USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 607 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 74 CYS SG : rot 161:sc= 0.771 USER MOD Set 1.2: A 77 CYS SG : rot -44:sc= -0.175 USER MOD Set 1.3: A 90 HIS : no HE2:sc= -0.0129 K(o=-0.15,f=-0.97) USER MOD Set 1.4: A 95 HIS : no HE2:sc= -0.734 X(o=-0.15,f=-0.62) USER MOD Set 2.1: A 73 SER OG : rot 27:sc= 1.11 USER MOD Set 2.2: A 80 LYS NZ :NH3+ -127:sc= 1.23 (180deg=-0.023) USER MOD Set 3.1: A 44 CYS SG : rot -127:sc= -2.31! USER MOD Set 3.2: A 47 CYS SG : rot 88:sc= -0.175! USER MOD Set 3.3: A 60 HIS : no HD1:sc= -0.022 K(o=-3.4,f=-3.9) USER MOD Set 3.4: A 64 HIS : no HD1:sc= -0.851 K(o=-3.4,f=-4.1) USER MOD Set 4.1: A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 43 GLN : amide:sc= -1.44! X(o=-1.4!,f=-1.8) USER MOD Set 5.1: A 16 CYS SG : rot -169:sc= 0.304 USER MOD Set 5.2: A 19 CYS SG : rot 53:sc= 0.35 USER MOD Set 5.3: A 32 HIS : no HE2:sc= 0.124 X(o=0.4,f=0.094) USER MOD Set 5.4: A 36 HIS : no HD1:sc= -0.38 X(o=0.4,f=0.21) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 28 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.4!) USER MOD Single : A 37 THR OG1 : rot 170:sc= -0.215 USER MOD Single : A 40 LYS NZ :NH3+ 139:sc= -0.872 (180deg=-2.92!) USER MOD Single : A 50 THR OG1 : rot 152:sc= 0.621 USER MOD Single : A 51 CYS SG : rot 97:sc= -1.91! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -90:sc= 0.476 USER MOD Single : A 58 ASN : amide:sc=-0.00968 X(o=-0.0097,f=0) USER MOD Single : A 61 MET CE :methyl 135:sc= -0.663 (180deg=-2.1!) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc= 0.083 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -23:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.374 -12.311 15.628 1.00 0.00 N ATOM 37 CA ARG A 12 13.419 -12.154 14.510 1.00 0.00 C ATOM 38 C ARG A 12 13.158 -10.651 14.274 1.00 0.00 C ATOM 39 O ARG A 12 12.045 -10.146 14.460 1.00 0.00 O ATOM 40 CB ARG A 12 12.105 -12.944 14.808 1.00 0.00 C ATOM 41 CG ARG A 12 12.305 -14.474 14.943 1.00 0.00 C ATOM 42 CD ARG A 12 11.014 -15.233 15.315 1.00 0.00 C ATOM 43 NE ARG A 12 11.239 -16.693 15.416 1.00 0.00 N ATOM 44 CZ ARG A 12 10.358 -17.586 15.898 1.00 0.00 C ATOM 45 NH1 ARG A 12 9.174 -17.201 16.361 1.00 0.00 N ATOM 46 NH2 ARG A 12 10.678 -18.873 15.918 1.00 0.00 N ATOM 0 HA ARG A 12 13.839 -12.571 13.595 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.666 -12.563 15.730 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.388 -12.751 14.010 1.00 0.00 H new ATOM 0 HG2 ARG A 12 12.689 -14.867 14.002 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.063 -14.668 15.702 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.634 -14.858 16.265 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.248 -15.035 14.565 1.00 0.00 H new ATOM 0 HE ARG A 12 12.138 -17.051 15.093 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.921 -16.213 16.355 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.518 -17.893 16.723 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.587 -19.178 15.569 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.015 -19.558 16.282 1.00 0.00 H new ATOM 60 N ASP A 13 14.234 -9.951 13.894 1.00 0.00 N ATOM 61 CA ASP A 13 14.241 -8.517 13.620 1.00 0.00 C ATOM 62 C ASP A 13 15.290 -8.254 12.534 1.00 0.00 C ATOM 63 O ASP A 13 16.497 -8.186 12.780 1.00 0.00 O ATOM 64 CB ASP A 13 14.480 -7.666 14.905 1.00 0.00 C ATOM 65 CG ASP A 13 15.707 -8.084 15.737 1.00 0.00 C ATOM 66 OD1 ASP A 13 15.598 -9.041 16.539 1.00 0.00 O ATOM 67 OD2 ASP A 13 16.781 -7.458 15.610 1.00 0.00 O ATOM 0 H ASP A 13 15.149 -10.384 13.766 1.00 0.00 H new ATOM 0 HA ASP A 13 13.260 -8.205 13.263 1.00 0.00 H new ATOM 0 HB2 ASP A 13 14.593 -6.621 14.616 1.00 0.00 H new ATOM 0 HB3 ASP A 13 13.593 -7.728 15.535 1.00 0.00 H new ATOM 72 N TYR A 14 14.791 -8.207 11.307 1.00 0.00 N ATOM 73 CA TYR A 14 15.579 -8.012 10.095 1.00 0.00 C ATOM 74 C TYR A 14 15.576 -6.525 9.785 1.00 0.00 C ATOM 75 O TYR A 14 14.576 -5.974 9.305 1.00 0.00 O ATOM 76 CB TYR A 14 15.001 -8.872 8.936 1.00 0.00 C ATOM 77 CG TYR A 14 15.181 -10.386 9.177 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.513 -11.037 10.219 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.057 -11.146 8.401 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.703 -12.381 10.466 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.255 -12.490 8.651 1.00 0.00 C ATOM 82 CZ TYR A 14 15.579 -13.103 9.685 1.00 0.00 C ATOM 83 OH TYR A 14 15.783 -14.442 9.942 1.00 0.00 O ATOM 0 H TYR A 14 13.793 -8.307 11.120 1.00 0.00 H new ATOM 0 HA TYR A 14 16.609 -8.341 10.229 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.941 -8.650 8.817 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.491 -8.595 8.003 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.834 -10.476 10.844 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.591 -10.674 7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.167 -12.866 11.269 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.938 -13.060 8.038 1.00 0.00 H new ATOM 0 HH TYR A 14 16.429 -14.804 9.300 1.00 0.00 H new ATOM 93 N ILE A 15 16.695 -5.872 10.110 1.00 0.00 N ATOM 94 CA ILE A 15 16.776 -4.420 10.156 1.00 0.00 C ATOM 95 C ILE A 15 17.470 -3.903 8.890 1.00 0.00 C ATOM 96 O ILE A 15 18.690 -4.062 8.726 1.00 0.00 O ATOM 97 CB ILE A 15 17.546 -3.914 11.440 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.981 -4.575 12.739 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.508 -2.363 11.542 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.535 -4.263 13.014 1.00 0.00 C ATOM 0 H ILE A 15 17.569 -6.341 10.348 1.00 0.00 H new ATOM 0 HA ILE A 15 15.760 -4.029 10.207 1.00 0.00 H new ATOM 0 HB ILE A 15 18.588 -4.218 11.340 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.099 -5.656 12.664 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.579 -4.247 13.589 1.00 0.00 H new ATOM 0 HG21 ILE A 15 18.046 -2.044 12.435 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.979 -1.929 10.660 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.473 -2.028 11.603 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.224 -4.761 13.933 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.410 -3.186 13.124 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.922 -4.616 12.185 1.00 0.00 H new ATOM 112 N CYS A 16 16.664 -3.345 7.982 1.00 0.00 N ATOM 113 CA CYS A 16 17.131 -2.439 6.934 1.00 0.00 C ATOM 114 C CYS A 16 17.775 -1.234 7.612 1.00 0.00 C ATOM 115 O CYS A 16 17.034 -0.392 8.095 1.00 0.00 O ATOM 116 CB CYS A 16 15.951 -1.951 6.061 1.00 0.00 C ATOM 117 SG CYS A 16 16.428 -1.277 4.454 1.00 0.00 S ATOM 0 H CYS A 16 15.658 -3.513 7.956 1.00 0.00 H new ATOM 0 HA CYS A 16 17.841 -2.961 6.292 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.266 -2.784 5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.401 -1.187 6.611 1.00 0.00 H new ATOM 0 HG CYS A 16 15.404 -0.691 3.908 1.00 0.00 H new ATOM 122 N GLU A 17 19.105 -1.330 7.796 1.00 0.00 N ATOM 123 CA GLU A 17 20.074 -0.263 8.168 1.00 0.00 C ATOM 124 C GLU A 17 19.516 0.855 9.088 1.00 0.00 C ATOM 125 O GLU A 17 19.963 1.019 10.227 1.00 0.00 O ATOM 126 CB GLU A 17 20.673 0.325 6.857 1.00 0.00 C ATOM 127 CG GLU A 17 21.674 1.480 7.033 1.00 0.00 C ATOM 128 CD GLU A 17 22.181 2.047 5.698 1.00 0.00 C ATOM 129 OE1 GLU A 17 21.339 2.391 4.838 1.00 0.00 O ATOM 130 OE2 GLU A 17 23.407 2.169 5.506 1.00 0.00 O ATOM 0 H GLU A 17 19.576 -2.227 7.681 1.00 0.00 H new ATOM 0 HA GLU A 17 20.843 -0.732 8.782 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.169 -0.480 6.314 1.00 0.00 H new ATOM 0 HB3 GLU A 17 19.852 0.674 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.201 2.279 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.524 1.130 7.619 1.00 0.00 H new ATOM 137 N TYR A 18 18.516 1.585 8.580 1.00 0.00 N ATOM 138 CA TYR A 18 17.920 2.751 9.270 1.00 0.00 C ATOM 139 C TYR A 18 16.390 2.684 9.195 1.00 0.00 C ATOM 140 O TYR A 18 15.685 2.929 10.172 1.00 0.00 O ATOM 141 CB TYR A 18 18.422 4.080 8.661 1.00 0.00 C ATOM 142 CG TYR A 18 18.256 5.266 9.616 1.00 0.00 C ATOM 143 CD1 TYR A 18 18.550 5.117 10.977 1.00 0.00 C ATOM 144 CD2 TYR A 18 17.801 6.507 9.191 1.00 0.00 C ATOM 145 CE1 TYR A 18 18.397 6.150 11.862 1.00 0.00 C ATOM 146 CE2 TYR A 18 17.648 7.556 10.077 1.00 0.00 C ATOM 147 CZ TYR A 18 17.947 7.375 11.413 1.00 0.00 C ATOM 148 OH TYR A 18 17.796 8.422 12.297 1.00 0.00 O ATOM 0 H TYR A 18 18.090 1.388 7.674 1.00 0.00 H new ATOM 0 HA TYR A 18 18.231 2.718 10.314 1.00 0.00 H new ATOM 0 HB2 TYR A 18 19.474 3.978 8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 18 17.877 4.282 7.739 1.00 0.00 H new ATOM 0 HD1 TYR A 18 18.906 4.163 11.337 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.562 6.655 8.148 1.00 0.00 H new ATOM 0 HE1 TYR A 18 18.627 6.007 12.907 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.296 8.515 9.726 1.00 0.00 H new ATOM 0 HH TYR A 18 17.472 9.212 11.816 1.00 0.00 H new ATOM 158 N CYS A 19 15.906 2.305 8.007 1.00 0.00 N ATOM 159 CA CYS A 19 14.472 2.360 7.645 1.00 0.00 C ATOM 160 C CYS A 19 13.775 0.995 7.818 1.00 0.00 C ATOM 161 O CYS A 19 12.877 0.636 7.043 1.00 0.00 O ATOM 162 CB CYS A 19 14.315 2.935 6.213 1.00 0.00 C ATOM 163 SG CYS A 19 15.597 2.413 5.044 1.00 0.00 S ATOM 0 H CYS A 19 16.498 1.947 7.258 1.00 0.00 H new ATOM 0 HA CYS A 19 13.965 3.033 8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.342 2.638 5.821 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.316 4.023 6.271 1.00 0.00 H new ATOM 0 HG CYS A 19 15.676 1.115 5.038 1.00 0.00 H new ATOM 168 N ALA A 20 14.203 0.226 8.841 1.00 