USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 627 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 31 THR OG1 : rot -72:sc= 0.597 USER MOD Set 1.2: A 32 ASN :FLIP amide:sc= -0.303 F(o=-0.61,f=0.29) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0823 (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 27:sc= 0.951 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0776 X(o=-0.078,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 95:sc= -7.54! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.677 (180deg=-1.45) USER MOD Single : A 30 SER OG : rot 76:sc= 1.21 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0044 (180deg=-0.126) USER MOD Single : A 47 MET CE :methyl -148:sc= -4.22 (180deg=-7.44!) USER MOD Single : A 49 ASN : amide:sc= -0.0271 X(o=-0.027,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.421 X(o=0.42,f=-0.047) USER MOD Single : A 52 ASN :FLIP amide:sc= -4.09! C(o=-5.1!,f=-4.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0198 X(o=-0.02,f=-0.02) USER MOD Single : A 59 TYR OH : rot -92:sc= 0.0302 USER MOD Single : A 61 THR OG1 : rot 78:sc= 0.168 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= -0.0198 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.515 -5.218 5.043 1.00 0.00 N ATOM 2 CA GLY A 1 10.252 -4.278 4.220 1.00 0.00 C ATOM 3 C GLY A 1 9.351 -3.498 3.282 1.00 0.00 C ATOM 4 O GLY A 1 8.163 -3.794 3.163 1.00 0.00 O ATOM 0 H1 GLY A 1 9.670 -4.996 6.047 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.500 -5.148 4.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.845 -6.184 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.792 -3.582 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.998 -4.818 3.637 1.00 0.00 H new ATOM 8 N SER A 2 9.918 -2.497 2.616 1.00 0.00 N ATOM 9 CA SER A 2 9.157 -1.668 1.689 1.00 0.00 C ATOM 10 C SER A 2 8.582 -2.510 0.554 1.00 0.00 C ATOM 11 O SER A 2 7.394 -2.423 0.243 1.00 0.00 O ATOM 12 CB SER A 2 10.043 -0.559 1.118 1.00 0.00 C ATOM 13 OG SER A 2 10.394 0.380 2.119 1.00 0.00 O ATOM 0 H SER A 2 10.902 -2.241 2.701 1.00 0.00 H new ATOM 0 HA SER A 2 8.331 -1.217 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.946 -0.995 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.519 -0.052 0.307 1.00 0.00 H new ATOM 0 HG SER A 2 10.962 1.077 1.729 1.00 0.00 H new ATOM 19 N SER A 3 9.434 -3.324 -0.060 1.00 0.00 N ATOM 20 CA SER A 3 9.013 -4.180 -1.163 1.00 0.00 C ATOM 21 C SER A 3 8.892 -5.632 -0.709 1.00 0.00 C ATOM 22 O SER A 3 9.844 -6.406 -0.808 1.00 0.00 O ATOM 23 CB SER A 3 10.004 -4.077 -2.324 1.00 0.00 C ATOM 24 OG SER A 3 9.781 -2.902 -3.083 1.00 0.00 O ATOM 0 H SER A 3 10.420 -3.409 0.187 1.00 0.00 H new ATOM 0 HA SER A 3 8.034 -3.841 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.023 -4.076 -1.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.908 -4.952 -2.967 1.00 0.00 H new ATOM 0 HG SER A 3 10.428 -2.859 -3.818 1.00 0.00 H new ATOM 30 N GLY A 4 7.714 -5.994 -0.211 1.00 0.00 N ATOM 31 CA GLY A 4 7.489 -7.351 0.251 1.00 0.00 C ATOM 32 C GLY A 4 7.028 -7.403 1.694 1.00 0.00 C ATOM 33 O GLY A 4 6.888 -6.369 2.346 1.00 0.00 O ATOM 0 H GLY A 4 6.911 -5.372 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.742 -7.828 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.410 -7.925 0.146 1.00 0.00 H new ATOM 37 N SER A 5 6.791 -8.612 2.194 1.00 0.00 N ATOM 38 CA SER A 5 6.337 -8.795 3.568 1.00 0.00 C ATOM 39 C SER A 5 6.589 -10.224 4.038 1.00 0.00 C ATOM 40 O SER A 5 6.448 -11.175 3.269 1.00 0.00 O ATOM 41 CB SER A 5 4.848 -8.462 3.685 1.00 0.00 C ATOM 42 OG SER A 5 4.646 -7.065 3.815 1.00 0.00 O ATOM 0 H SER A 5 6.906 -9.479 1.669 1.00 0.00 H new ATOM 0 HA SER A 5 6.904 -8.116 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.320 -8.829 2.805 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.424 -8.976 4.548 1.00 0.00 H new ATOM 0 HG SER A 5 5.387 -6.586 3.389 1.00 0.00 H new ATOM 48 N SER A 6 6.963 -10.367 5.305 1.00 0.00 N ATOM 49 CA SER A 6 7.238 -11.680 5.878 1.00 0.00 C ATOM 50 C SER A 6 6.761 -11.752 7.325 1.00 0.00 C ATOM 51 O SER A 6 6.654 -10.733 8.007 1.00 0.00 O ATOM 52 CB SER A 6 8.735 -11.987 5.806 1.00 0.00 C ATOM 53 OG SER A 6 9.442 -11.324 6.840 1.00 0.00 O ATOM 0 H SER A 6 7.083 -9.590 5.955 1.00 0.00 H new ATOM 0 HA SER A 6 6.693 -12.424 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.893 -13.063 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.127 -11.678 4.837 1.00 0.00 H new ATOM 0 HG SER A 6 10.396 -11.538 6.773 1.00 0.00 H new ATOM 59 N GLY A 7 6.476 -12.965 7.788 1.00 0.00 N ATOM 60 CA GLY A 7 6.014 -13.150 9.151 1.00 0.00 C ATOM 61 C GLY A 7 4.851 -14.118 9.243 1.00 0.00 C ATOM 62 O GLY A 7 3.704 -13.745 9.003 1.00 0.00 O ATOM 0 H GLY A 7 6.557 -13.823 7.243 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.837 -13.517 9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.714 -12.187 9.564 1.00 0.00 H new ATOM 66 N ASN A 8 5.149 -15.366 9.590 1.00 0.00 N ATOM 67 CA ASN A 8 4.119 -16.391 9.711 1.00 0.00 C ATOM 68 C ASN A 8 2.851 -15.818 10.338 1.00 0.00 C ATOM 69 O ASN A 8 1.747 -16.040 9.843 1.00 0.00 O ATOM 70 CB ASN A 8 4.632 -17.563 10.551 1.00 0.00 C ATOM 71 CG ASN A 8 3.864 -18.844 10.288 1.00 0.00 C ATOM 72 OD1 ASN A 8 3.231 -19.397 11.187 1.00 0.00 O ATOM 73 ND2 ASN A 8 3.917 -19.321 9.050 1.00 0.00 N ATOM 0 H ASN A 8 6.094 -15.691 9.792 1.00 0.00 H new ATOM 0 HA ASN A 8 3.878 -16.748 8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 8 5.688 -17.725 10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.557 -17.309 11.608 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.420 -20.180 8.813 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.455 -18.829 8.336 1.00 0.00 H new ATOM 80 N ALA A 9 3.020 -15.081 11.431 1.00 0.00 N ATOM 81 CA ALA A 9 1.890 -14.474 12.124 1.00 0.00 C ATOM 82 C ALA A 9 1.278 -13.349 11.296 1.00 0.00 C ATOM 83 O ALA A 9 1.973 -12.608 10.600 1.00 0.00 O ATOM 84 CB ALA A 9 2.325 -13.952 13.485 1.00 0.00 C ATOM 0 H ALA A 9 3.928 -14.890 11.855 1.00 0.00 H new ATOM 0 HA ALA A 9 1.129 -15.241 12.267 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.472 -13.501 13.992 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.709 -14.777 14.085 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.106 -13.203 13.355 1.00 0.00 H new ATOM 90 N PRO A 10 -0.055 -13.218 11.369 1.00 0.00 N ATOM 91 CA PRO A 10 -0.791 -12.186 10.632 1.00 0.00 C ATOM 92 C PRO A 10 -0.524 -10.786 11.174 1.00 0.00 C ATOM 93 O PRO A 10 0.220 -10.613 12.140 1.00 0.00 O ATOM 94 CB PRO A 10 -2.256 -12.573 10.847 1.00 0.00 C ATOM 95 CG PRO A 10 -2.262 -13.339 12.125 1.00 0.00 C ATOM 96 CD PRO A 10 -0.947 -14.066 12.178 1.00 0.00 C ATOM 0 HA PRO A 10 -0.497 -12.146 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.893 -11.691 10.911 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.631 -13.178 10.021 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.374 -12.672 12.980 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.097 -14.039 12.156 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -0.585 -14.168 13.201 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.027 -15.072 11.766 1.00 0.00 H new ATOM 104 N LYS A 11 -1.137 -9.787 10.547 1.00 0.00 N ATOM 105 CA LYS A 11 -0.968 -8.401 10.966 1.00 0.00 C ATOM 106 C LYS A 11 -2.256 -7.610 10.762 1.00 0.00 C ATOM 107 O LYS A 11 -2.803 -7.571 9.659 1.00 0.00 O ATOM 108 CB LYS A 11 0.174 -7.746 10.187 1.00 0.00 C ATOM 109 CG LYS A 11 1.270 -8.718 9.783 1.00 0.00 C ATOM 110 CD LYS A 11 0.981 -9.354 8.433 1.00 0.00 C ATOM 111 CE LYS A 11 2.212 -10.046 7.869 1.00 0.00 C ATOM 112 NZ LYS A 11 3.137 -9.083 7.211 1.00 0.00 N ATOM 0 H LYS A 11 -1.756 -9.912 9.746 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.724 -8.396 12.028 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.231 -7.275 9.291 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.609 -6.953 10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.225 -8.195 9.743 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.365 -9.496 10.540 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.171 -10.076 8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.640 -8.590 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.737 -10.564 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.904 -10.804 7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.963 -9.594 6.