USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 804 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 69 LYS NZ :NH3+ -136:sc= 1.23 (180deg=0) USER MOD Set 1.2: A 96 TYR OH : rot 171:sc= 0.357 USER MOD Set 2.1: A 57 TYR OH : rot 141:sc= 1.32 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 172:sc= 0.479 (180deg=-0.765) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.531 K(o=1.5,f=-0.37) USER MOD Set 3.2: A 34 LYS NZ :NH3+ 138:sc= 1.49 (180deg=1.12) USER MOD Set 3.3: A 41 THR OG1 : rot 103:sc= -0.501 USER MOD Single : A 0 SER OG : rot -163:sc= 0.882 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 GLY N :NH3+ 137:sc= 0.00844 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 0.584 (180deg=-0.111) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 0.323 (180deg=0.254) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.09) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc=-0.00973 (180deg=-0.104) USER MOD Single : A 37 TYR OH : rot 30:sc= 0.785 USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 1.27 (180deg=0.86) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.118 (180deg=-0.819) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.712 USER MOD Single : A 50 SER OG : rot 180:sc= -0.146 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 69:sc= 0.689 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -170:sc=-0.00434 (180deg=-0.115) USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= 1.18 (180deg=1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -154:sc= -0.612 (180deg=-1.62!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= 1.15 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 6.863 6.394 5.223 1.00 0.00 N ATOM 2 CA GLY A -1 8.190 6.253 4.581 1.00 0.00 C ATOM 3 C GLY A -1 8.702 4.831 4.648 1.00 0.00 C ATOM 4 O GLY A -1 8.510 4.145 5.652 1.00 0.00 O ATOM 0 H1 GLY A -1 6.846 7.260 5.798 1.00 0.00 H new ATOM 0 H2 GLY A -1 6.127 6.450 4.490 1.00 0.00 H new ATOM 0 H3 GLY A -1 6.683 5.571 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A -1 8.124 6.566 3.539 1.00 0.00 H new ATOM 0 HA3 GLY A -1 8.902 6.918 5.069 1.00 0.00 H new ATOM 10 N SER A 0 9.317 4.376 3.565 1.00 0.00 N ATOM 11 CA SER A 0 9.903 3.047 3.515 1.00 0.00 C ATOM 12 C SER A 0 11.141 3.004 4.399 1.00 0.00 C ATOM 13 O SER A 0 12.216 3.456 4.010 1.00 0.00 O ATOM 14 CB SER A 0 10.246 2.667 2.070 1.00 0.00 C ATOM 15 OG SER A 0 9.087 2.660 1.257 1.00 0.00 O ATOM 0 H SER A 0 9.422 4.913 2.704 1.00 0.00 H new ATOM 0 HA SER A 0 9.181 2.320 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 0 10.972 3.373 1.667 1.00 0.00 H new ATOM 0 HB3 SER A 0 10.714 1.683 2.051 1.00 0.00 H new ATOM 0 HG SER A 0 9.272 2.170 0.429 1.00 0.00 H new ATOM 21 N LEU A 1 10.967 2.495 5.608 1.00 0.00 N ATOM 22 CA LEU A 1 12.032 2.507 6.596 1.00 0.00 C ATOM 23 C LEU A 1 12.687 1.142 6.720 1.00 0.00 C ATOM 24 O LEU A 1 13.605 0.955 7.517 1.00 0.00 O ATOM 25 CB LEU A 1 11.476 2.930 7.954 1.00 0.00 C ATOM 26 CG LEU A 1 10.739 4.272 7.969 1.00 0.00 C ATOM 27 CD1 LEU A 1 9.949 4.435 9.259 1.00 0.00 C ATOM 28 CD2 LEU A 1 11.710 5.426 7.776 1.00 0.00 C ATOM 0 H LEU A 1 10.098 2.068 5.928 1.00 0.00 H new ATOM 0 HA LEU A 1 12.787 3.221 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 1 10.794 2.156 8.306 1.00 0.00 H new ATOM 0 HB3 LEU A 1 12.299 2.978 8.666 1.00 0.00 H new ATOM 0 HG LEU A 1 10.036 4.284 7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.432 5.395 9.250 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.218 3.630 9.342 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.629 4.397 10.110 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.163 6.368 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 1 12.445 5.421 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.219 5.317 6.818 1.00 0.00 H new ATOM 40 N ILE A 2 12.203 0.183 5.951 1.00 0.00 N ATOM 41 CA ILE A 2 12.777 -1.149 5.973 1.00 0.00 C ATOM 42 C ILE A 2 14.074 -1.171 5.157 1.00 0.00 C ATOM 43 O ILE A 2 14.075 -1.404 3.948 1.00 0.00 O ATOM 44 CB ILE A 2 11.766 -2.223 5.482 1.00 0.00 C ATOM 45 CG1 ILE A 2 12.426 -3.605 5.408 1.00 0.00 C ATOM 46 CG2 ILE A 2 11.149 -1.843 4.143 1.00 0.00 C ATOM 47 CD1 ILE A 2 12.857 -4.144 6.755 1.00 0.00 C ATOM 0 H ILE A 2 11.420 0.301 5.308 1.00 0.00 H new ATOM 0 HA ILE A 2 13.016 -1.404 7.006 1.00 0.00 H new ATOM 0 HB ILE A 2 10.959 -2.270 6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.729 -4.307 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 2 13.296 -3.548 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.448 -2.618 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.621 -0.894 4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 2 11.936 -1.744 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 2 13.315 -5.124 6.625 1.00 0.00 H new ATOM 0 HD12 ILE A 2 13.579 -3.463 