0.00 N ATOM 169 CA ALA A 20 13.392 -0.858 9.416 1.00 0.00 C ATOM 170 C ALA A 20 13.351 -0.766 10.937 1.00 0.00 C ATOM 171 O ALA A 20 14.401 -0.779 11.589 1.00 0.00 O ATOM 172 CB ALA A 20 13.906 -2.226 9.008 1.00 0.00 C ATOM 0 H ALA A 20 15.114 0.341 9.286 1.00 0.00 H new ATOM 0 HA ALA A 20 12.383 -0.736 9.021 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.279 -2.998 9.454 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.876 -2.317 7.922 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.932 -2.347 9.354 1.00 0.00 H new ATOM 178 N ARG A 21 12.128 -0.670 11.485 1.00 0.00 N ATOM 179 CA ARG A 21 11.907 -0.813 12.929 1.00 0.00 C ATOM 180 C ARG A 21 12.161 -2.289 13.325 1.00 0.00 C ATOM 181 O ARG A 21 12.953 -2.540 14.233 1.00 0.00 O ATOM 182 CB ARG A 21 10.497 -0.290 13.365 1.00 0.00 C ATOM 183 CG ARG A 21 9.273 -1.010 12.762 1.00 0.00 C ATOM 184 CD ARG A 21 7.937 -0.441 13.279 1.00 0.00 C ATOM 185 NE ARG A 21 6.775 -1.189 12.768 1.00 0.00 N ATOM 186 CZ ARG A 21 5.494 -0.966 13.109 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.172 -0.023 13.984 1.00 0.00 N ATOM 188 NH2 ARG A 21 4.542 -1.708 12.573 1.00 0.00 N ATOM 0 H ARG A 21 11.279 -0.494 10.948 1.00 0.00 H new ATOM 0 HA ARG A 21 12.613 -0.184 13.471 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.430 -0.357 14.451 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.431 0.767 13.106 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.304 -0.924 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.327 -2.072 13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.932 -0.466 14.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.852 0.605 12.984 1.00 0.00 H new ATOM 0 HE ARG A 21 6.958 -1.938 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.902 0.548 14.411 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.194 0.132 14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.782 -2.442 11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.567 -1.547 12.825 1.00 0.00 H new ATOM 202 N ALA A 22 11.492 -3.253 12.633 1.00 0.00 N ATOM 203 CA ALA A 22 11.864 -4.683 12.642 1.00 0.00 C ATOM 204 C ALA A 22 10.981 -5.458 11.654 1.00 0.00 C ATOM 205 O ALA A 22 9.751 -5.383 11.744 1.00 0.00 O ATOM 206 CB ALA A 22 11.704 -5.292 14.046 1.00 0.00 C ATOM 0 H ALA A 22 10.677 -3.051 12.053 1.00 0.00 H new ATOM 0 HA ALA A 22 12.911 -4.758 12.347 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.985 -6.345 14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.347 -4.762 14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.666 -5.202 14.366 1.00 0.00 H new ATOM 212 N PHE A 23 11.600 -6.199 10.718 1.00 0.00 N ATOM 213 CA PHE A 23 10.882 -7.130 9.837 1.00 0.00 C ATOM 214 C PHE A 23 10.979 -8.537 10.425 1.00 0.00 C ATOM 215 O PHE A 23 11.978 -8.885 11.054 1.00 0.00 O ATOM 216 CB PHE A 23 11.451 -7.118 8.399 1.00 0.00 C ATOM 217 CG PHE A 23 11.148 -5.846 7.618 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.895 -5.648 7.049 1.00 0.00 C ATOM 219 CD2 PHE A 23 12.115 -4.862 7.426 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.620 -4.515 6.311 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.836 -3.731 6.688 1.00 0.00 C ATOM 222 CZ PHE A 23 10.589 -3.557 6.134 1.00 0.00 C ATOM 0 H PHE A 23 12.606 -6.168 10.553 1.00 0.00 H new ATOM 0 HA PHE A 23 9.841 -6.814 9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.532 -7.253 8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 23 11.047 -7.971 7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 23 9.125 -6.393 7.187 1.00 0.00 H new ATOM 0 HD2 PHE A 23 13.096 -4.986 7.861 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.642 -4.381 5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.599 -2.980 6.545 1.00 0.00 H new ATOM 0 HZ PHE A 23 10.372 -2.668 5.560 1.00 0.00 H new ATOM 232 N LYS A 24 9.927 -9.334 10.234 1.00 0.00 N ATOM 233 CA LYS A 24 9.896 -10.732 10.673 1.00 0.00 C ATOM 234 C LYS A 24 10.903 -11.589 9.876 1.00 0.00 C ATOM 235 O LYS A 24 11.477 -12.541 10.421 1.00 0.00 O ATOM 236 CB LYS A 24 8.449 -11.278 10.550 1.00 0.00 C ATOM 237 CG LYS A 24 8.271 -12.757 10.955 1.00 0.00 C ATOM 238 CD LYS A 24 6.792 -13.209 10.965 1.00 0.00 C ATOM 239 CE LYS A 24 5.953 -12.473 12.019 1.00 0.00 C ATOM 240 NZ LYS A 24 4.573 -13.008 12.109 1.00 0.00 N ATOM 0 H LYS A 24 9.071 -9.029 9.770 1.00 0.00 H new ATOM 0 HA LYS A 24 10.199 -10.787 11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.793 -10.666 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.118 -11.157 9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.833 -13.387 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.698 -12.910 11.946 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.358 -13.040 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.746 -14.281 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.438 -12.558 12.991 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.914 -11.412 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.043 -12.482 12.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.100 -12.904 11.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.607 -14.014 12.369 1.00 0.00 H new ATOM 254 N SER A 25 11.170 -11.205 8.605 1.00 0.00 N ATOM 255 CA SER A 25 12.002 -12.022 7.702 1.00 0.00 C ATOM 256 C SER A 25 12.509 -11.183 6.492 1.00 0.00 C ATOM 257 O SER A 25 11.939 -10.135 6.159 1.00 0.00 O ATOM 258 CB SER A 25 11.210 -13.281 7.263 1.00 0.00 C ATOM 259 OG SER A 25 12.056 -14.274 6.716 1.00 0.00 O ATOM 0 H SER A 25 10.823 -10.341 8.188 1.00 0.00 H new ATOM 0 HA SER A 25 12.893 -12.356 8.234 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.676 -13.691 8.120 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.459 -12.998 6.526 1.00 0.00 H new ATOM 0 HG SER A 25 11.520 -15.051 6.453 1.00 0.00 H new ATOM 265 N SER A 26 13.610 -11.666 5.875 1.00 0.00 N ATOM 266 CA SER A 26 14.383 -10.923 4.839 1.00 0.00 C ATOM 267 C SER A 26 13.604 -10.655 3.516 1.00 0.00 C ATOM 268 O SER A 26 13.875 -9.656 2.845 1.00 0.00 O ATOM 269 CB SER A 26 15.714 -11.648 4.542 1.00 0.00 C ATOM 270 OG SER A 26 15.497 -12.937 4.004 1.00 0.00 O ATOM 0 H SER A 26 13.995 -12.588 6.079 1.00 0.00 H new ATOM 0 HA SER A 26 14.576 -9.939 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.303 -11.056 3.842 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.297 -11.730 5.459 1.00 0.00 H new ATOM 0 HG SER A 26 16.360 -13.367 3.826 1.00 0.00 H new ATOM 276 N HIS A 27 12.673 -11.555 3.125 1.00 0.00 N ATOM 277 CA HIS A 27 11.832 -11.366 1.901 1.00 0.00 C ATOM 278 C HIS A 27 10.742 -10.300 2.137 1.00 0.00 C ATOM 279 O HIS A 27 10.402 -9.543 1.220 1.00 0.00 O ATOM 280 CB HIS A 27 11.205 -12.690 1.406 1.00 0.00 C ATOM 281 CG HIS A 27 12.210 -13.665 0.861 1.00 0.00 C ATOM 282 ND1 HIS A 27 12.502 -14.865 1.458 1.00 0.00 N ATOM 283 CD2 HIS A 27 12.979 -13.605 -0.249 1.00 0.00 C ATOM 284 CE1 HIS A 27 13.406 -15.502 0.748 1.00 0.00 C ATOM 285 NE2 HIS A 27 13.712 -14.761 -0.298 1.00 0.00 N ATOM 0 H HIS A 27 12.479 -12.419 3.631 1.00 0.00 H new ATOM 0 HA HIS A 27 12.498 -11.013 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.667 -13.158 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.471 -12.467 0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 27 13.010 -12.796 -0.964 1.00 0.00 H new ATOM 0 HE1 HIS A 27 13.827 -16.469 0.982 1.00 0.00 H new ATOM 0 HE2 HIS A 27 14.384 -15.008 -1.024 1.00 0.00 H new ATOM 294 N ASN A 28 10.190 -10.277 3.366 1.00 0.00 N ATOM 295 CA ASN A 28 9.219 -9.243 3.822 1.00 0.00 C ATOM 296 C ASN A 28 9.864 -7.843 3.715 1.00 0.00 C ATOM 297 O ASN A 28 9.284 -6.879 3.209 1.00 0.00 O ATOM 298 CB ASN A 28 8.834 -9.520 5.297 1.00 0.00 C ATOM 299 CG ASN A 28 7.585 -8.762 5.765 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.662 -7.658 6.293 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.416 -9.358 5.564 1.00 0.00 N ATOM 0 H ASN A 28 10.401 -10.975 4.079 1.00 0.00 H new ATOM 0 HA ASN A 28 8.328 -9.279 3.196 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.667 -10.590 5.424 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.673 -9.250 5.938 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.553 -8.897 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.381 -10.277 5.122 1.00 0.00 H new ATOM 308 N LEU A 29 11.080 -7.794 4.249 1.00 0.00 N ATOM 309 CA LEU A 29 12.028 -6.680 4.122 1.00 0.00 C ATOM 310 C LEU A 29 12.331 -6.333 2.654 1.00 0.00 C ATOM 311 O LEU A 29 12.354 -5.157 2.314 1.00 0.00 O ATOM 312 CB LEU A 29 13.306 -7.053 4.952 1.00 0.00 C ATOM 313 CG LEU A 29 14.707 -6.551 4.466 1.00 0.00 C ATOM 314 CD1 LEU A 29 14.829 -5.015 4.561 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.835 -7.261 5.250 1.00 0.00 C ATOM 0 H LEU A 29 11.453 -8.561 4.808 1.00 0.00 H new ATOM 0 HA LEU A 29 11.594 -5.765 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.158 -6.682 5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.351 -8.140 5.014 1.00 0.00 H new ATOM 0 HG LEU A 29 14.811 -6.809 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.815 -4.706 4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.064 -4.550 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.694 -4.703 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.803 -6.901 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.730 -7.046 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.768 -8.337 5.089 1.00 0.00 H new ATOM 327 N ALA A 30 12.544 -7.360 1.813 1.00 0.00 N ATOM 328 CA ALA A 30 12.854 -7.195 0.365 1.00 0.00 C ATOM 329 C ALA A 30 11.758 -6.410 -0.394 1.00 0.00 C ATOM 330 O ALA A 30 12.050 -5.722 -1.386 1.00 0.00 O ATOM 