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.644 -8.607 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.451 -8.374 7.904 1.00 0.00 H new ATOM 126 N ARG A 12 -2.735 -6.980 11.830 1.00 0.00 N ATOM 127 CA ARG A 12 -3.958 -6.190 11.766 1.00 0.00 C ATOM 128 C ARG A 12 -4.095 -5.508 10.409 1.00 0.00 C ATOM 129 O ARG A 12 -3.143 -4.940 9.873 1.00 0.00 O ATOM 130 CB ARG A 12 -3.971 -5.141 12.880 1.00 0.00 C ATOM 131 CG ARG A 12 -4.131 -5.732 14.271 1.00 0.00 C ATOM 132 CD ARG A 12 -4.045 -4.659 15.345 1.00 0.00 C ATOM 133 NE ARG A 12 -4.494 -5.149 16.646 1.00 0.00 N ATOM 134 CZ ARG A 12 -4.821 -4.353 17.658 1.00 0.00 C ATOM 135 NH1 ARG A 12 -4.749 -3.036 17.520 1.00 0.00 N ATOM 136 NH2 ARG A 12 -5.220 -4.874 18.811 1.00 0.00 N ATOM 0 H ARG A 12 -2.294 -7.002 12.750 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.804 -6.864 11.901 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.043 -4.571 12.841 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.784 -4.439 12.697 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.091 -6.243 14.342 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.357 -6.481 14.441 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.016 -4.308 15.425 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.652 -3.803 15.051 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.560 -6.157 16.785 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.442 -2.632 16.635 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.001 -2.427 18.299 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.276 -5.887 18.921 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.471 -4.262 19.588 1.00 0.00 H new ATOM 150 N PRO A 13 -5.307 -5.563 9.837 1.00 0.00 N ATOM 151 CA PRO A 13 -5.597 -4.956 8.535 1.00 0.00 C ATOM 152 C PRO A 13 -5.586 -3.432 8.590 1.00 0.00 C ATOM 153 O PRO A 13 -5.921 -2.822 9.605 1.00 0.00 O ATOM 154 CB PRO A 13 -7.002 -5.469 8.210 1.00 0.00 C ATOM 155 CG PRO A 13 -7.615 -5.763 9.536 1.00 0.00 C ATOM 156 CD PRO A 13 -6.488 -6.223 10.419 1.00 0.00 C ATOM 0 HA PRO A 13 -4.849 -5.218 7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.579 -4.723 7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.963 -6.361 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.097 -4.877 9.948 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.382 -6.532 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.644 -5.926 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.387 -7.308 10.409 1.00 0.00 H new ATOM 164 N PRO A 14 -5.191 -2.802 7.474 1.00 0.00 N ATOM 165 CA PRO A 14 -5.127 -1.341 7.371 1.00 0.00 C ATOM 166 C PRO A 14 -6.510 -0.700 7.361 1.00 0.00 C ATOM 167 O PRO A 14 -7.527 -1.394 7.366 1.00 0.00 O ATOM 168 CB PRO A 14 -4.421 -1.111 6.032 1.00 0.00 C ATOM 169 CG PRO A 14 -4.708 -2.337 5.237 1.00 0.00 C ATOM 170 CD PRO A 14 -4.776 -3.467 6.227 1.00 0.00 C ATOM 0 HA PRO A 14 -4.613 -0.894 8.222 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.799 -0.218 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.349 -0.970 6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.647 -2.238 4.693 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.928 -2.513 4.497 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.493 -4.228 5.920 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.812 -3.963 6.338 1.00 0.00 H new ATOM 178 N SER A 15 -6.541 0.629 7.346 1.00 0.00 N ATOM 179 CA SER A 15 -7.801 1.364 7.338 1.00 0.00 C ATOM 180 C SER A 15 -7.997 2.093 6.012 1.00 0.00 C ATOM 181 O SER A 15 -7.062 2.235 5.225 1.00 0.00 O ATOM 182 CB SER A 15 -7.838 2.366 8.494 1.00 0.00 C ATOM 183 OG SER A 15 -7.806 1.702 9.745 1.00 0.00 O ATOM 0 H SER A 15 -5.709 1.219 7.339 1.00 0.00 H new ATOM 0 HA SER A 15 -8.612 0.647 7.461 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.989 3.046 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.740 2.974 8.424 1.00 0.00 H new ATOM 0 HG SER A 15 -7.829 2.364 10.467 1.00 0.00 H new ATOM 189 N GLY A 16 -9.221 2.553 5.772 1.00 0.00 N ATOM 190 CA GLY A 16 -9.519 3.262 4.541 1.00 0.00 C ATOM 191 C GLY A 16 -8.550 4.397 4.277 1.00 0.00 C ATOM 192 O GLY A 16 -8.172 4.647 3.132 1.00 0.00 O ATOM 0 H GLY A 16 -10.012 2.447 6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.490 2.562 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.533 3.658 4.590 1.00 0.00 H new ATOM 196 N PHE A 17 -8.147 5.089 5.338 1.00 0.00 N ATOM 197 CA PHE A 17 -7.218 6.206 5.215 1.00 0.00 C ATOM 198 C PHE A 17 -5.805 5.709 4.927 1.00 0.00 C ATOM 199 O PHE A 17 -5.031 6.371 4.235 1.00 0.00 O ATOM 200 CB PHE A 17 -7.226 7.046 6.493 1.00 0.00 C ATOM 201 CG PHE A 17 -5.947 7.800 6.723 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.702 8.992 6.061 1.00 0.00 C ATOM 203 CD2 PHE A 17 -4.990 7.316 7.600 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.526 9.689 6.270 1.00 0.00 C ATOM 205 CE2 PHE A 17 -3.813 8.008 7.814 1.00 0.00 C ATOM 206 CZ PHE A 17 -3.580 9.195 7.147 1.00 0.00 C ATOM 0 H PHE A 17 -8.450 4.896 6.293 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.543 6.826 4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.053 7.755 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.412 6.393 7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.438 9.382 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.166 6.387 8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.348 10.618 5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.076 7.621 8.502 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.660 9.736 7.311 1.00 0.00 H new ATOM 216 N PHE A 18 -5.475 4.539 5.464 1.00 0.00 N ATOM 217 CA PHE A 18 -4.154 3.953 5.268 1.00 0.00 C ATOM 218 C PHE A 18 -3.990 3.451 3.836 1.00 0.00 C ATOM 219 O PHE A 18 -3.025 3.795 3.152 1.00 0.00 O ATOM 220 CB PHE A 18 -3.931 2.804 6.253 1.00 0.00 C ATOM 221 CG PHE A 18 -2.532 2.257 6.230 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.112 1.436 5.197 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.638 2.566 7.242 1.00 0.00 C ATOM 224 CE1 PHE A 18 -0.825 0.932 5.173 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.350 2.065 7.223 1.00 0.00 C ATOM 226 CZ PHE A 18 0.057 1.246 6.188 1.00 0.00 C ATOM 0 H PHE A 18 -6.104 3.978 6.038 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.409 4.727 5.451 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.161 3.150 7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.631 2.000 6.025 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.798 1.187 4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.951 3.205 8.054 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.510 0.293 4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.338 2.314 8.017 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.063 0.852 6.173 1.00 0.00 H new ATOM 236 N LEU A 19 -4.938 2.634 3.390 1.00 0.00 N ATOM 237 CA LEU A 19 -4.899 2.083 2.040 1.00 0.00 C ATOM 238 C LEU A 19 -4.589 3.170 1.016 1.00 0.00 C ATOM 239 O LEU A 19 -3.617 3.073 0.267 1.00 0.00 O ATOM 240 CB LEU A 19 -6.233 1.414 1.703 1.00 0.00 C ATOM 241 CG LEU A 19 -6.514 0.085 2.405 1.00 0.00 C ATOM 242 CD1 LEU A 19 -7.966 -0.325 2.210 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.578 -0.999 1.890 1.00 0.00 C ATOM 0 H LEU A 19 -5.743 2.339 3.943 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.105 1.337 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.037 2.108 1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.272 1.248 0.626 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.335 0.215 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.148 -1.273 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.620 0.441 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.173 -0.437 1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.792 -1.938 2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.725 -1.128 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.545 -0.709 2.082 1.00 0.00 H new ATOM 255 N PHE A 20 -5.420 4.206 0.991 1.00 0.00 N ATOM 256 CA PHE A 20 -5.234 5.313 0.060 1.00 0.00 C ATOM 257 C PHE A 20 -3.887 5.993 0.286 1.00 0.00 C ATOM 258 O PHE A 20 -3.233 6.429 -0.662 1.00 0.00 O ATOM 259 CB PHE A 20 -6.365 6.333 0.215 1.00 0.00 C ATOM 260 CG PHE A 20 -5.992 7.714 -0.241 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.226 8.541 0.565 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.409 8.187 -1.475 1.00 0.00 C ATOM 263 CE1 PHE A 20 -4.881 9.813 0.149 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.067 9.458 -1.897 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.303 10.273 -1.083 1.00 0.00 C ATOM 0 H PHE A 20 -6.229 4.302 1.605 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.253 4.910 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.231 5.993 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.666 6.373 1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.895 8.187 1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.008 7.555 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.282 10.447 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.396 9.814 -2.862 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.037 11.267 -1.410 1.00 0.00 H new ATOM 275 N CYS A 21 -3.480 6.081 1.548 1.00 0.00 N ATOM 276 CA CYS A 21 -2.211 6.709 1.899 1.00 0.00 C ATOM 277 C CYS A 21 -1.043 5.983 1.240 1.00 0.00 C ATOM 278 O CYS A 21 -0.213 6.600 0.572 1.00 0.00 O ATOM 279 CB CYS A 21 -2.028 6.721 3.418 1.00 0.00 C ATOM 280 SG CYS A 21 -2.821 8.119 4.246 1.00 0.00 S ATOM 0 H CYS A 21 -4.010 5.726 2.344 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.229 7.736 1.533 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.429 5.794 3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.962 6.735 3.645 1.00 0.00 H new ATOM 0 HG CYS A 21 -3.999 7.763 4.666 1.00 0.00 H new ATOM 286 N SER A 22 -0.985 4.669 1.432 1.00 0.00 N ATOM 287 CA SER A 22 0.084 3.860 0.860 1.00 0.00 C ATOM 288 C SER A 22 -0.005 3.839 -0.663 1.00 0.00 C ATOM 289 O SER A 22 0.992 3.622 -1.350 1.00 0.00 O ATOM 290 CB SER A 22 0.019 2.432 1.406 1.00 0.00 C ATOM 291 OG SER A 22 1.297 1.821 1.392 1.00 0.00 O ATOM 0 H SER A 22 -1.666 4.142 1.979 1.00 0.00 H new ATOM 0 HA SER A 22 1.036 4.307 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.369 2.446 2.424 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.676 1.842 0.808 1.00 0.00 H new ATOM 0 HG SER A 22 1.228 0.910 1.747 1.00 0.00 H new ATOM 297 N GLU A 23 -1.208 4.067 -1.182 1.00 0.00 N ATOM 298 CA GLU A 23 -1.428 4.073 -2.623 1.00 0.00 C ATOM 299 C GLU A 23 -1.009 5.409 -3.231 1.00 0.00 C ATOM 300 O GLU A 23 -0.504 5.462 -4.353 1.00 0.00 O ATOM 301 CB GLU A 23 -2.899 3.796 -2.938 1.00 0.00 C ATOM 302 CG GLU A 23 -3.240 3.920 -4.414 1.00 0.00 C ATOM 303 CD GLU A 23 -2.868 2.681 -5.205 1.00 0.00 C ATOM 304 OE1 GLU A 23 -2.893 1.576 -4.624 