8.345 -0.919 -2.891 1.00 0.00 N ATOM 234 CA ASP A 17 -8.278 -2.068 -1.996 1.00 0.00 C ATOM 235 C ASP A 17 -6.889 -2.699 -2.026 1.00 0.00 C ATOM 236 O ASP A 17 -6.439 -3.276 -1.037 1.00 0.00 O ATOM 237 CB ASP A 17 -9.332 -3.106 -2.385 1.00 0.00 C ATOM 238 CG ASP A 17 -10.704 -2.493 -2.581 1.00 0.00 C ATOM 239 OD1 ASP A 17 -11.290 -2.017 -1.585 1.00 0.00 O ATOM 240 OD2 ASP A 17 -11.192 -2.486 -3.730 1.00 0.00 O ATOM 0 H ASP A 17 -8.874 -1.082 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.478 -1.721 -0.982 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.025 -3.604 -3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.387 -3.872 -1.611 1.00 0.00 H new ATOM 245 N GLN A 18 -6.218 -2.586 -3.167 1.00 0.00 N ATOM 246 CA GLN A 18 -4.881 -3.148 -3.325 1.00 0.00 C ATOM 247 C GLN A 18 -3.815 -2.145 -2.897 1.00 0.00 C ATOM 248 O GLN A 18 -2.781 -2.520 -2.343 1.00 0.00 O ATOM 249 CB GLN A 18 -4.650 -3.567 -4.778 1.00 0.00 C ATOM 250 CG GLN A 18 -5.358 -4.857 -5.160 1.00 0.00 C ATOM 251 CD GLN A 18 -4.654 -5.601 -6.277 1.00 0.00 C ATOM 252 OE1 GLN A 18 -4.025 -6.635 -6.051 1.00 0.00 O ATOM 253 NE2 GLN A 18 -4.756 -5.077 -7.493 1.00 0.00 N ATOM 0 H GLN A 18 -6.577 -2.111 -3.995 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.805 -4.027 -2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.990 -2.767 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.580 -3.686 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.425 -5.503 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.379 -4.629 -5.467 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.287 -4.218 -7.635 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.303 -5.533 -8.285 1.00 0.00 H new ATOM 262 N LEU A 19 -4.073 -0.868 -3.157 1.00 0.00 N ATOM 263 CA LEU A 19 -3.135 0.191 -2.799 1.00 0.00 C ATOM 264 C LEU A 19 -2.942 0.258 -1.287 1.00 0.00 C ATOM 265 O LEU A 19 -1.813 0.289 -0.797 1.00 0.00 O ATOM 266 CB LEU A 19 -3.633 1.539 -3.321 1.00 0.00 C ATOM 267 CG LEU A 19 -2.725 2.740 -3.054 1.00 0.00 C ATOM 268 CD1 LEU A 19 -1.405 2.585 -3.794 1.00 0.00 C ATOM 269 CD2 LEU A 19 -3.417 4.033 -3.459 1.00 0.00 C ATOM 0 H LEU A 19 -4.924 -0.541 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.174 -0.037 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.784 1.456 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.608 1.740 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.516 2.783 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.771 3.449 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.902 1.679 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.594 2.516 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.756 4.877 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.656 4.000 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.336 4.150 -2.884 1.00 0.00 H new ATOM 281 N ARG A 20 -4.050 0.277 -0.554 1.00 0.00 N ATOM 282 CA ARG A 20 -4.003 0.340 0.901 1.00 0.00 C ATOM 283 C ARG A 20 -2.980 -0.649 1.455 1.00 0.00 C ATOM 284 O ARG A 20 -2.270 -0.351 2.415 1.00 0.00 O ATOM 285 CB ARG A 20 -5.383 0.045 1.491 1.00 0.00 C ATOM 286 CG ARG A 20 -5.955 -1.296 1.063 1.00 0.00 C ATOM 287 CD ARG A 20 -7.414 -1.435 1.469 1.00 0.00 C ATOM 288 NE ARG A 20 -7.902 -2.801 1.295 1.00 0.00 N ATOM 289 CZ ARG A 20 -7.572 -3.807 2.097 1.00 0.00 C ATOM 290 NH1 ARG A 20 -6.756 -3.603 3.122 1.00 0.00 N ATOM 291 NH2 ARG A 20 -8.057 -5.022 1.873 1.00 0.00 N ATOM 0 H ARG A 20 -4.992 0.250 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.701 1.348 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.317 0.072 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.072 0.836 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.865 -1.403 -0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.373 -2.101 1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.530 -1.138 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.023 -0.754 0.874 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.531 -2.993 0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.380 -2.671 3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.505 -4.378 3.736 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.684 -5.184 1.085 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.803 -5.794 2.489 1.00 0.00 H new ATOM 305 N VAL A 21 -2.911 -1.826 0.842 1.00 0.00 N ATOM 306 CA VAL A 21 -1.976 -2.858 1.273 1.00 0.00 C ATOM 307 C VAL A 21 -0.532 -2.402 1.090 1.00 0.00 C ATOM 308 O VAL A 21 0.333 -2.697 1.916 1.00 0.00 O ATOM 309 CB VAL A 21 -2.190 -4.170 0.494 1.00 0.00 C ATOM 310 CG1 VAL A 21 -1.189 -5.225 0.939 1.00 0.00 C ATOM 311 CG2 VAL A 21 -3.616 -4.668 0.673 1.00 0.00 C ATOM 0 H VAL A 21 -3.491 -2.089 0.045 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.167 -3.036 2.331 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.027 -3.974 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.356 -6.144 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.176 -4.866 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.317 -5.422 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.750 -5.595 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.808 -4.849 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.313 -3.917 0.301 1.00 0.00 H new ATOM 321 N LEU A 22 -0.278 -1.681 0.004 1.00 0.00 N ATOM 322 CA LEU A 22 1.061 -1.183 -0.288 1.00 0.00 C ATOM 323 C LEU A 22 1.393 0.027 0.580 1.00 0.00 C ATOM 324 O LEU A 22 2.535 0.203 1.007 1.00 0.00 O ATOM 325 CB LEU A 22 1.177 -0.811 -1.767 1.00 0.00 C ATOM 326 CG LEU A 22 0.510 -1.768 -2.754 1.00 0.00 C ATOM 327 CD1 LEU A 22 0.506 -1.174 -4.154 1.00 0.00 C ATOM 328 CD2 LEU A 22 1.214 -3.117 -2.748 1.00 0.00 C ATOM 0 H LEU A 22 -0.982 -1.428 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 22 1.774 -1.976 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.747 0.181 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.235 -0.738 -2.021 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.524 -1.918 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.027 -1.870 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.044 -0.233 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.532 -0.993 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.725 -3.786 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.257 -2.984 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.164 -3.549 -1.748 1.00 0.00 H new ATOM 340 N ARG A 23 0.388 0.856 0.840 1.00 0.00 N ATOM 341 CA ARG A 23 0.573 2.049 1.658 1.00 0.00 C ATOM 342 C ARG A 23 0.868 1.673 3.107 1.00 