USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 679 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 164:sc= -0.158 (180deg=-0.721) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -14.8! C(o=-18!,f=-24!) USER MOD Set 2.2: A 30 HIS :FLIP no HD1:sc= -3.29 F(o=-19,f=-18) USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 44 CYS SG : rot 114:sc= -6.03! USER MOD Set 4.1: A 12 MET CE :methyl 152:sc= -0.799 (180deg=-3.82!) USER MOD Set 4.2: A 20 GLN : amide:sc= -0.682 X(o=-1.5,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.116) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.123 USER MOD Single : A 14 SER OG : rot 180:sc= -0.0303 USER MOD Single : A 15 TYR OH : rot 178:sc= -1.88 USER MOD Single : A 21 THR OG1 : rot 91:sc= 1.26 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 170:sc= 0.0112 USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.287) USER MOD Single : A 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0254) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 177:sc= -0.883 (180deg=-0.895) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= -4.38! (180deg=-4.74!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 132:sc= -0.573 (180deg=-0.832) USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -0.148 (180deg=-0.893) USER MOD Single : A 67 LYS NZ :NH3+ 160:sc= -0.0691 (180deg=-0.51) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -112:sc= -0.149 (180deg=-0.623) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -51:sc= 0.698 USER MOD Single : A 77 TYR OH : rot -173:sc= 0.804 USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= -0.177 (180deg=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.980 -19.255 13.743 1.00 0.00 N ATOM 2 CA GLY A 1 -5.827 -18.208 13.109 1.00 0.00 C ATOM 3 C GLY A 1 -7.279 -18.686 13.021 1.00 0.00 C ATOM 4 O GLY A 1 -7.773 -18.982 11.951 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.997 -18.920 13.798 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.332 -19.453 14.701 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.018 -20.124 13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.774 -17.286 13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.450 -17.979 12.112 1.00 0.00 H new ATOM 10 N LYS A 2 -7.932 -18.754 14.151 1.00 0.00 N ATOM 11 CA LYS A 2 -9.344 -19.210 14.147 1.00 0.00 C ATOM 12 C LYS A 2 -10.255 -18.127 13.564 1.00 0.00 C ATOM 13 O LYS A 2 -10.238 -17.880 12.374 1.00 0.00 O ATOM 14 CB LYS A 2 -9.767 -19.497 15.601 1.00 0.00 C ATOM 15 CG LYS A 2 -9.151 -20.822 16.059 1.00 0.00 C ATOM 16 CD LYS A 2 -9.250 -20.916 17.584 1.00 0.00 C ATOM 17 CE LYS A 2 -8.743 -22.286 18.039 1.00 0.00 C ATOM 18 NZ LYS A 2 -9.743 -23.344 17.719 1.00 0.00 N ATOM 0 H LYS A 2 -7.550 -18.515 15.066 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.433 -20.108 13.535 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.440 -18.687 16.253 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.854 -19.545 15.672 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.672 -21.660 15.595 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.109 -20.881 15.745 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -8.661 -20.125 18.048 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.283 -20.773 17.903 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.796 -22.512 17.548 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.550 -22.271 19.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.504 -24.215 18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.691 -23.023 18.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.733 -23.533 16.696 1.00 0.00 H new ATOM 32 N GLY A 3 -11.032 -17.500 14.413 1.00 0.00 N ATOM 33 CA GLY A 3 -11.950 -16.430 13.918 1.00 0.00 C ATOM 34 C GLY A 3 -12.830 -16.963 12.787 1.00 0.00 C ATOM 35 O GLY A 3 -13.246 -18.105 12.808 1.00 0.00 O ATOM 0 H GLY A 3 -11.070 -17.681 15.416 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.575 -16.072 14.736 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -11.369 -15.578 13.564 1.00 0.00 H new ATOM 39 N ASP A 4 -13.097 -16.116 11.816 1.00 0.00 N ATOM 40 CA ASP A 4 -13.949 -16.544 10.671 1.00 0.00 C ATOM 41 C ASP A 4 -13.101 -17.310 9.624 1.00 0.00 C ATOM 42 O ASP A 4 -11.916 -17.068 9.510 1.00 0.00 O ATOM 43 CB ASP A 4 -14.514 -15.278 10.009 1.00 0.00 C ATOM 44 CG ASP A 4 -15.621 -14.701 10.891 1.00 0.00 C ATOM 45 OD1 ASP A 4 -15.258 -14.053 11.859 1.00 0.00 O ATOM 46 OD2 ASP A 4 -16.766 -14.939 10.547 1.00 0.00 O ATOM 0 H ASP A 4 -12.761 -15.154 11.773 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.745 -17.198 11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.722 -14.542 9.870 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.907 -15.515 9.020 1.00 0.00 H new ATOM 51 N PRO A 5 -13.722 -18.227 8.867 1.00 0.00 N ATOM 52 CA PRO A 5 -12.982 -18.989 7.858 1.00 0.00 C ATOM 53 C PRO A 5 -12.437 -18.060 6.745 1.00 0.00 C ATOM 54 O PRO A 5 -13.106 -17.786 5.768 1.00 0.00 O ATOM 55 CB PRO A 5 -14.023 -20.011 7.283 1.00 0.00 C ATOM 56 CG PRO A 5 -15.422 -19.598 7.850 1.00 0.00 C ATOM 57 CD PRO A 5 -15.163 -18.565 8.979 1.00 0.00 C ATOM 0 HA PRO A 5 -12.110 -19.488 8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.026 -19.989 6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.770 -21.029 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -16.044 -19.166 7.066 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.954 -20.467 8.236 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.787 -17.680 8.855 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.395 -18.984 9.958 1.00 0.00 H new ATOM 65 N LYS A 6 -11.228 -17.586 6.943 1.00 0.00 N ATOM 66 CA LYS A 6 -10.599 -16.677 5.932 1.00 0.00 C ATOM 67 C LYS A 6 -11.540 -15.549 5.503 1.00 0.00 C ATOM 68 O LYS A 6 -11.885 -15.436 4.344 1.00 0.00 O ATOM 69 CB LYS A 6 -10.238 -17.513 4.690 1.00 0.00 C ATOM 70 CG LYS A 6 -9.419 -18.734 5.125 1.00 0.00 C ATOM 71 CD LYS A 6 -8.954 -19.518 3.879 1.00 0.00 C ATOM 72 CE LYS A 6 -7.989 -18.654 3.036 1.00 0.00 C ATOM 73 NZ LYS A 6 -7.022 -19.521 2.305 1.00 0.00 N ATOM 0 H LYS A 6 -10.651 -17.789 7.760 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.718 -16.223 6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.144 -17.833 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.667 -16.910 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.556 -18.416 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.020 -19.377 5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.457 -20.439 4.184 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.817 -19.805 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.556 -18.051 2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.450 -17.962 3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.380 -18.927 1.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.470 -20.078 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.541 -20.164 1.673 1.00 0.00 H new ATOM 87 N LYS A 7 -11.934 -14.735 6.438 1.00 0.00 N ATOM 88 CA LYS A 7 -12.844 -13.623 6.089 1.00 0.00 C ATOM 89 C LYS A 7 -12.194 -12.716 5.014 1.00 0.00 C ATOM 90 O LYS A 7 -10.984 -12.659 4.916 1.00 0.00 O ATOM 91 CB LYS A 7 -13.090 -12.789 7.375 1.00 0.00 C ATOM 92 CG LYS A 7 -11.794 -12.756 8.227 1.00 0.00 C ATOM 93 CD LYS A 7 -11.747 -11.457 9.041 1.00 0.00 C ATOM 94 CE LYS A 7 -12.931 -11.427 10.008 1.00 0.00 C ATOM 95 NZ LYS A 7 -12.742 -10.353 11.024 1.00 0.00 N ATOM 0 H LYS A 7 -11.666 -14.793 7.420 1.00 0.00 H new ATOM 0 HA LYS A 7 -13.779 -14.019 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.390 -11.775 7.111 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.906 -13.223 7.952 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.764 -13.617 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.919 -12.824 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.809 -11.393 9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.784 -10.595 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.856 -11.257 9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.029 -12.393 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.553 -10.344 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.870 -10.533 11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.671 -9.432 10.546 1.00 0.00 H new ATOM 109 N PRO A 8 -13.019 -12.019 4.221 1.00 0.00 N ATOM 110 CA PRO A 8 -12.501 -11.132 3.174 1.00 0.00 C ATOM 111 C PRO A 8 -11.397 -10.205 3.709 1.00 0.00 C ATOM 112 O PRO A 8 -11.496 -9.702 4.806 1.00 0.00 O ATOM 113 CB PRO A 8 -13.745 -10.297 2.708 1.00 0.00 C ATOM 114 CG PRO A 8 -15.003 -10.922 3.410 1.00 0.00 C ATOM 115 CD PRO A 8 -14.495 -12.073 4.318 1.00 0.00 C ATOM 0 HA PRO A 8 -12.046 -11.696 2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.631 -9.248 2.982 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.850 -10.333 1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.528 -10.170 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.709 -11.298 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.827 -11.939 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.877 -13.037 3.983 1.00 0.00 H new ATOM 123 N ARG A 9 -10.358 -10.033 2.903 1.00 0.00 N ATOM 124 CA ARG A 9 -9.201 -9.155 3.282 1.00 0.00 C ATOM 125 C ARG A 9 -9.147 -7.991 2.315 1.00 0.00 C ATOM 126 O ARG A 9 -8.230 -7.846 1.528 1.00 0.00 O ATOM 127 CB ARG A 9 -7.922 -9.999 3.166 1.00 0.00 C ATOM 128 CG ARG A 9 -6.765 -9.270 3.842 1.00 0.00 C ATOM 129 CD ARG A 9 -5.471 -10.054 3.594 1.00 0.00 C ATOM 130 NE ARG A 9 -5.766 -11.508 3.744 1.00 0.00 N ATOM 131 CZ ARG A 9 -4.968 -12.393 3.208 1.00 0.00 C ATOM 132 NH1 ARG A 9 -3.917 -11.989 2.549 1.00 0.00 N ATOM 133 NH2 ARG A 9 -5.262 -13.658 3.342 1.00 0.00 N ATOM 0 H ARG A 9 -10.269 -10.474 1.987 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.303 -8.771 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.073 -10.973 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.688 -10.180 2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.674 -8.258 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.951 -9.178 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.087 -9.846 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.701 -9.748 4.302 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.589 -11.811 4.264 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.725 -10.991 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.287 -12.671 2.126 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.098 -13.936 