1.00 0.00 O ATOM 305 OE2 GLU A 23 -2.551 2.818 -6.405 1.00 0.00 O ATOM 0 H GLU A 23 -2.044 4.250 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.816 3.285 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.151 2.791 -2.599 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.520 4.489 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.308 4.108 -4.522 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.721 4.783 -4.832 1.00 0.00 H new ATOM 312 N PHE A 24 -1.224 6.486 -2.483 1.00 0.00 N ATOM 313 CA PHE A 24 -0.871 7.822 -2.948 1.00 0.00 C ATOM 314 C PHE A 24 0.542 8.196 -2.509 1.00 0.00 C ATOM 315 O PHE A 24 1.123 9.161 -3.006 1.00 0.00 O ATOM 316 CB PHE A 24 -1.871 8.851 -2.415 1.00 0.00 C ATOM 317 CG PHE A 24 -3.065 9.043 -3.306 1.00 0.00 C ATOM 318 CD1 PHE A 24 -3.794 7.953 -3.754 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.460 10.313 -3.694 1.00 0.00 C ATOM 320 CE1 PHE A 24 -4.892 8.127 -4.574 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.558 10.493 -4.514 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.276 9.398 -4.953 1.00 0.00 C ATOM 0 H PHE A 24 -1.641 6.460 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.906 7.821 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.211 8.538 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.364 9.808 -2.289 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.500 6.956 -3.459 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.903 11.173 -3.352 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.450 7.269 -4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.854 11.488 -4.811 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.136 9.536 -5.591 1.00 0.00 H new ATOM 332 N ARG A 25 1.088 7.424 -1.575 1.00 0.00 N ATOM 333 CA ARG A 25 2.432 7.674 -1.067 1.00 0.00 C ATOM 334 C ARG A 25 3.442 7.735 -2.210 1.00 0.00 C ATOM 335 O ARG A 25 4.298 8.618 -2.267 1.00 0.00 O ATOM 336 CB ARG A 25 2.836 6.583 -0.074 1.00 0.00 C ATOM 337 CG ARG A 25 3.761 7.074 1.028 1.00 0.00 C ATOM 338 CD ARG A 25 4.317 5.919 1.845 1.00 0.00 C ATOM 339 NE ARG A 25 4.919 6.373 3.095 1.00 0.00 N ATOM 340 CZ ARG A 25 5.480 5.556 3.980 1.00 0.00 C ATOM 341 NH1 ARG A 25 5.515 4.250 3.753 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.007 6.045 5.096 1.00 0.00 N ATOM 0 H ARG A 25 0.621 6.621 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 25 2.427 8.637 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.937 6.164 0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.327 5.775 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.583 7.639 0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.219 7.756 1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.517 5.212 2.064 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.063 5.385 1.257 1.00 0.00 H new ATOM 0 HE ARG A 25 4.908 7.372 3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.111 3.870 2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.946 3.625 4.434 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.981 7.049 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.437 5.417 5.775 1.00 0.00 H new ATOM 356 N PRO A 26 3.342 6.775 -3.141 1.00 0.00 N ATOM 357 CA PRO A 26 4.238 6.698 -4.298 1.00 0.00 C ATOM 358 C PRO A 26 4.388 8.041 -5.005 1.00 0.00 C ATOM 359 O PRO A 26 5.498 8.464 -5.328 1.00 0.00 O ATOM 360 CB PRO A 26 3.548 5.685 -5.215 1.00 0.00 C ATOM 361 CG PRO A 26 2.742 4.832 -4.297 1.00 0.00 C ATOM 362 CD PRO A 26 2.346 5.690 -3.135 1.00 0.00 C ATOM 0 HA PRO A 26 5.250 6.413 -4.011 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.916 6.183 -5.950 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.276 5.093 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.861 4.443 -4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.322 3.972 -3.961 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.333 6.076 -3.250 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.369 5.131 -2.199 1.00 0.00 H new ATOM 370 N LYS A 27 3.264 8.707 -5.243 1.00 0.00 N ATOM 371 CA LYS A 27 3.269 10.004 -5.911 1.00 0.00 C ATOM 372 C LYS A 27 3.985 11.050 -5.062 1.00 0.00 C ATOM 373 O LYS A 27 4.939 11.682 -5.515 1.00 0.00 O ATOM 374 CB LYS A 27 1.836 10.458 -6.198 1.00 0.00 C ATOM 375 CG LYS A 27 1.048 9.481 -7.054 1.00 0.00 C ATOM 376 CD LYS A 27 -0.446 9.604 -6.807 1.00 0.00 C ATOM 377 CE LYS A 27 -1.204 8.413 -7.374 1.00 0.00 C ATOM 378 NZ LYS A 27 -1.145 8.374 -8.861 1.00 0.00 N ATOM 0 H LYS A 27 2.337 8.370 -4.983 1.00 0.00 H new ATOM 0 HA LYS A 27 3.806 9.898 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.313 10.603 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.864 11.426 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.260 9.665 -8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.371 8.463 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.634 9.680 -5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.817 10.523 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.786 7.491 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.245 8.459 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.673 7.548 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.567 9.242 -9.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.154 8.304 -9.167 1.00 0.00 H new ATOM 392 N ILE A 28 3.519 11.225 -3.830 1.00 0.00 N ATOM 393 CA ILE A 28 4.117 12.193 -2.919 1.00 0.00 C ATOM 394 C ILE A 28 5.635 12.053 -2.887 1.00 0.00 C ATOM 395 O ILE A 28 6.362 13.046 -2.915 1.00 0.00 O ATOM 396 CB ILE A 28 3.568 12.033 -1.489 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.051 12.229 -1.476 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.243 13.020 -0.549 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.440 12.135 -0.095 1.00 0.00 C ATOM 0 H ILE A 28 2.730 10.710 -3.440 1.00 0.00 H new ATOM 0 HA ILE A 28 3.854 13.183 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 28 3.788 11.023 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.815 13.204 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.591 11.479 -2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.844 12.895 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.317 12.837 -0.539 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.052 14.037 -0.891 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.362 12.284 -0.163 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.644 11.151 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.872 12.902 0.547 1.00 0.00 H new ATOM 411 N LYS A 29 6.108 10.813 -2.831 1.00 0.00 N ATOM 412 CA LYS A 29 7.540 10.541 -2.799 1.00 0.00 C ATOM 413 C LYS A 29 8.168 10.767 -4.170 1.00 0.00 C ATOM 414 O LYS A 29 9.384 10.918 -4.290 1.00 0.00 O ATOM 415 CB LYS A 29 7.797 9.104 -2.339 1.00 0.00 C ATOM 416 CG LYS A 29 7.366 8.837 -0.908 1.00 0.00 C ATOM 417 CD LYS A 29 8.212 7.750 -0.264 1.00 0.00 C ATOM 418 CE LYS A 29 9.458 8.328 0.388 1.00 0.00 C ATOM 419 NZ LYS A 29 10.490 8.700 -0.620 1.00 0.00 N ATOM 0 H LYS A 29 5.520 9.980 -2.807 1.00 0.00 H new ATOM 0 HA LYS A 29 7.999 11.231 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.269 8.419 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.860 8.885 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.446 9.755 -0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.317 8.540 -0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.620 7.222 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.501 7.017 -1.018 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.187 9.207 0.972 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.875 7.600 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.422 8.747 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.512 7.985 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.258 9.628 -1.029 1.00 0.00 H new ATOM 433 N SER A 30 7.331 10.791 -5.202 1.00 0.00 N ATOM 434 CA SER A 30 7.804 10.996 -6.566 1.00 0.00 C ATOM 435 C SER A 30 7.665 12.460 -6.975 1.00 0.00 C ATOM 436 O SER A 30 8.192 12.883 -8.004 1.00 0.00 O ATOM 437 CB SER A 30 7.027 10.107 -7.538 1.00 0.00 C ATOM 438 OG SER A 30 7.310 8.737 -7.314 1.00 0.00 O ATOM 0 H SER A 30 6.321 10.671 -5.120 1.00 0.00 H new ATOM 0 HA SER A 30 8.859 10.725 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.958 10.284 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.285 10.372 -8.563 1.00 0.00 H new ATOM 0 HG SER A 30 6.836 8.432 -6.512 1.00 0.00 H new ATOM 444 N THR A 31 6.948 13.229 -6.161 1.00 0.00 N ATOM 445 CA THR A 31 6.737 14.645 -6.437 1.00 0.00 C ATOM 446 C THR A 31 7.577 15.517 -5.510 1.00 0.00 C ATOM 447 O THR A 31 8.126 16.534 -5.930 1.00 0.00 O ATOM 448 CB THR A 31 5.254 15.031 -6.283 1.00 0.00 C ATOM 449 OG1 THR A 31 4.616 14.163 -5.340 1.00 0.00 O ATOM 450 CG2 THR A 31 4.533 14.954 -7.620 1.00 0.00 C ATOM 0 H THR A 31 6.504 12.895 -5.306 1.00 0.00 H new ATOM 0 HA THR A 31 7.044 14.816 -7.469 1.00 0.00 H new ATOM 0 HB THR A 31 5.205 16.058 -5.921 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.509 13.273 -5.735 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.487 15.231 -7.486 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.002 15.639 -8.326 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.592 13.937 -8.007 1.00 0.00 H new ATOM 458 N ASN A 32 7.672 15.111 -4.248 1.00 0.00 N ATOM 459 CA ASN A 32 8.445 15.856 -3.262 1.00 0.00 C ATOM 460 C ASN A 32 9.883 15.349 -3.202 1.00 0.00 C ATOM 461 O ASN A 32 10.142 14.146 -3.149 1.00 0.00 O ATOM 462 CB ASN A 32 7.795 15.743 -1.882 1.00 0.00 C ATOM 463 CG ASN A 32 6.438 16.419 -1.825 1.00 0.00 C ATOM 464 OD1 ASN A 32 5.472 15.866 -2.549 1.00 0.00 O flip ATOM 465 