0.00 C ATOM 343 O ARG A 23 1.861 2.117 3.683 1.00 0.00 O ATOM 344 CB ARG A 23 -0.672 2.936 1.593 1.00 0.00 C ATOM 345 CG ARG A 23 -0.840 3.654 0.264 1.00 0.00 C ATOM 346 CD ARG A 23 -0.107 4.986 0.255 1.00 0.00 C ATOM 347 NE ARG A 23 -0.583 5.864 -0.811 1.00 0.00 N ATOM 348 CZ ARG A 23 -0.154 7.110 -0.983 1.00 0.00 C ATOM 349 NH1 ARG A 23 0.754 7.621 -0.163 1.00 0.00 N ATOM 350 NH2 ARG A 23 -0.634 7.847 -1.976 1.00 0.00 N ATOM 0 H ARG A 23 -0.563 0.724 0.496 1.00 0.00 H new ATOM 0 HA ARG A 23 1.425 2.602 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.554 2.323 1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.623 3.676 2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.463 3.024 -0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.900 3.819 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.240 5.480 1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.962 4.811 0.131 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.283 5.501 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.125 7.057 0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.082 8.578 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.333 7.457 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.304 8.803 -2.107 1.00 0.00 H new ATOM 364 N GLN A 24 -0.001 0.853 3.690 1.00 0.00 N ATOM 365 CA GLN A 24 0.166 0.419 5.072 1.00 0.00 C ATOM 366 C GLN A 24 1.625 0.085 5.364 1.00 0.00 C ATOM 367 O GLN A 24 2.182 0.521 6.373 1.00 0.00 O ATOM 368 CB GLN A 24 -0.715 -0.798 5.357 1.00 0.00 C ATOM 369 CG GLN A 24 -2.202 -0.482 5.375 1.00 0.00 C ATOM 370 CD GLN A 24 -2.692 -0.062 6.747 1.00 0.00 C ATOM 371 OE1 GLN A 24 -1.925 -0.030 7.710 1.00 0.00 O ATOM 372 NE2 GLN A 24 -3.976 0.263 6.843 1.00 0.00 N ATOM 0 H GLN A 24 -0.828 0.476 3.227 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.138 1.239 5.723 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.523 -1.560 4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.431 -1.224 6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.409 0.314 4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.760 -1.359 5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.575 0.222 6.019 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -4.363 0.554 7.741 1.00 0.00 H new ATOM 381 N TYR A 25 2.239 -0.689 4.477 1.00 0.00 N ATOM 382 CA TYR A 25 3.633 -1.084 4.642 1.00 0.00 C ATOM 383 C TYR A 25 4.558 0.124 4.534 1.00 0.00 C ATOM 384 O TYR A 25 5.514 0.259 5.298 1.00 0.00 O ATOM 385 CB TYR A 25 4.016 -2.129 3.592 1.00 0.00 C ATOM 386 CG TYR A 25 3.736 -3.551 4.022 1.00 0.00 C ATOM 387 CD1 TYR A 25 2.468 -4.102 3.884 1.00 0.00 C ATOM 388 CD2 TYR A 25 4.739 -4.343 4.568 1.00 0.00 C ATOM 389 CE1 TYR A 25 2.207 -5.401 4.276 1.00 0.00 C ATOM 390 CE2 TYR A 25 4.487 -5.643 4.962 1.00 0.00 C ATOM 391 CZ TYR A 25 3.220 -6.167 4.814 1.00 0.00 C ATOM 392 OH TYR A 25 2.965 -7.461 5.207 1.00 0.00 O ATOM 0 H TYR A 25 1.794 -1.056 3.636 1.00 0.00 H new ATOM 0 HA TYR A 25 3.746 -1.518 5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.471 -1.923 2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.077 -2.030 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.673 -3.505 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.732 -3.935 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.216 -5.814 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.278 -6.246 5.384 1.00 0.00 H new ATOM 0 HH TYR A 25 3.806 -7.963 5.244 1.00 0.00 H new ATOM 402 N PHE A 26 4.266 1.002 3.580 1.00 0.00 N ATOM 403 CA PHE A 26 5.070 2.200 3.370 1.00 0.00 C ATOM 404 C PHE A 26 5.502 2.805 4.703 1.00 0.00 C ATOM 405 O PHE A 26 6.681 3.090 4.914 1.00 0.00 O ATOM 406 CB PHE A 26 4.284 3.233 2.560 1.00 0.00 C ATOM 407 CG PHE A 26 5.157 4.217 1.835 1.00 0.00 C ATOM 408 CD1 PHE A 26 5.961 3.806 0.784 1.00 0.00 C ATOM 409 CD2 PHE A 26 5.174 5.552 2.205 1.00 0.00 C ATOM 410 CE1 PHE A 26 6.765 4.709 0.114 1.00 0.00 C ATOM 411 CE2 PHE A 26 5.976 6.459 1.539 1.00 0.00 C ATOM 412 CZ PHE A 26 6.773 6.037 0.493 1.00 0.00 C ATOM 0 H PHE A 26 3.478 0.906 2.940 1.00 0.00 H new ATOM 0 HA PHE A 26 5.963 1.915 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.656 2.714 1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.616 3.776 3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.959 2.768 0.485 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.554 5.887 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.386 4.376 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.980 7.497 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.401 6.744 -0.028 1.00 0.00 H new ATOM 422 N ASP A 27 4.540 2.997 5.598 1.00 0.00 N ATOM 423 CA ASP A 27 4.819 3.568 6.911 1.00 0.00 C ATOM 424 C ASP A 27 5.848 2.727 7.661 1.00 0.00 C ATOM 425 O ASP A 27 6.908 3.222 8.044 1.00 0.00 O ATOM 426 CB ASP A 27 3.532 3.671 7.730 1.00 0.00 C ATOM 427 CG ASP A 27 3.692 4.556 8.951 1.00 0.00 C ATOM 428 OD1 ASP A 27 3.732 5.793 8.786 1.00 0.00 O ATOM 429 OD2 ASP A 27 3.779 4.010 10.072 1.00 0.00 O ATOM 0 H ASP A 27 3.559 2.766 5.439 1.00 0.00 H new ATOM 0 HA ASP A 27 5.229 4.568 6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.735 4.066 7.100 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.225 2.674 8.045 1.00 0.00 H new ATOM 434 N ILE A 28 5.527 1.454 7.867 1.00 0.00 N ATOM 435 CA ILE A 28 6.423 0.545 8.571 1.00 0.00 C ATOM 436 C ILE A 28 7.822 0.573 7.965 1.00 0.00 C ATOM 437 O ILE A 28 8.804 0.832 8.658 1.00 0.00 O ATOM 438 CB ILE A 28 5.893 -0.901 8.544 1.00 0.00 C ATOM 439 CG1 ILE A 28 4.598 -1.008 9.352 1.00 0.00 C ATOM 440 CG2 ILE A 28 6.942 -1.859 9.086 1.00 0.00 C ATOM 441 CD1 ILE A 28 3.353 -0.743 8.535 1.00 0.00 C ATOM 0 H ILE A 28 4.653 1.029 7.556 1.00 0.00 H new ATOM 0 HA ILE A 28 6.471 0.887 9.605 1.00 0.00 H new ATOM 0 HB ILE A 28 5.678 -1.174 7.511 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.532 -2.005 9.787 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.637 -0.301 10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.553 -2.877 9.061 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.841 -1.799 8.473 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.185 -1.589 10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.473 -0.836 9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.397 0.265 8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.290 -1.466 7.722 1.00 0.00 H new ATOM 453 N ASN A 29 7.903 0.307 6.665 1.00 0.00 N ATOM 454 CA ASN A 29 9.182 0.303 5.964 1.00 0.00 C ATOM 455 C ASN A 29 9.046 0.934 4.582 1.00 0.00 C ATOM 456 O ASN