331 CB ALA A 30 13.091 -8.561 -0.307 1.00 0.00 C ATOM 0 H ALA A 30 12.508 -8.335 2.111 1.00 0.00 H new ATOM 0 HA ALA A 30 13.770 -6.607 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.315 -8.413 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.930 -9.063 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.196 -9.175 -0.209 1.00 0.00 H new ATOM 337 N VAL A 31 10.503 -6.522 0.092 1.00 0.00 N ATOM 338 CA VAL A 31 9.343 -5.790 -0.465 1.00 0.00 C ATOM 339 C VAL A 31 9.559 -4.261 -0.349 1.00 0.00 C ATOM 340 O VAL A 31 9.339 -3.515 -1.311 1.00 0.00 O ATOM 341 CB VAL A 31 8.001 -6.216 0.251 1.00 0.00 C ATOM 342 CG1 VAL A 31 6.763 -5.489 -0.344 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.825 -7.756 0.199 1.00 0.00 C ATOM 0 H VAL A 31 10.265 -7.122 0.882 1.00 0.00 H new ATOM 0 HA VAL A 31 9.257 -6.050 -1.520 1.00 0.00 H new ATOM 0 HB VAL A 31 8.074 -5.909 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.864 -5.814 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.882 -4.412 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.673 -5.731 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.896 -8.033 0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.792 -8.084 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.664 -8.235 0.704 1.00 0.00 H new ATOM 353 N HIS A 32 9.992 -3.819 0.845 1.00 0.00 N ATOM 354 CA HIS A 32 10.363 -2.411 1.119 1.00 0.00 C ATOM 355 C HIS A 32 11.717 -2.058 0.470 1.00 0.00 C ATOM 356 O HIS A 32 11.907 -0.956 -0.049 1.00 0.00 O ATOM 357 CB HIS A 32 10.381 -2.170 2.673 1.00 0.00 C ATOM 358 CG HIS A 32 11.343 -1.104 3.152 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.059 0.237 3.181 1.00 0.00 N ATOM 360 CD2 HIS A 32 12.632 -1.228 3.560 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.160 0.878 3.584 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.156 0.035 3.824 1.00 0.00 N ATOM 0 H HIS A 32 10.097 -4.430 1.655 1.00 0.00 H new ATOM 0 HA HIS A 32 9.620 -1.750 0.674 1.00 0.00 H new ATOM 0 HB2 HIS A 32 9.375 -1.899 2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 32 10.630 -3.109 3.167 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.167 0.668 2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.167 -2.160 3.664 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.230 1.949 3.700 1.00 0.00 H new ATOM 370 N ARG A 33 12.651 -3.015 0.535 1.00 0.00 N ATOM 371 CA ARG A 33 14.050 -2.851 0.106 1.00 0.00 C ATOM 372 C ARG A 33 14.172 -2.715 -1.430 1.00 0.00 C ATOM 373 O ARG A 33 15.250 -2.461 -1.932 1.00 0.00 O ATOM 374 CB ARG A 33 14.891 -4.051 0.629 1.00 0.00 C ATOM 375 CG ARG A 33 16.419 -3.837 0.631 1.00 0.00 C ATOM 376 CD ARG A 33 17.197 -5.115 0.976 1.00 0.00 C ATOM 377 NE ARG A 33 18.659 -4.894 0.934 1.00 0.00 N ATOM 378 CZ ARG A 33 19.580 -5.807 0.569 1.00 0.00 C ATOM 379 NH1 ARG A 33 19.223 -7.026 0.163 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.862 -5.485 0.612 1.00 0.00 N ATOM 0 H ARG A 33 12.452 -3.948 0.896 1.00 0.00 H new ATOM 0 HA ARG A 33 14.435 -1.925 0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.572 -4.281 1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.664 -4.925 0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.733 -3.479 -0.350 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.671 -3.058 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.909 -5.459 1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.928 -5.905 0.275 1.00 0.00 H new ATOM 0 HE ARG A 33 18.999 -3.971 1.205 1.00 0.00 H new ATOM 0 HH11 ARG A 33 18.236 -7.282 0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.937 -7.702 -0.109 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.144 -4.554 0.919 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.569 -6.168 0.338 1.00 0.00 H new ATOM 394 N MET A 34 13.027 -2.804 -2.139 1.00 0.00 N ATOM 395 CA MET A 34 12.885 -2.581 -3.616 1.00 0.00 C ATOM 396 C MET A 34 13.626 -1.306 -4.165 1.00 0.00 C ATOM 397 O MET A 34 13.853 -1.179 -5.378 1.00 0.00 O ATOM 398 CB MET A 34 11.374 -2.449 -3.920 1.00 0.00 C ATOM 399 CG MET A 34 10.706 -1.233 -3.243 1.00 0.00 C ATOM 400 SD MET A 34 8.914 -1.233 -3.374 1.00 0.00 S ATOM 401 CE MET A 34 8.521 0.338 -2.605 1.00 0.00 C ATOM 0 H MET A 34 12.139 -3.040 -1.696 1.00 0.00 H new ATOM 0 HA MET A 34 13.352 -3.430 -4.115 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.235 -2.374 -4.999 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.867 -3.358 -3.596 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.985 -1.215 -2.190 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.095 -0.319 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 34 7.441 0.485 -2.609 1.00 0.00 H new ATOM 0 HE2 MET A 34 8.884 0.341 -1.577 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.999 1.145 -3.161 1.00 0.00 H new ATOM 411 N ILE A 35 13.991 -0.402 -3.240 1.00 0.00 N ATOM 412 CA ILE A 35 14.747 0.813 -3.502 1.00 0.00 C ATOM 413 C ILE A 35 16.286 0.509 -3.458 1.00 0.00 C ATOM 414 O ILE A 35 16.993 0.743 -4.443 1.00 0.00 O ATOM 415 CB ILE A 35 14.301 1.971 -2.503 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.354 3.114 -2.409 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.923 1.434 -1.099 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.567 3.927 -3.683 1.00 0.00 C ATOM 0 H ILE A 35 13.753 -0.511 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 35 14.529 1.176 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 35 13.397 2.402 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.054 3.794 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.309 2.679 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.627 2.265 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.094 0.732 -1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.782 0.926 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 35 16.320 4.694 -3.503 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.904 3.268 -4.483 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.629 4.400 -3.974 1.00 0.00 H new ATOM 430 N HIS A 36 16.781 -0.037 -2.322 1.00 0.00 N ATOM 431 CA HIS A 36 18.251 -0.227 -2.055 1.00 0.00 C ATOM 432 C HIS A 36 18.732 -1.697 -2.219 1.00 0.00 C ATOM 433 O HIS A 36 19.890 -1.993 -1.916 1.00 0.00 O ATOM 434 CB HIS A 36 18.661 0.334 -0.635 1.00 0.00 C ATOM 435 CG HIS A 36 17.534 0.782 0.274 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.229 2.100 0.500 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.694 0.068 1.075 1.00 0.00 C ATOM 438 CE1 HIS A 36 16.250 2.152 1.407 1.00 0.00 C ATOM 439 NE2 HIS A 36 15.881 0.945 1.800 1.00 0.00 N ATOM 0 H HIS A 36 16.186 -0.361 -1.560 1.00 0.00 H new ATOM 0 HA HIS A 36 18.760 0.353 -2.824 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.230 -0.438 -0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.333 1.179 -0.785 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.661 -1.010 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 36 15.813 3.069 1.775 1.00 0.00 H new ATOM 0 HE2 HIS A 36 15.161 0.706 2.482 1.00 0.00 H new ATOM 447 N THR A 37 17.855 -2.592 -2.696 1.00 0.00 N ATOM 448 CA THR A 37 18.093 -4.060 -2.689 1.00 0.00 C ATOM 449 C THR A 37 19.312 -4.491 -3.531 1.00 0.00 C ATOM 450 O THR A 37 20.170 -5.247 -3.055 1.00 0.00 O ATOM 451 CB THR A 37 16.810 -4.843 -3.153 1.00 0.00 C ATOM 452 OG1 THR A 37 17.062 -6.252 -3.231 1.00 0.00 O ATOM 453 CG2 THR A 37 16.266 -4.329 -4.494 1.00 0.00 C ATOM 0 H THR A 37 16.957 -2.328 -3.100 1.00 0.00 H new ATOM 0 HA THR A 37 18.320 -4.317 -1.654 1.00 0.00 H new ATOM 0 HB THR A 37 16.047 -4.663 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.216 -6.729 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.381 -4.901 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.002 -3.276 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.028 -4.445 -5.264 1.00 0.00 H new ATOM 461 N GLY A 38 19.380 -4.008 -4.781 1.00 0.00 N ATOM 462 CA GLY A 38 20.345 -4.486 -5.767 1.00 0.00 C ATOM 463 C GLY A 38 19.868 -5.749 -6.501 1.00 0.00 C ATOM 464 O GLY A 38 20.222 -5.955 -7.668 1.00 0.00 O ATOM 0 H GLY A 38 18.764 -3.274 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.535 -3.698 -6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.292 -4.696 -5.270 1.00 0.00 H new ATOM 468 N GLU A 39 19.055 -6.596 -5.814 1.00 0.00 N ATOM 469 CA GLU A 39 18.483 -7.843 -6.381 1.00 0.00 C ATOM 470 C GLU A 39 17.408 -7.585 -7.454 1.00 0.00 C ATOM 471 O GLU A 39 17.082 -8.505 -8.213 1.00 0.00 O ATOM 472 CB GLU A 39 17.882 -8.715 -5.243 1.00 0.00 C ATOM 473 CG GLU A 39 18.911 -9.197 -4.200 1.00 0.00 C ATOM 474 CD GLU A 39 18.283 -10.008 -3.052 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.808 -11.147 -3.301 1.00 0.00 O ATOM 476 OE2 GLU A 39 18.253 -9.516 -1.904 1.00 0.00 O ATOM 0 H GLU A 39 18.778 -6.430 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 39 19.304 -8.367 -6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.107 -8.142 -4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.397 -9.585 -5.686 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.663 -9.809 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 39 19.428 -8.332 -3.784 1.00 0.00 H new ATOM 483 N LYS A 40 16.879 -6.339 -7.501 1.00 0.00 N ATOM 484 CA LYS A 40 15.787 -5.904 -8.410 1.00 0.00 C ATOM 485 C LYS A 40 14.610 -6.931 -8.474 1.00 0.00 C ATOM 486 O LYS A 40 14.561 -7.788 -9.366 1.00 0.00 O ATOM 487 CB LYS A 40 16.304 -5.485 -9.844 1.00 0.00 C ATOM 488 CG LYS A 40 17.092 -6.558 -10.632 1.00 0.00 C ATOM 489 CD LYS A 40 17.427 -6.181 -12.100 1.00 0.00 C ATOM 490 CE LYS A 40 16.208 -6.185 -13.055 1.00 0.00 C ATOM 491 NZ LYS A 40 15.294 -5.030 -12.848 1.00 0.00 N ATOM 0 H LYS A 40 17.207 -5.588 -6.893 1.00 0.00 H new ATOM 0 HA LYS A 40 15.378 -4.997 -7.965 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.444 -5.184 -10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.939 -4.606 -9.735 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.023 -6.764 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.515 -7.483 -10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 40 17.881 -5.190 -12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.173 -6.878 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.563 -6.178 -14.086 1.00 0.00 H new ATOM 0 HE3 LYS A 40 15.650 -7.111 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.978 -4.668 -13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.468 -5.336 -12.