ND2 ASN A 32 6.262 17.425 -1.138 1.00 0.00 N flip ATOM 0 H ASN A 32 7.223 14.270 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 32 8.460 16.903 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.685 14.691 -1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.452 16.190 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.034 17.815 -0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.344 17.869 -1.109 1.00 0.00 H new ATOM 472 N PRO A 33 10.842 16.287 -3.209 1.00 0.00 N ATOM 473 CA PRO A 33 12.270 15.959 -3.155 1.00 0.00 C ATOM 474 C PRO A 33 12.686 15.404 -1.797 1.00 0.00 C ATOM 475 O PRO A 33 12.542 16.071 -0.773 1.00 0.00 O ATOM 476 CB PRO A 33 12.953 17.304 -3.416 1.00 0.00 C ATOM 477 CG PRO A 33 11.960 18.324 -2.976 1.00 0.00 C ATOM 478 CD PRO A 33 10.607 17.739 -3.271 1.00 0.00 C ATOM 0 HA PRO A 33 12.538 15.184 -3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.884 17.391 -2.856 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.203 17.423 -4.470 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.068 18.541 -1.913 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.104 19.264 -3.509 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.864 18.057 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.242 18.045 -4.251 1.00 0.00 H new ATOM 486 N GLY A 34 13.204 14.180 -1.797 1.00 0.00 N ATOM 487 CA GLY A 34 13.634 13.556 -0.558 1.00 0.00 C ATOM 488 C GLY A 34 12.758 13.940 0.618 1.00 0.00 C ATOM 489 O GLY A 34 13.259 14.363 1.661 1.00 0.00 O ATOM 0 H GLY A 34 13.334 13.609 -2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.623 12.473 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.665 13.843 -0.349 1.00 0.00 H new ATOM 493 N ILE A 35 11.448 13.795 0.451 1.00 0.00 N ATOM 494 CA ILE A 35 10.502 14.130 1.507 1.00 0.00 C ATOM 495 C ILE A 35 10.736 13.274 2.747 1.00 0.00 C ATOM 496 O ILE A 35 11.166 12.125 2.649 1.00 0.00 O ATOM 497 CB ILE A 35 9.046 13.947 1.039 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.078 14.537 2.066 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.746 12.474 0.805 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.680 14.747 1.529 1.00 0.00 C ATOM 0 H ILE A 35 11.018 13.448 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 35 10.666 15.179 1.755 1.00 0.00 H new ATOM 0 HB ILE A 35 8.914 14.479 0.097 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.031 13.875 2.930 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.471 15.491 2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.713 12.361 0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.417 12.083 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.893 11.921 1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.049 15.168 2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.715 15.433 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.267 13.792 1.205 1.00 0.00 H new ATOM 512 N SER A 36 10.449 13.841 3.914 1.00 0.00 N ATOM 513 CA SER A 36 10.630 13.131 5.175 1.00 0.00 C ATOM 514 C SER A 36 9.332 12.457 5.610 1.00 0.00 C ATOM 515 O SER A 36 8.251 13.033 5.490 1.00 0.00 O ATOM 516 CB SER A 36 11.108 14.094 6.264 1.00 0.00 C ATOM 517 OG SER A 36 12.309 14.741 5.881 1.00 0.00 O ATOM 0 H SER A 36 10.090 14.791 4.013 1.00 0.00 H new ATOM 0 HA SER A 36 11.386 12.361 5.024 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.336 14.839 6.460 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.266 13.547 7.194 1.00 0.00 H new ATOM 0 HG SER A 36 12.593 15.352 6.593 1.00 0.00 H new ATOM 523 N ILE A 37 9.449 11.234 6.116 1.00 0.00 N ATOM 524 CA ILE A 37 8.287 10.481 6.570 1.00 0.00 C ATOM 525 C ILE A 37 7.238 11.404 7.180 1.00 0.00 C ATOM 526 O ILE A 37 6.056 11.325 6.848 1.00 0.00 O ATOM 527 CB ILE A 37 8.678 9.411 7.606 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.654 8.406 6.990 1.00 0.00 C ATOM 529 CG2 ILE A 37 7.438 8.702 8.129 1.00 0.00 C ATOM 530 CD1 ILE A 37 9.041 7.563 5.894 1.00 0.00 C ATOM 0 H ILE A 37 10.337 10.744 6.222 1.00 0.00 H new ATOM 0 HA ILE A 37 7.868 9.988 5.692 1.00 0.00 H new ATOM 0 HB ILE A 37 9.172 9.902 8.444 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.511 8.945 6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.031 7.750 7.775 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.731 7.949 8.860 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.776 9.428 8.601 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.918 8.221 7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.790 6.874 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.201 6.997 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.690 8.210 5.091 1.00 0.00 H new ATOM 542 N GLY A 38 7.680 12.283 8.075 1.00 0.00 N ATOM 543 CA GLY A 38 6.767 13.211 8.717 1.00 0.00 C ATOM 544 C GLY A 38 5.988 14.043 7.718 1.00 0.00 C ATOM 545 O GLY A 38 4.761 14.113 7.781 1.00 0.00 O ATOM 0 H GLY A 38 8.654 12.369 8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.070 12.655 9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.330 13.873 9.376 1.00 0.00 H new ATOM 549 N ASP A 39 6.702 14.676 6.794 1.00 0.00 N ATOM 550 CA ASP A 39 6.070 15.508 5.776 1.00 0.00 C ATOM 551 C ASP A 39 4.934 14.757 5.088 1.00 0.00 C ATOM 552 O ASP A 39 3.795 15.222 5.062 1.00 0.00 O ATOM 553 CB ASP A 39 7.102 15.957 4.741 1.00 0.00 C ATOM 554 CG ASP A 39 7.893 17.166 5.199 1.00 0.00 C ATOM 555 OD1 ASP A 39 8.271 17.213 6.388 1.00 0.00 O ATOM 556 OD2 ASP A 39 8.135 18.066 4.367 1.00 0.00 O ATOM 0 H ASP A 39 7.719 14.629 6.729 1.00 0.00 H new ATOM 0 HA ASP A 39 5.654 16.387 6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.787 15.135 4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.595 16.191 3.805 1.00 0.00 H new ATOM 561 N VAL A 40 5.254 13.593 4.531 1.00 0.00 N ATOM 562 CA VAL A 40 4.261 12.777 3.843 1.00 0.00 C ATOM 563 C VAL A 40 3.010 12.596 4.697 1.00 0.00 C ATOM 564 O VAL A 40 1.890 12.629 4.189 1.00 0.00 O ATOM 565 CB VAL A 40 4.826 11.390 3.481 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.734 10.500 2.909 1.00 0.00 C ATOM 567 CG2 VAL A 40 5.982 11.527 2.501 1.00 0.00 C ATOM 0 H VAL A 40 6.193 13.194 4.543 1.00 0.00 H new ATOM 0 HA VAL A 40 3.999 13.305 2.926 1.00 0.00 H new ATOM 0 HB VAL A 40 5.203 10.921 4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.153 9.525 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.941 10.377 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.324 10.960 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.370 10.538 2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.632 12.016 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.773 12.125 2.953 1.00 0.00 H new ATOM 577 N ALA A 41 3.211 12.405 5.997 1.00 0.00 N ATOM 578 CA ALA A 41 2.099 12.222 6.922 1.00 0.00 C ATOM 579 C ALA A 41 1.167 13.429 6.906 1.00 0.00 C ATOM 580 O ALA A 41 -0.049 13.285 6.779 1.00 0.00 O ATOM 581 CB ALA A 41 2.620 11.973 8.330 1.00 0.00 C ATOM 0 H ALA A 41 4.133 12.373 6.433 1.00 0.00 H new ATOM 0 HA ALA A 41 1.528 11.352 6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.779 11.838 9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.239 11.076 8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.216 12.827 8.654 1.00 0.00 H new ATOM 587 N LYS A 42 1.745 14.618 7.038 1.00 0.00 N ATOM 588 CA LYS A 42 0.966 15.851 7.038 1.00 0.00 C ATOM 589 C LYS A 42 0.122 15.962 5.773 1.00 0.00 C ATOM 590 O LYS A 42 -1.080 16.222 5.837 1.00 0.00 O ATOM 591 CB LYS A 42 1.893 17.063 7.154 1.00 0.00 C ATOM 592 CG LYS A 42 1.201 18.310 7.677 1.00 0.00 C ATOM 593 CD LYS A 42 2.187 19.448 7.888 1.00 0.00 C ATOM 594 CE LYS A 42 1.614 20.518 8.805 1.00 0.00 C ATOM 595 NZ LYS A 42 2.279 21.835 8.601 1.00 0.00 N ATOM 0 H LYS A 42 2.750 14.754 7.146 1.00 0.00 H new ATOM 0 HA LYS A 42 0.297 15.829 7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.723 16.813 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.320 17.278 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.430 18.622 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.700 18.082 8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.110 19.057 8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.444 19.891 6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.544 20.619 8.622 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.732 20.208 9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.861 22.538 9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.296 21.745 8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.145 22.143 7.617 1.00 0.00 H new ATOM 609 N LYS A 43 0.757 15.762 4.624 1.00 0.00 N ATOM 610 CA LYS A 43 0.065 15.836 3.343 1.00 0.00 C ATOM 611 C LYS A 43 -1.042 14.790 3.261 1.00 0.00 C ATOM 612 O LYS A 43 -2.200 15.116 2.996 1.00 0.00 O ATOM 613 CB LYS A 43 1.054 15.638 2.192 1.00 0.00 C ATOM 614 CG LYS A 43 1.753 16.917 1.764 1.00 0.00 C ATOM 615 CD LYS A 43 2.811 16.647 0.707 1.00 0.00 C ATOM 616 CE LYS A 43 2.190 16.464 -0.670 1.00 0.00 C ATOM 617 NZ LYS A 43 1.697 17.752 -1.232 1.00 0.00 N ATOM 0 H LYS A 43 1.752 15.547 4.553 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.386 16.825 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.805 14.906 2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.524 15.220 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.018 17.621 1.373 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.216 17.388 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.520 17.475 0.680 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.375 15.753 0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.927 16.031 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.364 15.756 -0.