7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 2 11.987 -4.234 7.406 1.00 0.00 H new ATOM 59 N LEU A 3 15.177 -0.891 5.849 1.00 0.00 N ATOM 60 CA LEU A 3 16.497 -0.768 5.227 1.00 0.00 C ATOM 61 C LEU A 3 17.040 -2.112 4.770 1.00 0.00 C ATOM 62 O LEU A 3 18.140 -2.191 4.219 1.00 0.00 O ATOM 63 CB LEU A 3 17.504 -0.060 6.169 1.00 0.00 C ATOM 64 CG LEU A 3 17.662 -0.594 7.615 1.00 0.00 C ATOM 65 CD1 LEU A 3 16.419 -0.321 8.456 1.00 0.00 C ATOM 66 CD2 LEU A 3 18.008 -2.078 7.630 1.00 0.00 C ATOM 0 H LEU A 3 15.182 -0.743 6.858 1.00 0.00 H new ATOM 0 HA LEU A 3 16.369 -0.148 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 3 18.484 -0.095 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 3 17.218 0.990 6.232 1.00 0.00 H new ATOM 0 HG LEU A 3 18.494 -0.051 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 3 16.568 -0.710 9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 3 16.241 0.753 8.505 1.00 0.00 H new ATOM 0 HD13 LEU A 3 15.558 -0.811 8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 3 18.111 -2.417 8.661 1.00 0.00 H new ATOM 0 HD22 LEU A 3 17.214 -2.642 7.140 1.00 0.00 H new ATOM 0 HD23 LEU A 3 18.947 -2.238 7.100 1.00 0.00 H new ATOM 78 N ASP A 4 16.265 -3.169 4.973 1.00 0.00 N ATOM 79 CA ASP A 4 16.646 -4.492 4.502 1.00 0.00 C ATOM 80 C ASP A 4 16.388 -4.587 3.000 1.00 0.00 C ATOM 81 O ASP A 4 15.934 -5.601 2.475 1.00 0.00 O ATOM 82 CB ASP A 4 15.888 -5.579 5.262 1.00 0.00 C ATOM 83 CG ASP A 4 16.433 -6.964 4.972 1.00 0.00 C ATOM 84 OD1 ASP A 4 17.668 -7.149 5.034 1.00 0.00 O ATOM 85 OD2 ASP A 4 15.631 -7.873 4.699 1.00 0.00 O ATOM 0 H ASP A 4 15.370 -3.135 5.460 1.00 0.00 H new ATOM 0 HA ASP A 4 17.709 -4.647 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 4 15.950 -5.382 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 4 14.833 -5.541 4.991 1.00 0.00 H new ATOM 90 N GLY A 5 16.683 -3.493 2.327 1.00 0.00 N ATOM 91 CA GLY A 5 16.637 -3.441 0.895 1.00 0.00 C ATOM 92 C GLY A 5 17.936 -2.885 0.363 1.00 0.00 C ATOM 93 O GLY A 5 18.577 -3.490 -0.493 1.00 0.00 O ATOM 0 H GLY A 5 16.961 -2.616 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 5 16.465 -4.439 0.491 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.804 -2.818 0.571 1.00 0.00 H new ATOM 97 N ASP A 6 18.307 -1.708 0.870 1.00 0.00 N ATOM 98 CA ASP A 6 19.652 -1.179 0.694 1.00 0.00 C ATOM 99 C ASP A 6 20.671 -2.213 1.159 1.00 0.00 C ATOM 100 O ASP A 6 21.745 -2.354 0.576 1.00 0.00 O ATOM 101 CB ASP A 6 19.814 0.125 1.485 1.00 0.00 C ATOM 102 CG ASP A 6 21.218 0.693 1.417 1.00 0.00 C ATOM 103 OD1 ASP A 6 21.595 1.241 0.360 1.00 0.00 O ATOM 104 OD2 ASP A 6 21.947 0.612 2.428 1.00 0.00 O ATOM 0 H ASP A 6 17.687 -1.103 1.409 1.00 0.00 H new ATOM 0 HA ASP A 6 19.820 -0.964 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP A 6 19.111 0.865 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.552 -0.055 2.528 1.00 0.00 H new ATOM 109 N LEU A 7 20.317 -2.944 2.209 1.00 0.00 N ATOM 110 CA LEU A 7 21.125 -4.073 2.654 1.00 0.00 C ATOM 111 C LEU A 7 20.624 -5.361 2.007 1.00 0.00 C ATOM 112 O LEU A 7 21.381 -6.057 1.327 1.00 0.00 O ATOM 113 CB LEU A 7 21.108 -4.215 4.183 1.00 0.00 C ATOM 114 CG LEU A 7 21.925 -3.177 4.968 1.00 0.00 C ATOM 115 CD1 LEU A 7 23.354 -3.124 4.449 1.00 0.00 C ATOM 116 CD2 LEU A 7 21.281 -1.802 4.902 1.00 0.00 C ATOM 0 H LEU A 7 19.479 -2.776 2.766 1.00 0.00 H new ATOM 0 HA LEU A 7 22.154 -3.886 2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.073 -4.163 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 7 21.478 -5.208 4.439 1.00 0.00 H new ATOM 0 HG LEU A 7 21.944 -3.485 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.920 -2.384 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 7 23.820 -4.103 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.348 -2.847 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 7 21.883 -1.091 5.467 1.00 0.00 H new ATOM 0 HD22 LEU A 7 21.218 -1.479 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 7 20.279 -1.849 5.329 1.00 0.00 H new ATOM 128 N LEU A 8 19.340 -5.650 2.227 1.00 0.00 N ATOM 129 CA LEU A 8 18.668 -6.828 1.671 1.00 0.00 C ATOM 130 C LEU A 8 19.385 -8.109 2.081 1.00 0.00 C ATOM 131 O LEU A 8 20.054 -8.754 1.270 1.00 0.00 O ATOM 132 CB LEU A 8 18.564 -6.734 0.146 1.00 0.00 C ATOM 133 CG LEU A 8 17.616 -7.746 -0.513 1.00 0.00 C ATOM 134 CD1 LEU A 8 16.177 -7.480 -0.101 1.00 0.00 C ATOM 135 CD2 LEU A 8 17.756 -7.699 -2.026 1.00 0.00 C ATOM 0 H LEU A 8 18.731 -5.068 2.802 1.00 0.00 H new ATOM 0 HA LEU A 8 17.658 -6.857 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.235 -5.729 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 8 19.560 -6.865 -0.278 1.00 0.00 H new ATOM 0 HG LEU A 8 17.890 -8.745 -0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.521 -8.208 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 8 16.087 -7.566 