A 29 8.292 0.450 3.739 1.00 0.00 O ATOM 457 CB ASN A 29 9.712 -1.126 5.836 1.00 0.00 C ATOM 458 CG ASN A 29 8.647 -2.098 5.367 1.00 0.00 C ATOM 459 OD1 ASN A 29 7.467 -1.945 5.686 1.00 0.00 O ATOM 460 ND2 ASN A 29 9.058 -3.105 4.605 1.00 0.00 N ATOM 0 H ASN A 29 7.099 0.092 6.076 1.00 0.00 H new ATOM 0 HA ASN A 29 9.889 0.894 6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.546 -1.140 5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.100 -1.454 6.800 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.386 -3.790 4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.046 -3.193 4.365 1.00 0.00 H new ATOM 467 N ASN A 30 9.784 2.016 4.356 1.00 0.00 N ATOM 468 CA ASN A 30 9.746 2.714 3.076 1.00 0.00 C ATOM 469 C ASN A 30 9.548 1.730 1.927 1.00 0.00 C ATOM 470 O ASN A 30 8.606 1.857 1.143 1.00 0.00 O ATOM 471 CB ASN A 30 11.037 3.507 2.866 1.00 0.00 C ATOM 472 CG ASN A 30 11.505 4.196 4.133 1.00 0.00 C ATOM 473 OD1 ASN A 30 12.680 4.123 4.495 1.00 0.00 O ATOM 474 ND2 ASN A 30 10.586 4.870 4.813 1.00 0.00 N ATOM 0 H ASN A 30 10.416 2.428 5.043 1.00 0.00 H new ATOM 0 HA ASN A 30 8.902 3.404 3.091 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.819 2.836 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.879 4.253 2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.842 5.355 5.673 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.624 4.903 4.475 1.00 0.00 H new ATOM 481 N SER A 31 10.440 0.750 1.833 1.00 0.00 N ATOM 482 CA SER A 31 10.365 -0.254 0.777 1.00 0.00 C ATOM 483 C SER A 31 10.186 -1.649 1.367 1.00 0.00 C ATOM 484 O SER A 31 10.755 -1.991 2.403 1.00 0.00 O ATOM 485 CB SER A 31 11.627 -0.211 -0.086 1.00 0.00 C ATOM 486 OG SER A 31 11.448 -0.941 -1.288 1.00 0.00 O ATOM 0 H SER A 31 11.223 0.629 2.475 1.00 0.00 H new ATOM 0 HA SER A 31 9.500 -0.028 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.877 0.824 -0.319 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.467 -0.624 0.472 1.00 0.00 H new ATOM 0 HG SER A 31 11.406 -1.899 -1.086 1.00 0.00 H new ATOM 492 N PRO A 32 9.374 -2.476 0.691 1.00 0.00 N ATOM 493 CA PRO A 32 9.100 -3.848 1.128 1.00 0.00 C ATOM 494 C PRO A 32 10.314 -4.758 0.977 1.00 0.00 C ATOM 495 O PRO A 32 11.240 -4.453 0.226 1.00 0.00 O ATOM 496 CB PRO A 32 7.974 -4.299 0.195 1.00 0.00 C ATOM 497 CG PRO A 32 8.135 -3.461 -1.026 1.00 0.00 C ATOM 498 CD PRO A 32 8.662 -2.135 -0.552 1.00 0.00 C ATOM 0 HA PRO A 32 8.840 -3.895 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.056 -5.360 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.996 -4.148 0.653 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.825 -3.926 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.184 -3.340 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.329 -1.682 -1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.856 -1.424 -0.371 1.00 0.00 H new ATOM 506 N SER A 33 10.302 -5.877 1.695 1.00 0.00 N ATOM 507 CA SER A 33 11.404 -6.831 1.642 1.00 0.00 C ATOM 508 C SER A 33 11.040 -8.035 0.779 1.00 0.00 C ATOM 509 O SER A 33 9.874 -8.416 0.687 1.00 0.00 O ATOM 510 CB SER A 33 11.774 -7.293 3.053 1.00 0.00 C ATOM 511 OG SER A 33 12.465 -8.530 3.020 1.00 0.00 O ATOM 0 H SER A 33 9.542 -6.145 2.320 1.00 0.00 H new ATOM 0 HA SER A 33 12.263 -6.332 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.396 -6.538 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.871 -7.393 3.655 1.00 0.00 H new ATOM 0 HG SER A 33 12.692 -8.803 3.934 1.00 0.00 H new ATOM 517 N GLU A 34 12.049 -8.629 0.149 1.00 0.00 N ATOM 518 CA GLU A 34 11.835 -9.790 -0.708 1.00 0.00 C ATOM 519 C GLU A 34 10.750 -10.697 -0.135 1.00 0.00 C ATOM 520 O GLU A 34 10.046 -11.383 -0.875 1.00 0.00 O ATOM 521 CB GLU A 34 13.137 -10.576 -0.873 1.00 0.00 C ATOM 522 CG GLU A 34 14.276 -9.752 -1.450 1.00 0.00 C ATOM 523 CD GLU A 34 15.521 -10.579 -1.709 1.00 0.00 C ATOM 524 OE1 GLU A 34 15.879 -11.402 -0.842 1.00 0.00 O ATOM 525 OE2 GLU A 34 16.137 -10.402 -2.782 1.00 0.00 O ATOM 0 H GLU A 34 13.021 -8.326 0.216 1.00 0.00 H new ATOM 0 HA GLU A 34 11.508 -9.433 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 34 13.440 -10.969 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.955 -11.433 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.950 -9.291 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.519 -8.942 -0.762 1.00 0.00 H new ATOM 532 N GLU A 35 10.622 -10.694 1.189 1.00 0.00 N ATOM 533 CA GLU A 35 9.624 -11.517 1.861 1.00 0.00 C ATOM 534 C GLU A 35 8.239 -10.885 1.760 1.00 0.00 C ATOM 535 O GLU A 35 7.257 -11.564 1.464 1.00 0.00 O ATOM 536 CB GLU A 35 10.001 -11.715 3.331 1.00 0.00 C ATOM 537 CG GLU A 35 10.905 -12.912 3.572 1.00 0.00 C ATOM 538 CD GLU A 35 11.473 -12.941 4.978 1.00 0.00 C ATOM 539 OE1 GLU A 35 11.674 -11.854 5.559 1.00 0.00 O ATOM 540 OE2 GLU A 35 11.714 -14.051 5.497 1.00 0.00 O ATOM 0 H GLU A 35 11.197 -10.131 1.816 1.00 0.00 H new ATOM 0 HA GLU A 35 9.597 -12.488 1.366 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.499 -10.816 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.090 -11.834 3.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.343 -13.829 3.392 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.724 -12.894 2.853 1.00 0.00 H new ATOM 547 N GLN A 36 8.171 -9.581 2.008 1.00 0.00 N ATOM 548 CA GLN A 36 6.907 -8.857 1.946 1.00 0.00 C ATOM 549 C GLN A 36 6.423 -8.728 0.505 1.00 0.00 C ATOM 550 O GLN A 36 5.243 -8.930 0.216 1.00 0.00 O ATOM 551 CB GLN A 36 7.058 -7.470 2.571 1.00 0.00 C ATOM 552 CG GLN A 36 7.356 -7.503 4.062 1.00 0.00 C ATOM 553 CD GLN A 36 7.972 -6.212 4.563 1.00 0.00 C ATOM 554 OE1 GLN A 36 8.601 -5.475 3.804 1.00 0.00 O ATOM 555 NE2 GLN A 36 7.792 -5.930 5.848 1.00 0.00 N ATOM 0 H GLN A 36 8.976 -9.005 2.254 1.00 0.00 H new ATOM 0 HA GLN A 36 6.166 -9.423 2.510 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.860 -6.936 2.061 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.141 -6.904 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.433 -7.697 4.609 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.033 -8.331 4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.264 -6.570 6.441 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.182 -5.074 6.242 1.00 0.00 H new ATOM 564 N ILE A 37 7.342 -8.392 -0.394 1.00 0.00 N ATOM 565 CA ILE A 37 7.009 -8.237 -1.805 1.00 0.00 C ATOM 566 C ILE A 37 6.274 -9.464 -2.334 1.00 0.00 C ATOM 567 O ILE A 37 5.479 -9.371 -3.269 1.00 0.00 O ATOM 568 CB ILE A 37 8.268 -7.999 -2.658 1.00 0.00 C ATOM 569 CG1 ILE A 37 9.109 -6.868 -2.061 