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.502 17.636 -2.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.824 18.033 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.420 18.488 -1.101 1.00 0.00 H new ATOM 631 N LEU A 44 -0.680 13.533 3.492 1.00 0.00 N ATOM 632 CA LEU A 44 -1.643 12.438 3.446 1.00 0.00 C ATOM 633 C LEU A 44 -2.939 12.823 4.153 1.00 0.00 C ATOM 634 O LEU A 44 -4.026 12.690 3.594 1.00 0.00 O ATOM 635 CB LEU A 44 -1.050 11.184 4.090 1.00 0.00 C ATOM 636 CG LEU A 44 -0.083 10.378 3.223 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.569 9.271 4.038 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.805 9.798 2.015 1.00 0.00 C ATOM 0 H LEU A 44 0.274 13.246 3.713 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.869 12.229 2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.530 11.479 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.870 10.531 4.388 1.00 0.00 H new ATOM 0 HG LEU A 44 0.699 11.048 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.254 8.708 3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.121 9.708 4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.200 8.602 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.101 9.228 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.608 9.143 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.224 10.608 1.418 1.00 0.00 H new ATOM 650 N GLY A 45 -2.814 13.303 5.387 1.00 0.00 N ATOM 651 CA GLY A 45 -3.982 13.702 6.150 1.00 0.00 C ATOM 652 C GLY A 45 -4.879 14.653 5.382 1.00 0.00 C ATOM 653 O GLY A 45 -6.096 14.477 5.349 1.00 0.00 O ATOM 0 H GLY A 45 -1.924 13.423 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.551 12.815 6.428 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.662 14.178 7.077 1.00 0.00 H new ATOM 657 N GLU A 46 -4.276 15.664 4.764 1.00 0.00 N ATOM 658 CA GLU A 46 -5.030 16.647 3.995 1.00 0.00 C ATOM 659 C GLU A 46 -5.707 15.995 2.793 1.00 0.00 C ATOM 660 O GLU A 46 -6.922 16.090 2.625 1.00 0.00 O ATOM 661 CB GLU A 46 -4.109 17.775 3.526 1.00 0.00 C ATOM 662 CG GLU A 46 -4.012 18.930 4.508 1.00 0.00 C ATOM 663 CD GLU A 46 -5.190 19.879 4.411 1.00 0.00 C ATOM 664 OE1 GLU A 46 -5.421 20.426 3.312 1.00 0.00 O ATOM 665 OE2 GLU A 46 -5.881 20.076 5.432 1.00 0.00 O ATOM 0 H GLU A 46 -3.269 15.824 4.781 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.802 17.063 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.112 17.370 3.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.469 18.152 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.951 18.535 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.090 19.482 4.324 1.00 0.00 H new ATOM 672 N MET A 47 -4.911 15.332 1.960 1.00 0.00 N ATOM 673 CA MET A 47 -5.433 14.664 0.774 1.00 0.00 C ATOM 674 C MET A 47 -6.667 13.834 1.116 1.00 0.00 C ATOM 675 O MET A 47 -7.650 13.832 0.376 1.00 0.00 O ATOM 676 CB MET A 47 -4.359 13.769 0.152 1.00 0.00 C ATOM 677 CG MET A 47 -3.054 14.495 -0.132 1.00 0.00 C ATOM 678 SD MET A 47 -2.076 13.688 -1.415 1.00 0.00 S ATOM 679 CE MET A 47 -2.108 11.990 -0.846 1.00 0.00 C ATOM 0 H MET A 47 -3.903 15.243 2.085 1.00 0.00 H new ATOM 0 HA MET A 47 -5.720 15.430 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.162 12.932 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 47 -4.742 13.349 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.271 15.519 -0.436 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.467 14.552 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.178 11.495 -1.125 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.218 11.972 0.238 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.948 11.468 -1.304 1.00 0.00 H new ATOM 689 N TRP A 48 -6.607 13.131 2.242 1.00 0.00 N ATOM 690 CA TRP A 48 -7.720 12.297 2.681 1.00 0.00 C ATOM 691 C TRP A 48 -8.944 13.148 3.004 1.00 0.00 C ATOM 692 O TRP A 48 -10.003 12.983 2.401 1.00 0.00 O ATOM 693 CB TRP A 48 -7.316 11.476 3.907 1.00 0.00 C ATOM 694 CG TRP A 48 -8.438 10.655 4.467 1.00 0.00 C ATOM 695 CD1 TRP A 48 -9.138 10.898 5.614 1.00 0.00 C ATOM 696 CD2 TRP A 48 -8.986 9.457 3.907 1.00 0.00 C ATOM 697 NE1 TRP A 48 -10.089 9.924 5.800 1.00 0.00 N ATOM 698 CE2 TRP A 48 -10.017 9.029 4.766 1.00 0.00 C ATOM 699 CE3 TRP A 48 -8.708 8.706 2.761 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.767 7.883 4.515 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.454 7.569 2.514 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.473 7.167 3.386 1.00 0.00 C ATOM 0 H TRP A 48 -5.801 13.122 2.867 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.977 11.619 1.867 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.491 10.816 3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.946 12.149 4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.969 11.733 6.278 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.743 9.875 6.582 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.925 9.009 2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.553 7.570 5.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.247 6.980 1.633 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.038 6.274 3.163 1.00 0.00 H new ATOM 713 N ASN A 49 -8.790 14.059 3.960 1.00 0.00 N ATOM 714 CA ASN A 49 -9.884 14.936 4.363 1.00 0.00 C ATOM 715 C ASN A 49 -10.520 15.605 3.149 1.00 0.00 C ATOM 716 O ASN A 49 -11.684 16.001 3.185 1.00 0.00 O ATOM 717 CB ASN A 49 -9.378 16.000 5.340 1.00 0.00 C ATOM 718 CG ASN A 49 -10.511 16.754 6.009 1.00 0.00 C ATOM 719 OD1 ASN A 49 -10.627 17.972 5.871 1.00 0.00 O ATOM 720 ND2 ASN A 49 -11.352 16.031 6.741 1.00 0.00 N ATOM 0 H ASN A 49 -7.919 14.209 4.470 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.641 14.328 4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.761 15.525 6.103 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.740 16.705 4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -12.133 16.483 7.217 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.217 15.024 6.827 1.00 0.00 H new ATOM 727 N ASN A 50 -9.747 15.727 2.074 1.00 0.00 N ATOM 728 CA ASN A 50 -10.235 16.348 0.848 1.00 0.00 C ATOM 729 C ASN A 50 -11.170 15.406 0.096 1.00 0.00 C ATOM 730 O ASN A 50 -12.182 15.832 -0.462 1.00 0.00 O ATOM 731 CB ASN A 50 -9.062 16.745 -0.049 1.00 0.00 C ATOM 732 CG ASN A 50 -8.544 18.137 0.257 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.135 19.135 -0.153 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.433 18.208 0.982 1.00 0.00 N ATOM 0 H ASN A 50 -8.781 15.404 2.027 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.793 17.243 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.254 16.024 0.075 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.374 16.698 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.037 19.117 1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.977 17.353 1.301 1.00 0.00 H new ATOM 741 N LEU A 51 -10.824 14.123 0.084 1.00 0.00 N ATOM 742 CA LEU A 51 -11.632 13.119 -0.599 1.00 0.00 C ATOM 743 C LEU A 51 -13.103 13.252 -0.218 1.00 0.00 C ATOM 744 O LEU A 51 -13.433 13.749 0.858 1.00 0.00 O ATOM 745 CB LEU A 51 -11.130 11.715 -0.259 1.00 0.00 C ATOM 746 CG LEU A 51 -9.790 11.313 -0.876 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.155 10.182 -0.083 1.00 0.00 C ATOM 748 CD2 LEU A 51 -9.973 10.909 -2.332 1.00 0.00 C ATOM 0 H LEU A 51 -9.989 13.754 0.540 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.538 13.282 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.047 11.633 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.884 10.995 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.122 12.174 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.202 9.909 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.988 10.507 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.819 9.318 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.009 10.626 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.658 10.063 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.383 11.748 -2.894 1.00 0.00 H new ATOM 760 N ASN A 52 -13.982 12.802 -1.108 1.00 0.00 N ATOM 761 CA ASN A 52 -15.419 12.870 -0.864 1.00 0.00 C ATOM 762 C ASN A 52 -15.942 11.540 -0.328 1.00 0.00 C ATOM 763 O ASN A 52 -15.262 10.517 -0.406 1.00 0.00 O ATOM 764 CB ASN A 52 -16.159 13.241 -2.150 1.00 0.00 C ATOM 765 CG ASN A 52 -17.652 12.999 -2.049 1.00 0.00 C ATOM 766 OD1 ASN A 52 -18.180 12.175 -2.946 1.00 0.00 O flip ATOM 767 ND2 ASN A 52 -18.323 13.547 -1.174 1.00 0.00 N flip ATOM 0 H ASN A 52 -13.725 12.387 -2.004 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.600 13.641 -0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.979 14.291 -2.379 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.755 12.660 -2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.875 14.173 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.327 13.375 -1.118 1.00 0.00 H new ATOM 774 N ASP A 53 -17.155 11.564 0.214 1.00 0.00 N ATOM 775 CA ASP A 53 -17.771 10.361 0.761 1.00 0.00 C ATOM 776 C ASP A 53 -17.888 9.277 -0.306 1.00 0.00 C ATOM 777 O ASP A 53 -18.117 8.108 0.005 1.00 0.00 O ATOM 778 CB ASP A 53 -19.154 10.684 1.330 1.00 0.00 C ATOM 779 CG ASP A 53 -19.106 11.778 2.379 1.00 0.00 C ATOM 780 OD1 ASP A 53 -18.662 12.898 2.049 1.00 0.00 O ATOM 781 OD2 ASP A 53 -19.515 11.515 3.529 1.00 0.00 O ATOM 0 H ASP A 53 -17.731 12.403 0.286 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.134 9.989 1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.815 10.990 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.583 9.783 1.768 1.00 0.00 H new