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.890 -6.475 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 8 17.077 -8.423 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 8 17.510 -6.699 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 18.782 -7.942 -2.304 1.00 0.00 H new ATOM 147 N LYS A 9 19.253 -8.462 3.347 1.00 0.00 N ATOM 148 CA LYS A 9 19.936 -9.625 3.882 1.00 0.00 C ATOM 149 C LYS A 9 18.951 -10.737 4.204 1.00 0.00 C ATOM 150 O LYS A 9 19.312 -11.917 4.195 1.00 0.00 O ATOM 151 CB LYS A 9 20.724 -9.249 5.137 1.00 0.00 C ATOM 152 CG LYS A 9 21.737 -8.142 4.904 1.00 0.00 C ATOM 153 CD LYS A 9 22.592 -7.902 6.134 1.00 0.00 C ATOM 154 CE LYS A 9 23.595 -6.788 5.900 1.00 0.00 C ATOM 155 NZ LYS A 9 24.563 -6.670 7.020 1.00 0.00 N ATOM 0 H LYS A 9 18.679 -7.959 4.024 1.00 0.00 H new ATOM 0 HA LYS A 9 20.627 -9.987 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 9 20.027 -8.936 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 9 21.242 -10.133 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 22.376 -8.404 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 9 21.217 -7.222 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.953 -7.647 6.979 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.119 -8.819 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.135 -6.975 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.066 -5.843 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 25.231 -5.898 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.051 -6.467 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 25.086 -7.563 7.122 1.00 0.00 H new ATOM 169 N ASP A 10 17.708 -10.368 4.485 1.00 0.00 N ATOM 170 CA ASP A 10 16.696 -11.353 4.839 1.00 0.00 C ATOM 171 C ASP A 10 15.295 -10.854 4.508 1.00 0.00 C ATOM 172 O ASP A 10 14.514 -10.503 5.397 1.00 0.00 O ATOM 173 CB ASP A 10 16.800 -11.714 6.327 1.00 0.00 C ATOM 174 CG ASP A 10 15.773 -12.743 6.763 1.00 0.00 C ATOM 175 OD1 ASP A 10 15.522 -13.704 6.005 1.00 0.00 O ATOM 176 OD2 ASP A 10 15.234 -12.613 7.885 1.00 0.00 O ATOM 0 H ASP A 10 17.379 -9.403 4.475 1.00 0.00 H new ATOM 0 HA ASP A 10 16.879 -12.249 4.246 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.799 -12.097 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.676 -10.810 6.924 1.00 0.00 H new ATOM 181 N LYS A 11 14.990 -10.784 3.219 1.00 0.00 N ATOM 182 CA LYS A 11 13.630 -10.502 2.791 1.00 0.00 C ATOM 183 C LYS A 11 12.794 -11.763 2.949 1.00 0.00 C ATOM 184 O LYS A 11 13.334 -12.876 2.924 1.00 0.00 O ATOM 185 CB LYS A 11 13.589 -10.000 1.343 1.00 0.00 C ATOM 186 CG LYS A 11 14.265 -10.918 0.338 1.00 0.00 C ATOM 187 CD LYS A 11 13.904 -10.537 -1.091 1.00 0.00 C ATOM 188 CE LYS A 11 12.423 -10.759 -1.378 1.00 0.00 C ATOM 189 NZ LYS A 11 12.060 -12.202 -1.361 1.00 0.00 N ATOM 0 H LYS A 11 15.659 -10.917 2.460 1.00 0.00 H new ATOM 0 HA LYS A 11 13.220 -9.708 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 11 12.548 -9.863 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.064 -9.020 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.346 -10.869 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.968 -11.949 0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.155 -9.490 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.502 -11.126 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.827 -10.227 -0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.175 -10.335 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.498 -12.428 -2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.926 -12.778 -1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.502 -12.410 -0.508 1.00 0.00 H new ATOM 203 N LEU A 12 11.488 -11.613 3.114 1.00 0.00 N ATOM 204 CA LEU A 12 10.657 -12.765 3.410 1.00 0.00 C ATOM 205 C LEU A 12 10.163 -13.430 2.136 1.00 0.00 C ATOM 206 O LEU A 12 10.376 -12.934 1.029 1.00 0.00 O ATOM 207 CB LEU A 12 9.467 -12.426 4.313 1.00 0.00 C ATOM 208 CG LEU A 12 9.798 -11.872 5.708 1.00 0.00 C ATOM 209 CD1 LEU A 12 10.268 -10.427 5.634 1.00 0.00 C ATOM 210 CD2 LEU A 12 8.581 -11.971 6.614 1.00 0.00 C ATOM 0 H LEU A 12 10.991 -10.724 3.049 1.00 0.00 H new ATOM 0 HA LEU A 12 11.294 -13.461 3.955 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.844 -11.697 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.866 -13.327 4.438 1.00 0.00 H new ATOM 0 HG LEU A 12 10.608 -12.473 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.494 -10.066 6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.164 -10.367 5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.483 -9.811 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.828 -11.576 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.761 -11.394 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.280 -13.015 6.707 1.00 0.00 H new ATOM 222 N LYS A 13 9.498 -14.563 2.318 1.00 0.00 