3.856 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.655 -14.369 2.933 1.00 0.00 H new ATOM 147 N GLY A 10 -10.151 -7.181 2.400 1.00 0.00 N ATOM 148 CA GLY A 10 -10.232 -6.004 1.513 1.00 0.00 C ATOM 149 C GLY A 10 -9.374 -4.833 1.995 1.00 0.00 C ATOM 150 O GLY A 10 -8.177 -4.812 1.809 1.00 0.00 O ATOM 0 H GLY A 10 -10.928 -7.285 3.053 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.917 -6.290 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.271 -5.681 1.441 1.00 0.00 H new ATOM 154 N LYS A 11 -10.048 -3.893 2.597 1.00 0.00 N ATOM 155 CA LYS A 11 -9.400 -2.652 3.141 1.00 0.00 C ATOM 156 C LYS A 11 -7.974 -2.841 3.728 1.00 0.00 C ATOM 157 O LYS A 11 -7.800 -2.945 4.911 1.00 0.00 O ATOM 158 CB LYS A 11 -10.347 -2.046 4.241 1.00 0.00 C ATOM 159 CG LYS A 11 -11.067 -3.149 5.088 1.00 0.00 C ATOM 160 CD LYS A 11 -10.147 -3.666 6.223 1.00 0.00 C ATOM 161 CE LYS A 11 -10.991 -4.249 7.367 1.00 0.00 C ATOM 162 NZ LYS A 11 -10.232 -5.318 8.075 1.00 0.00 N ATOM 0 H LYS A 11 -11.057 -3.930 2.742 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.263 -1.983 2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.765 -1.406 4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.095 -1.414 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.984 -2.744 5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.355 -3.978 4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.472 -4.428 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.527 -2.852 6.598 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.261 -3.459 8.068 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.922 -4.655 6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.813 -5.704 8.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.996 -6.078 7.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.356 -4.919 8.468 1.00 0.00 H new ATOM 176 N MET A 12 -6.976 -2.835 2.860 1.00 0.00 N ATOM 177 CA MET A 12 -5.563 -3.004 3.333 1.00 0.00 C ATOM 178 C MET A 12 -4.960 -1.626 3.588 1.00 0.00 C ATOM 179 O MET A 12 -5.309 -0.686 2.923 1.00 0.00 O ATOM 180 CB MET A 12 -4.766 -3.731 2.218 1.00 0.00 C ATOM 181 CG MET A 12 -3.621 -4.534 2.858 1.00 0.00 C ATOM 182 SD MET A 12 -2.498 -5.422 1.753 1.00 0.00 S ATOM 183 CE MET A 12 -2.139 -4.046 0.637 1.00 0.00 C ATOM 0 H MET A 12 -7.084 -2.721 1.852 1.00 0.00 H new ATOM 0 HA MET A 12 -5.528 -3.586 4.254 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.424 -4.396 1.658 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.366 -3.007 1.509 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.026 -3.848 3.460 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.061 -5.259 3.542 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.148 -4.179 0.202 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.884 -4.019 -0.159 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.168 -3.109 1.193 1.00 0.00 H new ATOM 193 N SER A 13 -4.081 -1.532 4.559 1.00 0.00 N ATOM 194 CA SER A 13 -3.452 -0.205 4.864 1.00 0.00 C ATOM 195 C SER A 13 -2.938 0.477 3.589 1.00 0.00 C ATOM 196 O SER A 13 -2.352 -0.161 2.741 1.00 0.00 O ATOM 197 CB SER A 13 -2.266 -0.442 5.822 1.00 0.00 C ATOM 198 OG SER A 13 -2.699 -1.514 6.647 1.00 0.00 O ATOM 0 H SER A 13 -3.774 -2.307 5.148 1.00 0.00 H new ATOM 0 HA SER A 13 -4.201 0.445 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.358 -0.700 5.277 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.043 0.449 6.409 1.00 0.00 H new ATOM 0 HG SER A 13 -1.996 -1.734 7.293 1.00 0.00 H new ATOM 204 N SER A 14 -3.179 1.768 3.479 1.00 0.00 N ATOM 205 CA SER A 14 -2.717 2.499 2.279 1.00 0.00 C ATOM 206 C SER A 14 -1.229 2.296 2.094 1.00 0.00 C ATOM 207 O SER A 14 -0.719 2.363 0.992 1.00 0.00 O ATOM 208 CB SER A 14 -3.003 3.991 2.487 1.00 0.00 C ATOM 209 OG SER A 14 -2.197 4.354 3.599 1.00 0.00 O ATOM 0 H SER A 14 -3.673 2.332 4.171 1.00 0.00 H new ATOM 0 HA SER A 14 -3.236 2.129 1.395 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.744 4.572 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.060 4.169 2.687 1.00 0.00 H new ATOM 0 HG SER A 14 -2.323 5.305 3.797 1.00 0.00 H new ATOM 215 N TYR A 15 -0.551 2.064 3.185 1.00 0.00 N ATOM 216 CA TYR A 15 0.907 1.849 3.107 1.00 0.00 C ATOM 217 C TYR A 15 1.152 0.444 2.615 1.00 0.00 C ATOM 218 O TYR A 15 1.948 0.223 1.731 1.00 0.00 O ATOM 219 CB TYR A 15 1.524 2.010 4.520 1.00 0.00 C ATOM 220 CG TYR A 15 2.942 1.397 4.545 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.836 1.623 3.506 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.328 0.580 5.583 1.00 0.00 C ATOM 223 CE1 TYR A 15 5.078 1.038 3.513 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.575 -0.004 5.586 1.00 0.00 C ATOM 225 CZ TYR A 15 5.457 0.220 4.548 1.00 0.00 C ATOM 226 OH TYR A 15 6.680 -0.390 4.535 1.00 0.00 O ATOM 0 H TYR A 15 -0.950 2.016 4.122 1.00 0.00 H new ATOM 0 HA TYR A 15 1.361 2.573 2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.569 3.065 4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.893 1.519 5.261 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.551 2.265 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.648 0.396 6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.762 1.223 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.865 -0.643 6.407 1.00 0.00 H new ATOM 0 HH TYR A 15 6.797 -0.906 5.360 1.00 0.00 H new ATOM 236 N ALA A 16 0.479 -0.492 3.223 1.00 0.00 N ATOM 237 CA ALA A 16 0.658 -1.887 2.799 1.00 0.00 C ATOM 238 C ALA A 16 0.384 -1.989 1.316 1.00 0.00 C ATOM 239 O ALA A 16 0.911 -2.836 0.644 1.00 0.00 O ATOM 240 CB ALA A 16 -0.330 -2.767 3.555 1.00 0.00 C ATOM 0 H ALA A 16 -0.179 -0.343 3.988 1.00 0.00 H new ATOM 0 HA ALA A 16 1.677 -2.213 3.009 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.204 -3.805 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.147 -2.683 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.347 -2.444 3.334 1.00 0.00 H new ATOM 246 N PHE A 17 -0.465 -1.113 0.834 1.00 0.00 N ATOM 247 CA PHE A 17 -0.785 -1.138 -0.608 1.00 0.00 C ATOM 248 C PHE A 17 0.459 -0.761 -1.393 1.00 0.00 C ATOM 249 O PHE A 17 0.712 -1.283 -2.459 1.00 0.00 O ATOM 250 CB PHE A 17 -1.916 -0.083 -0.874 1.00 0.00 C ATOM 251 CG PHE A 17 -3.235 -0.772 -1.212 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.508 -1.166 -2.506 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.194 -0.957 -0.237 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.723 -1.734 -2.819 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.406 -1.524 -0.550 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.670 -1.911 -1.841 1.00 0.00 C ATOM 0 H PHE A 17 -0.940 -0.393 1.378 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.118 -2.130 -0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.045 0.547 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.622 0.572 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.765 -1.028 -3.277 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.990 -0.654 0.779 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.931 -2.040 -3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.151 -1.665 0.219 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.623 -2.355 -2.087 1.00 0.00 H new ATOM 266 N PHE A 18 1.210 0.144 -0.840 1.00 0.00 N ATOM 267 CA PHE A 18 2.445 0.584 -1.519 1.00 0.00 C ATOM 268 C PHE A 18 3.530 -0.467 -1.335 1.00 0.00 C ATOM 269 O PHE A 18 4.472 -0.518 -2.103 1.00 0.00 O ATOM 270 CB PHE A 18 2.886 1.945 -0.909 1.00 0.00 C ATOM 271 CG PHE A 18 4.348 2.242 -1.257 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.370 1.704 -0.500 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.665 3.066 -2.324 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.683 1.985 -0.802 1.00 0.00 C ATOM 275 CE2 PHE A 18 5.982 3.343 -2.622 1.00 0.00 C ATOM 276 CZ PHE A 18 6.987 2.802 -1.861 1.00 0.00 C ATOM 0 H PHE A 18 1.018 0.596 0.054 1.00 0.00 H new ATOM 0 HA PHE A 18 2.269 0.709 -2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.247 2.743 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.761 1.922 0.174 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.137 1.059 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.877 3.494 -2.926 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.476 1.561 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.223 3.986 -3.455 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.018 3.020 -2.096 1.00 0.00 H new ATOM 286 N VAL A 19 3.382 -1.300 -0.311 1.00 0.00 N ATOM 287 CA VAL A 19 4.400 -2.349 -0.076 1.00 0.00 C ATOM 288 C VAL A 19 4.149 -3.505 -0.972 1.00 0.00 C ATOM 289 O VAL A 19 5.053 -4.012 -1.562 1.00 0.00 O ATOM 290 CB VAL A 19 4.343 -2.843 1.390 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.335 -4.020 1.566 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.756 -1.692 2.322 1.00 0.00 C ATOM 0 H VAL A 19 2.606 -1.284 0.351 1.00 0.00 H new ATOM 0 HA VAL A 19 5.382 -1.921 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 19 3.333 -3.172 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.301 -4.374 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.058 -4.832 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.345 -3.683 1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.719 -2.031 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.770 -1.374 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.072 -0.854 2.190 1.00 0.00 H new ATOM 302 N GLN A 20 2.921 -3.920 -1.059 1.00 0.00 N ATOM 303 CA GLN A 20 2.639 -5.054 -1.931 1.00 0.00 C ATOM 304 C GLN A 20 3.020 -4.663 -3.340 1.00 0.00 C ATOM 305 O GLN A 20 3.316 -5.497 -4.178 1.00 0.00 O ATOM 306 CB GLN A 20 1.126 -5.430 -1.823 1.00 0.00 C ATOM 307 CG GLN A 20 0.307 -4.744 -2.924 1.00 0.00 C ATOM 308 CD GLN A 20 -1.177 -4.819 -2.576 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.665 -5.825 -2.100 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.925 -3.783 -2.801 1.00 0.00 N ATOM 0 H GLN A 20 2.121 -3.522 -0.567 1.00 0.00 H new ATOM 0 HA GLN A 20 3.215 -5.932 -1.638 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.010 -6.511 -1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.744 -5.137 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.615 -3.704 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.491 -5.227 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.518 -2.937 -3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.920 -3.814 -2.578 1.00 0.00 H new ATOM 319 N THR A 21 3.020 -3.371 -3.557 1.00 0.00 N ATOM 320 CA THR A 21 3.377 -2.845 -4.888 1.00 0.00 C ATOM 321 C THR A 21 4.875 -2.788 -5.005 1.00 0.00 C ATOM 322 O THR A 21 5.424 -2.922 -6.084 1.00 0.00 O ATOM 323 CB THR A 21 2.795 -1.429 -5.019 1.00 0.00 C ATOM 324 OG1 THR A 21 1.394 -1.605 -5.068 1.00 0.00 O ATOM 325 CG2 THR A 21 3.147 -0.799 -6.377 1.00 0.00 C ATOM 0 H THR A 21 2.786 -2.664 -2.860 1.00 0.00 H new ATOM 0 HA THR A 21 2.978 -3.486 -5.674 1.00 0.00 H new ATOM 0 HB THR A 21 3.170 -0.807 -4.206 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.027 -1.560 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.720 0.202 -6.435 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.230 -0.737 -6.480 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.741 -1.414 -7.180 1.00 0.00 H new ATOM 333 N SER A 22 5.520 -2.593 -3.875 1.00 0.00 N ATOM 334 CA SER A 22 7.004 -2.522 -3.874 1.00 0.00 C ATOM 335 C SER A 22 7.590 -3.919 -3.780 1.00 0.00 C ATOM 336 O SER A 22 8.709 -4.139 -4.156 1.00 0.00 O ATOM 337 CB SER A 22 7.452 -1.717 -2.642 1.00 0.00 C ATOM 338 OG SER A 22 8.850 -1.540 -2.832 1.00 0.00 O ATOM 0 H SER A 22 5.078 -2.482 -2.963 1.00 0.00 H new ATOM 0 HA SER A 22 7.347 -2.048 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.934 -0.760 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.240 -2.253 -1.717 1.00 0.00 H new ATOM 0 HG SER A 22 9.220 -1.029 -2.082 1.00 0.00 H new ATOM 344 N ARG A 23 6.787 -4.836 -3.295 1.00 0.00 N ATOM 345 CA ARG A 23 7.238 -6.255 -3.145 1.00 0.00 C ATOM 346 C ARG A 23 7.420 -6.925 -4.493 1.00 0.00 C ATOM 347 O ARG A 23 8.496 -7.392 -4.815 1.00 0.00 O ATOM 348 CB ARG A 23 6.149 -7.005 -2.346 1.00 0.00 C ATOM 349 CG ARG A 23 6.710 -8.313 -1.751 1.00 0.00 C ATOM 350 CD ARG A 23 5.844 -8.727 -0.543 1.00 0.00 C ATOM 351 NE ARG A 23 6.041 -10.182 -0.271 1.00 0.00 N ATOM 352 CZ ARG A 23 5.527 -11.065 -1.086 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.850 -10.650 -2.122 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.701 -12.333 -0.831 1.00 0.00 N ATOM 0 H ARG A 23 5.829 -4.659 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 23 8.200 -6.278 -2.633 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.775 -6.367 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.304 -7.229 -2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.707 -9.101 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.746 -8.172 -1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.119 -8.141 0.334 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.793 -8.522 -0.747 1.00 0.00 H new ATOM 0 HE ARG A 23 6.573 -10.485 0.545 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.729 -9.650 -2.285 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.442 -11.325 -2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.230 -12.620 -0.008 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.308 -13.037 -1.455 1.00 0.00 H new ATOM 368 N GLU A 24 6.367 -6.973 -5.247 1.00 0.00 N ATOM 369 CA GLU A 24 6.459 -7.612 -6.585 1.00 0.00 C ATOM 370 C GLU A 24 7.579 -6.963 -7.389 1.00 0.00 C ATOM 371 O GLU A 24 8.174 -7.582 -8.251 1.00 0.00 O ATOM 372 CB GLU A 24 5.108 -7.405 -7.318 1.00 0.00 C ATOM 373 CG GLU A 24 4.143 -8.532 -6.933 1.00 0.00 C ATOM 374 CD GLU A 24 3.968 -8.559 -5.412 1.00 0.00 C ATOM 375 OE1 GLU A 24 4.861 -9.089 -4.774 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.949 -8.050 -4.975 1.00 0.00 O ATOM 0 H GLU A 24 5.450 -6.601 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 24 6.672 -8.676 -6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.681 -6.438 -7.051 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.264 -7.397 -8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.179 -8.380 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.528 -9.490 -7.282 1.00 0.00 H new ATOM 383 N GLU A 25 7.844 -5.719 -7.078 1.00 0.00 N ATOM 384 CA GLU A 25 8.909 -4.987 -7.787 1.00 0.00 C ATOM 385 C GLU A 25 10.270 -5.330 -7.197 1.00 0.00 C ATOM 386 O GLU A 25 11.278 -5.284 -7.878 1.00 0.00 O ATOM 387 CB GLU A 25 8.639 -3.478 -7.608 1.00 0.00 C ATOM 388 CG GLU A 25 7.565 -3.037 -8.607 1.00 0.00 C ATOM 389 CD GLU A 25 7.353 -1.526 -8.491 1.00 0.00 C ATOM 390 OE1 GLU A 25 7.888 -0.973 -7.542 1.00 0.00 O ATOM 391 OE2 GLU A 25 6.668 -1.009 -9.357 1.00 0.00 O ATOM 0 H GLU A 25 7.359 -5.185 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 25 8.913 -5.261 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.311 -3.273 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.556 -2.911 -7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.868 -3.296 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.631 -3.563 -8.409 1.00 0.00 H new ATOM 398 N HIS A 26 10.259 -5.673 -5.933 1.00 0.00 N ATOM 399 CA HIS A 26 11.526 -6.032 -5.233 1.00 0.00 C ATOM 400 C HIS A 26 11.839 -7.515 -5.448 1.00 0.00 C ATOM 401 O HIS A 26 12.936 -7.953 -5.238 1.00 0.00 O ATOM 402 CB HIS A 26 11.305 -5.725 -3.709 1.00 0.00 C ATOM 403 CG HIS A 26 12.107 -6.655 -2.789 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.958 -6.273 -1.952 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.001 -8.016 -2.610 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.395 -7.240 -1.260 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.843 -8.397 -1.610 1.00 0.00 N ATOM 0 H HIS A 26 9.420 -5.719 -5.354 1.00 0.00 H new ATOM 0 HA HIS A 26 12.369 -5.460 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.587 -4.692 -3.507 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.244 -5.817 -3.475 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.261 -5.305 -1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.355 -8.674 -3.172 1.00 0.00 H new ATOM 0 HE1 HIS A 26 14.131 -7.136 -0.476 1.00 0.00 H new ATOM 415 N LYS A 27 10.870 -8.245 -5.913 1.00 0.00 N ATOM 416 CA LYS A 27 11.089 -9.692 -6.147 1.00 0.00 C ATOM 417 C LYS A 27 12.286 -9.951 -7.063 1.00 0.00 C ATOM 418 O LYS A 27 13.111 -10.795 -6.777 1.00 0.00 O ATOM 419 CB LYS A 27 9.834 -10.266 -6.820 1.00 0.00 C ATOM 420 CG LYS A 27 9.989 -11.784 -6.952 1.00 0.00 C ATOM 421 CD LYS A 27 8.651 -12.399 -7.392 1.00 0.00 C ATOM 422 CE LYS A 27 8.345 -11.995 -8.841 1.00 0.00 C ATOM 423 NZ LYS A 27 7.295 -12.882 -9.418 1.00 0.00 N ATOM 0 H LYS A 27 9.937 -7.902 -6.141 1.00 0.00 H new ATOM 0 HA LYS A 27 11.288 -10.165 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.948 -10.028 -6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.694 -9.815 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.766 -12.019 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.303 -12.212 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.695 -13.485 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.851 -12.061 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.012 -10.958 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.252 -12.057 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.099 -12.596 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.627 -13.867 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.425 -12.802 -8.854 1.00 0.00 H new ATOM 437 N LYS A 28 12.354 -9.209 -8.145 1.00 0.00 N ATOM 438 CA LYS A 28 13.492 -9.390 -9.114 1.00 0.00 C ATOM 439 C LYS A 28 14.700 -8.510 -8.775 1.00 0.00 C ATOM 440 O LYS A 28 15.819 -8.856 -9.108 1.00 0.00 O ATOM 441 CB LYS A 28 12.989 -8.989 -10.509 1.00 0.00 C ATOM 442 CG LYS A 28 11.972 -10.022 -10.991 1.00 0.00 C ATOM 443 CD LYS A 28 11.325 -9.519 -12.279 1.00 0.00 C ATOM 444 CE LYS A 28 10.531 -10.657 -12.915 1.00 0.00 C ATOM 445 NZ LYS A 28 9.894 -10.198 -14.178 1.00 0.00 N ATOM 0 H LYS A 28 11.677 -8.490 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 28 13.813 -10.431 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.532 -8.000 -10.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.824 -8.930 -11.207 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.462 -10.980 -11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.212 -10.187 -10.227 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.668 -8.675 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.089 -9.162 -12.969 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.191 -11.501 -13.118 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.767 -11.009 -12.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.357 -10.982 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.250 -9.407 -13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.629 -9.884 -14.843 1.00 0.00 H new ATOM 459 N LYS A 29 14.456 -7.397 -8.107 1.00 0.00 N ATOM 460 CA LYS A 29 15.580 -6.479 -7.740 1.00 0.00 C ATOM 461 C LYS A 29 16.234 -6.900 -6.397 1.00 0.00 C ATOM 462 O LYS A 29 17.203 -6.306 -5.967 1.00 0.00 O ATOM 463 CB LYS A 29 14.994 -5.034 -7.680 1.00 0.00 C ATOM 464 CG LYS A 29 16.057 -4.036 -7.169 1.00 0.00 C ATOM 465 CD LYS A 29 15.666 -2.594 -7.603 1.00 0.00 C ATOM 466 CE LYS A 29 16.203 -2.305 -9.020 1.00 0.00 C ATOM 467 NZ LYS A 29 15.374 -1.261 -9.691 1.00 0.00 N ATOM 0 H LYS A 29 13.531 -7.092 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 29 16.376 -6.526 -8.483 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.652 -4.733 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.125 -5.015 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.132 -4.093 -6.083 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.037 -4.295 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.582 -2.482 -7.586 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.072 -1.870 -6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.239 -1.973 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.195 -3.220 -9.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.749 -1.079 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 14.391 -1.592 -9.