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.796 -4.278 -12.335 1.00 0.00 H new ATOM 505 N PRO A 41 13.660 -6.898 -7.479 1.00 0.00 N ATOM 506 CA PRO A 41 12.424 -7.697 -7.515 1.00 0.00 C ATOM 507 C PRO A 41 11.345 -6.984 -8.354 1.00 0.00 C ATOM 508 O PRO A 41 11.528 -5.834 -8.782 1.00 0.00 O ATOM 509 CB PRO A 41 12.018 -7.837 -6.008 1.00 0.00 C ATOM 510 CG PRO A 41 12.998 -6.981 -5.238 1.00 0.00 C ATOM 511 CD PRO A 41 13.689 -6.088 -6.249 1.00 0.00 C ATOM 0 HA PRO A 41 12.551 -8.672 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.994 -7.501 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.068 -8.877 -5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 41 12.482 -6.385 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.723 -7.602 -4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.164 -5.141 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 41 14.709 -5.849 -5.947 1.00 0.00 H new ATOM 519 N LEU A 42 10.221 -7.662 -8.577 1.00 0.00 N ATOM 520 CA LEU A 42 9.151 -7.188 -9.464 1.00 0.00 C ATOM 521 C LEU A 42 8.063 -6.526 -8.619 1.00 0.00 C ATOM 522 O LEU A 42 7.607 -7.118 -7.634 1.00 0.00 O ATOM 523 CB LEU A 42 8.547 -8.369 -10.262 1.00 0.00 C ATOM 524 CG LEU A 42 9.526 -9.202 -11.164 1.00 0.00 C ATOM 525 CD1 LEU A 42 10.343 -10.228 -10.345 1.00 0.00 C ATOM 526 CD2 LEU A 42 8.768 -9.890 -12.325 1.00 0.00 C ATOM 0 H LEU A 42 10.022 -8.564 -8.145 1.00 0.00 H new ATOM 0 HA LEU A 42 9.563 -6.468 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.078 -9.051 -9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.754 -7.976 -10.898 1.00 0.00 H new ATOM 0 HG LEU A 42 10.238 -8.499 -11.595 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.006 -10.780 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 42 10.936 -9.705 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.664 -10.923 -9.851 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.472 -10.459 -12.932 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.013 -10.563 -11.918 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.285 -9.133 -12.943 1.00 0.00 H new ATOM 538 N GLN A 43 7.624 -5.319 -9.010 1.00 0.00 N ATOM 539 CA GLN A 43 6.596 -4.570 -8.273 1.00 0.00 C ATOM 540 C GLN A 43 5.378 -4.300 -9.172 1.00 0.00 C ATOM 541 O GLN A 43 5.520 -4.024 -10.366 1.00 0.00 O ATOM 542 CB GLN A 43 7.149 -3.221 -7.739 1.00 0.00 C ATOM 543 CG GLN A 43 6.111 -2.390 -6.949 1.00 0.00 C ATOM 544 CD GLN A 43 6.555 -0.965 -6.655 1.00 0.00 C ATOM 545 OE1 GLN A 43 6.330 -0.054 -7.449 1.00 0.00 O ATOM 546 NE2 GLN A 43 7.160 -0.758 -5.509 1.00 0.00 N ATOM 0 H GLN A 43 7.970 -4.838 -9.841 1.00 0.00 H new ATOM 0 HA GLN A 43 6.294 -5.182 -7.423 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.007 -3.419 -7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.511 -2.629 -8.580 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.179 -2.360 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.897 -2.895 -6.007 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.330 -1.538 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.460 0.183 -5.253 1.00 0.00 H new ATOM 555 N CYS A 44 4.183 -4.395 -8.572 1.00 0.00 N ATOM 556 CA CYS A 44 2.930 -3.968 -9.191 1.00 0.00 C ATOM 557 C CYS A 44 2.957 -2.449 -9.412 1.00 0.00 C ATOM 558 O CYS A 44 2.890 -1.674 -8.452 1.00 0.00 O ATOM 559 CB CYS A 44 1.741 -4.360 -8.295 1.00 0.00 C ATOM 560 SG CYS A 44 0.195 -3.441 -8.612 1.00 0.00 S ATOM 0 H CYS A 44 4.063 -4.775 -7.633 1.00 0.00 H new ATOM 0 HA CYS A 44 2.815 -4.463 -10.155 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.545 -5.425 -8.423 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.027 -4.211 -7.254 1.00 0.00 H new ATOM 0 HG CYS A 44 -0.237 -2.923 -7.501 1.00 0.00 H new ATOM 565 N GLU A 45 3.074 -2.047 -10.689 1.00 0.00 N ATOM 566 CA GLU A 45 3.126 -0.630 -11.117 1.00 0.00 C ATOM 567 C GLU A 45 1.748 0.079 -11.007 1.00 0.00 C ATOM 568 O GLU A 45 1.613 1.241 -11.412 1.00 0.00 O ATOM 569 CB GLU A 45 3.661 -0.555 -12.578 1.00 0.00 C ATOM 570 CG GLU A 45 2.791 -1.301 -13.624 1.00 0.00 C ATOM 571 CD GLU A 45 3.272 -1.130 -15.079 1.00 0.00 C ATOM 572 OE1 GLU A 45 2.895 -0.128 -15.720 1.00 0.00 O ATOM 573 OE2 GLU A 45 4.016 -1.995 -15.592 1.00 0.00 O ATOM 0 H GLU A 45 3.136 -2.703 -11.467 1.00 0.00 H new ATOM 0 HA GLU A 45 3.801 -0.103 -10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.738 0.493 -12.869 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.670 -0.968 -12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.778 -2.363 -13.379 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.764 -0.944 -13.548 1.00 0.00 H new ATOM 580 N ILE A 46 0.736 -0.612 -10.430 1.00 0.00 N ATOM 581 CA ILE A 46 -0.652 -0.125 -10.366 1.00 0.00 C ATOM 582 C ILE A 46 -0.784 0.653 -9.059 1.00 0.00 C ATOM 583 O ILE A 46 -1.236 1.798 -9.036 1.00 0.00 O ATOM 584 CB ILE A 46 -1.719 -1.315 -10.435 1.00 0.00 C ATOM 585 CG1 ILE A 46 -1.792 -1.947 -11.876 1.00 0.00 C ATOM 586 CG2 ILE A 46 -3.115 -0.837 -9.958 1.00 0.00 C ATOM 587 CD1 ILE A 46 -0.510 -2.582 -12.401 1.00 0.00 C ATOM 0 H ILE A 46 0.866 -1.526 -9.996 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.864 0.508 -11.228 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.382 -2.098 -9.756 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.575 -2.705 -11.878 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.100 -1.170 -12.575 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.822 -1.665 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.047 -0.487 -8.928 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.458 -0.022 -10.596 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.685 -2.982 -13.400 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.278 -1.830 -12.444 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.205 -3.389 -11.735 1.00 0.00 H new ATOM 599 N CYS A 47 -0.368 -0.007 -7.972 1.00 0.00 N ATOM 600 CA CYS A 47 -0.202 0.608 -6.675 1.00 0.00 C ATOM 601 C CYS A 47 1.281 0.404 -6.353 1.00 0.00 C ATOM 602 O CYS A 47 2.144 0.979 -7.028 1.00 0.00 O ATOM 603 CB CYS A 47 -1.190 -0.035 -5.641 1.00 0.00 C ATOM 604 SG CYS A 47 -0.850 -1.792 -5.217 1.00 0.00 S ATOM 0 H CYS A 47 -0.136 -1.000 -7.982 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.447 1.670 -6.644 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -1.165 0.554 -4.724 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.203 0.036 -6.038 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.007 -1.845 -4.228 1.00 0.00 H new ATOM 609 N GLY A 48 1.579 -0.405 -5.353 1.00 0.00 N ATOM 610 CA GLY A 48 2.854 -1.080 -5.207 1.00 0.00 C ATOM 611 C GLY A 48 2.608 -2.423 -4.538 1.00 0.00 C ATOM 612 O GLY A 48 1.594 -2.557 -3.837 1.00 0.00 O ATOM 0 H GLY A 48 0.923 -0.616 -4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.323 -1.221 -6.181 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.537 -0.477 -4.609 1.00 0.00 H new ATOM 616 N PHE A 49 3.516 -3.395 -4.685 1.00 0.00 N ATOM 617 CA PHE A 49 3.369 -4.759 -4.185 1.00 0.00 C ATOM 618 C PHE A 49 4.565 -5.456 -4.799 1.00 0.00 C ATOM 619 O PHE A 49 4.583 -5.672 -6.012 1.00 0.00 O ATOM 620 CB PHE A 49 2.042 -5.444 -4.646 1.00 0.00 C ATOM 621 CG PHE A 49 1.951 -6.939 -4.342 1.00 0.00 C ATOM 622 CD1 PHE A 49 1.515 -7.397 -3.104 1.00 0.00 C ATOM 623 CD2 PHE A 49 2.307 -7.889 -5.303 1.00 0.00 C ATOM 624 CE1 PHE A 49 1.436 -8.749 -2.838 1.00 0.00 C ATOM 625 CE2 PHE A 49 2.229 -9.240 -5.032 1.00 0.00 C ATOM 626 CZ PHE A 49 1.792 -9.667 -3.803 1.00 0.00 C ATOM 0 H PHE A 49 4.400 -3.245 -5.171 1.00 0.00 H new ATOM 0 HA PHE A 49 3.326 -4.796 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.204 -4.939 -4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.929 -5.299 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.235 -6.686 -2.341 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.649 -7.561 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.094 -9.089 -1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.511 -9.960 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 49 1.727 -10.724 -3.591 1.00 0.00 H new ATOM 636 N THR A 50 5.544 -5.834 -3.993 1.00 0.00 N ATOM 637 CA THR A 50 6.835 -6.270 -4.517 1.00 0.00 C ATOM 638 C THR A 50 7.083 -7.708 -4.073 1.00 0.00 C ATOM 639 O THR A 50 6.826 -8.066 -2.914 1.00 0.00 O ATOM 640 CB THR A 50 8.008 -5.358 -4.041 1.00 0.00 C ATOM 641 OG1 THR A 50 7.591 -3.980 -4.035 1.00 0.00 O ATOM 642 CG2 THR A 50 9.260 -5.497 -4.938 1.00 0.00 C ATOM 0 H THR A 50 5.473 -5.849 -2.976 1.00 0.00 H new ATOM 0 HA THR A 50 6.801 -6.202 -5.604 1.00 0.00 H new ATOM 0 HB THR A 50 8.273 -5.681 -3.034 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.105 -3.486 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.049 -4.843 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.607 -6.530 