N ATOM 223 CA LYS A 13 9.117 -15.434 1.215 1.00 0.00 C ATOM 224 C LYS A 13 7.804 -16.139 1.530 1.00 0.00 C ATOM 225 O LYS A 13 7.555 -17.254 1.073 1.00 0.00 O ATOM 226 CB LYS A 13 10.217 -16.482 0.948 1.00 0.00 C ATOM 227 CG LYS A 13 11.419 -16.416 1.894 1.00 0.00 C ATOM 228 CD LYS A 13 11.105 -16.939 3.292 1.00 0.00 C ATOM 229 CE LYS A 13 11.500 -15.926 4.362 1.00 0.00 C ATOM 230 NZ LYS A 13 11.573 -16.531 5.718 1.00 0.00 N ATOM 0 H LYS A 13 9.208 -14.904 3.234 1.00 0.00 H new ATOM 0 HA LYS A 13 8.990 -14.821 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.775 -17.476 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.572 -16.361 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.240 -16.995 1.471 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.761 -15.384 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.040 -17.158 3.370 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.636 -17.876 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.467 -15.493 4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.777 -15.110 4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.845 -15.803 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.644 -16.922 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.281 -17.292 5.721 1.00 0.00 H new ATOM 244 N LEU A 14 6.960 -15.475 2.302 1.00 0.00 N ATOM 245 CA LEU A 14 5.709 -16.067 2.744 1.00 0.00 C ATOM 246 C LEU A 14 4.585 -15.785 1.758 1.00 0.00 C ATOM 247 O LEU A 14 4.571 -14.741 1.101 1.00 0.00 O ATOM 248 CB LEU A 14 5.314 -15.539 4.128 1.00 0.00 C ATOM 249 CG LEU A 14 6.111 -16.086 5.311 1.00 0.00 C ATOM 250 CD1 LEU A 14 6.214 -17.601 5.234 1.00 0.00 C ATOM 251 CD2 LEU A 14 7.480 -15.445 5.372 1.00 0.00 C ATOM 0 H LEU A 14 7.119 -14.524 2.636 1.00 0.00 H new ATOM 0 HA LEU A 14 5.865 -17.144 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.412 -14.453 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.260 -15.763 4.292 1.00 0.00 H new ATOM 0 HG LEU A 14 5.583 -15.834 6.231 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.785 -17.971 6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.214 -18.035 5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.716 -17.885 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.033 -15.847 6.221 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.023 -15.659 4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.372 -14.367 5.488 1.00 0.00 H new ATOM 263 N PRO A 15 3.637 -16.723 1.632 1.00 0.00 N ATOM 264 CA PRO A 15 2.441 -16.529 0.824 1.00 0.00 C ATOM 265 C PRO A 15 1.438 -15.637 1.545 1.00 0.00 C ATOM 266 O PRO A 15 0.951 -15.994 2.620 1.00 0.00 O ATOM 267 CB PRO A 15 1.902 -17.948 0.646 1.00 0.00 C ATOM 268 CG PRO A 15 2.372 -18.692 1.843 1.00 0.00 C ATOM 269 CD PRO A 15 3.664 -18.052 2.273 1.00 0.00 C ATOM 0 HA PRO A 15 2.639 -16.033 -0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.814 -17.951 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.277 -18.400 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 15 1.632 -18.645 2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 15 2.522 -19.746 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 15 3.727 -17.970 3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.526 -18.635 1.947 1.00 0.00 H new ATOM 277 N VAL A 16 1.147 -14.486 0.931 1.00 0.00 N ATOM 278 CA VAL A 16 0.345 -13.409 1.527 1.00 0.00 C ATOM 279 C VAL A 16 0.669 -13.163 3.001 1.00 0.00 C ATOM 280 O VAL A 16 0.205 -13.852 3.914 1.00 0.00 O ATOM 281 CB VAL A 16 -1.180 -13.571 1.298 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.710 -14.892 1.829 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.946 -12.399 1.901 1.00 0.00 C ATOM 0 H VAL A 16 1.468 -14.271 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 16 0.644 -12.513 0.983 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.340 -13.576 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.782 -14.955 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.205 -15.716 1.324 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.523 -14.954 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.014 -12.535 1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.755 -12.353 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.618 -11.471 1.434 1.00 0.00 H new ATOM 293 N ILE A 17 1.481 -12.149 3.200 1.00 0.00 N ATOM 294 CA ILE A 17 1.894 -11.705 4.520 1.00 0.00 C ATOM 295 C ILE A 17 0.672 -11.161 5.266 1.00 0.00 C ATOM 296 O ILE A 17 -0.291 -10.721 4.633 1.00 0.00 O ATOM 297 CB ILE A 17 2.988 -10.609 4.412 1.00 0.00 C ATOM 298 CG1 ILE A 17 4.086 -11.036 3.428 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.601 -10.320 5.767 1.00 0.00 C ATOM 300 CD1 ILE A 17 5.161 -9.984 3.202 1.00 0.00 C ATOM 0 H ILE A 17 1.881 -11.599 2.440 1.00 0.00 H new ATOM 0 HA ILE A 17 2.315 -12.548 5.068 1.00 0.00 H new ATOM 