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.403 -0.383 -9.134 1.00 0.00 H new ATOM 481 N HIS A 30 15.680 -7.938 -5.775 1.00 0.00 N ATOM 482 CA HIS A 30 16.242 -8.441 -4.462 1.00 0.00 C ATOM 483 C HIS A 30 16.024 -9.969 -4.331 1.00 0.00 C ATOM 484 O HIS A 30 15.330 -10.419 -3.439 1.00 0.00 O ATOM 485 CB HIS A 30 15.484 -7.812 -3.282 1.00 0.00 C ATOM 486 CG HIS A 30 15.615 -6.296 -3.245 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.102 -5.358 -4.089 1.00 0.00 N flip ATOM 488 CD2 HIS A 30 16.180 -5.657 -2.337 1.00 0.00 C flip ATOM 489 CE1 HIS A 30 15.402 -4.115 -3.621 1.00 0.00 C flip ATOM 490 NE2 HIS A 30 16.077 -4.411 -2.515 1.00 0.00 N flip ATOM 0 H HIS A 30 14.869 -8.452 -6.120 1.00 0.00 H new ATOM 0 HA HIS A 30 17.301 -8.183 -4.446 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.430 -8.081 -3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.862 -8.229 -2.348 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.693 -6.111 -1.503 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.157 -3.149 -4.037 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.467 -3.712 -1.883 1.00 0.00 H new ATOM 498 N PRO A 31 16.624 -10.744 -5.213 1.00 0.00 N ATOM 499 CA PRO A 31 16.465 -12.205 -5.164 1.00 0.00 C ATOM 500 C PRO A 31 17.161 -12.845 -3.947 1.00 0.00 C ATOM 501 O PRO A 31 16.677 -13.818 -3.399 1.00 0.00 O ATOM 502 CB PRO A 31 17.132 -12.715 -6.487 1.00 0.00 C ATOM 503 CG PRO A 31 17.866 -11.490 -7.136 1.00 0.00 C ATOM 504 CD PRO A 31 17.480 -10.234 -6.305 1.00 0.00 C ATOM 0 HA PRO A 31 15.413 -12.475 -5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.837 -13.520 -6.278 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.381 -13.118 -7.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.946 -11.640 -7.129 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.568 -11.370 -8.177 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.365 -9.734 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.947 -9.505 -6.916 1.00 0.00 H new ATOM 512 N ASP A 32 18.263 -12.278 -3.555 1.00 0.00 N ATOM 513 CA ASP A 32 19.026 -12.829 -2.380 1.00 0.00 C ATOM 514 C ASP A 32 18.559 -12.275 -1.026 1.00 0.00 C ATOM 515 O ASP A 32 19.141 -12.597 -0.009 1.00 0.00 O ATOM 516 CB ASP A 32 20.497 -12.439 -2.568 1.00 0.00 C ATOM 517 CG ASP A 32 21.065 -13.175 -3.784 1.00 0.00 C ATOM 518 OD1 ASP A 32 20.345 -13.234 -4.767 1.00 0.00 O ATOM 519 OD2 ASP A 32 22.188 -13.636 -3.661 1.00 0.00 O ATOM 0 H ASP A 32 18.678 -11.455 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 32 18.863 -13.906 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.584 -11.361 -2.707 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.069 -12.692 -1.675 1.00 0.00 H new ATOM 524 N ALA A 33 17.522 -11.468 -1.026 1.00 0.00 N ATOM 525 CA ALA A 33 17.030 -10.899 0.268 1.00 0.00 C ATOM 526 C ALA A 33 16.073 -11.839 0.987 1.00 0.00 C ATOM 527 O ALA A 33 15.903 -11.734 2.185 1.00 0.00 O ATOM 528 CB ALA A 33 16.266 -9.613 -0.033 1.00 0.00 C ATOM 0 H ALA A 33 17.002 -11.183 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 33 17.897 -10.731 0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.898 -9.182 0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.930 -8.902 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.423 -9.835 -0.687 1.00 0.00 H new ATOM 534 N SER A 34 15.466 -12.734 0.239 1.00 0.00 N ATOM 535 CA SER A 34 14.505 -13.699 0.858 1.00 0.00 C ATOM 536 C SER A 34 13.510 -12.962 1.710 1.00 0.00 C ATOM 537 O SER A 34 13.583 -12.977 2.922 1.00 0.00 O ATOM 538 CB SER A 34 15.256 -14.691 1.742 1.00 0.00 C ATOM 539 OG SER A 34 16.196 -15.300 0.870 1.00 0.00 O ATOM 0 H SER A 34 15.595 -12.836 -0.768 1.00 0.00 H new ATOM 0 HA SER A 34 13.989 -14.229 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.752 -14.187 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 34 14.580 -15.428 2.175 1.00 0.00 H new ATOM 0 HG SER A 34 16.726 -15.957 1.368 1.00 0.00 H new ATOM 545 N VAL A 35 12.602 -12.331 1.067 1.00 0.00 N ATOM 546 CA VAL A 35 11.589 -11.579 1.798 1.00 0.00 C ATOM 547 C VAL A 35 10.785 -12.443 2.763 1.00 0.00 C ATOM 548 O VAL A 35 9.907 -13.178 2.355 1.00 0.00 O ATOM 549 CB VAL A 35 10.637 -10.968 0.774 1.00 0.00 C ATOM 550 CG1 VAL A 35 9.497 -10.256 1.499 1.00 0.00 C ATOM 551 CG2 VAL A 35 11.407 -9.961 -0.059 1.00 0.00 C ATOM 0 H VAL A 35 12.517 -12.304 0.051 1.00 0.00 H new ATOM 0 HA VAL A 35 12.096 -10.822 2.397 1.00 0.00 H new ATOM 0 HB VAL A 35 10.225 -11.749 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.817 -9.820 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.955 -10.972 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.904 -9.467 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.741 -9.514 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.805 -9.181 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.229 -10.463 -0.569 1.00 0.00 H new ATOM 561 N ASN A 36 11.116 -12.328 4.034 1.00 0.00 N ATOM 562 CA ASN A 36 10.397 -13.113 5.079 1.00 0.00 C ATOM 563 C ASN A 36 9.303 -12.224 5.625 1.00 0.00 C ATOM 564 O ASN A 36 8.588 -12.568 6.544 1.00 0.00 O ATOM 565 CB ASN A 36 11.385 -13.441 6.212 1.00 0.00 C ATOM 566 CG ASN A 36 12.554 -14.253 5.649 1.00 0.00 C ATOM 567 OD1 ASN A 36 12.397 -15.032 4.729 1.00 0.00 O ATOM 568 ND2 ASN A 36 13.741 -14.105 6.172 1.00 0.00 N ATOM 0 H ASN A 36 11.856 -11.721 4.386 1.00 0.00 H new ATOM 0 HA ASN A 36 9.986 -14.037 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.753 -12.521 6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.881 -14.005 6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 36 14.529 -14.641 5.808 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.880 -13.453 6.944 1.00 0.00 H new ATOM 575 N PHE A 37 9.221 -11.067 5.015 1.00 0.00 N ATOM 576 CA PHE A 37 8.217 -10.055 5.404 1.00 0.00 C ATOM 577 C PHE A 37 8.598 -9.417 6.728 1.00 0.00 C ATOM 578 O PHE A 37 8.207 -8.303 7.016 1.00 0.00 O ATOM 579 CB PHE A 37 6.795 -10.708 5.484 1.00 0.00 C ATOM 580 CG PHE A 37 5.803 -9.793 4.748 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.391 -8.600 5.319 1.00 0.00 C ATOM 582 CD2 PHE A 37 5.384 -10.104 3.468 1.00 0.00 C ATOM 583 CE1 PHE A 37 4.583 -7.731 4.613 1.00 0.00 C ATOM 584 CE2 PHE A 37 4.576 -9.235 2.766 1.00 0.00 C ATOM 585 CZ PHE A 37 4.180 -8.049 3.336 1.00 0.00 C ATOM 0 H PHE A 37 9.828 -10.784 4.246 1.00 0.00 H new ATOM 0 HA PHE A 37 8.191 -9.272 4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.806 -11.699 5.030 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.494 -10.837 6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.703 -8.348 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.692 -11.035 3.014 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.267 -6.801 5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 37 4.254 -9.487 1.766 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.553 -7.366 2.782 1.00 0.00 H new ATOM 595 N SER A 38 9.358 -10.136 7.502 1.00 0.00 N ATOM 596 CA SER A 38 9.789 -9.605 8.812 1.00 0.00 C ATOM 597 C SER A 38 11.006 -8.725 8.608 1.00 0.00 C ATOM 598 O SER A 38 11.527 -8.147 9.542 1.00 0.00 O ATOM 599 CB SER A 38 10.175 -10.790 9.710 1.00 0.00 C ATOM 600 OG SER A 38 8.929 -11.325 10.130 1.00 0.00 O ATOM 0 H SER A 38 9.698 -11.071 7.279 1.00 0.00 H new ATOM 0 HA SER A 38 8.987 -9.027 9.271 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.763 -11.529 9.165 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.777 -10.467 10.559 1.00 0.00 H new ATOM 0 HG SER A 38 9.084 -12.097 10.714 1.00 0.00 H new ATOM 606 N GLU A 39 11.426 -8.637 7.357 1.00 0.00 N ATOM 607 CA GLU A 39 12.613 -7.808 7.010 1.00 0.00 C ATOM 608 C GLU A 39 12.524 -7.315 5.563 1.00 0.00 C ATOM 609 O GLU A 39 13.349 -7.651 4.733 1.00 0.00 O ATOM 610 CB GLU A 39 13.870 -8.677 7.154 1.00 0.00 C ATOM 611 CG GLU A 39 14.119 -8.969 8.637 1.00 0.00 C ATOM 612 CD GLU A 39 15.538 -9.501 8.820 1.00 0.00 C ATOM 613 OE1 GLU A 39 16.011 -10.117 7.881 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.068 -9.264 9.894 1.00 0.00 O ATOM 0 H GLU A 39 10.988 -9.110 6.567 1.00 0.00 H new ATOM 0 HA GLU A 39 12.652 -6.946 7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.746 -9.610 6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 39 14.731 -8.165 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.981 -8.062 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.396 -9.699 9.001 1.00 0.00 H new ATOM 621 N PHE A 40 11.512 -6.536 5.293 1.00 0.00 N ATOM 622 CA PHE A 40 11.327 -5.996 3.928 1.00 0.00 C ATOM 623 C PHE A 40 10.509 -4.726 4.004 1.00 0.00 C ATOM 624 O PHE A 40 10.880 -3.721 3.447 1.00 0.00 O ATOM 625 CB PHE A 40 10.600 -7.035 3.053 1.00 0.00 C ATOM 626 CG PHE A 40 10.216 -6.376 1.721 1.00 0.00 C ATOM 627 CD1 PHE A 40 11.185 -5.780 0.927 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.894 -6.311 1.325 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.832 -5.129 -0.229 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.547 -5.659 0.165 1.00 0.00 C ATOM 631 CZ PHE A 40 9.514 -5.069 -0.612 1.00 0.00 C ATOM 0 H PHE A 40 10.803 -6.252 5.969 1.00 0.00 H new ATOM 0 HA PHE A 40 12.299 -5.777 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 40 11.244 -7.897 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.709 -7.402 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.223 -5.828 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.129 -6.775 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.592 -4.663 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.511 -5.611 -0.136 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.238 -4.559 -1.523 1.00 0.00 H new ATOM 641 N SER A 41 9.378 -4.804 4.647 1.00 0.00 N ATOM 642 CA SER A 41 8.541 -3.599 4.763 1.00 0.00 C ATOM 643 C SER A 41 9.361 -2.504 5.418 1.00 0.00 C ATOM 644 O SER A 41 8.960 -1.369 5.471 1.00 0.00 O ATOM 645 CB SER A 41 7.325 -3.923 5.648 1.00 0.00 C ATOM 646 OG SER A 41 6.802 -5.126 5.100 1.00 0.00 O ATOM 0 H SER A 41 9.007 -5.645 5.090 1.00 0.00 H new ATOM 0 HA SER A 41 8.203 -3.273 3.779 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.615 -4.054 6.690 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.588 -3.120 5.621 1.00 0.00 H new ATOM 0 HG SER A 41 6.120 -5.490 5.702 1.00 0.00 H new ATOM 652 N LYS A 42 10.506 -2.877 5.931 1.00 0.00 N ATOM 653 CA LYS A 42 11.351 -1.871 6.575 1.00 0.00 C ATOM 654 C LYS A 42 11.870 -0.926 5.503 1.00 0.00 C ATOM 655 O LYS A 42 12.033 0.256 5.727 1.00 0.00 O ATOM 656 CB LYS A 42 12.533 -2.582 7.253 1.00 0.00 C ATOM 657 CG LYS A 42 12.006 -3.791 8.038 1.00 0.00 C ATOM 658 CD LYS A 42 13.080 -4.264 9.023 1.00 0.00 C ATOM 659 CE LYS A 42 14.375 -4.560 8.261 1.00 0.00 C ATOM 660 NZ LYS A 42 15.292 -5.379 9.098 1.00 0.00 N ATOM 0 H LYS A 42 10.875 -3.828 5.924 1.00 0.00 H new ATOM 0 HA LYS A 42 10.787 -1.311 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.257 -2.905 6.505 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.051 -1.896 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.097 -3.522 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.744 -4.597 7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.257 -3.500 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.741 -5.158 9.546 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.147 -5.089 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.863 -3.626 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.979 -5.865 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.798 -4.762 9.