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.008 -5.216 -5.961 1.00 0.00 H new ATOM 650 N CYS A 51 7.579 -8.507 -5.002 1.00 0.00 N ATOM 651 CA CYS A 51 7.865 -9.922 -4.779 1.00 0.00 C ATOM 652 C CYS A 51 8.850 -10.426 -5.827 1.00 0.00 C ATOM 653 O CYS A 51 8.963 -9.857 -6.924 1.00 0.00 O ATOM 654 CB CYS A 51 6.548 -10.738 -4.811 1.00 0.00 C ATOM 655 SG CYS A 51 5.521 -10.414 -6.261 1.00 0.00 S ATOM 0 H CYS A 51 7.799 -8.191 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 51 8.321 -10.049 -3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 51 6.790 -11.800 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.972 -10.515 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 51 5.744 -11.323 -7.163 1.00 0.00 H new ATOM 661 N ARG A 52 9.568 -11.499 -5.472 1.00 0.00 N ATOM 662 CA ARG A 52 10.489 -12.192 -6.381 1.00 0.00 C ATOM 663 C ARG A 52 9.728 -13.246 -7.226 1.00 0.00 C ATOM 664 O ARG A 52 10.329 -13.977 -8.020 1.00 0.00 O ATOM 665 CB ARG A 52 11.683 -12.795 -5.560 1.00 0.00 C ATOM 666 CG ARG A 52 11.321 -13.684 -4.326 1.00 0.00 C ATOM 667 CD ARG A 52 10.849 -15.108 -4.688 1.00 0.00 C ATOM 668 NE ARG A 52 11.877 -15.851 -5.431 1.00 0.00 N ATOM 669 CZ ARG A 52 11.651 -16.776 -6.374 1.00 0.00 C ATOM 670 NH1 ARG A 52 10.420 -17.102 -6.745 1.00 0.00 N ATOM 671 NH2 ARG A 52 12.672 -17.363 -6.966 1.00 0.00 N ATOM 0 H ARG A 52 9.526 -11.913 -4.541 1.00 0.00 H new ATOM 0 HA ARG A 52 10.915 -11.486 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.294 -13.391 -6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.305 -11.970 -5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.193 -13.757 -3.677 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.537 -13.188 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.596 -15.650 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.940 -15.049 -5.286 1.00 0.00 H new ATOM 0 HE ARG A 52 12.851 -15.644 -5.209 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.618 -16.645 -6.310 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.275 -17.809 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.626 -17.112 -6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.508 -18.068 -7.685 1.00 0.00 H new ATOM 685 N GLN A 53 8.394 -13.305 -7.033 1.00 0.00 N ATOM 686 CA GLN A 53 7.488 -14.209 -7.752 1.00 0.00 C ATOM 687 C GLN A 53 6.706 -13.387 -8.787 1.00 0.00 C ATOM 688 O GLN A 53 5.810 -12.626 -8.403 1.00 0.00 O ATOM 689 CB GLN A 53 6.495 -14.865 -6.754 1.00 0.00 C ATOM 690 CG GLN A 53 7.142 -15.615 -5.586 1.00 0.00 C ATOM 691 CD GLN A 53 6.117 -16.041 -4.535 1.00 0.00 C ATOM 692 OE1 GLN A 53 5.852 -15.310 -3.582 1.00 0.00 O ATOM 693 NE2 GLN A 53 5.517 -17.207 -4.714 1.00 0.00 N ATOM 0 H GLN A 53 7.912 -12.711 -6.358 1.00 0.00 H new ATOM 0 HA GLN A 53 8.061 -14.994 -8.246 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.845 -14.089 -6.350 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.859 -15.560 -7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.660 -16.496 -5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.895 -14.979 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.761 -17.788 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.810 -17.524 -4.050 1.00 0.00 H new ATOM 702 N LYS A 54 7.082 -13.500 -10.077 1.00 0.00 N ATOM 703 CA LYS A 54 6.363 -12.848 -11.195 1.00 0.00 C ATOM 704 C LYS A 54 4.846 -13.147 -11.137 1.00 0.00 C ATOM 705 O LYS A 54 4.030 -12.240 -11.254 1.00 0.00 O ATOM 706 CB LYS A 54 6.949 -13.295 -12.565 1.00 0.00 C ATOM 707 CG LYS A 54 6.269 -12.634 -13.793 1.00 0.00 C ATOM 708 CD LYS A 54 6.876 -13.071 -15.145 1.00 0.00 C ATOM 709 CE LYS A 54 6.775 -14.587 -15.388 1.00 0.00 C ATOM 710 NZ LYS A 54 7.264 -14.967 -16.733 1.00 0.00 N ATOM 0 H LYS A 54 7.891 -14.045 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 54 6.501 -11.772 -11.092 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.014 -13.064 -12.585 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.856 -14.378 -12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.207 -12.878 -13.785 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.348 -11.551 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.367 -12.545 -15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.924 -12.772 -15.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.353 -15.115 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.738 -14.904 -15.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.178 -15.996 -16.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.696 -14.484 -17.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.261 -14.688 -16.831 1.00 0.00 H new ATOM 724 N ALA A 55 4.527 -14.428 -10.899 1.00 0.00 N ATOM 725 CA ALA A 55 3.137 -14.935 -10.783 1.00 0.00 C ATOM 726 C ALA A 55 2.303 -14.167 -9.720 1.00 0.00 C ATOM 727 O ALA A 55 1.125 -13.862 -9.947 1.00 0.00 O ATOM 728 CB ALA A 55 3.151 -16.440 -10.465 1.00 0.00 C ATOM 0 H ALA A 55 5.231 -15.156 -10.779 1.00 0.00 H new ATOM 0 HA ALA A 55 2.653 -14.766 -11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.127 -16.804 -10.382 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.663 -16.976 -11.264 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.674 -16.608 -9.523 1.00 0.00 H new ATOM 734 N SER A 56 2.947 -13.838 -8.582 1.00 0.00 N ATOM 735 CA SER A 56 2.276 -13.203 -7.424 1.00 0.00 C ATOM 736 C SER A 56 1.678 -11.823 -7.792 1.00 0.00 C ATOM 737 O SER A 56 0.472 -11.597 -7.607 1.00 0.00 O ATOM 738 CB SER A 56 3.267 -13.072 -6.242 1.00 0.00 C ATOM 739 OG SER A 56 2.628 -12.611 -5.055 1.00 0.00 O ATOM 0 H SER A 56 3.943 -14.003 -8.438 1.00 0.00 H new ATOM 0 HA SER A 56 1.447 -13.844 -7.124 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.732 -14.039 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.066 -12.382 -6.514 1.00 0.00 H new ATOM 0 HG SER A 56 2.664 -11.632 -5.023 1.00 0.00 H new ATOM 745 N LEU A 57 2.512 -10.904 -8.336 1.00 0.00 N ATOM 746 CA LEU A 57 2.050 -9.562 -8.745 1.00 0.00 C ATOM 747 C LEU A 57 1.245 -9.610 -10.050 1.00 0.00 C ATOM 748 O LEU A 57 0.311 -8.826 -10.206 1.00 0.00 O ATOM 749 CB LEU A 57 3.220 -8.539 -8.888 1.00 0.00 C ATOM 750 CG LEU A 57 4.265 -8.812 -10.028 1.00 0.00 C ATOM 751 CD1 LEU A 57 4.828 -7.503 -10.613 1.00 0.00 C ATOM 752 CD2 LEU A 57 5.403 -9.720 -9.542 1.00 0.00 C ATOM 0 H LEU A 57 3.505 -11.070 -8.500 1.00 0.00 H new ATOM 0 HA LEU A 57 1.400 -9.218 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.789 -7.551 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.755 -8.500 -7.939 1.00 0.00 H new ATOM 0 HG LEU A 57 3.734 -9.332 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.547 -7.735 -11.398 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.013 -6.911 -11.030 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.322 -6.935 -9.825 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.108 -9.888 -10.357 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.919 -9.243 -8.709 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.992 -10.675 -9.215 1.00 0.00 H new ATOM 764 N ASN A 58 1.641 -10.503 -10.982 1.00 0.00 N ATOM 765 CA ASN A 58 0.971 -10.685 -12.299 1.00 0.00 C ATOM 766 C ASN A 58 -0.543 -10.868 -12.172 1.00 0.00 C ATOM 767 O ASN A 58 -1.307 -10.312 -12.967 1.00 0.00 O ATOM 768 CB ASN A 58 1.578 -11.889 -13.064 1.00 0.00 C ATOM 769 CG ASN A 58 0.898 -12.200 -14.412 1.00 0.00 C ATOM 770 OD1 ASN A 58 1.252 -11.630 -15.444 1.00 0.00 O ATOM 771 ND2 ASN A 58 -0.072 -13.116 -14.417 1.00 0.00 N ATOM 0 H ASN A 58 2.439 -11.124 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 58 1.146 -9.768 -12.861 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.636 -11.694 -13.242 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.519 -12.773 -12.429 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.540 -13.359 -15.290 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.346 -13.573 -13.547 1.00 0.00 H new ATOM 778 N TRP A 59 -0.963 -11.650 -11.178 1.00 0.00 N ATOM 779 CA TRP A 59 -2.382 -11.853 -10.894 1.00 0.00 C ATOM 780 C TRP A 59 -2.913 -10.668 -10.089 1.00 0.00 C ATOM 781 O TRP A 59 -3.853 -10.024 -10.541 1.00 0.00 O ATOM 782 CB TRP A 59 -2.620 -13.211 -10.173 1.00 0.00 C ATOM 783 CG TRP A 59 -2.480 -14.400 -11.096 1.00 0.00 C ATOM 784 CD1 TRP A 59 -1.420 -15.261 -11.201 1.00 0.00 C ATOM 785 CD2 TRP A 59 -3.440 -14.826 -12.080 1.00 0.00 C ATOM 786 NE1 TRP A 59 -1.672 -16.198 -12.170 1.00 0.00 N ATOM 787 CE2 TRP A 59 -2.904 -15.952 -12.723 1.00 0.00 C ATOM 788 CE3 TRP A 59 -4.705 -14.360 -12.475 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -3.579 -16.626 -13.738 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -5.378 -15.033 -13.478 1.00 0.00 C ATOM 791 CH2 TRP A 59 -4.813 -16.153 -14.103 1.00 0.00 C ATOM 0 H TRP A 59 -0.336 -12.156 -10.553 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.936 -11.902 -11.831 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.910 -13.310 -9.352 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.618 -13.214 -9.734 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.519 -15.210 -10.608 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.044 -16.956 -12.437 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -5.144 -13.493 -12.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.146 -17.490 -14.