1.00 0.00 C ATOM 570 CG2 ILE A 37 7.882 -7.679 -4.094 1.00 0.00 C ATOM 571 CD1 ILE A 37 10.288 -6.472 -2.922 1.00 0.00 C ATOM 0 H ILE A 37 8.323 -8.222 -0.171 1.00 0.00 H new ATOM 0 HA ILE A 37 6.359 -7.366 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 37 8.867 -8.910 -2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.473 -5.996 -1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.473 -7.175 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.783 -7.513 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.321 -8.514 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.265 -6.781 -4.113 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.838 -5.666 -2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.946 -7.331 -3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.931 -6.134 -3.895 1.00 0.00 H new ATOM 583 N LYS A 38 6.545 -10.616 -1.728 1.00 0.00 N ATOM 584 CA LYS A 38 5.909 -11.863 -2.135 1.00 0.00 C ATOM 585 C LYS A 38 4.575 -12.052 -1.420 1.00 0.00 C ATOM 586 O LYS A 38 3.558 -12.340 -2.050 1.00 0.00 O ATOM 587 CB LYS A 38 6.830 -13.049 -1.841 1.00 0.00 C ATOM 588 CG LYS A 38 6.586 -14.247 -2.743 1.00 0.00 C ATOM 589 CD LYS A 38 7.226 -14.057 -4.107 1.00 0.00 C ATOM 590 CE LYS A 38 7.014 -15.272 -4.997 1.00 0.00 C ATOM 591 NZ LYS A 38 7.856 -15.216 -6.223 1.00 0.00 N ATOM 0 H LYS A 38 7.201 -10.711 -0.953 1.00 0.00 H new ATOM 0 HA LYS A 38 5.722 -11.813 -3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.866 -12.729 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.697 -13.353 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.988 -15.145 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.514 -14.402 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.804 -13.174 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.294 -13.875 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.248 -16.177 -4.437 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.963 -15.335 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.682 -16.062 -6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.615 -14.365 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.860 -15.182 -5.953 1.00 0.00 H new ATOM 605 N GLU A 39 4.587 -11.885 -0.101 1.00 0.00 N ATOM 606 CA GLU A 39 3.377 -12.037 0.699 1.00 0.00 C ATOM 607 C GLU A 39 2.280 -11.095 0.210 1.00 0.00 C ATOM 608 O GLU A 39 1.096 -11.425 0.263 1.00 0.00 O ATOM 609 CB GLU A 39 3.677 -11.766 2.174 1.00 0.00 C ATOM 610 CG GLU A 39 3.506 -10.310 2.573 1.00 0.00 C ATOM 611 CD GLU A 39 3.821 -10.065 4.036 1.00 0.00 C ATOM 612 OE1 GLU A 39 3.094 -10.604 4.897 1.00 0.00 O ATOM 613 OE2 GLU A 39 4.793 -9.334 4.320 1.00 0.00 O ATOM 0 H GLU A 39 5.420 -11.645 0.436 1.00 0.00 H new ATOM 0 HA GLU A 39 3.026 -13.063 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.020 -12.382 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.699 -12.076 2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.156 -9.689 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.481 -9.999 2.369 1.00 0.00 H new ATOM 620 N MET A 40 2.685 -9.922 -0.266 1.00 0.00 N ATOM 621 CA MET A 40 1.737 -8.932 -0.764 1.00 0.00 C ATOM 622 C MET A 40 1.240 -9.309 -2.157 1.00 0.00 C ATOM 623 O MET A 40 0.040 -9.276 -2.428 1.00 0.00 O ATOM 624 CB MET A 40 2.384 -7.547 -0.798 1.00 0.00 C ATOM 625 CG MET A 40 2.457 -6.877 0.565 1.00 0.00 C ATOM 626 SD MET A 40 3.223 -5.246 0.497 1.00 0.00 S ATOM 627 CE MET A 40 4.946 -5.671 0.741 1.00 0.00 C ATOM 0 H MET A 40 3.662 -9.634 -0.317 1.00 0.00 H new ATOM 0 HA MET A 40 0.883 -8.909 -0.086 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.391 -7.635 -1.205 1.00 0.00 H new ATOM 0 HB3 MET A 40 1.821 -6.908 -1.478 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.451 -6.785 0.975 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.022 -7.511 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.377 -5.020 1.501 1.00 0.00 H new ATOM 0 HE2 MET A 40 5.022 -6.708 1.067 1.00 0.00 H new ATOM 0 HE3 MET A 40 5.488 -5.544 -0.196 1.00 0.00 H new ATOM 637 N ALA A 41 2.171 -9.665 -3.036 1.00 0.00 N ATOM 638 CA ALA A 41 1.827 -10.048 -4.399 1.00 0.00 C ATOM 639 C ALA A 41 0.681 -11.053 -4.414 1.00 0.00 C ATOM 640 O ALA A 41 -0.062 -11.148 -5.392 1.00 0.00 O ATOM 641 CB ALA A 41 3.045 -10.623 -5.109 1.00 0.00 C ATOM 0 H ALA A 41 3.169 -9.696 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 41 1.499 -9.154 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.774 -10.905 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.836 -9.874 -5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.398 -11.502 -4.571 1.00 0.00 H new ATOM 647 N ASP A 42 0.542 -11.802 -3.326 1.00 0.00 N ATOM 648 CA ASP A 42 -0.515 -12.800 -3.214 1.00 0.00 C ATOM 649 C ASP A 42 -1.728 -12.228 -2.488 1.00 0.00 C ATOM 650 O ASP A 42 -2.868 -12.425 -2.909 1.00 0.00 O ATOM 651 CB ASP A 42 -0.001 -14.038 -2.476 1.00 0.00 C ATOM 652 CG ASP A 42 -0.832 -15.272 -2.767 1.00 0.00 C ATOM 653 OD1 ASP A 42 -1.927 -15.402 -2.181 1.00 0.00 O ATOM 654 OD2 ASP A 42 -0.388 -16.108 -3.581 1.00 0.00 O ATOM 0 H ASP A 42 1.148 -11.737 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.818 -13.086 -4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.034 -14.225 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.005 -13.846 -1.403 1.00 0.00 H new ATOM 659 N LYS A 43 -1.476 -11.518 -1.393 1.00 0.00 N ATOM 660 CA LYS A 43 -2.546 -10.916 -0.607 1.00 0.00 C ATOM 661 C LYS A 43 -3.425 -10.025 -1.479 1.00 0.00 C ATOM 662 O LYS A 43 -4.647 -10.006 -1.329 1.00 0.00 O ATOM 663 CB LYS A 43 -1.962 -10.101 0.549 1.00 0.00 C ATOM 664 CG LYS A 43 -1.620 -10.937 1.770 1.00 0.00 C ATOM 665 CD LYS A 43 -1.123 -10.072 2.916 1.00 0.00 C ATOM 666 CE LYS A 43 -0.172 -10.839 3.822 1.00 0.00 C ATOM 667 NZ LYS A 43 0.056 -10.132 5.113 1.00 0.00 N ATOM 0 H LYS A 43 -0.539 -11.346 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.161 -11.719 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.062 -9.591 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.676 -9.329 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.501 -11.494 2.