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.741 -6.084 9.629 1.00 0.00 H new ATOM 674 N LYS A 43 12.121 -1.488 4.346 1.00 0.00 N ATOM 675 CA LYS A 43 12.625 -0.681 3.226 1.00 0.00 C ATOM 676 C LYS A 43 11.473 0.090 2.583 1.00 0.00 C ATOM 677 O LYS A 43 11.566 1.285 2.373 1.00 0.00 O ATOM 678 CB LYS A 43 13.245 -1.631 2.170 1.00 0.00 C ATOM 679 CG LYS A 43 14.684 -1.959 2.564 1.00 0.00 C ATOM 680 CD LYS A 43 14.698 -2.581 3.968 1.00 0.00 C ATOM 681 CE LYS A 43 16.052 -3.261 4.209 1.00 0.00 C ATOM 682 NZ LYS A 43 16.091 -4.594 3.544 1.00 0.00 N ATOM 0 H LYS A 43 11.993 -2.479 4.142 1.00 0.00 H new ATOM 0 HA LYS A 43 13.372 0.024 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.658 -2.547 2.100 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.224 -1.162 1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.122 -2.650 1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.292 -1.055 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.526 -1.812 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.891 -3.308 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.855 -2.632 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.222 -3.377 5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.956 -5.098 3.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.258 -5.148 3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.086 -4.467 2.512 1.00 0.00 H new ATOM 696 N CYS A 44 10.396 -0.610 2.284 1.00 0.00 N ATOM 697 CA CYS A 44 9.262 0.075 1.666 1.00 0.00 C ATOM 698 C CYS A 44 8.770 1.182 2.579 1.00 0.00 C ATOM 699 O CYS A 44 8.370 2.237 2.129 1.00 0.00 O ATOM 700 CB CYS A 44 8.162 -0.961 1.440 1.00 0.00 C ATOM 701 SG CYS A 44 8.659 -2.543 0.718 1.00 0.00 S ATOM 0 H CYS A 44 10.276 -1.610 2.447 1.00 0.00 H new ATOM 0 HA CYS A 44 9.553 0.526 0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.684 -1.162 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.406 -0.516 0.793 1.00 0.00 H new ATOM 0 HG CYS A 44 8.475 -3.493 1.586 1.00 0.00 H new ATOM 707 N SER A 45 8.816 0.919 3.850 1.00 0.00 N ATOM 708 CA SER A 45 8.360 1.944 4.827 1.00 0.00 C ATOM 709 C SER A 45 9.212 3.192 4.686 1.00 0.00 C ATOM 710 O SER A 45 8.707 4.296 4.657 1.00 0.00 O ATOM 711 CB SER A 45 8.539 1.385 6.258 1.00 0.00 C ATOM 712 OG SER A 45 8.444 2.529 7.093 1.00 0.00 O ATOM 0 H SER A 45 9.147 0.044 4.256 1.00 0.00 H new ATOM 0 HA SER A 45 7.314 2.187 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.769 0.652 6.498 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.501 0.886 6.373 1.00 0.00 H new ATOM 0 HG SER A 45 8.546 2.260 8.030 1.00 0.00 H new ATOM 718 N GLU A 46 10.502 2.992 4.602 1.00 0.00 N ATOM 719 CA GLU A 46 11.409 4.152 4.463 1.00 0.00 C ATOM 720 C GLU A 46 11.301 4.733 3.061 1.00 0.00 C ATOM 721 O GLU A 46 11.949 5.715 2.750 1.00 0.00 O ATOM 722 CB GLU A 46 12.856 3.678 4.694 1.00 0.00 C ATOM 723 CG GLU A 46 13.072 3.421 6.188 1.00 0.00 C ATOM 724 CD GLU A 46 14.395 2.679 6.383 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.236 2.833 5.512 1.00 0.00 O ATOM 726 OE2 GLU A 46 14.491 2.001 7.392 1.00 0.00 O ATOM 0 H GLU A 46 10.957 2.079 4.624 1.00 0.00 H new ATOM 0 HA GLU A 46 11.135 4.915 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.048 2.768 4.125 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.559 4.431 4.337 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.086 4.365 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.248 2.832 6.591 1.00 0.00 H new ATOM 733 N ARG A 47 10.477 4.082 2.236 1.00 0.00 N ATOM 734 CA ARG A 47 10.266 4.531 0.827 1.00 0.00 C ATOM 735 C ARG A 47 8.860 5.126 0.664 1.00 0.00 C ATOM 736 O ARG A 47 8.565 5.766 -0.327 1.00 0.00 O ATOM 737 CB ARG A 47 10.407 3.289 -0.082 1.00 0.00 C ATOM 738 CG ARG A 47 10.754 3.731 -1.506 1.00 0.00 C ATOM 739 CD ARG A 47 10.975 2.486 -2.382 1.00 0.00 C ATOM 740 NE ARG A 47 10.774 2.864 -3.806 1.00 0.00 N ATOM 741 CZ ARG A 47 10.670 1.929 -4.712 1.00 0.00 C ATOM 742 NH1 ARG A 47 10.746 0.678 -4.346 1.00 0.00 N ATOM 743 NH2 ARG A 47 10.492 2.279 -5.955 1.00 0.00 N ATOM 0 H ARG A 47 9.945 3.253 2.499 1.00 0.00 H new ATOM 0 HA ARG A 47 10.995 5.296 0.561 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.184 2.630 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.478 2.720 -0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.949 4.341 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.651 4.350 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.981 2.093 -2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.279 1.696 -2.099 1.00 0.00 H new ATOM 0 HE ARG A 47 10.718 3.847 -4.073 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.885 0.442 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.666 -0.063 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.437 3.267 -6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.408 1.565 -6.679 1.00 0.00 H new ATOM 757 N TRP A 48 8.032 4.890 1.666 1.00 0.00 N ATOM 758 CA TRP A 48 6.621 5.403 1.662 1.00 0.00 C ATOM 759 C TRP A 48 6.494 6.622 2.580 1.00 0.00 C ATOM 760 O TRP A 48 6.077 7.683 2.157 1.00 0.00 O ATOM 761 CB TRP A 48 5.759 4.230 2.182 1.00 0.00 C ATOM 762 CG TRP A 48 4.465 4.694 2.865 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.346 4.834 4.166 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.296 4.794 2.277 1.00 0.00 C ATOM 765 NE1 TRP A 48 3.024 4.999 4.357 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.283 4.983 3.199 1.00 0.00 C ATOM 767 CE3 TRP A 48 2.996 4.709 0.939 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.969 5.073 2.785 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.675 4.805 0.519 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.662 4.984 1.451 1.00 0.00 C ATOM 0 H TRP A 48 8.283 4.355 2.497 1.00 0.00 H new ATOM 0 HA TRP A 48 6.305 5.725 0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.508 3.573 1.349 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.345 3.641 2.888 1.00 0.00 H new ATOM 0 HD1 TRP A 48 5.128 4.820 4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.608 5.125 5.280 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.785 4.568 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.183 5.214 3.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.436 4.740 -0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.366 5.053 1.127 1.00 0.00 H new ATOM 781 N LYS A 49 6.849 6.433 3.808 1.00 0.00 N ATOM 782 CA LYS A 49 6.769 7.562 4.797 1.00 0.00 C ATOM 783 C LYS A 49 7.480 8.812 4.266 1.00 0.00 C ATOM 784 O LYS A 49 7.192 9.922 4.672 1.00 0.00 O ATOM 785 CB LYS A 49 7.509 7.135 6.091 1.00 0.00 C ATOM 786 CG LYS A 49 6.697 6.066 6.843 1.00 0.00 C ATOM 787 CD LYS A 49 7.171 5.991 8.306 1.00 0.00 C ATOM 788 CE LYS A 49 6.184 5.135 9.114 1.00 0.00 C ATOM 789 NZ LYS A 49 5.588 4.070 8.258 1.00 0.00 N ATOM 0 H LYS A 49 7.194 5.550 4.185 1.00 0.00 H new ATOM 0 HA LYS A 49 5.717 7.785 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.495 6.744 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.663 8.002 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.635 6.309 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.819 5.096 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.170 5.559 8.355 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.235 6.992 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.697 4.682 9.962 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.394 5.767 9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.145 3.347 8.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.869 4.488 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.334 3.630 7.681 1.00 0.00 H new ATOM 803 N THR A 50 8.387 8.593 3.367 1.00 0.00 N ATOM 804 CA THR A 50 9.153 9.713 2.776 1.00 0.00 C ATOM 805 C THR A 50 8.360 10.509 1.747 1.00 0.00 C ATOM 806 O THR A 50 8.520 11.709 1.640 1.00 0.00 O ATOM 807 CB THR A 50 10.367 9.086 2.086 1.00 0.00 C ATOM 808 OG1 THR A 50 10.744 9.969 1.040 1.00 0.00 O ATOM 809 CG2 THR A 50 9.952 7.795 1.381 1.00 0.00 C ATOM 0 H THR A 50 8.634 7.670 3.011 1.00 0.00 H new ATOM 0 HA THR A 50 9.420 10.414 3.567 1.00 0.00 H new ATOM 0 HB THR A 50 11.152 8.903 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.523 9.605 0.570 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.820 7.353 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.551 7.093 2.113 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.189 8.017 0.635 1.00 0.00 H new ATOM 817 N MET A 51 7.546 9.838 1.003 1.00 0.00 N ATOM 818 CA MET A 51 6.753 10.552 -0.016 1.00 0.00 C ATOM 819 C MET A 51 5.854 11.606 0.612 1.00 0.00 C ATOM 820 O MET A 51 5.853 11.784 1.817 1.00 0.00 O ATOM 821 CB MET A 51 5.889 9.529 -0.769 1.00 0.00 C ATOM 822 CG MET A 51 6.777 8.383 -1.275 1.00 0.00 C ATOM 823 SD MET A 51 6.101 7.313 -2.576 1.00 0.00 S ATOM 824 CE MET A 51 4.651 6.694 -1.671 1.00 0.00 C ATOM 0 H MET A 51 7.395 8.831 1.054 1.00 0.00 H new ATOM 0 HA MET A 51 7.437 11.059 -0.697 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.113 9.138 -0.111 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.385 10.010 -1.607 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.707 8.816 -1.644 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.034 7.755 -0.422 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.062 6.050 -2.324 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.980 6.125 -0.801 1.00 0.00 H new ATOM 0 HE3 MET A 51 4.040 7.535 -1.344 1.00 0.00 H new ATOM 834 N SER A 52 5.095 12.285 -0.234 1.00 0.00 N ATOM 835 CA SER A 52 4.163 13.355 0.259 1.00 0.00 C ATOM 836 C SER A 52 2.730 12.855 0.252 1.00 0.00 C ATOM 837 O SER A 52 2.401 11.954 -0.492 1.00 0.00 O ATOM 838 CB SER A 52 4.267 14.552 -0.703 1.00 0.00 C ATOM 839 OG SER A 52 5.658 14.659 -0.971 1.00 0.00 O ATOM 0 H SER A 52 5.085 12.140 -1.244 1.00 0.00 H new ATOM 0 HA SER A 52 4.435 13.636 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.697 14.381 -1.616 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.877 15.463 -0.250 1.00 0.00 H new ATOM 0 HG SER A 52 5.816 15.406 -1.586 1.00 0.00 H new ATOM 845 N ALA A 53 1.911 13.436 1.100 1.00 0.00 N ATOM 846 CA ALA A 53 0.489 13.014 1.161 1.00 0.00 C ATOM 847 C ALA A 53 -0.124 12.949 -0.227 1.00 0.00 C ATOM 848 O ALA A 53 -1.072 12.228 -0.455 1.00 0.00 O ATOM 849 CB ALA A 53 -0.286 14.034 1.986 1.00 0.00 C ATOM 0 H ALA A 53 2.172 14.180 1.747 1.00 0.00 H new ATOM 0 HA ALA A 53 0.439 12.023 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.334 13.738 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.131 14.080 2.992 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.210 15.015 1.517 1.00 0.00 H new ATOM 855 N LYS A 54 0.425 13.714 -1.133 1.00 0.00 N ATOM 856 CA LYS A 54 -0.120 13.697 -2.502 1.00 0.00 C ATOM 857 C LYS A 54 0.038 12.302 -3.082 1.00 0.00 C ATOM 858 O LYS A 54 -0.924 11.691 -3.527 1.00 0.00 O ATOM 859 CB LYS A 54 0.671 14.699 -3.364 1.00 0.00 C ATOM 860 CG LYS A 54 0.194 16.122 -3.047 1.00 0.00 C ATOM 861 CD LYS A 54 1.144 17.136 -3.703 1.00 0.00 C ATOM 862 CE LYS A 54 1.073 16.998 -5.229 1.00 0.00 C ATOM 863 NZ LYS A 54 1.593 18.229 -5.886 1.00 0.00 N ATOM 0 H LYS A 54 1.216 14.339 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.175 13.971 -2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.738 14.607 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.526 14.481 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.822 16.268 -3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.167 16.277 -1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.871 18.149 -3.407 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.165 16.967 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.654 16.134 -5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.042 16.821 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.539 18.121 -6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.021 19.047 -5.