0 HB ILE A 17 2.513 -9.700 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.556 -11.947 3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.626 -11.281 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.364 -9.549 5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.826 -9.974 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.054 -11.229 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.898 -10.363 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.705 -9.079 2.801 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.651 -9.755 4.149 1.00 0.00 H new ATOM 312 N ASP A 18 0.705 -11.198 6.594 1.00 0.00 N ATOM 313 CA ASP A 18 -0.468 -10.853 7.396 1.00 0.00 C ATOM 314 C ASP A 18 -0.897 -9.408 7.156 1.00 0.00 C ATOM 315 O ASP A 18 -0.058 -8.525 6.966 1.00 0.00 O ATOM 316 CB ASP A 18 -0.195 -11.079 8.884 1.00 0.00 C ATOM 317 CG ASP A 18 -1.463 -11.027 9.710 1.00 0.00 C ATOM 318 OD1 ASP A 18 -1.735 -9.977 10.322 1.00 0.00 O ATOM 319 OD2 ASP A 18 -2.200 -12.039 9.743 1.00 0.00 O ATOM 0 H ASP A 18 1.527 -11.462 7.138 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.282 -11.508 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.287 -12.047 9.021 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.502 -10.322 9.243 1.00 0.00 H new ATOM 324 N ASN A 19 -2.208 -9.181 7.175 1.00 0.00 N ATOM 325 CA ASN A 19 -2.777 -7.865 6.886 1.00 0.00 C ATOM 326 C ASN A 19 -2.315 -6.825 7.903 1.00 0.00 C ATOM 327 O ASN A 19 -2.302 -5.634 7.608 1.00 0.00 O ATOM 328 CB ASN A 19 -4.313 -7.922 6.852 1.00 0.00 C ATOM 329 CG ASN A 19 -4.948 -8.031 8.231 1.00 0.00 C ATOM 330 OD1 ASN A 19 -5.294 -7.026 8.852 1.00 0.00 O ATOM 331 ND2 ASN A 19 -5.105 -9.252 8.718 1.00 0.00 N ATOM 0 H ASN A 19 -2.902 -9.897 7.389 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.418 -7.566 5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.691 -7.028 6.357 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.624 -8.775 6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.525 -9.384 9.638 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.806 -10.061 8.173 1.00 0.00 H new ATOM 338 N LEU A 20 -1.930 -7.279 9.092 1.00 0.00 N ATOM 339 CA LEU A 20 -1.415 -6.389 10.119 1.00 0.00 C ATOM 340 C LEU A 20 -0.091 -5.776 9.678 1.00 0.00 C ATOM 341 O LEU A 20 0.152 -4.585 9.874 1.00 0.00 O ATOM 342 CB LEU A 20 -1.226 -7.156 11.426 1.00 0.00 C ATOM 343 CG LEU A 20 -0.398 -6.436 12.485 1.00 0.00 C ATOM 344 CD1 LEU A 20 -1.132 -5.211 13.009 1.00 0.00 C ATOM 345 CD2 LEU A 20 -0.046 -7.389 13.612 1.00 0.00 C ATOM 0 H LEU A 20 -1.966 -8.261 9.365 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.134 -5.586 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.208 -7.378 11.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.751 -8.111 11.203 1.00 0.00 H new ATOM 0 HG LEU A 20 0.529 -6.092 12.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.520 -4.715 13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.323 -4.522 12.186 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.079 -5.517 13.454 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.545 -6.863 14.362 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.961 -7.765 14.070 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.531 -8.224 13.215 1.00 0.00 H new ATOM 357 N PHE A 21 0.756 -6.598 9.069 1.00 0.00 N ATOM 358 CA PHE A 21 2.048 -6.138 8.587 1.00 0.00 C ATOM 359 C PHE A 21 1.843 -5.114 7.480 1.00 0.00 C ATOM 360 O PHE A 21 2.547 -4.106 7.407 1.00 0.00 O ATOM 361 CB PHE A 21 2.879 -7.321 8.079 1.00 0.00 C ATOM 362 CG PHE A 21 4.294 -6.961 7.723 1.00 0.00 C ATOM 363 CD1 PHE A 21 5.264 -6.858 8.708 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.656 -6.730 6.405 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.566 -6.528 8.386 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.957 -6.400 6.078 1.00 0.00 C ATOM 367 CZ PHE A 21 6.913 -6.299 7.069 1.00 0.00 C ATOM 0 H PHE A 21 0.569 -7.586 8.898 1.00 0.00 H new ATOM 0 HA PHE A 21 2.591 -5.669 9.408 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.893 -8.098 8.844 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.391 -7.746 7.202 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.999 -7.038 9.739 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.913 -6.809 5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.312 -6.449 9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.226 -6.221 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.931 -6.041 6.815 1.00 0.00 H new ATOM 377 N GLY A 22 0.854 -5.376 6.635 1.00 0.00 N ATOM 378 CA GLY A 22 0.512 -4.442 5.586 1.00 0.00 C ATOM 379 C GLY A 22 -0.082 -3.174 6.151 1.00 0.00 C ATOM 380 O GLY A 22 0.272 -2.076 5.735 1.00 0.00 O ATOM 0 H GLY A 22 0.283 -6.221 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.403 -4.201 5.006 