ATOM 786 N SER A 54 -17.729 9.673 -1.565 1.00 0.00 N ATOM 787 CA SER A 54 -17.822 8.737 -2.679 1.00 0.00 C ATOM 788 C SER A 54 -16.437 8.248 -3.093 1.00 0.00 C ATOM 789 O SER A 54 -16.304 7.215 -3.749 1.00 0.00 O ATOM 790 CB SER A 54 -18.521 9.395 -3.870 1.00 0.00 C ATOM 791 OG SER A 54 -19.059 8.421 -4.747 1.00 0.00 O ATOM 0 H SER A 54 -17.535 10.636 -1.839 1.00 0.00 H new ATOM 0 HA SER A 54 -18.409 7.879 -2.353 1.00 0.00 H new ATOM 0 HB2 SER A 54 -19.318 10.047 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.813 10.023 -4.410 1.00 0.00 H new ATOM 0 HG SER A 54 -19.502 8.867 -5.499 1.00 0.00 H new ATOM 797 N GLU A 55 -15.411 8.998 -2.706 1.00 0.00 N ATOM 798 CA GLU A 55 -14.037 8.641 -3.038 1.00 0.00 C ATOM 799 C GLU A 55 -13.488 7.614 -2.052 1.00 0.00 C ATOM 800 O GLU A 55 -12.716 6.729 -2.425 1.00 0.00 O ATOM 801 CB GLU A 55 -13.149 9.888 -3.039 1.00 0.00 C ATOM 802 CG GLU A 55 -13.409 10.819 -4.211 1.00 0.00 C ATOM 803 CD GLU A 55 -13.002 10.213 -5.540 1.00 0.00 C ATOM 804 OE1 GLU A 55 -11.824 10.363 -5.925 1.00 0.00 O ATOM 805 OE2 GLU A 55 -13.862 9.587 -6.194 1.00 0.00 O ATOM 0 H GLU A 55 -15.505 9.856 -2.163 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.034 8.200 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.305 10.435 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.104 9.579 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -14.469 11.072 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.863 11.750 -4.058 1.00 0.00 H new ATOM 812 N LYS A 56 -13.891 7.737 -0.792 1.00 0.00 N ATOM 813 CA LYS A 56 -13.441 6.820 0.249 1.00 0.00 C ATOM 814 C LYS A 56 -14.221 5.510 0.194 1.00 0.00 C ATOM 815 O LYS A 56 -13.756 4.481 0.681 1.00 0.00 O ATOM 816 CB LYS A 56 -13.601 7.464 1.628 1.00 0.00 C ATOM 817 CG LYS A 56 -12.950 8.831 1.740 1.00 0.00 C ATOM 818 CD LYS A 56 -13.387 9.555 3.002 1.00 0.00 C ATOM 819 CE LYS A 56 -12.582 10.827 3.223 1.00 0.00 C ATOM 820 NZ LYS A 56 -13.123 11.638 4.348 1.00 0.00 N ATOM 0 H LYS A 56 -14.529 8.463 -0.467 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.387 6.602 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.663 7.557 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.171 6.803 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.866 8.720 1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.209 9.431 0.867 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.447 9.801 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.269 8.895 3.861 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.543 10.568 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.587 11.423 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.547 12.496 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.106 11.907 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.095 11.079 5.224 1.00 0.00 H new ATOM 834 N GLN A 57 -15.408 5.558 -0.403 1.00 0.00 N ATOM 835 CA GLN A 57 -16.251 4.374 -0.522 1.00 0.00 C ATOM 836 C GLN A 57 -15.423 3.152 -0.904 1.00 0.00 C ATOM 837 O GLN A 57 -15.393 2.145 -0.196 1.00 0.00 O ATOM 838 CB GLN A 57 -17.349 4.607 -1.561 1.00 0.00 C ATOM 839 CG GLN A 57 -18.649 5.125 -0.967 1.00 0.00 C ATOM 840 CD GLN A 57 -19.414 4.055 -0.214 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.048 3.188 -0.816 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.358 4.109 1.112 1.00 0.00 N ATOM 0 H GLN A 57 -15.807 6.403 -0.811 1.00 0.00 H new ATOM 0 HA GLN A 57 -16.712 4.188 0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.990 5.319 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.546 3.672 -2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.431 5.953 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.276 5.521 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -18.821 4.845 1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.852 3.415 1.672 1.00 0.00 H new ATOM 851 N PRO A 58 -14.733 3.240 -2.051 1.00 0.00 N ATOM 852 CA PRO A 58 -13.891 2.150 -2.554 1.00 0.00 C ATOM 853 C PRO A 58 -12.642 1.943 -1.704 1.00 0.00 C ATOM 854 O PRO A 58 -11.937 0.944 -1.852 1.00 0.00 O ATOM 855 CB PRO A 58 -13.510 2.616 -3.961 1.00 0.00 C ATOM 856 CG PRO A 58 -13.607 4.102 -3.907 1.00 0.00 C ATOM 857 CD PRO A 58 -14.721 4.409 -2.946 1.00 0.00 C ATOM 0 HA PRO A 58 -14.410 1.192 -2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.503 2.294 -4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.184 2.202 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -12.669 4.542 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -13.817 4.516 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -14.535 5.333 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -15.674 4.530 -3.461 1.00 0.00 H new ATOM 865 N TYR A 59 -12.374 2.893 -0.815 1.00 0.00 N ATOM 866 CA TYR A 59 -11.208 2.815 0.057 1.00 0.00 C ATOM 867 C TYR A 59 -11.577 2.211 1.409 1.00 0.00 C ATOM 868 O TYR A 59 -10.726 1.661 2.109 1.00 0.00 O ATOM 869 CB TYR A 59 -10.601 4.205 0.257 1.00 0.00 C ATOM 870 CG TYR A 59 -9.764 4.674 -0.912 1.00 0.00 C ATOM 871 CD1 TYR A 59 -8.683 3.926 -1.363 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.054 5.864 -1.567 1.00 0.00 C ATOM 873 CE1 TYR A 59 -7.916 4.350 -2.430 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.293 6.296 -2.636 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.225 5.536 -3.063 1.00 0.00 C ATOM 876 OH TYR A 59 -7.463 5.962 -4.127 1.00 0.00 O ATOM 0 H TYR A 59 -12.948 3.725 -0.679 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.472 2.169 -0.421 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.404 4.922 0.429 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.983 4.197 1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.439 2.997 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.889 6.462 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.079 3.757 -2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.533 7.224 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.743 6.543 -3.802 1.00 0.00 H new ATOM 886 N ILE A 60 -12.852 2.316 1.767 1.00 0.00 N ATOM 887 CA ILE A 60 -13.336 1.779 3.033 1.00 0.00 C ATOM 888 C ILE A 60 -13.726 0.311 2.894 1.00 0.00 C ATOM 889 O ILE A 60 -13.348 -0.524 3.716 1.00 0.00 O ATOM 890 CB ILE A 60 -14.547 2.573 3.556 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.144 4.018 3.860 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.123 1.906 4.796 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.322 4.937 4.096 1.00 0.00 C ATOM 0 H ILE A 60 -13.568 2.768 1.199 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.518 1.869 3.747 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.316 2.585 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.502 4.030 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.553 4.404 3.030 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -15.978 2.479 5.153 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.442 0.893 4.549 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.362 1.867 5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -14.962 5.944 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -15.953 4.955 3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -15.901 4.575 4.945 1.00 0.00 H new ATOM 905 N THR A 61 -14.484 0.003 1.846 1.00 0.00 N ATOM 906 CA THR A 61 -14.926 -1.364 1.598 1.00 0.00 C ATOM 907 C THR A 61 -13.740 -2.317 1.511 1.00 0.00 C ATOM 908 O THR A 61 -13.818 -3.465 1.951 1.00 0.00 O ATOM 909 CB THR A 61 -15.746 -1.462 0.298 1.00 0.00 C ATOM 910 OG1 THR A 61 -16.863 -0.568 0.355 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.239 -2.884 0.075 1.00 0.00 C ATOM 0 H THR A 61 -14.805 0.682 1.155 1.00 0.00 H new ATOM 0 HA THR A 61 -15.558 -1.650 2.439 1.00 0.00 H new ATOM 0 HB THR A 61 -15.100 -1.183 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.558 0.347 0.183 1.00 0.00 H new ATOM 0 HG21 THR A 61 -16.816 -2.929 -0.849 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.385 -3.558 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 61 -16.870 -3.186 0.911 1.00 0.00 H new ATOM 919 N LYS A 62 -12.640 -1.836 0.940 1.00 0.00 N ATOM 920 CA LYS A 62 -11.436 -2.645 0.797 1.00 0.00 C ATOM 921 C LYS A 62 -10.965 -3.165 2.151 1.00 0.00 C ATOM 922 O LYS A 62 -10.713 -4.358 2.314 1.00 0.00 O ATOM 923 CB LYS A 62 -10.323 -1.826 0.138 1.00 0.00 C ATOM 924 CG LYS A 62 -9.027 -2.597 -0.043 1.00 0.00 C ATOM 925 CD LYS A 62 -8.999 -3.339 -1.369 1.00 0.00 C ATOM 926 CE LYS A 62 -7.665 -4.034 -1.592 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.666 -3.127 -2.223 1.00 0.00 N ATOM 0 H LYS A 62 -12.558 -0.889 0.569 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.675 -3.499 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.668 -1.477 -0.836 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.128 -0.941 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.183 -1.909 0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.908 -3.308 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.802 -4.076 -1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.186 -2.638 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.278 -4.393 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.813 -4.909 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.770 -3.638 -2.