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.857 -11.670 1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.617 -9.193 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.972 -9.714 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.578 -11.831 4.018 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.781 -10.980 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.075 -10.110 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.305 -9.159 5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.442 -10.633 5.876 1.00 0.00 H new ATOM 681 N SER A 44 -2.796 -9.289 -2.389 1.00 0.00 N ATOM 682 CA SER A 44 -3.521 -8.393 -3.282 1.00 0.00 C ATOM 683 C SER A 44 -3.738 -9.044 -4.645 1.00 0.00 C ATOM 684 O SER A 44 -4.827 -8.972 -5.214 1.00 0.00 O ATOM 685 CB SER A 44 -2.758 -7.077 -3.449 1.00 0.00 C ATOM 686 OG SER A 44 -1.690 -7.220 -4.369 1.00 0.00 O ATOM 0 H SER A 44 -1.785 -9.295 -2.527 1.00 0.00 H new ATOM 0 HA SER A 44 -4.495 -8.186 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.439 -6.300 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.369 -6.753 -2.483 1.00 0.00 H new ATOM 0 HG SER A 44 -1.035 -7.856 -4.014 1.00 0.00 H new ATOM 692 N GLY A 45 -2.693 -9.682 -5.163 1.00 0.00 N ATOM 693 CA GLY A 45 -2.788 -10.337 -6.454 1.00 0.00 C ATOM 694 C GLY A 45 -1.890 -9.699 -7.496 1.00 0.00 C ATOM 695 O GLY A 45 -1.824 -10.161 -8.636 1.00 0.00 O ATOM 0 H GLY A 45 -1.782 -9.757 -4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.522 -11.388 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.821 -10.303 -6.800 1.00 0.00 H new ATOM 699 N LEU A 46 -1.199 -8.634 -7.106 1.00 0.00 N ATOM 700 CA LEU A 46 -0.301 -7.930 -8.015 1.00 0.00 C ATOM 701 C LEU A 46 1.060 -8.617 -8.077 1.00 0.00 C ATOM 702 O LEU A 46 1.500 -9.264 -7.126 1.00 0.00 O ATOM 703 CB LEU A 46 -0.131 -6.476 -7.572 1.00 0.00 C ATOM 704 CG LEU A 46 -1.388 -5.607 -7.624 1.00 0.00 C ATOM 705 CD1 LEU A 46 -1.332 -4.521 -6.561 1.00 0.00 C ATOM 706 CD2 LEU A 46 -1.556 -4.994 -9.007 1.00 0.00 C ATOM 0 H LEU A 46 -1.243 -8.239 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.744 -7.950 -9.011 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.248 -6.471 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.632 -6.013 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.252 -6.240 -7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.235 -3.913 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.261 -4.980 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.460 -3.890 -6.731 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.456 -4.379 -9.025 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.689 -4.376 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.644 -5.788 -9.749 1.00 0.00 H new ATOM 718 N PRO A 47 1.744 -8.473 -9.221 1.00 0.00 N ATOM 719 CA PRO A 47 3.066 -9.069 -9.434 1.00 0.00 C ATOM 720 C PRO A 47 4.146 -8.402 -8.589 1.00 0.00 C ATOM 721 O PRO A 47 3.865 -7.483 -7.820 1.00 0.00 O ATOM 722 CB PRO A 47 3.328 -8.831 -10.923 1.00 0.00 C ATOM 723 CG PRO A 47 2.505 -7.637 -11.266 1.00 0.00 C ATOM 724 CD PRO A 47 1.281 -7.715 -10.396 1.00 0.00 C ATOM 0 HA PRO A 47 3.090 -10.120 -9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.386 -8.651 -11.115 1.00 0.00 H new ATOM 0 HB3 PRO A 47 3.038 -9.696 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.057 -6.716 -11.081 1.00 0.00 H new ATOM 0 HG3 PRO A 47 2.234 -7.640 -12.322 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.922 -6.724 -10.119 1.00 0.00 H new ATOM 0 HD3 PRO A 47 0.460 -8.222 -10.903 1.00 0.00 H new ATOM 732 N GLN A 48 5.381 -8.870 -8.738 1.00 0.00 N ATOM 733 CA GLN A 48 6.502 -8.317 -7.988 1.00 0.00 C ATOM 734 C GLN A 48 7.077 -7.092 -8.691 1.00 0.00 C ATOM 735 O GLN A 48 7.670 -6.220 -8.056 1.00 0.00 O ATOM 736 CB GLN A 48 7.593 -9.375 -7.807 1.00 0.00 C ATOM 737 CG GLN A 48 7.331 -10.328 -6.653 1.00 0.00 C ATOM 738 CD GLN A 48 8.604 -10.941 -6.102 1.00 0.00 C ATOM 739 OE1 GLN A 48 9.622 -11.011 -6.791 1.00 0.00 O ATOM 740 NE2 GLN A 48 8.553 -11.388 -4.853 1.00 0.00 N ATOM 0 H GLN A 48 5.630 -9.630 -9.371 1.00 0.00 H new ATOM 0 HA GLN A 48 6.135 -8.011 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 48 7.686 -9.950 -8.728 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.548 -8.876 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.815 -9.794 -5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.665 -11.123 -6.987 1.00 0.00 H new ATOM 0 HE21 GLN A 48 7.688 -11.310 -4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.379 -11.810 -4.428 1.00 0.00 H new ATOM 749 N LYS A 49 6.897 -7.032 -10.006 1.00 0.00 N ATOM 750 CA LYS A 49 7.396 -5.914 -10.797 1.00 0.00 C ATOM 751 C LYS A 49 6.518 -4.680 -10.609 1.00 0.00 C ATOM 752 O LYS A 49 6.982 -3.549 -10.751 1.00 0.00 O ATOM 753 CB LYS A 49 7.450 -6.294 -12.279 1.00 0.00 C ATOM 754 CG LYS A 49 6.114 -6.754 -12.837 1.00 0.00 C ATOM 755 CD LYS A 49 6.137 -6.816 -14.355 1.00 0.00 C ATOM 756 CE LYS A 49 6.890 -8.041 -14.852 1.00 0.00 C ATOM 757 NZ LYS A 49 6.907 -8.116 -16.339 1.00 0.00 N ATOM 0 H LYS A 49 6.409 -7.746 -10.547 1.00 0.00 H new ATOM 0 HA LYS A 49 8.403 -5.678 -10.452 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.798 -5.435 -12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.184 -7.088 -12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.870 -7.737 -12.435 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.328 -6.072 -12.511 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.116 -6.837 -14.735 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.606 -5.915 -14.750 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.913 -8.015 -14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.426 -8.941 -14.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.429 -8.964 -16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.931 -8.167 -16.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.372 -7.269 -16.724 1.00 0.00 H new ATOM 771 N VAL A 50 5.248 -4.906 -10.289 1.00 0.00 N ATOM 772 CA VAL A 50 4.307 -3.813 -10.079 1.00 0.00 C ATOM 773 C VAL A 50 4.459 -3.216 -8.684 1.00 0.00 C ATOM 774 O VAL A 50 4.485 -1.996 -8.520 1.00 0.00 O ATOM 775 CB VAL A 50 2.852 -4.282 -10.268 1.00 0.00 C ATOM 776 CG1 VAL A 50 1.885 -3.285 -9.648 1.00 0.00 C ATOM 777 CG2 VAL A 50 2.546 -4.485 -11.744 1.00 0.00 C ATOM 0 H VAL A 50 4.847 -5.836 -10.170 1.00 0.00 H new ATOM 0 HA VAL A 50 4.536 -3.051 -10.824 1.00 0.00 H new ATOM 0 HB VAL A 50 2.728 -5.238 -9.759 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.862 -3.633 -9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.091 -3.193 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.008 -2.313 -10.