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.355 -14.690 -13.785 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.361 -16.653 -14.888 1.00 0.00 H new ATOM 802 N HIS A 60 -2.261 -10.354 -8.941 1.00 0.00 N ATOM 803 CA HIS A 60 -2.661 -9.238 -8.024 1.00 0.00 C ATOM 804 C HIS A 60 -3.089 -7.940 -8.759 1.00 0.00 C ATOM 805 O HIS A 60 -4.122 -7.344 -8.415 1.00 0.00 O ATOM 806 CB HIS A 60 -1.481 -8.939 -7.030 1.00 0.00 C ATOM 807 CG HIS A 60 -1.485 -7.575 -6.390 1.00 0.00 C ATOM 808 ND1 HIS A 60 -2.257 -7.197 -5.322 1.00 0.00 N ATOM 809 CD2 HIS A 60 -0.826 -6.465 -6.769 1.00 0.00 C ATOM 810 CE1 HIS A 60 -2.051 -5.886 -5.108 1.00 0.00 C ATOM 811 NE2 HIS A 60 -1.188 -5.373 -5.983 1.00 0.00 N ATOM 0 H HIS A 60 -1.440 -10.865 -8.618 1.00 0.00 H new ATOM 0 HA HIS A 60 -3.546 -9.574 -7.484 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.499 -9.689 -6.240 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.540 -9.064 -7.566 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.110 -6.426 -7.577 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -2.527 -5.318 -4.322 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.867 -4.408 -6.060 1.00 0.00 H new ATOM 819 N MET A 61 -2.297 -7.511 -9.754 1.00 0.00 N ATOM 820 CA MET A 61 -2.598 -6.304 -10.548 1.00 0.00 C ATOM 821 C MET A 61 -3.935 -6.422 -11.319 1.00 0.00 C ATOM 822 O MET A 61 -4.746 -5.502 -11.273 1.00 0.00 O ATOM 823 CB MET A 61 -1.437 -5.967 -11.515 1.00 0.00 C ATOM 824 CG MET A 61 -1.059 -7.073 -12.513 1.00 0.00 C ATOM 825 SD MET A 61 0.085 -6.519 -13.796 1.00 0.00 S ATOM 826 CE MET A 61 -0.957 -5.406 -14.750 1.00 0.00 C ATOM 0 H MET A 61 -1.437 -7.984 -10.031 1.00 0.00 H new ATOM 0 HA MET A 61 -2.707 -5.484 -9.839 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.705 -5.072 -12.077 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.556 -5.720 -10.923 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.610 -7.904 -11.970 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.966 -7.453 -12.984 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.407 -4.491 -14.969 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.245 -5.888 -15.684 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.851 -5.163 -14.176 1.00 0.00 H new ATOM 836 N LYS A 62 -4.153 -7.562 -12.002 1.00 0.00 N ATOM 837 CA LYS A 62 -5.390 -7.818 -12.786 1.00 0.00 C ATOM 838 C LYS A 62 -6.620 -7.978 -11.867 1.00 0.00 C ATOM 839 O LYS A 62 -7.734 -7.537 -12.192 1.00 0.00 O ATOM 840 CB LYS A 62 -5.204 -9.080 -13.665 1.00 0.00 C ATOM 841 CG LYS A 62 -3.975 -9.018 -14.598 1.00 0.00 C ATOM 842 CD LYS A 62 -3.887 -10.234 -15.545 1.00 0.00 C ATOM 843 CE LYS A 62 -3.798 -11.579 -14.801 1.00 0.00 C ATOM 844 NZ LYS A 62 -3.792 -12.728 -15.740 1.00 0.00 N ATOM 0 H LYS A 62 -3.484 -8.332 -12.030 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.570 -6.956 -13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.112 -9.952 -13.017 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.100 -9.225 -14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.018 -8.104 -15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.068 -8.965 -13.995 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.762 -10.243 -16.195 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.013 -10.123 -16.187 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.892 -11.600 -14.195 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.642 -11.673 -14.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.213 -13.558 -15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.345 -12.487 -16.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.813 -12.945 -16.016 1.00 0.00 H new ATOM 858 N LYS A 63 -6.373 -8.607 -10.716 1.00 0.00 N ATOM 859 CA LYS A 63 -7.393 -8.863 -9.697 1.00 0.00 C ATOM 860 C LYS A 63 -7.879 -7.551 -9.062 1.00 0.00 C ATOM 861 O LYS A 63 -9.055 -7.435 -8.707 1.00 0.00 O ATOM 862 CB LYS A 63 -6.878 -9.834 -8.595 1.00 0.00 C ATOM 863 CG LYS A 63 -6.385 -11.224 -9.085 1.00 0.00 C ATOM 864 CD LYS A 63 -7.370 -11.951 -10.034 1.00 0.00 C ATOM 865 CE LYS A 63 -8.745 -12.227 -9.406 1.00 0.00 C ATOM 866 NZ LYS A 63 -9.634 -12.957 -10.335 1.00 0.00 N ATOM 0 H LYS A 63 -5.449 -8.957 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.233 -9.341 -10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.060 -9.347 -8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.679 -9.989 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.431 -11.098 -9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.200 -11.858 -8.218 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.505 -11.349 -10.933 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.927 -12.897 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.618 -12.808 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.211 -11.284 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.552 -13.125 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.775 -12.392 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.200 -13.868 -10.586 1.00 0.00 H new ATOM 880 N HIS A 64 -6.976 -6.552 -8.921 1.00 0.00 N ATOM 881 CA HIS A 64 -7.348 -5.243 -8.335 1.00 0.00 C ATOM 882 C HIS A 64 -7.423 -4.134 -9.411 1.00 0.00 C ATOM 883 O HIS A 64 -7.690 -2.968 -9.094 1.00 0.00 O ATOM 884 CB HIS A 64 -6.443 -4.889 -7.119 1.00 0.00 C ATOM 885 CG HIS A 64 -5.277 -3.956 -7.337 1.00 0.00 C ATOM 886 ND1 HIS A 64 -5.242 -2.715 -6.771 1.00 0.00 N ATOM 887 CD2 HIS A 64 -4.032 -4.166 -7.836 1.00 0.00 C ATOM 888 CE1 HIS A 64 -4.017 -2.246 -6.901 1.00 0.00 C ATOM 889 NE2 HIS A 64 -3.219 -3.092 -7.526 1.00 0.00 N ATOM 0 H HIS A 64 -5.998 -6.625 -9.201 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.359 -5.321 -7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.078 -4.451 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.050 -5.822 -6.715 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.724 -5.040 -8.391 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.702 -1.279 -6.537 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.227 -2.979 -7.733 1.00 0.00 H new ATOM 1020 N SER A 73 -16.737 -7.902 -7.646 1.00 0.00 N ATOM 1021 CA SER A 73 -16.760 -7.279 -8.969 1.00 0.00 C ATOM 1022 C SER A 73 -16.879 -8.319 -10.071 1.00 0.00 C ATOM 1023 O SER A 73 -16.603 -9.503 -9.872 1.00 0.00 O ATOM 1024 CB SER A 73 -15.467 -6.468 -9.189 1.00 0.00 C ATOM 1025 OG SER A 73 -15.280 -5.496 -8.184 1.00 0.00 O ATOM 0 HA SER A 73 -17.630 -6.624 -9.010 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.612 -7.144 -9.204 1.00 0.00 H new ATOM 0 HB3 SER A 73 -15.505 -5.981 -10.163 1.00 0.00 H new ATOM 0 HG SER A 73 -15.726 -5.786 -7.361 1.00 0.00 H new ATOM 1031 N CYS A 74 -17.263 -7.823 -11.242 1.00 0.00 N ATOM 1032 CA CYS A 74 -17.214 -8.544 -12.503 1.00 0.00 C ATOM 1033 C CYS A 74 -16.009 -7.990 -13.263 1.00 0.00 C ATOM 1034 O CYS A 74 -15.968 -6.793 -13.530 1.00 0.00 O ATOM 1035 CB CYS A 74 -18.524 -8.332 -13.294 1.00 0.00 C ATOM 1036 SG CYS A 74 -18.415 -8.838 -15.035 1.00 0.00 S ATOM 0 H CYS A 74 -17.629 -6.876 -11.340 1.00 0.00 H new ATOM 0 HA CYS A 74 -17.113 -9.619 -12.350 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -19.324 -8.893 -12.811 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -18.800 -7.278 -13.247 1.00 0.00 H new ATOM 0 HG CYS A 74 -19.612 -9.003 -15.515 1.00 0.00 H new ATOM 1041 N ASN A 75 -15.011 -8.832 -13.561 1.00 0.00 N ATOM 1042 CA ASN A 75 -13.764 -8.372 -14.213 1.00 0.00 C ATOM 1043 C ASN A 75 -14.035 -7.855 -15.651 1.00 0.00 C ATOM 1044 O ASN A 75 -13.277 -7.028 -16.175 1.00 0.00 O ATOM 1045 CB ASN A 75 -12.701 -9.506 -14.219 1.00 0.00 C ATOM 1046 CG ASN A 75 -11.308 -9.032 -14.656 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -10.987 -9.025 -15.844 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -10.466 -8.649 -13.698 1.00 0.00 N ATOM 0 H ASN A 75 -15.036 -9.833 -13.365 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.371 -7.536 -13.634 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.634 -9.936 -13.220 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.032 -10.301 -14.887 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.525 -8.338 -13.940 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.762 -8.666 -12.722 1.00 0.00 H new ATOM 1055 N ILE A 76 -15.153 -8.312 -16.255 1.00 0.00 N ATOM 1056 CA ILE A 76 -15.460 -8.045 -17.664 1.00 0.00 C ATOM 1057 C ILE A 76 -16.149 -6.670 -17.844 1.00 0.00 C ATOM 1058 O ILE A 76 -15.802 -5.933 -18.771 1.00 0.00 O ATOM 1059 CB ILE A 76 -16.328 -9.195 -18.321 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -15.798 -10.615 -17.884 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -16.357 -9.052 -19.870 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -16.191 -11.781 -18.782 1.00 0.00 C ATOM 0 H ILE A 76 -15.859 -8.872 -15.778 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.504 -8.020 -18.188 1.00 0.00 H new ATOM 0 HB ILE A 76 -17.352 -9.098 -17.962 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -14.710 -10.574 -17.831 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.159 -10.821 -16.876 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.959 -9.853 -20.298 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.791 -8.089 -20.138 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.341 -9.114 -20.260 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -15.771 -12.705 -18.384 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.277 -11.862 -18.818 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -15.806 -11.612 -19.788 1.00 0.00 H new ATOM 1074 N CYS A 77 -17.109 -6.292 -16.951 1.00 0.00 N ATOM 1075 CA CYS A 77 -17.855 -5.012 -17.124 1.00 0.00 C ATOM 1076 C CYS A 77 -18.028 -4.226 -15.806 1.00 0.00 C ATOM 1077 O CYS A 77 -18.630 -3.145 -15.818 1.00 0.00 O ATOM 1078 CB CYS A 77 -19.229 -5.264 -17.800 1.00 0.00 C ATOM 1079 SG CYS A 77 -20.471 -6.066 -16.734 1.00 0.00 S ATOM 0 H CYS A 77 -17.377 -6.835 -16.131 1.00 0.00 H new ATOM 