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.023 -2.804 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.506 -2.305 -1.607 1.00 0.00 H new ATOM 941 N ALA A 63 -10.849 -2.262 3.119 1.00 0.00 N ATOM 942 CA ALA A 63 -10.412 -2.631 4.460 1.00 0.00 C ATOM 943 C ALA A 63 -11.325 -3.693 5.062 1.00 0.00 C ATOM 944 O ALA A 63 -10.873 -4.566 5.803 1.00 0.00 O ATOM 945 CB ALA A 63 -10.366 -1.402 5.356 1.00 0.00 C ATOM 0 H ALA A 63 -11.052 -1.269 3.000 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.409 -3.052 4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.038 -1.692 6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.667 -0.675 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.359 -0.957 5.415 1.00 0.00 H new ATOM 951 N ALA A 64 -12.612 -3.613 4.739 1.00 0.00 N ATOM 952 CA ALA A 64 -13.588 -4.569 5.247 1.00 0.00 C ATOM 953 C ALA A 64 -13.272 -5.983 4.769 1.00 0.00 C ATOM 954 O ALA A 64 -13.426 -6.950 5.515 1.00 0.00 O ATOM 955 CB ALA A 64 -14.992 -4.167 4.821 1.00 0.00 C ATOM 0 H ALA A 64 -13.003 -2.896 4.128 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.535 -4.561 6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.710 -4.890 5.207 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.223 -3.178 5.217 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.050 -4.144 3.733 1.00 0.00 H new ATOM 961 N LYS A 65 -12.831 -6.096 3.521 1.00 0.00 N ATOM 962 CA LYS A 65 -12.493 -7.391 2.943 1.00 0.00 C ATOM 963 C LYS A 65 -11.224 -7.953 3.573 1.00 0.00 C ATOM 964 O LYS A 65 -10.973 -9.158 3.521 1.00 0.00 O ATOM 965 CB LYS A 65 -12.311 -7.264 1.429 1.00 0.00 C ATOM 966 CG LYS A 65 -13.568 -6.823 0.699 1.00 0.00 C ATOM 967 CD LYS A 65 -13.558 -7.275 -0.752 1.00 0.00 C ATOM 968 CE LYS A 65 -14.343 -6.319 -1.638 1.00 0.00 C ATOM 969 NZ LYS A 65 -15.811 -6.543 -1.530 1.00 0.00 N ATOM 0 H LYS A 65 -12.699 -5.306 2.890 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.314 -8.078 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.514 -6.549 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.987 -8.225 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.444 -7.232 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.653 -5.737 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.529 -7.340 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.985 -8.275 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.111 -5.291 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.031 -6.446 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.311 -5.873 -2.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -16.036 -7.516 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -16.113 -6.397 -0.546 1.00 0.00 H new ATOM 983 N LEU A 66 -10.426 -7.075 4.171 1.00 0.00 N ATOM 984 CA LEU A 66 -9.182 -7.485 4.813 1.00 0.00 C ATOM 985 C LEU A 66 -9.441 -7.992 6.228 1.00 0.00 C ATOM 986 O LEU A 66 -8.776 -8.915 6.700 1.00 0.00 O ATOM 987 CB LEU A 66 -8.196 -6.316 4.851 1.00 0.00 C ATOM 988 CG LEU A 66 -7.331 -6.126 3.604 1.00 0.00 C ATOM 989 CD1 LEU A 66 -6.784 -4.708 3.545 1.00 0.00 C ATOM 990 CD2 LEU A 66 -6.196 -7.139 3.583 1.00 0.00 C ATOM 0 H LEU A 66 -10.618 -6.075 4.225 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.751 -8.298 4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.758 -5.398 5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.537 -6.450 5.709 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.954 -6.290 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.171 -4.591 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.612 -4.000 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.177 -4.515 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.591 -6.989 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.574 -7.007 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.609 -8.148 3.577 1.00 0.00 H new ATOM 1002 N LYS A 67 -10.414 -7.385 6.900 1.00 0.00 N ATOM 1003 CA LYS A 67 -10.765 -7.777 8.260 1.00 0.00 C ATOM 1004 C LYS A 67 -11.281 -9.212 8.296 1.00 0.00 C ATOM 1005 O LYS A 67 -10.924 -9.986 9.184 1.00 0.00 O ATOM 1006 CB LYS A 67 -11.824 -6.829 8.828 1.00 0.00 C ATOM 1007 CG LYS A 67 -12.336 -7.240 10.197 1.00 0.00 C ATOM 1008 CD LYS A 67 -13.728 -6.690 10.460 1.00 0.00 C ATOM 1009 CE LYS A 67 -14.282 -7.186 11.787 1.00 0.00 C ATOM 1010 NZ LYS A 67 -13.782 -6.379 12.934 1.00 0.00 N ATOM 0 H LYS A 67 -10.974 -6.619 6.524 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.866 -7.717 8.873 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.404 -5.825 8.893 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.664 -6.779 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.354 -8.328 10.268 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.651 -6.882 10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.695 -5.600 10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.396 -6.987 9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.371 -7.147 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.004 -8.230 11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.183 -6.749 13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.744 -6.437 12.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.069 -5.387 12.812 1.00 0.00 H new ATOM 1024 N GLU A 68 -12.120 -9.560 7.326 1.00 0.00 N ATOM 1025 CA GLU A 68 -12.683 -10.903 7.249 1.00 0.00 C ATOM 1026 C GLU A 68 -11.578 -11.954 7.207 1.00 0.00 C ATOM 1027 O GLU A 68 -11.737 -13.060 7.725 1.00 0.00 O ATOM 1028 CB GLU A 68 -13.575 -11.035 6.013 1.00 0.00 C ATOM 1029 CG GLU A 68 -12.858 -10.731 4.708 1.00 0.00 C ATOM 1030 CD GLU A 68 -13.523 -11.380 3.511 1.00 0.00 C ATOM 1031 OE1 GLU A 68 -14.769 -11.347 3.434 1.00 0.00 O ATOM 1032 OE2 GLU A 68 -12.798 -11.920 2.650 1.00 0.00 O ATOM 0 H GLU A 68 -12.425 -8.931 6.583 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.285 -11.069 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -13.975 -12.048 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -14.426 -10.361 6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.825 -9.652 4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.826 -11.075 4.776 1.00 0.00 H new ATOM 1039 N LYS A 69 -10.457 -11.602 6.586 1.00 0.00 N ATOM 1040 CA LYS A 69 -9.324 -12.513 6.476 1.00 0.00 C ATOM 1041 C LYS A 69 -8.523 -12.544 7.774 1.00 0.00 C ATOM 1042 O LYS A 69 -8.195 -13.615 8.287 1.00 0.00 O ATOM 1043 CB LYS A 69 -8.419 -12.096 5.315 1.00 0.00 C ATOM 1044 CG LYS A 69 -7.690 -13.258 4.664 1.00 0.00 C ATOM 1045 CD LYS A 69 -7.189 -12.895 3.276 1.00 0.00 C ATOM 1046 CE LYS A 69 -6.034 -11.906 3.342 1.00 0.00 C ATOM 1047 NZ LYS A 69 -5.566 -11.509 1.985 1.00 0.00 N ATOM 0 H LYS A 69 -10.309 -10.691 6.151 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.711 -13.514 6.285 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.020 -11.587 4.561 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.686 -11.375 5.678 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.848 -13.557 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.358 -14.117 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.868 -13.798 2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.005 -12.466 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.347 -11.019 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.207 -12.350 3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.779 -10.835 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.244 -12.352 1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.348 -11.062 1.465 1.00 0.00 H new ATOM 1061 N TYR A 70 -8.213 -11.365 8.301 1.00 0.00 N ATOM 1062 CA TYR A 70 -7.449 -11.258 9.538 1.00 0.00 C ATOM 1063 C TYR A 70 -8.134 -12.021 10.668 1.00 0.00 C ATOM 1064 O TYR A 70 -7.509 -12.830 11.353 1.00 0.00 O ATOM 1065 CB TYR A 70 -7.277 -9.790 9.930 1.00 0.00 C ATOM 1066 CG TYR A 70 -6.770 -9.595 11.341 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -5.412 -9.662 11.627 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -7.648 -9.345 12.388 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -4.944 -9.486 12.915 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -7.189 -9.166 13.679 1.00 0.00 C ATOM 1071 CZ TYR A 70 -5.836 -9.237 13.937 1.00 0.00 C ATOM 1072 OH TYR A 70 -5.375 -9.061 15.222 1.00 0.00 O ATOM 0 H TYR A 70 -8.479 -10.470 7.891 1.00 0.00 H new ATOM 0 HA TYR A 70 -6.467 -11.699 9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.584 -9.316 9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.234 -9.280 9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.710 -9.855 10.829 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.708 -9.290 12.189 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.885 -9.543 13.120 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.886 -8.972 14.481 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.132 -8.894 15.821 1.00 0.00 H new ATOM 1082 N GLU A 71 -9.423 -11.756 10.856 1.00 0.00 N ATOM 1083 CA GLU A 71 -10.193 -12.417 11.903 1.00 0.00 C ATOM 1084 C GLU A 71 -10.187 -13.930 11.710 1.00 0.00 C ATOM 1085 O GLU A 71 -10.358 -14.691 12.663 1.00 0.00 O ATOM 1086 CB GLU A 71 -11.633 -11.898 11.913 1.00 0.00 C ATOM 1087 CG GLU A 71 -11.773 -10.502 12.495 1.00 0.00 C ATOM 1088 CD GLU A 71 -11.958 -10.514 14.000 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -12.889 -11.195 14.479 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -11.172 -9.841 14.699 1.00 0.00 O ATOM 0 H GLU A 71 -9.955 -11.089 10.298 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.726 -12.189 12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.017 -11.897 10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.254 -12.586 12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.887 -9.918 12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.624 -10.003 12.032 1.00 0.00 H new ATOM 1097 N LYS A 72 -9.990 -14.361 10.469 1.00 0.00 N ATOM 1098 CA LYS A 72 -9.961 -15.783 10.148 1.00 0.00 C ATOM 1099 C LYS A 72 -8.635 -16.409 