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.514 -4.816 -11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.687 -3.545 -12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.217 -5.239 -12.154 1.00 0.00 H new ATOM 787 N ILE A 51 4.561 -4.084 -7.683 1.00 0.00 N ATOM 788 CA ILE A 51 4.713 -3.643 -6.302 1.00 0.00 C ATOM 789 C ILE A 51 6.051 -2.942 -6.093 1.00 0.00 C ATOM 790 O ILE A 51 6.102 -1.799 -5.637 1.00 0.00 O ATOM 791 CB ILE A 51 4.605 -4.823 -5.319 1.00 0.00 C ATOM 792 CG1 ILE A 51 3.268 -5.545 -5.498 1.00 0.00 C ATOM 793 CG2 ILE A 51 4.761 -4.335 -3.886 1.00 0.00 C ATOM 794 CD1 ILE A 51 3.161 -6.826 -4.702 1.00 0.00 C ATOM 0 H ILE A 51 4.541 -5.097 -7.803 1.00 0.00 H new ATOM 0 HA ILE A 51 3.903 -2.941 -6.104 1.00 0.00 H new ATOM 0 HB ILE A 51 5.409 -5.528 -5.532 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.460 -4.875 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.125 -5.771 -6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.682 -5.181 -3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.736 -3.862 -3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.977 -3.612 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.187 -7.283 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.947 -7.514 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.272 -6.605 -3.640 1.00 0.00 H new ATOM 806 N LYS A 52 7.134 -3.633 -6.432 1.00 0.00 N ATOM 807 CA LYS A 52 8.474 -3.078 -6.285 1.00 0.00 C ATOM 808 C LYS A 52 8.571 -1.708 -6.949 1.00 0.00 C ATOM 809 O LYS A 52 9.186 -0.788 -6.411 1.00 0.00 O ATOM 810 CB LYS A 52 9.511 -4.026 -6.892 1.00 0.00 C ATOM 811 CG LYS A 52 9.936 -5.142 -5.954 1.00 0.00 C ATOM 812 CD LYS A 52 11.019 -6.009 -6.576 1.00 0.00 C ATOM 813 CE LYS A 52 12.400 -5.407 -6.373 1.00 0.00 C ATOM 814 NZ LYS A 52 13.409 -6.014 -7.285 1.00 0.00 N ATOM 0 H LYS A 52 7.110 -4.580 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 52 8.677 -2.962 -5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.102 -4.464 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.391 -3.451 -7.182 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.302 -4.715 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.072 -5.759 -5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.987 -7.005 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.825 -6.126 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.356 -4.331 -6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.711 -5.553 -5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.337 -5.577 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.470 -7.036 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.126 -5.853 -8.273 1.00 0.00 H new ATOM 828 N HIS A 53 7.958 -1.580 -8.122 1.00 0.00 N ATOM 829 CA HIS A 53 7.974 -0.321 -8.859 1.00 0.00 C ATOM 830 C HIS A 53 7.178 0.751 -8.120 1.00 0.00 C ATOM 831 O HIS A 53 7.709 1.809 -7.784 1.00 0.00 O ATOM 832 CB HIS A 53 7.402 -0.521 -10.263 1.00 0.00 C ATOM 833 CG HIS A 53 6.872 0.738 -10.878 1.00 0.00 C ATOM 834 ND1 HIS A 53 5.763 1.462 -10.597 1.00 0.00 N flip ATOM 835 CD2 HIS A 53 7.502 1.391 -11.916 1.00 0.00 C flip ATOM 836 CE1 HIS A 53 5.744 2.529 -11.460 1.00 0.00 C flip ATOM 837 NE2 HIS A 53 6.804 2.464 -12.246 1.00 0.00 N flip ATOM 0 H HIS A 53 7.445 -2.332 -8.582 1.00 0.00 H new ATOM 0 HA HIS A 53 9.009 0.011 -8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.179 -0.932 -10.908 1.00 0.00 H new ATOM 0 HB3 HIS A 53 6.601 -1.259 -10.219 1.00 0.00 H new ATOM 0 HD2 HIS A 53 8.422 1.075 -12.386 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.986 3.297 -11.492 1.00 0.00 H new ATOM 0 HE2 HIS A 53 7.043 3.129 -12.982 1.00 0.00 H new ATOM 846 N TRP A 54 5.904 0.469 -7.873 1.00 0.00 N ATOM 847 CA TRP A 54 5.035 1.410 -7.175 1.00 0.00 C ATOM 848 C TRP A 54 5.760 2.047 -5.994 1.00 0.00 C ATOM 849 O TRP A 54 5.677 3.257 -5.781 1.00 0.00 O ATOM 850 CB TRP A 54 3.768 0.704 -6.691 1.00 0.00 C ATOM 851 CG TRP A 54 2.887 1.575 -5.849 1.00 0.00 C ATOM 852 CD1 TRP A 54 1.785 2.270 -6.261 1.00 0.00 C ATOM 853 CD2 TRP A 54 3.034 1.847 -4.451 1.00 0.00 C ATOM 854 NE1 TRP A 54 1.239 2.957 -5.204 1.00 0.00 N ATOM 855 CE2 TRP A 54 1.986 2.713 -4.081 1.00 0.00 C ATOM 856 CE3 TRP A 54 3.948 1.441 -3.474 1.00 0.00 C ATOM 857 CZ2 TRP A 54 1.831 3.179 -2.779 1.00 0.00 C ATOM 858 CZ3 TRP A 54 3.792 1.904 -2.182 1.00 0.00 C ATOM 859 CH2 TRP A 54 2.740 2.766 -1.843 1.00 0.00 C ATOM 0 H TRP A 54 5.450 -0.403 -8.145 1.00 0.00 H new ATOM 0 HA TRP A 54 4.758 2.198 -7.875 1.00 0.00 H new ATOM 0 HB2 TRP A 54 3.203 0.355 -7.555 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.050 -0.179 -6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.400 2.278 -7.270 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.412 3.552 -5.248 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.762 0.777 -3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.021 3.844 -2.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.493 1.597 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.645 3.111 -0.824 1.00 0.00 H new ATOM 870 N PHE A 55 6.470 1.225 -5.228 1.00 0.00 N ATOM 871 CA PHE A 55 7.208 1.709 -4.068 1.00 0.00 C ATOM 872 C PHE A 55 8.289 2.701 -4.486 1.00 0.00 C ATOM 873 O PHE A 55 8.515 3.708 -3.815 1.00 0.00 O ATOM 874 CB PHE A 55 7.840 0.536 -3.314 1.00 0.00 C ATOM 875 CG PHE A 55 6.953 -0.039 -2.248 1.00 0.00 C ATOM 876 CD1 PHE A 55 6.840 0.579 -1.013 1.00 0.00 C ATOM 877 CD2 PHE A 55 6.231 -1.199 -2.481 1.00 0.00 C ATOM 878 CE1 PHE A 55 6.024 0.052 -0.030 1.00 0.00 C ATOM 879 CE2 PHE A 55 5.413 -1.730 -1.502 1.00 0.00 C ATOM 880 CZ PHE A 55 5.310 -1.105 -0.275 1.00 0.00 C ATOM 0 H PHE A 55 6.550 0.221 -5.390 1.00 0.00 H new ATOM 0 HA PHE A 55 6.506 2.220 -3.409 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.094 -0.249 -4.026 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.773 0.868 -2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.396 1.484 -0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.309 -1.693 -3.438 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.945 0.544 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.854 -2.634 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.672 -1.520 0.492 1.00 0.00 H new ATOM 890 N ARG A 56 8.954 2.409 -5.598 1.00 0.00 N ATOM 891 CA ARG A 56 10.013 3.274 -6.106 1.00 0.00 C ATOM 892 C ARG A 56 9.433 4.562 -6.681 1.00 0.00 C ATOM 893 O ARG A 56 9.806 5.660 -6.271 1.00 0.00 O ATOM 894 CB ARG A 56 10.827 2.545 -7.176 1.00 0.00 C ATOM 895 CG ARG A 56 12.203 3.147 -7.410 1.00 0.00 C ATOM 896 CD ARG A 56 12.154 4.268 -8.436 1.00 0.00 C ATOM 897 NE ARG A 56 13.486 4.774 -8.758 1.00 0.00 N ATOM 898 CZ ARG A 56 13.722 5.665 -9.714 1.00 0.00 C ATOM 899 NH1 ARG A 56 12.721 6.146 -10.438 1.00 0.00 N ATOM 900 NH2 ARG A 56 14.961 6.076 -9.948 1.00 0.00 