0 HA CYS A 77 -17.247 -4.386 -17.777 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -19.629 -4.310 -18.145 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -19.075 -5.883 -18.684 1.00 0.00 H new ATOM 0 HG CYS A 77 -19.916 -7.045 -16.082 1.00 0.00 H new ATOM 1084 N GLY A 78 -17.513 -4.775 -14.683 1.00 0.00 N ATOM 1085 CA GLY A 78 -17.524 -4.087 -13.384 1.00 0.00 C ATOM 1086 C GLY A 78 -18.900 -3.767 -12.854 1.00 0.00 C ATOM 1087 O GLY A 78 -19.112 -2.695 -12.295 1.00 0.00 O ATOM 0 H GLY A 78 -17.083 -5.700 -14.657 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -17.003 -4.708 -12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -16.959 -3.159 -13.474 1.00 0.00 H new ATOM 1091 N LYS A 79 -19.842 -4.706 -13.049 1.00 0.00 N ATOM 1092 CA LYS A 79 -21.247 -4.520 -12.669 1.00 0.00 C ATOM 1093 C LYS A 79 -21.399 -4.377 -11.127 1.00 0.00 C ATOM 1094 O LYS A 79 -22.214 -3.567 -10.668 1.00 0.00 O ATOM 1095 CB LYS A 79 -22.055 -5.715 -13.260 1.00 0.00 C ATOM 1096 CG LYS A 79 -23.551 -5.450 -13.538 1.00 0.00 C ATOM 1097 CD LYS A 79 -24.428 -5.341 -12.268 1.00 0.00 C ATOM 1098 CE LYS A 79 -25.923 -5.145 -12.573 1.00 0.00 C ATOM 1099 NZ LYS A 79 -26.733 -5.016 -11.331 1.00 0.00 N ATOM 0 H LYS A 79 -19.648 -5.613 -13.474 1.00 0.00 H new ATOM 0 HA LYS A 79 -21.643 -3.591 -13.078 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.582 -6.022 -14.193 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -21.977 -6.556 -12.571 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -23.644 -4.526 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.939 -6.253 -14.165 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -24.302 -6.244 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -24.076 -4.506 -11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -26.054 -4.253 -13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -26.288 -5.990 -13.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -27.734 -4.886 -11.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -26.629 -5.877 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -26.403 -4.195 -10.785 1.00 0.00 H new ATOM 1113 N LYS A 80 -20.587 -5.164 -10.361 1.00 0.00 N ATOM 1114 CA LYS A 80 -20.516 -5.142 -8.874 1.00 0.00 C ATOM 1115 C LYS A 80 -21.755 -5.829 -8.278 1.00 0.00 C ATOM 1116 O LYS A 80 -22.884 -5.359 -8.461 1.00 0.00 O ATOM 1117 CB LYS A 80 -20.362 -3.711 -8.265 1.00 0.00 C ATOM 1118 CG LYS A 80 -19.236 -2.839 -8.850 1.00 0.00 C ATOM 1119 CD LYS A 80 -17.820 -3.400 -8.635 1.00 0.00 C ATOM 1120 CE LYS A 80 -16.756 -2.436 -9.177 1.00 0.00 C ATOM 1121 NZ LYS A 80 -15.389 -2.941 -8.963 1.00 0.00 N ATOM 0 H LYS A 80 -19.950 -5.846 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.610 -5.687 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -21.306 -3.181 -8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -20.195 -3.812 -7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.406 -2.717 -9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.292 -1.847 -8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.651 -3.572 -7.572 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.728 -4.365 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.921 -2.277 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.864 -1.467 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.823 -2.215 -8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.424 -3.800 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.954 -3.164 -9.881 1.00 0.00 H new ATOM 1135 N PHE A 81 -21.538 -6.958 -7.595 1.00 0.00 N ATOM 1136 CA PHE A 81 -22.622 -7.754 -6.974 1.00 0.00 C ATOM 1137 C PHE A 81 -22.370 -7.895 -5.466 1.00 0.00 C ATOM 1138 O PHE A 81 -21.276 -7.606 -4.996 1.00 0.00 O ATOM 1139 CB PHE A 81 -22.719 -9.137 -7.657 1.00 0.00 C ATOM 1140 CG PHE A 81 -23.145 -9.046 -9.119 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -22.212 -8.820 -10.129 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -24.485 -9.148 -9.474 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -22.611 -8.714 -11.434 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -24.879 -9.032 -10.783 1.00 0.00 C ATOM 1145 CZ PHE A 81 -23.946 -8.816 -11.759 1.00 0.00 C ATOM 0 H PHE A 81 -20.608 -7.353 -7.453 1.00 0.00 H new ATOM 0 HA PHE A 81 -23.574 -7.241 -7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -21.752 -9.636 -7.596 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -23.432 -9.756 -7.113 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -21.165 -8.728 -9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -25.227 -9.321 -8.708 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -21.878 -8.550 -12.210 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -25.924 -9.111 -11.042 1.00 0.00 H new ATOM 0 HZ PHE A 81 -24.257 -8.725 -12.789 1.00 0.00 H new ATOM 1155 N GLU A 82 -23.400 -8.286 -4.697 1.00 0.00 N ATOM 1156 CA GLU A 82 -23.261 -8.528 -3.247 1.00 0.00 C ATOM 1157 C GLU A 82 -22.713 -9.940 -2.923 1.00 0.00 C ATOM 1158 O GLU A 82 -22.525 -10.261 -1.745 1.00 0.00 O ATOM 1159 CB GLU A 82 -24.619 -8.269 -2.546 1.00 0.00 C ATOM 1160 CG GLU A 82 -25.156 -6.837 -2.740 1.00 0.00 C ATOM 1161 CD GLU A 82 -26.494 -6.583 -2.031 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -27.554 -6.879 -2.616 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -26.496 -6.092 -0.884 1.00 0.00 O ATOM 0 H GLU A 82 -24.342 -8.442 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 82 -22.519 -7.829 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -25.355 -8.978 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -24.510 -8.465 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -24.417 -6.127 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -25.276 -6.644 -3.806 1.00 0.00 H new ATOM 1170 N LYS A 83 -22.459 -10.778 -3.961 1.00 0.00 N ATOM 1171 CA LYS A 83 -21.803 -12.069 -3.814 1.00 0.00 C ATOM 1172 C LYS A 83 -21.210 -12.483 -5.168 1.00 0.00 C ATOM 1173 O LYS A 83 -21.767 -12.174 -6.231 1.00 0.00 O ATOM 1174 CB LYS A 83 -22.789 -13.148 -3.256 1.00 0.00 C ATOM 1175 CG LYS A 83 -24.084 -13.338 -4.070 1.00 0.00 C ATOM 1176 CD LYS A 83 -25.047 -14.371 -3.447 1.00 0.00 C ATOM 1177 CE LYS A 83 -25.547 -13.976 -2.048 1.00 0.00 C ATOM 1178 NZ LYS A 83 -26.510 -14.969 -1.499 1.00 0.00 N ATOM 0 H LYS A 83 -22.712 -10.559 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 83 -20.996 -11.985 -3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -22.267 -14.103 -3.207 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -23.057 -12.878 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -24.596 -12.379 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -23.827 -13.654 -5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -25.904 -14.501 -4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -24.543 -15.335 -3.385 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -24.697 -13.883 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -26.024 -12.997 -2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -26.822 -14.665 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -27.334 -15.039 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -26.048 -15.898 -1.428 1.00 0.00 H new ATOM 1192 N LYS A 84 -20.050 -13.149 -5.105 1.00 0.00 N ATOM 1193 CA LYS A 84 -19.364 -13.740 -6.267 1.00 0.00 C ATOM 1194 C LYS A 84 -20.272 -14.759 -6.983 1.00 0.00 C ATOM 1195 O LYS A 84 -20.121 -14.982 -8.184 1.00 0.00 O ATOM 1196 CB LYS A 84 -18.049 -14.434 -5.832 1.00 0.00 C ATOM 1197 CG LYS A 84 -16.986 -13.499 -5.214 1.00 0.00 C ATOM 1198 CD LYS A 84 -15.699 -14.238 -4.759 1.00 0.00 C ATOM 1199 CE LYS A 84 -14.934 -14.898 -5.924 1.00 0.00 C ATOM 1200 NZ LYS A 84 -13.739 -15.649 -5.457 1.00 0.00 N ATOM 0 H LYS A 84 -19.550 -13.296 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.129 -12.931 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.290 -15.213 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -17.614 -14.929 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.718 -12.735 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.421 -12.983 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.041 -13.531 -4.255 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.965 -15.002 -4.029 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.601 -15.575 -6.457 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.624 -14.131 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.256 -16.076 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.089 -14.999 -4.