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.199 -4.905 4.901 1.00 0.00 H new ATOM 384 N LYS A 23 -0.982 -3.335 7.112 1.00 0.00 N ATOM 385 CA LYS A 23 -1.609 -2.209 7.790 1.00 0.00 C ATOM 386 C LYS A 23 -0.544 -1.269 8.335 1.00 0.00 C ATOM 387 O LYS A 23 -0.645 -0.055 8.186 1.00 0.00 O ATOM 388 CB LYS A 23 -2.490 -2.713 8.936 1.00 0.00 C ATOM 389 CG LYS A 23 -3.964 -2.354 8.809 1.00 0.00 C ATOM 390 CD LYS A 23 -4.608 -3.017 7.604 1.00 0.00 C ATOM 391 CE LYS A 23 -6.126 -2.902 7.632 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.594 -1.491 7.621 1.00 0.00 N ATOM 0 H LYS A 23 -1.297 -4.247 7.442 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.228 -1.668 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.398 -3.797 8.997 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.110 -2.307 9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.490 -2.657 9.714 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.068 -1.272 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.227 -2.559 6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.325 -4.069 7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.542 -3.425 6.771 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.508 -3.400 8.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.611 -1.464 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.428 -1.063 8.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.071 -0.957 6.898 1.00 0.00 H new ATOM 406 N GLU A 24 0.479 -1.853 8.949 1.00 0.00 N ATOM 407 CA GLU A 24 1.618 -1.120 9.460 1.00 0.00 C ATOM 408 C GLU A 24 2.268 -0.266 8.379 1.00 0.00 C ATOM 409 O GLU A 24 2.415 0.943 8.543 1.00 0.00 O ATOM 410 CB GLU A 24 2.618 -2.122 10.004 1.00 0.00 C ATOM 411 CG GLU A 24 2.580 -2.260 11.507 1.00 0.00 C ATOM 412 CD GLU A 24 3.240 -1.096 12.221 1.00 0.00 C ATOM 413 OE1 GLU A 24 2.522 -0.259 12.805 1.00 0.00 O ATOM 414 OE2 GLU A 24 4.490 -1.004 12.193 1.00 0.00 O ATOM 0 H GLU A 24 0.536 -2.859 9.105 1.00 0.00 H new ATOM 0 HA GLU A 24 1.284 -0.443 10.246 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.426 -3.096 9.553 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.621 -1.823 9.700 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.543 -2.340 11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.077 -3.186 11.795 1.00 0.00 H new ATOM 421 N LEU A 25 2.656 -0.908 7.281 1.00 0.00 N ATOM 422 CA LEU A 25 3.267 -0.217 6.148 1.00 0.00 C ATOM 423 C LEU A 25 2.388 0.938 5.684 1.00 0.00 C ATOM 424 O LEU A 25 2.782 2.109 5.709 1.00 0.00 O ATOM 425 CB LEU A 25 3.424 -1.177 4.972 1.00 0.00 C ATOM 426 CG LEU A 25 4.051 -2.529 5.276 1.00 0.00 C ATOM 427 CD1 LEU A 25 3.906 -3.443 4.071 1.00 0.00 C ATOM 428 CD2 LEU A 25 5.513 -2.371 5.662 1.00 0.00 C ATOM 0 H LEU A 25 2.557 -1.915 7.151 1.00 0.00 H new ATOM 0 HA LEU A 25 4.238 0.157 6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.439 -1.348 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.027 -0.685 4.209 1.00 0.00 H new ATOM 0 HG LEU A 25 3.531 -2.977 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.356 -4.411 4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.849 -3.578 3.842 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.409 -2.996 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.941 -3.351 5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.058 -1.908 4.840 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.589 -1.741 6.548 1.00 0.00 H new ATOM 440 N LEU A 26 1.183 0.575 5.280 1.00 0.00 N ATOM 441 CA LEU A 26 0.249 1.500 4.666 1.00 0.00 C ATOM 442 C LEU A 26 -0.072 2.658 5.590 1.00 0.00 C ATOM 443 O LEU A 26 -0.150 3.798 5.153 1.00 0.00 O ATOM 444 CB LEU A 26 -1.037 0.770 4.278 1.00 0.00 C ATOM 445 CG LEU A 26 -0.978 -0.018 2.966 1.00 0.00 C ATOM 446 CD1 LEU A 26 0.149 -1.023 2.974 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.310 -0.688 2.688 1.00 0.00 C ATOM 0 H LEU A 26 0.824 -0.375 5.370 1.00 0.00 H new ATOM 0 HA LEU A 26 0.720 1.904 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.301 0.083 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.842 1.502 4.206 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.775 0.687 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.161 -1.564 2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.098 -0.504 3.107 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.002 -1.727 3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.250 -1.243 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.550 -1.373 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.089 0.070 2.610 1.00 0.00 H new ATOM 459 N ASP A 27 -0.244 2.359 6.866 1.00 0.00 N ATOM 460 CA ASP A 27 -0.600 3.377 7.848 1.00 0.00 C ATOM 461 C ASP A 27 0.502 4.424 7.980 1.00 0.00 C ATOM 462 O ASP A 27 0.228 5.598 8.226 1.00 0.00 O ATOM 463 CB ASP A 27 -0.882 2.743 9.207 1.00 0.00 C ATOM 464 CG ASP A 27 -1.604 