N ATOM 0 H ARG A 56 8.779 1.580 -6.165 1.00 0.00 H new ATOM 0 HA ARG A 56 10.669 3.531 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.941 1.501 -6.885 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.271 2.556 -8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 56 12.598 3.530 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.888 2.370 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.674 3.906 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.539 5.083 -8.054 1.00 0.00 H new ATOM 0 HE ARG A 56 14.278 4.424 -8.219 1.00 0.00 H new ATOM 0 HH11 ARG A 56 11.767 5.832 -10.261 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.905 6.830 -11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.734 5.708 -9.393 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.141 6.760 -10.683 1.00 0.00 H new ATOM 914 N ASN A 57 8.518 4.419 -7.635 1.00 0.00 N ATOM 915 CA ASN A 57 7.888 5.571 -8.268 1.00 0.00 C ATOM 916 C ASN A 57 7.265 6.493 -7.224 1.00 0.00 C ATOM 917 O ASN A 57 7.348 7.717 -7.330 1.00 0.00 O ATOM 918 CB ASN A 57 6.819 5.112 -9.262 1.00 0.00 C ATOM 919 CG ASN A 57 6.062 6.274 -9.876 1.00 0.00 C ATOM 920 OD1 ASN A 57 6.584 6.984 -10.736 1.00 0.00 O ATOM 921 ND2 ASN A 57 4.825 6.473 -9.435 1.00 0.00 N ATOM 0 H ASN A 57 8.197 3.517 -7.986 1.00 0.00 H new ATOM 0 HA ASN A 57 8.658 6.126 -8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.290 4.530 -10.054 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.116 4.451 -8.755 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.267 7.240 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.433 5.859 -8.721 1.00 0.00 H new ATOM 928 N THR A 58 6.640 5.896 -6.214 1.00 0.00 N ATOM 929 CA THR A 58 6.002 6.662 -5.150 1.00 0.00 C ATOM 930 C THR A 58 7.039 7.267 -4.211 1.00 0.00 C ATOM 931 O THR A 58 7.050 8.476 -3.977 1.00 0.00 O ATOM 932 CB THR A 58 5.033 5.788 -4.332 1.00 0.00 C ATOM 933 OG1 THR A 58 4.081 5.166 -5.202 1.00 0.00 O ATOM 934 CG2 THR A 58 4.305 6.620 -3.287 1.00 0.00 C ATOM 0 H THR A 58 6.562 4.884 -6.110 1.00 0.00 H new ATOM 0 HA THR A 58 5.440 7.463 -5.630 1.00 0.00 H new ATOM 0 HB THR A 58 5.614 5.020 -3.822 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.540 4.526 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.626 5.981 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.031 7.068 -2.609 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.735 7.407 -3.781 1.00 0.00 H new ATOM 942 N LEU A 59 7.910 6.419 -3.674 1.00 0.00 N ATOM 943 CA LEU A 59 8.953 6.871 -2.760 1.00 0.00 C ATOM 944 C LEU A 59 9.821 7.944 -3.410 1.00 0.00 C ATOM 945 O LEU A 59 9.892 9.075 -2.930 1.00 0.00 O ATOM 946 CB LEU A 59 9.823 5.691 -2.324 1.00 0.00 C ATOM 947 CG LEU A 59 10.994 6.025 -1.399 1.00 0.00 C ATOM 948 CD1 LEU A 59 10.509 6.208 0.031 1.00 0.00 C ATOM 949 CD2 LEU A 59 12.056 4.937 -1.468 1.00 0.00 C ATOM 0 H LEU A 59 7.914 5.415 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 59 8.470 7.303 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.186 4.962 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.218 5.208 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 59 11.440 6.962 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.356 6.445 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 59 9.786 7.022 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.037 5.288 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.882 5.192 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.623 3.985 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.426 4.854 -2.490 1.00 0.00 H new ATOM 961 N PHE A 60 10.478 7.581 -4.507 1.00 0.00 N ATOM 962 CA PHE A 60 11.340 8.513 -5.225 1.00 0.00 C ATOM 963 C PHE A 60 10.657 9.867 -5.392 1.00 0.00 C ATOM 964 O PHE A 60 11.287 10.915 -5.245 1.00 0.00 O ATOM 965 CB PHE A 60 11.711 7.944 -6.596 1.00 0.00 C ATOM 966 CG PHE A 60 13.052 8.403 -7.093 1.00 0.00 C ATOM 967 CD1 PHE A 60 13.190 9.631 -7.721 1.00 0.00 C ATOM 968 CD2 PHE A 60 14.175 7.608 -6.931 1.00 0.00 C ATOM 969 CE1 PHE A 60 14.422 10.056 -8.179 1.00 0.00 C ATOM 970 CE2 PHE A 60 15.410 8.028 -7.387 1.00 0.00 C ATOM 971 CZ PHE A 60 15.534 9.254 -8.011 1.00 0.00 C ATOM 0 H PHE A 60 10.430 6.649 -4.918 1.00 0.00 H new ATOM 0 HA PHE A 60 12.248 8.654 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.706 6.855 -6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 60 10.947 8.231 -7.318 1.00 0.00 H new ATOM 0 HD1 PHE A 60 12.324 10.263 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 60 14.084 6.649 -6.443 1.00 0.00 H new ATOM 0 HE1 PHE A 60 14.516 11.014 -8.668 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.277 7.398 -7.256 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.499 9.585 -8.367 1.00 0.00 H new ATOM 981 N LYS A 61 9.365 9.838 -5.700 1.00 0.00 N ATOM 982 CA LYS A 61 8.595 11.062 -5.886 1.00 0.00 C ATOM 983 C LYS A 61 8.539 11.872 -4.594 1.00 0.00 C ATOM 984 O LYS A 61 8.512 13.101 -4.623 1.00 0.00 O ATOM 985 CB LYS A 61 7.176 10.730 -6.354 1.00 0.00 C ATOM 986 CG LYS A 61 6.463 11.899 -7.010 1.00 0.00 C ATOM 987 CD LYS A 61 5.020 11.557 -7.343 1.00 0.00 C ATOM 988 CE LYS A 61 4.088 11.889 -6.188 1.00 0.00 C ATOM 989 NZ LYS A 61 3.736 13.336 -6.158 1.00 0.00 N ATOM 0 H LYS A 61 8.829 8.980 -5.826 1.00 0.00 H new ATOM 0 HA LYS A 61 9.092 11.662 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.220 9.900 -7.059 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.590 10.391 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.489 12.762 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.990 12.183 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.710 12.107 -8.232 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.942 10.496 -7.582 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.178 11.295 -6.274 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.563 11.611 -5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.100 13.522 -5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.602 13.902 -6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.260 13.596 -7.046 1.00 0.00 H new ATOM 1003 N GLU A 62 8.523 11.173 -3.464 1.00 0.00 N ATOM 1004 CA GLU A 62 8.470 11.828 -2.162 1.00 0.00 C ATOM 1005 C GLU A 62 9.826 12.428 -1.800 1.00 0.00 C ATOM 1006 O GLU A 62 9.902 13.490 -1.182 1.00 0.00 O ATOM 1007 CB GLU A 62 8.036 10.835 -1.083 1.00 0.00 C ATOM 1008 CG GLU A 62 6.553 10.506 -1.120 1.00 0.00 C ATOM 1009 CD GLU A 62 6.185 9.365 -0.192 1.00 0.00 C ATOM 1010 OE1 GLU A 62 6.343 9.523 1.036 1.00 0.00 O ATOM 1011 OE2 GLU