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.035 -16.399 -4.800 1.00 0.00 H new ATOM 1214 N ASP A 85 -21.203 -15.375 -6.221 1.00 0.00 N ATOM 1215 CA ASP A 85 -22.238 -16.279 -6.767 1.00 0.00 C ATOM 1216 C ASP A 85 -23.037 -15.585 -7.878 1.00 0.00 C ATOM 1217 O ASP A 85 -23.273 -16.168 -8.943 1.00 0.00 O ATOM 1218 CB ASP A 85 -23.220 -16.751 -5.666 1.00 0.00 C ATOM 1219 CG ASP A 85 -22.519 -17.448 -4.498 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -22.102 -16.758 -3.541 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -22.363 -18.686 -4.540 1.00 0.00 O ATOM 0 H ASP A 85 -21.257 -15.259 -5.209 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.718 -17.146 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -23.775 -15.892 -5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.948 -17.433 -6.105 1.00 0.00 H new ATOM 1226 N SER A 86 -23.425 -14.318 -7.620 1.00 0.00 N ATOM 1227 CA SER A 86 -24.183 -13.512 -8.578 1.00 0.00 C ATOM 1228 C SER A 86 -23.314 -13.108 -9.792 1.00 0.00 C ATOM 1229 O SER A 86 -23.837 -12.935 -10.885 1.00 0.00 O ATOM 1230 CB SER A 86 -24.778 -12.279 -7.880 1.00 0.00 C ATOM 1231 OG SER A 86 -25.625 -12.661 -6.815 1.00 0.00 O ATOM 0 H SER A 86 -23.219 -13.835 -6.745 1.00 0.00 H new ATOM 0 HA SER A 86 -25.003 -14.119 -8.961 1.00 0.00 H new ATOM 0 HB2 SER A 86 -23.974 -11.647 -7.502 1.00 0.00 H new ATOM 0 HB3 SER A 86 -25.339 -11.684 -8.600 1.00 0.00 H new ATOM 0 HG SER A 86 -25.991 -11.860 -6.385 1.00 0.00 H new ATOM 1237 N VAL A 87 -21.986 -12.978 -9.571 1.00 0.00 N ATOM 1238 CA VAL A 87 -21.015 -12.528 -10.598 1.00 0.00 C ATOM 1239 C VAL A 87 -20.796 -13.629 -11.652 1.00 0.00 C ATOM 1240 O VAL A 87 -20.789 -13.363 -12.857 1.00 0.00 O ATOM 1241 CB VAL A 87 -19.613 -12.156 -9.957 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -18.586 -11.736 -11.035 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -19.751 -11.060 -8.870 1.00 0.00 C ATOM 0 H VAL A 87 -21.554 -13.183 -8.670 1.00 0.00 H new ATOM 0 HA VAL A 87 -21.437 -11.638 -11.066 1.00 0.00 H new ATOM 0 HB VAL A 87 -19.238 -13.058 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -17.638 -11.489 -10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -18.436 -12.558 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -18.959 -10.865 -11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -18.769 -10.833 -8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -20.174 -10.159 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -20.407 -11.416 -8.076 1.00 0.00 H new ATOM 1253 N VAL A 88 -20.618 -14.863 -11.157 1.00 0.00 N ATOM 1254 CA VAL A 88 -20.318 -16.056 -11.978 1.00 0.00 C ATOM 1255 C VAL A 88 -21.570 -16.449 -12.770 1.00 0.00 C ATOM 1256 O VAL A 88 -21.490 -16.826 -13.951 1.00 0.00 O ATOM 1257 CB VAL A 88 -19.832 -17.266 -11.085 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -19.566 -18.545 -11.934 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -18.581 -16.875 -10.259 1.00 0.00 C ATOM 0 H VAL A 88 -20.678 -15.068 -10.160 1.00 0.00 H new ATOM 0 HA VAL A 88 -19.508 -15.811 -12.665 1.00 0.00 H new ATOM 0 HB VAL A 88 -20.639 -17.503 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -19.234 -19.352 -11.281 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -20.484 -18.843 -12.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -18.794 -18.336 -12.674 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -18.265 -17.724 -9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -17.774 -16.591 -10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -18.823 -16.034 -9.609 1.00 0.00 H new ATOM 1269 N ALA A 89 -22.730 -16.293 -12.103 1.00 0.00 N ATOM 1270 CA ALA A 89 -24.035 -16.565 -12.709 1.00 0.00 C ATOM 1271 C ALA A 89 -24.335 -15.516 -13.799 1.00 0.00 C ATOM 1272 O ALA A 89 -24.888 -15.832 -14.852 1.00 0.00 O ATOM 1273 CB ALA A 89 -25.131 -16.578 -11.637 1.00 0.00 C ATOM 0 H ALA A 89 -22.782 -15.976 -11.135 1.00 0.00 H new ATOM 0 HA ALA A 89 -24.014 -17.550 -13.176 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -26.095 -16.781 -12.104 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -24.913 -17.354 -10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -25.166 -15.608 -11.141 1.00 0.00 H new ATOM 1279 N HIS A 90 -23.907 -14.269 -13.525 1.00 0.00 N ATOM 1280 CA HIS A 90 -24.043 -13.131 -14.456 1.00 0.00 C ATOM 1281 C HIS A 90 -23.078 -13.258 -15.642 1.00 0.00 C ATOM 1282 O HIS A 90 -23.377 -12.798 -16.727 1.00 0.00 O ATOM 1283 CB HIS A 90 -23.814 -11.794 -13.682 1.00 0.00 C ATOM 1284 CG HIS A 90 -23.250 -10.631 -14.465 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -24.012 -9.693 -15.111 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -21.960 -10.234 -14.624 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -23.185 -8.778 -15.623 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -21.923 -9.062 -15.351 1.00 0.00 N ATOM 0 H HIS A 90 -23.454 -14.021 -12.646 1.00 0.00 H new ATOM 0 HA HIS A 90 -25.053 -13.134 -14.867 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -24.768 -11.483 -13.255 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -23.142 -11.997 -12.848 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -25.029 -9.694 -15.187 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -21.096 -10.756 -14.240 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -23.506 -7.915 -16.188 1.00 0.00 H new ATOM 1296 N LYS A 91 -21.895 -13.824 -15.401 1.00 0.00 N ATOM 1297 CA LYS A 91 -20.858 -13.963 -16.437 1.00 0.00 C ATOM 1298 C LYS A 91 -21.264 -15.068 -17.423 1.00 0.00 C ATOM 1299 O LYS A 91 -20.978 -14.997 -18.616 1.00 0.00 O ATOM 1300 CB LYS A 91 -19.469 -14.247 -15.805 1.00 0.00 C ATOM 1301 CG LYS A 91 -18.294 -14.196 -16.808 1.00 0.00 C ATOM 1302 CD LYS A 91 -16.924 -14.483 -16.155 1.00 0.00 C ATOM 1303 CE LYS A 91 -16.793 -15.921 -15.635 1.00 0.00 C ATOM 1304 NZ LYS A 91 -15.470 -16.172 -15.028 1.00 0.00 N ATOM 0 H LYS A 91 -21.625 -14.198 -14.491 1.00 0.00 H new ATOM 0 HA LYS A 91 -20.772 -13.023 -16.982 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -19.287 -13.521 -15.013 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.490 -15.231 -15.337 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.470 -14.922 -17.602 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.267 -13.212 -17.276 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.135 -14.293 -16.882 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.770 -13.789 -15.329 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.572 -16.112 -14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.953 -16.619 -16.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.424 -17.154 -14.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.727 -16.015 -15.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.327 -15.523 -14.228 1.00 0.00 H new ATOM 1318 N ALA A 92 -21.951 -16.083 -16.887 1.00 0.00 N ATOM 1319 CA ALA A 92 -22.529 -17.172 -17.678 1.00 0.00 C ATOM 1320 C ALA A 92 -23.687 -16.659 -18.565 1.00 0.00 C ATOM 1321 O ALA A 92 -23.900 -17.161 -19.673 1.00 0.00 O ATOM 1322 CB ALA A 92 -23.001 -18.297 -16.746 1.00 0.00 C ATOM 0 H ALA A 92 -22.122 -16.171 -15.885 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.762 -17.569 -18.343 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.430 -19.105 -17.339 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -22.153 -18.677 -16.175 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.755 -17.910 -16.061 1.00 0.00 H new ATOM 1328 N LYS A 93 -24.407 -15.631 -18.075 1.00 0.00 N ATOM 1329 CA LYS A 93 -25.609 -15.081 -18.752 1.00 0.00 C ATOM 1330 C LYS A 93 -25.232 -13.984 -19.766 1.00 0.00 C ATOM 1331 O LYS A 93 -25.508 -14.092 -20.966 1.00 0.00 O ATOM 1332 CB LYS A 93 -26.599 -14.504 -17.691 1.00 0.00 C ATOM 1333 CG LYS A 93 -27.437 -15.566 -16.949 1.00 0.00 C ATOM 1334 CD LYS A 93 -28.359 -14.949 -15.868 1.00 0.00 C ATOM 1335 CE LYS A 93 -29.467 -15.908 -15.390 1.00 0.00 C ATOM 1336 NZ LYS A 93 -28.931 -17.180 -14.853 1.00 0.00 N ATOM 0 H LYS A 93 -24.177 -15.156 -17.202 1.00 0.00 H new ATOM 0 HA LYS A 93 -26.089 -15.894 -19.297 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -26.031 -13.931 -16.958 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -27.276 -13.807 -18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -28.044 -16.113 -17.670 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -26.769 -16.289 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -27.754 -14.649 -15.012 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -28.818 -14.044 -16.266 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -30.061 -15.415 -14.620 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -30.138 -16.124 -16.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -29.718 -17.787 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -28.386 -17.667 -15.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -28.311 -16.981 -14.042 1.00 0.00 H new ATOM 1350 N SER A 94 -24.577 -12.940 -19.247 1.00 0.00 N ATOM 1351 CA SER A 94 -24.339 -11.670 -19.941 1.00 0.00 C ATOM 1352 C SER A 94 -22.993 -11.679 -20.693 1.00 0.00 C ATOM 1353 O SER A 94 -22.707 -10.761 -21.470 1.00 0.00 O ATOM 1354 CB SER A 94 -24.392 -10.509 -18.908 1.00 0.00 C ATOM 1355 OG SER A 94 -24.249 -9.238 -19.518 1.00 0.00 O ATOM 0 H SER A 94 -24.186 -12.956 -18.305 1.00 0.00 H new ATOM 0 HA SER A 94 -25.118 -11.526 -20.689 1.00 0.00 H new ATOM 0 HB2 SER A 94 -25.340 -10.547 -18.371 1.00 0.00 H new ATOM 0 HB3 SER A 94 -23.602 -10.646 -18.170 1.00 0.00 H new ATOM 0 HG SER A 94 -23.793 -9.338 -20.380 1.00 0.00 H new ATOM 1361 N HIS A 95 -22.170 -12.734 -20.479 1.00 0.00 N ATOM 1362 CA HIS A 95 -20.853 -12.883 -21.146 1.00 0.00 C ATOM 1363 C HIS A 95 -20.641 -14.348 -21.652 1.00 0.00 C ATOM 1364 O HIS A 95 -19.620 -14.969 -21.316 1.00 0.00 O ATOM 1365 CB HIS A 95 -19.704 -12.486 -20.167 1.00 0.00 C ATOM 1366 CG HIS A 95 -19.820 -11.125 -19.547 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -19.955 -9.952 -20.254 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -19.810 -10.776 -18.240 1.00 0.00 C ATOM 1369 CE1 HIS A 95 -20.031 -8.952 -19.367 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -19.952 -9.408 -18.135 1.00 0.00 N ATOM 0 H HIS A 95 -22.397 -13.500 -19.845 1.00 0.00 H new ATOM 0 HA HIS A 95 -20.835 -12.217 -22.009 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -19.660 -13.226 -19.368 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -18.758 -12.541 -20.705 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -19.991 -9.861 -21.269 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -19.707 -11.460 -17.410 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -20.142 -7.910 -19.628 1.00 0.00 H new