3.690 10.141 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.833 3.853 9.988 1.00 0.00 O ATOM 466 OD2 ASP A 27 -0.950 4.261 11.042 1.00 0.00 O ATOM 0 H ASP A 27 -0.143 1.419 7.250 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.505 3.872 7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.482 1.844 9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.058 2.432 9.663 1.00 0.00 H new ATOM 471 N LYS A 28 1.750 4.001 7.801 1.00 0.00 N ATOM 472 CA LYS A 28 2.873 4.931 7.828 1.00 0.00 C ATOM 473 C LYS A 28 2.801 5.865 6.626 1.00 0.00 C ATOM 474 O LYS A 28 3.185 7.029 6.706 1.00 0.00 O ATOM 475 CB LYS A 28 4.214 4.188 7.813 1.00 0.00 C ATOM 476 CG LYS A 28 4.367 3.154 8.916 1.00 0.00 C ATOM 477 CD LYS A 28 5.742 2.503 8.882 1.00 0.00 C ATOM 478 CE LYS A 28 5.757 1.179 9.630 1.00 0.00 C ATOM 479 NZ LYS A 28 5.277 1.312 11.028 1.00 0.00 N ATOM 0 H LYS A 28 2.008 3.028 7.637 1.00 0.00 H new ATOM 0 HA LYS A 28 2.808 5.507 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.332 3.694 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.021 4.916 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.211 3.628 9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.598 2.389 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.041 2.339 7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.475 3.178 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.132 0.459 9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.771 0.779 9.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.370 0.398 11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.845 2.028 11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.279 1.603 11.026 1.00 0.00 H new ATOM 493 N PHE A 29 2.298 5.343 5.514 1.00 0.00 N ATOM 494 CA PHE A 29 2.182 6.126 4.285 1.00 0.00 C ATOM 495 C PHE A 29 0.802 6.746 4.141 1.00 0.00 C ATOM 496 O PHE A 29 0.529 7.419 3.151 1.00 0.00 O ATOM 497 CB PHE A 29 2.433 5.252 3.058 1.00 0.00 C ATOM 498 CG PHE A 29 3.832 4.747 2.928 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.760 5.437 2.169 1.00 0.00 C ATOM 500 CD2 PHE A 29 4.213 3.573 3.546 1.00 0.00 C ATOM 501 CE1 PHE A 29 6.046 4.961 2.028 1.00 0.00 C ATOM 502 CE2 PHE A 29 5.497 3.093 3.414 1.00 0.00 C ATOM 503 CZ PHE A 29 6.413 3.787 2.651 1.00 0.00 C ATOM 0 H PHE A 29 1.964 4.383 5.436 1.00 0.00 H new ATOM 0 HA PHE A 29 2.931 6.915 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.755 4.399 3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.183 5.824 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.474 6.358 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.496 3.025 4.140 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.763 5.506 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.786 2.176 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.419 3.410 2.541 1.00 0.00 H new ATOM 513 N GLN A 30 -0.065 6.519 5.117 1.00 0.00 N ATOM 514 CA GLN A 30 -1.462 6.904 4.991 1.00 0.00 C ATOM 515 C GLN A 30 -1.608 8.404 4.756 1.00 0.00 C ATOM 516 O GLN A 30 -2.475 8.835 4.002 1.00 0.00 O ATOM 517 CB GLN A 30 -2.259 6.474 6.223 1.00 0.00 C ATOM 518 CG GLN A 30 -2.526 7.589 7.194 1.00 0.00 C ATOM 519 CD GLN A 30 -3.741 7.353 8.067 1.00 0.00 C ATOM 520 OE1 GLN A 30 -4.391 8.298 8.511 1.00 0.00 O ATOM 521 NE2 GLN A 30 -4.068 6.096 8.315 1.00 0.00 N ATOM 0 H GLN A 30 0.174 6.072 6.002 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.867 6.388 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.210 6.052 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.716 5.680 6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.652 7.723 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.662 8.518 6.640 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.506 5.337 7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.883 5.885 8.891 1.00 0.00 H new ATOM 530 N ASP A 31 -0.746 9.193 5.385 1.00 0.00 N ATOM 531 CA ASP A 31 -0.794 10.640 5.237 1.00 0.00 C ATOM 532 C ASP A 31 -0.429 11.029 3.813 1.00 0.00 C ATOM 533 O ASP A 31 -0.973 11.975 3.249 1.00 0.00 O ATOM 534 CB ASP A 31 0.157 11.311 6.230 1.00 0.00 C ATOM 535 CG ASP A 31 0.176 12.820 6.096 1.00 0.00 C ATOM 536 OD1 ASP A 31 -0.709 13.484 6.675 1.00 0.00 O ATOM 537 OD2 ASP A 31 1.082 13.352 5.419 1.00 0.00 O ATOM 0 H ASP A 31 -0.007 8.855 6.001 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.808 10.980 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.138 11.045 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.165 10.925 6.079 1.00 0.00 H new ATOM 542 N ASP A 32 0.471 10.258 3.227 1.00 0.00 N ATOM 543 CA ASP A 32 0.916 10.486 1.864 1.00 0.00 C ATOM 544 C ASP A 32 -0.150 10.008 0.897 1.00 0.00 C ATOM 545 O ASP A 32 -0.447 10.663 -0.092 1.00 0.00 O ATOM 546 CB ASP A 32 2.227 9.741 1.605 1.00 0.00 C ATOM 547 CG ASP A 32 3.325 10.145 2.567 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.250 