10.569 1.00 0.00 C ATOM 1100 O LYS A 72 -8.609 -17.472 11.190 1.00 0.00 O ATOM 1101 CB LYS A 72 -10.182 -15.993 8.648 1.00 0.00 C ATOM 1102 CG LYS A 72 -11.645 -16.134 8.263 1.00 0.00 C ATOM 1103 CD LYS A 72 -12.107 -17.579 8.348 1.00 0.00 C ATOM 1104 CE LYS A 72 -13.623 -17.675 8.426 1.00 0.00 C ATOM 1105 NZ LYS A 72 -14.250 -17.659 7.075 1.00 0.00 N ATOM 0 H LYS A 72 -9.848 -13.745 9.668 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.765 -16.271 10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.751 -15.152 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.644 -16.886 8.331 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.256 -15.516 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -11.793 -15.763 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.751 -18.128 7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.666 -18.052 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.903 -18.592 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.010 -16.844 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.283 -17.726 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.004 -16.773 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.901 -18.467 6.521 1.00 0.00 H new ATOM 1119 N ASP A 73 -7.537 -15.743 10.229 1.00 0.00 N ATOM 1120 CA ASP A 73 -6.208 -16.232 10.575 1.00 0.00 C ATOM 1121 C ASP A 73 -5.925 -16.035 12.061 1.00 0.00 C ATOM 1122 O ASP A 73 -5.182 -16.805 12.670 1.00 0.00 O ATOM 1123 CB ASP A 73 -5.144 -15.516 9.742 1.00 0.00 C ATOM 1124 CG ASP A 73 -4.857 -16.227 8.434 1.00 0.00 C ATOM 1125 OD1 ASP A 73 -4.467 -17.412 8.477 1.00 0.00 O ATOM 1126 OD2 ASP A 73 -5.022 -15.598 7.367 1.00 0.00 O ATOM 0 H ASP A 73 -7.541 -14.863 9.714 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.173 -17.299 10.355 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.474 -14.498 9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.223 -15.441 10.321 1.00 0.00 H new ATOM 1131 N VAL A 74 -6.523 -14.998 12.639 1.00 0.00 N ATOM 1132 CA VAL A 74 -6.336 -14.699 14.054 1.00 0.00 C ATOM 1133 C VAL A 74 -6.918 -15.802 14.930 1.00 0.00 C ATOM 1134 O VAL A 74 -6.302 -16.221 15.910 1.00 0.00 O ATOM 1135 CB VAL A 74 -6.988 -13.357 14.435 1.00 0.00 C ATOM 1136 CG1 VAL A 74 -7.165 -13.259 15.943 1.00 0.00 C ATOM 1137 CG2 VAL A 74 -6.160 -12.194 13.910 1.00 0.00 C ATOM 0 H VAL A 74 -7.141 -14.351 12.149 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.261 -14.633 14.224 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.974 -13.308 13.973 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.627 -12.304 16.194 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.803 -14.073 16.288 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.192 -13.330 16.429 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.636 -11.254 14.189 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.160 -12.236 14.341 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.091 -12.258 12.824 1.00 0.00 H new ATOM 1147 N ALA A 75 -8.109 -16.270 14.570 1.00 0.00 N ATOM 1148 CA ALA A 75 -8.774 -17.327 15.322 1.00 0.00 C ATOM 1149 C ALA A 75 -8.058 -18.661 15.145 1.00 0.00 C ATOM 1150 O ALA A 75 -7.835 -19.390 16.112 1.00 0.00 O ATOM 1151 CB ALA A 75 -10.229 -17.445 14.892 1.00 0.00 C ATOM 0 H ALA A 75 -8.633 -15.934 13.762 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.739 -17.064 16.379 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.714 -18.238 15.462 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.741 -16.501 15.077 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.276 -17.681 13.829 1.00 0.00 H new ATOM 1157 N ASP A 76 -7.700 -18.975 13.905 1.00 0.00 N ATOM 1158 CA ASP A 76 -7.008 -20.222 13.601 1.00 0.00 C ATOM 1159 C ASP A 76 -5.642 -20.264 14.279 1.00 0.00 C ATOM 1160 O ASP A 76 -5.155 -21.333 14.651 1.00 0.00 O ATOM 1161 CB ASP A 76 -6.846 -20.385 12.089 1.00 0.00 C ATOM 1162 CG ASP A 76 -6.360 -21.768 11.705 1.00 0.00 C ATOM 1163 OD1 ASP A 76 -7.162 -22.722 11.783 1.00 0.00 O ATOM 1164 OD2 ASP A 76 -5.176 -21.898 11.326 1.00 0.00 O ATOM 0 H ASP A 76 -7.878 -18.383 13.094 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.610 -21.046 13.985 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.801 -20.190 11.601 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.141 -19.640 11.720 1.00 0.00 H new ATOM 1169 N TYR A 77 -5.028 -19.097 14.436 1.00 0.00 N ATOM 1170 CA TYR A 77 -3.717 -19.001 15.066 1.00 0.00 C ATOM 1171 C TYR A 77 -3.816 -19.241 16.569 1.00 0.00 C ATOM 1172 O TYR A 77 -3.229 -20.184 17.100 1.00 0.00 O ATOM 1173 CB TYR A 77 -3.098 -17.629 14.797 1.00 0.00 C ATOM 1174 CG TYR A 77 -1.810 -17.387 15.551 1.00 0.00 C ATOM 1175 CD1 TYR A 77 -1.825 -17.012 16.889 1.00 0.00 C ATOM 1176 CD2 TYR A 77 -0.578 -17.533 14.926 1.00 0.00 C ATOM 1177 CE1 TYR A 77 -0.651 -16.790 17.582 1.00 0.00 C ATOM 1178 CE2 TYR A 77 0.602 -17.314 15.612 1.00 0.00 C ATOM 1179 CZ TYR A 77 0.559 -16.942 16.940 1.00 0.00 C ATOM 1180 OH TYR A 77 1.731 -16.722 17.627 1.00 0.00 O ATOM 0 H TYR A 77 -5.418 -18.204 14.135 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.078 -19.771 14.635 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.908 -17.529 13.728 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.818 -16.856 15.067 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.771 -16.892 17.396 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.541 -17.823 13.886 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.681 -16.499 18.622 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.552 -17.433 15.112 1.00 0.00 H new ATOM 0 HH TYR A 77 2.493 -16.873 17.030 1.00 0.00 H new ATOM 1190 N LYS A 78 -4.563 -18.379 17.251 1.00 0.00 N ATOM 1191 CA LYS A 78 -4.743 -18.496 18.693 1.00 0.00 C ATOM 1192 C LYS A 78 -5.217 -19.895 19.071 1.00 0.00 C ATOM 1193 O LYS A 78 -4.712 -20.497 20.019 1.00 0.00 O ATOM 1194 CB LYS A 78 -5.749 -17.454 19.188 1.00 0.00 C ATOM 1195 CG LYS A 78 -5.588 -17.104 20.658 1.00 0.00 C ATOM 1196 CD LYS A 78 -6.864 -16.510 21.232 1.00 0.00 C ATOM 1197 CE LYS A 78 -6.846 -16.516 22.753 1.00 0.00 C ATOM 1198 NZ LYS A 78 -8.023 -15.806 23.324 1.00 0.00 N ATOM 0 H LYS A 78 -5.054 -17.591 16.828 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.779 -18.317 19.170 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.642 -16.547 18.593 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.759 -17.828 19.021 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.318 -17.999 21.219 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.769 -16.394 20.777 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.985 -15.488 20.872 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.724 -17.077 20.875 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.833 -17.545 23.112 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.930 -16.044 23.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.974 -15.832 24.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.022 -14.817 23.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.897 -16.272 23.007 1.00 0.00 H new ATOM 1212 N SER A 79 -6.189 -20.408 18.324 1.00 0.00 N ATOM 1213 CA SER A 79 -6.733 -21.736 18.582 1.00 0.00 C ATOM 1214 C SER A 79 -6.205 -22.746 17.567 1.00 0.00 C ATOM 1215 O SER A 79 -6.747 -22.883 16.471 1.00 0.00 O ATOM 1216 CB SER A 79 -8.262 -21.702 18.537 1.00 0.00 C ATOM 1217 OG SER A 79 -8.785 -20.911 19.590 1.00 0.00 O ATOM 0 H SER A 79 -6.616 -19.924 17.535 1.00 0.00 H new ATOM 0 HA SER A 79 -6.413 -22.046 19.577 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.592 -21.302 17.578 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.654 -22.716 18.611 1.00 0.00 H new ATOM 0 HG SER A 79 -9.764 -20.904 19.539 1.00 0.00 H new ATOM 1223 N LYS A 80 -5.143 -23.451 17.942 1.00 0.00 N ATOM 1224 CA LYS A 80 -4.541 -24.450 17.067 1.00 0.00 C ATOM 1225 C LYS A 80 -5.546 -25.543 16.716 1.00 0.00 C ATOM 1226 O LYS A 80 -5.901 -26.367 17.557 1.00 0.00 O ATOM 1227 CB LYS A 80 -3.312 -25.070 17.737 1.00 0.00 C ATOM 1228 CG LYS A 80 -2.026 -24.306 17.472 1.00 0.00 C ATOM 1229 CD LYS A 80 -2.069 -22.913 18.077 1.00 0.00 C ATOM 1230 CE LYS A 80 -0.736 -22.197 17.923 1.00 0.00 C ATOM 1231 NZ LYS A 80 0.344 -22.864 18.701 1.00 0.00 N ATOM 0 H LYS A 80 -4.682 -23.349 18.846 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.235 -23.953 16.147 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.481 -25.119 18.813 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.195 -26.095 17.386 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.182 -24.858 17.887 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.861 -24.232 16.397 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.854 -22.330 17.595 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.326 -22.982 19.134 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.459 -22.167 16.869 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.838 -21.164 18.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.160 -22.224 18.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.007 -23.099 19.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.635 -23.736 18.214 1.00 0.00 H new ATOM 1245 N GLY A 81 -5.999 -25.543 15.466 1.00 0.00 N ATOM 1246 CA GLY A 81 -6.958 -26.540 15.025 1.00 0.00 C ATOM 1247 C GLY A 81 -7.778 -26.071 13.839 1.00 0.00 C ATOM 1248 O GLY A 81 -8.979 -25.833 13.962 1.00 0.00 O ATOM 0 H GLY A 81 -5.720 -24.871 14.751 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.429 -27.455 14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.626 -26.787 15.850 1.00 0.00 H new TER 1252 GLY A 81