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.583 18.380 -5.606 1.00 0.00 H new ATOM 877 N GLU A 55 1.249 11.801 -3.057 1.00 0.00 N ATOM 878 CA GLU A 55 1.470 10.455 -3.601 1.00 0.00 C ATOM 879 C GLU A 55 0.774 9.433 -2.726 1.00 0.00 C ATOM 880 O GLU A 55 0.080 8.561 -3.215 1.00 0.00 O ATOM 881 CB GLU A 55 2.974 10.164 -3.610 1.00 0.00 C ATOM 882 CG GLU A 55 3.695 11.217 -4.471 1.00 0.00 C ATOM 883 CD GLU A 55 5.056 10.670 -4.922 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.670 10.005 -4.105 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.402 10.948 -6.059 1.00 0.00 O ATOM 0 H GLU A 55 2.075 12.270 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 55 1.070 10.399 -4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.365 10.181 -2.593 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.160 9.166 -4.006 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.087 11.469 -5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.832 12.136 -3.901 1.00 0.00 H new ATOM 892 N LYS A 56 0.951 9.560 -1.431 1.00 0.00 N ATOM 893 CA LYS A 56 0.293 8.593 -0.543 1.00 0.00 C ATOM 894 C LYS A 56 -1.198 8.828 -0.599 1.00 0.00 C ATOM 895 O LYS A 56 -1.975 8.114 0.000 1.00 0.00 O ATOM 896 CB LYS A 56 0.791 8.795 0.893 1.00 0.00 C ATOM 897 CG LYS A 56 2.268 8.374 0.976 1.00 0.00 C ATOM 898 CD LYS A 56 2.782 8.502 2.452 1.00 0.00 C ATOM 899 CE LYS A 56 3.605 9.784 2.620 1.00 0.00 C ATOM 900 NZ LYS A 56 2.837 10.969 2.147 1.00 0.00 N ATOM 0 H LYS A 56 1.512 10.279 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 56 0.523 7.576 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.680 9.839 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.192 8.204 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.381 7.346 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.870 9.000 0.317 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.936 8.512 3.139 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.391 7.635 2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.875 9.914 3.668 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.536 9.700 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.369 11.836 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.689 10.899 1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.915 11.000 2.628 1.00 0.00 H new ATOM 914 N GLY A 57 -1.564 9.851 -1.335 1.00 0.00 N ATOM 915 CA GLY A 57 -3.002 10.190 -1.475 1.00 0.00 C ATOM 916 C GLY A 57 -3.652 9.229 -2.464 1.00 0.00 C ATOM 917 O GLY A 57 -4.778 8.807 -2.286 1.00 0.00 O ATOM 0 H GLY A 57 -0.923 10.461 -1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.499 10.125 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.113 11.217 -1.822 1.00 0.00 H new ATOM 921 N LYS A 58 -2.926 8.910 -3.501 1.00 0.00 N ATOM 922 CA LYS A 58 -3.463 7.986 -4.511 1.00 0.00 C ATOM 923 C LYS A 58 -3.458 6.558 -3.940 1.00 0.00 C ATOM 924 O LYS A 58 -4.270 5.726 -4.300 1.00 0.00 O ATOM 925 CB LYS A 58 -2.542 8.134 -5.769 1.00 0.00 C ATOM 926 CG LYS A 58 -2.398 6.808 -6.560 1.00 0.00 C ATOM 927 CD LYS A 58 -1.196 5.994 -6.015 1.00 0.00 C ATOM 928 CE LYS A 58 0.110 6.499 -6.662 1.00 0.00 C ATOM 929 NZ LYS A 58 0.336 5.829 -7.977 1.00 0.00 N ATOM 0 H LYS A 58 -1.984 9.256 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.494 8.208 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.950 8.902 -6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.555 8.475 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.313 6.222 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.254 7.021 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.138 6.094 -4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.334 4.935 -6.231 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.060 7.579 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.951 6.302 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.219 6.181 -8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.405 4.801 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.459 6.038 -8.614 1.00 0.00 H new ATOM 943 N PHE A 59 -2.574 6.334 -3.012 1.00 0.00 N ATOM 944 CA PHE A 59 -2.484 4.984 -2.391 1.00 0.00 C ATOM 945 C PHE A 59 -3.563 4.886 -1.353 1.00 0.00 C ATOM 946 O PHE A 59 -4.018 3.815 -1.002 1.00 0.00 O ATOM 947 CB PHE A 59 -1.107 4.830 -1.699 1.00 0.00 C ATOM 948 CG PHE A 59 -0.054 4.402 -2.727 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.075 3.128 -3.263 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.941 5.278 -3.126 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.880 2.741 -4.178 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.892 4.889 -4.036 1.00 0.00 C ATOM 953 CZ PHE A 59 1.864 3.622 -4.565 1.00 0.00 C ATOM 0 H PHE A 59 -1.912 7.023 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.599 4.207 -3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.815 5.773 -1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.171 4.090 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.844 2.432 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.969 6.277 -2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.856 1.744 -4.592 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.664 5.581 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.612 3.318 -5.282 1.00 0.00 H new ATOM 963 N GLU A 60 -3.956 6.033 -0.876 1.00 0.00 N ATOM 964 CA GLU A 60 -5.005 6.080 0.140 1.00 0.00 C ATOM 965 C GLU A 60 -6.330 5.870 -0.552 1.00 0.00 C ATOM 966 O GLU A 60 -7.305 5.468 0.052 1.00 0.00 O ATOM 967 CB GLU A 60 -4.964 7.490 0.791 1.00 0.00 C ATOM 968 CG GLU A 60 -4.167 7.446 2.108 1.00 0.00 C ATOM 969 CD GLU A 60 -5.068 6.943 3.247 1.00 0.00 C ATOM 970 OE1 GLU A 60 -5.940 6.145 2.940 1.00 0.00 O ATOM 971 OE2 GLU A 60 -4.833 7.388 4.357 1.00 0.00 O ATOM 0 H GLU A 60 -3.583 6.940 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.866 5.315 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.506 8.202 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.978 7.839 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.303 6.790 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.785 8.439 2.346 1.00 0.00 H new ATOM 978 N ASP A 61 -6.332 6.155 -1.822 1.00 0.00 N ATOM 979 CA ASP A 61 -7.572 5.984 -2.596 1.00 0.00 C ATOM 980 C ASP A 61 -7.849 4.508 -2.778 1.00 0.00 C ATOM 981 O ASP A 61 -8.974 4.069 -2.687 1.00 0.00 O ATOM 982 CB ASP A 61 -7.381 6.646 -3.968 1.00 0.00 C ATOM 983 CG ASP A 61 -8.742 6.800 -4.649 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.517 7.592 -4.140 1.00 0.00 O ATOM 985 OD2 ASP A 61 -8.931 6.115 -5.643 1.00 0.00 O ATOM 0 H ASP A 61 -5.528 6.497 -2.349 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.411 6.443 -2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.907 7.621 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.718 6.042 -4.587 1.00 0.00 H new ATOM 990 N MET A 62 -6.817 3.757 -3.047 1.00 0.00 N ATOM 991 CA MET A 62 -7.030 2.318 -3.227 1.00 0.00 C ATOM 992 C MET A 62 -7.582 1.752 -1.944 1.00 0.00 C ATOM 993 O MET A 62 -8.566 1.037 -1.949 1.00 0.00 O ATOM 994 CB MET A 62 -5.686 1.641 -3.557 1.00 0.00 C ATOM 995 CG MET A 62 -5.190 2.118 -4.936 1.00 0.00 C ATOM 996 SD MET A 62 -3.951 1.093 -5.766 1.00 0.00 S ATOM 997 CE MET A 62 -2.558 1.507 -4.689 1.00 0.00 C ATOM 0 H MET A 62 -5.855 4.082 -3.146 1.00 0.00 H new ATOM 0 HA MET A 62 -7.730 2.139 -4.043 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.949 1.882 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.804 0.557 -3.557 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.054 2.204 -5.595 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.777 3.120 -4.819 1.00 0.00 H new ATOM 0 HE1 MET A 62 -2.049 0.592 -4.385 1.00 0.00 H new ATOM 0 HE2 MET A 62 -1.861 2.149 -5.227 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.924 2.029 -3.805 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.923 2.071 -0.857 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.386 1.572 0.450 1.00 0.00 C ATOM 1009 C ALA A 63 -8.865 1.938 0.641 1.00 0.00 C ATOM 1010 O ALA A 63 -9.590 1.275 1.359 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.524 2.262 1.552 1.00 0.00 C ATOM 0 H ALA A 63 -6.087 2.655 -0.830 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.283 0.488 0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.842 1.913 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.474 2.013 1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.653 3.343 1.491 1.00 0.00 H new ATOM 1017 N LYS A 64 -9.272 2.997 -0.026 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.682 3.447 0.080 1.00 0.00 C ATOM 1019 C LYS A 64 -11.573 2.620 -0.843 1.00 0.00 C ATOM 1020 O LYS A 64 -12.711 2.323 -0.523 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.747 4.942 -0.340 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.914 5.628 0.383 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.193 6.975 -0.281 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.302 7.688 0.485 1.00 0.00 C ATOM 1025 NZ LYS A 64 -12.925 7.847 1.917 1.00 0.00 N ATOM 0 H LYS A 64 -8.681 3.562 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.033 3.321 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.810 5.441 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.877 5.022 -1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.803 4.998 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.672 5.771 1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.289 7.585 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.488 6.828 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.489 8.666 0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.229 7.120 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.284 8.756 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.338 7.071 2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.889 7.824 2.008 1.00 0.00 H new ATOM 1039 N ALA A 65 -11.038 2.250 -1.974 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.833 1.455 -2.909 1.00 0.00 C ATOM 1041 C ALA A 65 -12.079 0.094 -2.336 1.00 0.00 C ATOM 1042 O ALA A 65 -13.141 -0.471 -2.496 1.00 0.00 O ATOM 1043 CB ALA A 65 -11.060 1.318 -4.230 1.00 0.00 C ATOM 0 H ALA A 65 -10.089 2.469 -2.277 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.789 1.948 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.645 0.726 -4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.879 2.307 -4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.107 0.823 -4.044 1.00 0.00 H new ATOM 1049 N ASP A 66 -11.096 -0.414 -1.673 1.00 0.00 N ATOM 1050 CA ASP A 66 -11.255 -1.740 -1.078 1.00 0.00 C ATOM 1051 C ASP A 66 -12.274 -1.660 0.037 1.00 0.00 C ATOM 1052 O ASP A 66 -13.025 -2.583 0.254 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.893 -2.200 -0.510 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.093 -2.891 -1.614 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.093 -2.345 -2.705 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.524 -3.923 -1.302 1.00 0.00 O ATOM 0 H ASP A 66 -10.193 0.034 -1.520 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.595 -2.453 -1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.339 -1.344 -0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.046 -2.883 0.326 1.00 0.00 H new ATOM 1061 N LYS A 67 -12.258 -0.547 0.739 1.00 0.00 N ATOM 1062 CA LYS A 67 -13.220 -0.364 1.852 1.00 0.00 C ATOM 1063 C LYS A 67 -14.621 -0.674 1.385 1.00 0.00 C ATOM 1064 O LYS A 67 -15.394 -1.266 2.104 1.00 0.00 O ATOM 1065 CB LYS A 67 -13.151 1.102 2.336 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.704 1.193 3.762 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.743 2.660 4.192 1.00 0.00 C ATOM 1068 CE LYS A 67 -14.271 2.751 5.624 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.343 2.067 6.566 1.00 0.00 N ATOM 0 H LYS A 67 -11.620 0.233 0.582 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.964 -1.040 2.667 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.121 1.457 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.726 1.744 1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.704 0.762 3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.079 0.618 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.746 3.096 4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.382 3.232 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.384 3.797 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.260 2.296 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.513 2.411 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.506 1.041 6.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.360 2.271 6.294 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.937 -0.268 0.186 1.00 0.00 N ATOM 1084 CA ALA A 68 -16.290 -0.553 -0.315 1.00 0.00 C ATOM 1085 C ALA A 68 -16.410 -2.027 -0.623 1.00 0.00 C ATOM 1086 O ALA A 68 -17.433 -2.630 -0.393 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.530 0.258 -1.598 1.00 0.00 C ATOM 0 H ALA A 68 -14.322 0.239 -0.451 1.00 0.00 H new ATOM 0 HA ALA A 68 -17.028 -0.279 0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.531 0.053 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.436 1.322 -1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.793 -0.024 -2.350 1.00 0.00 H new ATOM 1093 N ARG A 69 -15.354 -2.582 -1.131 1.00 0.00 N ATOM 1094 CA ARG A 69 -15.378 -4.024 -1.464 1.00 0.00 C ATOM 1095 C ARG A 69 -15.298 -4.857 -0.192 1.00 0.00 C ATOM 1096 O ARG A 69 -15.569 -6.042 -0.207 1.00 0.00 O ATOM 1097 CB ARG A 69 -14.151 -4.358 -2.335 1.00 0.00 C ATOM 1098 CG ARG A 69 -14.220 -3.566 -3.649 1.00 0.00 C ATOM 1099 CD ARG A 69 -15.482 -3.969 -4.446 1.00 0.00 C ATOM 1100 NE ARG A 69 -16.567 -2.999 -4.136 1.00 0.00 N ATOM 1101 CZ ARG A 69 -17.657 -3.003 -4.857 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.766 -3.867 -5.828 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -18.598 -2.139 -4.586 1.00 0.00 N ATOM 0 H ARG A 69 -14.477 -2.101 -1.330 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.303 -4.249 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -13.234 -4.113 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.121 -5.427 -2.544 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.240 -2.497 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -13.328 -3.757 -4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.270 -3.971 -5.515 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.791 -4.980 -4.180 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.461 -2.337 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.008 -4.524 -6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.609 -3.886 -6.402 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.476 -1.475 -3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -19.455 -2.128 -5.139 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.925 -4.216 0.894 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.821 -4.955 2.174 1.00 0.00 C ATOM 1119 C TYR A 70 -16.192 -5.168 2.798 1.00 0.00 C ATOM 1120 O TYR A 70 -16.489 -6.235 3.300 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.981 -4.141 3.162 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.864 -4.945 4.461 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -12.969 -5.987 4.557 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -14.675 -4.658 5.541 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -12.886 -6.735 5.709 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -14.590 -5.408 6.695 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.694 -6.454 6.789 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.602 -7.202 7.945 1.00 0.00 O ATOM 0 H TYR A 70 -14.693 -3.224 0.939 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.362 -5.922 1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.993 -3.941 2.747 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -14.448 -3.175 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.326 -6.219 3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.380 -3.842 5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.180 -7.551 5.767 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -15.230 -5.175 7.533 1.00 0.00 H new ATOM 0 HH TYR A 70 -14.244 -6.865 8.604 1.00 0.00 H new ATOM 1138 N GLU A 71 -17.006 -4.138 2.747 1.00 0.00 N ATOM 1139 CA GLU A 71 -18.370 -4.236 3.329 1.00 0.00 C ATOM 1140 C GLU A 71 -19.367 -4.870 2.362 1.00 0.00 C ATOM 1141 O GLU A 71 -20.261 -5.582 2.768 1.00 0.00 O ATOM 1142 CB GLU A 71 -18.844 -2.816 3.653 1.00 0.00 C ATOM 1143 CG GLU A 71 -17.811 -2.140 4.549 1.00 0.00 C ATOM 1144 CD GLU A 71 -18.395 -0.841 5.101 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -19.010 -0.928 6.151 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -18.196 0.166 4.441 1.00 0.00 O ATOM 0 H GLU A 71 -16.778 -3.237 2.326 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.321 -4.867 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.977 -2.245 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.813 -2.847 4.152 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.533 -2.804 5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.902 -1.932 3.984 1.00 0.00 H new ATOM 1153 N ARG A 72 -19.193 -4.593 1.103 1.00 0.00 N ATOM 1154 CA ARG A 72 -20.117 -5.163 0.077 1.00 0.00 C ATOM 1155 C ARG A 72 -20.275 -6.675 0.221 1.00 0.00 C ATOM 1156 O ARG A 72 -21.362 -7.199 0.071 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.516 -4.849 -1.315 1.00 0.00 C ATOM 1158 CG ARG A 72 -20.439 -5.371 -2.439 1.00 0.00 C ATOM 1159 CD ARG A 72 -21.742 -4.560 -2.465 1.00 0.00 C ATOM 1160 NE ARG A 72 -22.367 -4.712 -3.807 1.00 0.00 N ATOM 1161 CZ ARG A 72 -23.602 -4.338 -3.987 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -24.261 -3.833 -2.980 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -24.144 -4.494 -5.164 1.00 0.00 N ATOM 0 H ARG A 72 -18.452 -3.997 0.736 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.104 -4.719 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.377 -3.773 -1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -18.531 -5.308 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.933 -5.294 -3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -20.660 -6.426 -2.279 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -22.422 -4.911 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.538 -3.509 -2.259 1.00 0.00 H new ATOM 0 HE ARG A 72 -21.832 -5.106 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -23.808 -3.737 -2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -25.229 -3.535 -3.102 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -23.602 -4.903 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -25.110 -4.207 -5.323 1.00 0.00 H new ATOM 1177 N GLU A 73 -19.192 -7.338 0.515 1.00 0.00 N ATOM 1178 CA GLU A 73 -19.236 -8.835 0.674 1.00 0.00 C ATOM 1179 C GLU A 73 -19.530 -9.270 2.111 1.00 0.00 C ATOM 1180 O GLU A 73 -20.135 -10.300 2.332 1.00 0.00 O ATOM 1181 CB GLU A 73 -17.855 -9.382 0.287 1.00 0.00 C ATOM 1182 CG GLU A 73 -17.572 -9.031 -1.174 1.00 0.00 C ATOM 1183 CD GLU A 73 -16.220 -9.618 -1.581 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -15.234 -8.971 -1.273 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -16.250 -10.682 -2.175 1.00 0.00 O ATOM 0 H GLU A 73 -18.274 -6.916 0.654 1.00 0.00 H new ATOM 0 HA GLU A 73 -20.037 -9.219 0.042 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -17.087 -8.956 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.825 -10.463 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -18.361 -9.426 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.566 -7.949 -1.306 1.00 0.00 H new ATOM 1192 N MET A 74 -19.101 -8.489 3.057 1.00 0.00 N ATOM 1193 CA MET A 74 -19.349 -8.852 4.466 1.00 0.00 C ATOM 1194 C MET A 74 -20.837 -8.977 4.783 1.00 0.00 C ATOM 1195 O MET A 74 -21.255 -9.902 5.450 1.00 0.00 O ATOM 1196 CB MET A 74 -18.737 -7.755 5.344 1.00 0.00 C ATOM 1197 CG MET A 74 -19.000 -8.067 6.827 1.00 0.00 C ATOM 1198 SD MET A 74 -19.083 -9.814 7.323 1.00 0.00 S ATOM 1199 CE MET A 74 -17.385 -10.291 6.884 1.00 0.00 C ATOM 0 H MET A 74 -18.591 -7.618 2.912 1.00 0.00 H new ATOM 0 HA MET A 74 -18.898 -9.826 4.659 1.00 0.00 H new ATOM 0 HB2 MET A 74 -17.664 -7.687 5.162 1.00 0.00 H new ATOM 0 HB3 MET A 74 -19.166 -6.787 5.085 1.00 0.00 H new ATOM 0 HG2 MET A 74 -18.216 -7.589 7.414 1.00 0.00 H new ATOM 0 HG3 MET A 74 -19.941 -7.594 7.107 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.407 -10.980 6.040 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.816 -9.402 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 74 -16.912 -10.777 7.737 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.602 -8.051 4.306 1.00 0.00 N ATOM 1210 CA LYS A 75 -23.061 -8.100 4.571 1.00 0.00 C ATOM 1211 C LYS A 75 -23.699 -9.338 3.956 1.00 0.00 C ATOM 1212 O LYS A 75 -24.896 -9.530 4.048 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.705 -6.852 3.956 1.00 0.00 C ATOM 1214 CG LYS A 75 -23.141 -5.611 4.648 1.00 0.00 C ATOM 1215 CD LYS A 75 -23.771 -4.351 4.027 1.00 0.00 C ATOM 1216 CE LYS A 75 -22.896 -3.130 4.349 1.00 0.00 C ATOM 1217 NZ LYS A 75 -23.687 -1.874 4.217 1.00 0.00 N ATOM 0 H LYS A 75 -21.285 -7.261 3.744 1.00 0.00 H new ATOM 0 HA LYS A 75 -23.219 -8.137 5.649 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -23.502 -6.812 2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -24.788 -6.890 4.074 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -23.353 -5.649 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.057 -5.581 4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -23.863 -4.472 2.948 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -24.778 -4.204 4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -22.502 -3.214 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.040 -3.100 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.082 -1.058 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -24.042 -1.788 3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -24.490 -1.898 4.878 1.00 0.00 H new ATOM 1231 N THR A 76 -22.894 -10.156 3.340 1.00 0.00 N ATOM 1232 CA THR A 76 -23.447 -11.383 2.714 1.00 0.00 C ATOM 1233 C THR A 76 -22.330 -12.379 2.393 1.00 0.00 C ATOM 1234 O THR A 76 -22.369 -13.068 1.394 1.00 0.00 O ATOM 1235 CB THR A 76 -24.178 -10.977 1.415 1.00 0.00 C ATOM 1236 OG1 THR A 76 -24.854 -12.142 0.985 1.00 0.00 O ATOM 1237 CG2 THR A 76 -23.181 -10.648 0.269 1.00 0.00 C ATOM 0 H THR A 76 -21.887 -10.029 3.244 1.00 0.00 H new ATOM 0 HA THR A 76 -24.138 -11.865 3.405 1.00 0.00 H new ATOM 0 HB THR A 76 -24.808 -10.110 1.614 1.00 0.00 H new ATOM 0 HG1 THR A 76 -24.225 -12.893 0.954 1.00 0.00 H new ATOM 0 HG21 THR A 76 -23.736 -10.367 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 76 -22.538 -9.821 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 -22.569 -11.524 0.057 1.00 0.00 H new ATOM 1245 N TYR A 77 -21.355 -12.435 3.259 1.00 0.00 N ATOM 1246 CA TYR A 77 -20.226 -13.368 3.037 1.00 0.00 C ATOM 1247 C TYR A 77 -20.656 -14.794 3.379 1.00 0.00 C ATOM 1248 O TYR A 77 -21.291 -15.439 2.577 1.00 0.00 O ATOM 1249 CB TYR A 77 -19.072 -12.913 3.965 1.00 0.00 C ATOM 1250 CG TYR A 77 -17.894 -13.912 3.949 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -17.365 -14.388 2.758 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -17.306 -14.302 5.140 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -16.271 -15.232 2.768 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -16.213 -15.144 5.143 1.00 0.00 C ATOM 1255 CZ TYR A 77 -15.687 -15.613 3.958 1.00 0.00 C ATOM 1256 OH TYR A 77 -14.585 -16.444 3.962 1.00 0.00 O ATOM 0 H TYR A 77 -21.296 -11.874 4.108 1.00 0.00 H new ATOM 0 HA TYR A 77 -19.906 -13.358 1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -18.719 -11.930 3.651 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -19.445 -12.807 4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -17.811 -14.097 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -17.707 -13.943 6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -15.869 -15.597 1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -15.766 -15.438 6.081 1.00 0.00 H new ATOM 0 HH TYR A 77 -14.371 -16.700 4.884 1.00 0.00 H new ATOM 1266 N ILE A 78 -20.313 -15.235 4.579 1.00 0.00 N ATOM 1267 CA ILE A 78 -20.680 -16.627 5.042 1.00 0.00 C ATOM 1268 C ILE A 78 -20.569 -17.698 3.902 1.00 0.00 C ATOM 1269 O ILE A 78 -21.539 -17.981 3.221 1.00 0.00 O ATOM 1270 CB ILE A 78 -22.138 -16.594 5.530 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -22.310 -15.527 6.636 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -22.473 -17.975 6.143 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -22.280 -14.093 6.035 1.00 0.00 C ATOM 0 H ILE A 78 -19.791 -14.686 5.262 1.00 0.00 H new ATOM 0 HA ILE A 78 -19.982 -16.912 5.829 1.00 0.00 H new ATOM 0 HB ILE A 78 -22.793 -16.358 4.692 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -23.254 -15.687 7.157 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -21.516 -15.632 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -23.504 -17.976 6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -22.349 -18.749 5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -21.803 -18.174 6.979 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -22.403 -13.361 6.833 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -21.326 -13.928 5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -23.091 -13.983 5.314 1.00 0.00 H new ATOM 1285 N PRO A 79 -19.385 -18.292 3.723 1.00 0.00 N ATOM 1286 CA PRO A 79 -19.209 -19.302 2.676 1.00 0.00 C ATOM 1287 C PRO A 79 -20.146 -20.511 2.921 1.00 0.00 C ATOM 1288 O PRO A 79 -20.823 -20.570 3.929 1.00 0.00 O ATOM 1289 CB PRO A 79 -17.707 -19.724 2.777 1.00 0.00 C ATOM 1290 CG PRO A 79 -17.047 -18.817 3.868 1.00 0.00 C ATOM 1291 CD PRO A 79 -18.189 -18.011 4.535 1.00 0.00 C ATOM 0 HA PRO A 79 -19.458 -18.920 1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -17.620 -20.776 3.047 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.206 -19.598 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.520 -19.422 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.312 -18.148 3.421 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -18.335 -18.318 5.571 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -17.963 -16.945 4.548 1.00 0.00 H new ATOM 1299 N PRO A 80 -20.177 -21.455 1.975 1.00 0.00 N ATOM 1300 CA PRO A 80 -21.031 -22.634 2.113 1.00 0.00 C ATOM 1301 C PRO A 80 -20.557 -23.526 3.264 1.00 0.00 C ATOM 1302 O PRO A 80 -19.891 -23.072 4.176 1.00 0.00 O ATOM 1303 CB PRO A 80 -20.907 -23.385 0.746 1.00 0.00 C ATOM 1304 CG PRO A 80 -19.809 -22.650 -0.081 1.00 0.00 C ATOM 1305 CD PRO A 80 -19.392 -21.393 0.724 1.00 0.00 C ATOM 0 HA PRO A 80 -22.061 -22.363 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -20.637 -24.429 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -21.859 -23.378 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -18.952 -23.302 -0.247 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.191 -22.369 -1.063 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -18.322 -21.395 0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.608 -20.480 0.169 1.00 0.00 H new ATOM 1313 N LYS A 81 -20.915 -24.774 3.183 1.00 0.00 N ATOM 1314 CA LYS A 81 -20.517 -25.738 4.240 1.00 0.00 C ATOM 1315 C LYS A 81 -20.888 -25.207 5.600 1.00 0.00 C ATOM 1316 O LYS A 81 -20.252 -25.510 6.592 1.00 0.00 O ATOM 1317 CB LYS A 81 -18.999 -25.959 4.170 1.00 0.00 C ATOM 1318 CG LYS A 81 -18.594 -26.149 2.711 1.00 0.00 C ATOM 1319 CD LYS A 81 -17.110 -26.507 2.644 1.00 0.00 C ATOM 1320 CE LYS A 81 -16.703 -26.675 1.179 1.00 0.00 C ATOM 1321 NZ LYS A 81 -17.645 -27.594 0.481 1.00 0.00 N ATOM 0 H LYS A 81 -21.470 -25.170 2.424 1.00 0.00 H new ATOM 0 HA LYS A 81 -21.039 -26.682 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.474 -25.106 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.718 -26.834 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -19.192 -26.938 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -18.786 -25.237 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.513 -25.725 3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.920 -27.428 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -16.697 -25.704 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.689 -27.070 1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.194 -27.966 -0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.892 -28.383 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.508 -27.075 0.222 1.00 0.00 H new ATOM 1335 N GLY A 82 -21.917 -24.413 5.612 1.00 0.00 N ATOM 1336 CA GLY A 82 -22.393 -23.813 6.902 1.00 0.00 C ATOM 1337 C GLY A 82 -23.883 -23.465 6.813 1.00 0.00 C ATOM 1338 O GLY A 82 -24.294 -22.383 7.183 1.00 0.00 O ATOM 0 H GLY A 82 -22.455 -24.148 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -22.225 -24.514 7.720 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -21.817 -22.916 7.127 1.00 0.00 H new ATOM 1342 N GLU A 83 -24.659 -24.393 6.324 1.00 0.00 N ATOM 1343 CA GLU A 83 -26.116 -24.137 6.202 1.00 0.00 C ATOM 1344 C GLU A 83 -26.789 -24.179 7.568 1.00 0.00 C ATOM 1345 O GLU A 83 -26.129 -24.646 8.481 1.00 0.00 O ATOM 1346 CB GLU A 83 -26.729 -25.235 5.320 1.00 0.00 C ATOM 1347 CG GLU A 83 -26.158 -25.122 3.906 1.00 0.00 C ATOM 1348 CD GLU A 83 -26.649 -26.304 3.069 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -26.398 -27.416 3.502 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -27.250 -26.028 2.043 1.00 0.00 O ATOM 1351 OXT GLU A 83 -27.928 -23.745 7.624 1.00 0.00 O ATOM 0 H GLU A 83 -24.347 -25.311 6.006 1.00 0.00 H new ATOM 0 HA GLU A 83 -26.268 -23.150 5.765 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -26.509 -26.218 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -27.814 -25.135 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -26.470 -24.183 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -25.069 -25.113 3.941 1.00 0.00 H new TER 1358 GLU A 83