A 62 5.738 8.312 -0.695 1.00 0.00 O ATOM 0 H GLU A 62 8.546 10.154 -3.423 1.00 0.00 H new ATOM 0 HA GLU A 62 7.738 12.634 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.607 9.914 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.285 11.244 -0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.981 11.392 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.268 10.247 -2.139 1.00 0.00 H new ATOM 1018 N ARG A 63 10.894 11.740 -2.190 1.00 0.00 N ATOM 1019 CA ARG A 63 12.247 12.202 -1.905 1.00 0.00 C ATOM 1020 C ARG A 63 12.636 13.348 -2.835 1.00 0.00 C ATOM 1021 O ARG A 63 13.383 14.247 -2.448 1.00 0.00 O ATOM 1022 CB ARG A 63 13.244 11.051 -2.052 1.00 0.00 C ATOM 1023 CG ARG A 63 13.014 9.917 -1.066 1.00 0.00 C ATOM 1024 CD ARG A 63 14.311 9.197 -0.733 1.00 0.00 C ATOM 1025 NE ARG A 63 14.073 7.917 -0.071 1.00 0.00 N ATOM 1026 CZ ARG A 63 15.040 7.158 0.431 1.00 0.00 C ATOM 1027 NH1 ARG A 63 16.304 7.548 0.348 1.00 0.00 N ATOM 1028 NH2 ARG A 63 14.743 6.006 1.018 1.00 0.00 N ATOM 0 H ARG A 63 10.848 10.860 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 63 12.272 12.565 -0.878 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.184 10.657 -3.067 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.255 11.437 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.571 10.312 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.300 9.208 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.879 9.031 -1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.922 9.830 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 63 13.111 7.588 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 63 16.536 8.433 -0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 63 17.045 6.963 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 63 13.771 5.703 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.486 5.423 1.403 1.00 0.00 H new ATOM 1042 N GLN A 64 12.126 13.308 -4.061 1.00 0.00 N ATOM 1043 CA GLN A 64 12.421 14.342 -5.046 1.00 0.00 C ATOM 1044 C GLN A 64 11.512 15.551 -4.855 1.00 0.00 C ATOM 1045 O GLN A 64 11.960 16.695 -4.931 1.00 0.00 O ATOM 1046 CB GLN A 64 12.262 13.788 -6.463 1.00 0.00 C ATOM 1047 CG GLN A 64 10.830 13.413 -6.812 1.00 0.00 C ATOM 1048 CD GLN A 64 10.031 14.588 -7.339 1.00 0.00 C ATOM 1049 OE1 GLN A 64 10.496 15.728 -7.320 1.00 0.00 O ATOM 1050 NE2 GLN A 64 8.821 14.317 -7.813 1.00 0.00 N ATOM 0 H GLN A 64 11.506 12.571 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 64 13.454 14.660 -4.902 1.00 0.00 H new ATOM 0 HB2 GLN A 64 12.619 14.531 -7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.897 12.909 -6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 64 10.838 12.620 -7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.337 13.012 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.475 13.357 -7.810 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.237 15.068 -8.181 1.00 0.00 H new ATOM 1059 N SER A 65 10.233 15.290 -4.607 1.00 0.00 N ATOM 1060 CA SER A 65 9.259 16.358 -4.409 1.00 0.00 C ATOM 1061 C SER A 65 9.859 17.495 -3.589 1.00 0.00 C ATOM 1062 O SER A 65 10.564 17.264 -2.607 1.00 0.00 O ATOM 1063 CB SER A 65 8.010 15.815 -3.712 1.00 0.00 C ATOM 1064 OG SER A 65 7.191 16.870 -3.239 1.00 0.00 O ATOM 0 H SER A 65 9.846 14.349 -4.538 1.00 0.00 H new ATOM 0 HA SER A 65 8.980 16.748 -5.388 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.444 15.194 -4.406 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.303 15.176 -2.879 1.00 0.00 H new ATOM 0 HG SER A 65 6.399 16.497 -2.799 1.00 0.00 H new ATOM 1070 N GLY A 66 9.574 18.728 -4.000 1.00 0.00 N ATOM 1071 CA GLY A 66 10.094 19.884 -3.294 1.00 0.00 C ATOM 1072 C GLY A 66 10.507 21.000 -4.233 1.00 0.00 C ATOM 1073 O GLY A 66 10.354 20.903 -5.451 1.00 0.00 O ATOM 0 H GLY A 66 8.992 18.946 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.336 20.256 -2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.952 19.583 -2.693 1.00 0.00 H new ATOM 1077 N PRO A 67 11.042 22.090 -3.664 1.00 0.00 N ATOM 1078 CA PRO A 67 11.488 23.250 -4.440 1.00 0.00 C ATOM 1079 C PRO A 67 12.734 22.950 -5.267 1.00 0.00 C ATOM 1080 O PRO A 67 13.757 22.522 -4.733 1.00 0.00 O ATOM 1081 CB PRO A 67 11.798 24.297 -3.367 1.00 0.00 C ATOM 1082 CG PRO A 67 12.112 23.506 -2.145 1.00 0.00 C ATOM 1083 CD PRO A 67 11.254 22.273 -2.218 1.00 0.00 C ATOM 0 HA PRO A 67 10.737 23.570 -5.163 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.639 24.926 -3.659 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.948 24.959 -3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.170 23.244 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.896 24.079 -1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.750 21.411 -1.772 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.311 22.407 -1.687 1.00 0.00 H new ATOM 1091 N SER A 68 12.641 23.179 -6.573 1.00 0.00 N ATOM 1092 CA SER A 68 13.760 22.930 -7.475 1.00 0.00 C ATOM 1093 C SER A 68 14.687 24.140 -7.537 1.00 0.00 C ATOM 1094 O SER A 68 14.254 25.253 -7.837 1.00 0.00 O ATOM 1095 CB SER A 68 13.248 22.592 -8.876 1.00 0.00 C ATOM 1096 OG SER A 68 14.323 22.369 -9.772 1.00 0.00 O ATOM 0 H SER A 68 11.802 23.537 -7.030 1.00 0.00 H new ATOM 0 HA SER A 68 14.325 22.081 -7.089 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.617 21.704 -8.832 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.626 23.407 -9.246 1.00 0.00 H new ATOM 0 HG SER A 68 13.969 22.153 -10.660 1.00 0.00 H new ATOM 1102 N SER A 69 15.965 23.914 -7.252 1.00 0.00 N ATOM 1103 CA SER A 69 16.954 24.985 -7.272 1.00 0.00 C ATOM 1104 C SER A 69 17.699 25.012 -8.603 1.00 0.00 C ATOM 1105 O SER A 69 17.828 26.060 -9.234 1.00 0.00 O ATOM 1106 CB SER A 69 17.947 24.812 -6.121 1.00 0.00 C ATOM 1107 OG SER A 69 18.902 25.859 -6.111 1.00 0.00 O ATOM 0 H SER A 69 16.340 22.998 -7.004 1.00 0.00 H new ATOM 0 HA SER A 69 16.430 25.933 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.410 24.796 -5.172 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.455 23.852 -6.216 1.00 0.00 H new ATOM 0 HG SER A 69 19.524 25.727 -5.366 1.00 0.00 H new ATOM 1113 N GLY A 70 18.190 23.850 -9.023 1.00 0.00 N ATOM 1114 CA GLY A 70 18.917 23.760 -10.276 1.00 0.00 C ATOM 1115 C GLY A 70 20.280 23.119 -10.111 1.00 0.00 C ATOM 1116 O GLY A 70 21.120 23.615 -9.359 1.00 0.00 O ATOM 0 H GLY A 70 18.097 22.969 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.332 23.182 -10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.037 24.759 -10.695 1.00 0.00 H new TER 1120 GLY A 70