10.867 2.148 1.00 0.00 O ATOM 549 OD2 ASP A 32 3.262 9.743 3.748 1.00 0.00 O ATOM 0 H ASP A 32 0.912 9.459 3.682 1.00 0.00 H new ATOM 0 HA ASP A 32 1.086 11.553 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.053 8.668 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.555 9.934 0.583 1.00 0.00 H new ATOM 554 N ILE A 33 -0.734 8.864 1.208 1.00 0.00 N ATOM 555 CA ILE A 33 -1.821 8.299 0.421 1.00 0.00 C ATOM 556 C ILE A 33 -3.037 9.222 0.437 1.00 0.00 C ATOM 557 O ILE A 33 -3.727 9.393 -0.567 1.00 0.00 O ATOM 558 CB ILE A 33 -2.208 6.909 0.973 1.00 0.00 C ATOM 559 CG1 ILE A 33 -1.042 5.938 0.779 1.00 0.00 C ATOM 560 CG2 ILE A 33 -3.460 6.381 0.286 1.00 0.00 C ATOM 561 CD1 ILE A 33 -1.178 4.651 1.566 1.00 0.00 C ATOM 0 H ILE A 33 -0.469 8.298 2.014 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.480 8.194 -0.609 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.425 7.002 2.037 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.955 5.697 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.116 6.434 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.712 5.401 0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.287 7.069 0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.278 6.294 -0.785 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.313 4.015 1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.234 4.880 2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.085 4.131 1.259 1.00 0.00 H new ATOM 573 N LYS A 34 -3.268 9.840 1.577 1.00 0.00 N ATOM 574 CA LYS A 34 -4.407 10.715 1.767 1.00 0.00 C ATOM 575 C LYS A 34 -4.113 12.086 1.184 1.00 0.00 C ATOM 576 O LYS A 34 -5.016 12.852 0.853 1.00 0.00 O ATOM 577 CB LYS A 34 -4.708 10.797 3.253 1.00 0.00 C ATOM 578 CG LYS A 34 -5.998 11.515 3.606 1.00 0.00 C ATOM 579 CD LYS A 34 -6.246 11.487 5.105 1.00 0.00 C ATOM 580 CE LYS A 34 -6.374 10.060 5.623 1.00 0.00 C ATOM 581 NZ LYS A 34 -6.391 10.002 7.106 1.00 0.00 N ATOM 0 H LYS A 34 -2.671 9.750 2.399 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.281 10.320 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.750 9.785 3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.880 11.304 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.949 12.548 3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.833 11.045 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.427 11.990 5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.156 12.042 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.289 9.614 5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -5.543 9.463 5.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.111 9.320 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.457 9.703 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.617 10.943 7.488 1.00 0.00 H new ATOM 595 N ASP A 35 -2.837 12.379 1.069 1.00 0.00 N ATOM 596 CA ASP A 35 -2.385 13.574 0.382 1.00 0.00 C ATOM 597 C ASP A 35 -2.474 13.386 -1.128 1.00 0.00 C ATOM 598 O ASP A 35 -2.988 14.241 -1.851 1.00 0.00 O ATOM 599 CB ASP A 35 -0.946 13.892 0.767 1.00 0.00 C ATOM 600 CG ASP A 35 -0.418 15.130 0.075 1.00 0.00 C ATOM 601 OD1 ASP A 35 -0.697 16.246 0.551 1.00 0.00 O ATOM 602 OD2 ASP A 35 0.282 14.992 -0.949 1.00 0.00 O ATOM 0 H ASP A 35 -2.085 11.801 1.446 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.029 14.402 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.885 14.030 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.311 13.042 0.517 1.00 0.00 H new ATOM 607 N LYS A 36 -1.977 12.248 -1.590 1.00 0.00 N ATOM 608 CA LYS A 36 -1.898 11.949 -3.011 1.00 0.00 C ATOM 609 C LYS A 36 -3.261 11.599 -3.606 1.00 0.00 C ATOM 610 O LYS A 36 -3.606 12.060 -4.696 1.00 0.00 O ATOM 611 CB LYS A 36 -0.898 10.821 -3.249 1.00 0.00 C ATOM 612 CG LYS A 36 0.523 11.235 -2.946 1.00 0.00 C ATOM 613 CD LYS A 36 1.474 10.098 -3.182 1.00 0.00 C ATOM 614 CE LYS A 36 2.870 10.406 -2.661 1.00 0.00 C ATOM 615 NZ LYS A 36 3.412 11.678 -3.214 1.00 0.00 N ATOM 0 H LYS A 36 -1.617 11.506 -0.990 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.554 12.849 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.165 9.966 -2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.964 10.494 -4.287 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.801 12.083 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.596 11.567 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.094 9.200 -2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.524 9.883 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.844 10.467 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.540 9.586 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.427 11.746 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.275 11.695 -4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.913 12.483 -2.786 1.00 0.00 H new ATOM 629 N TYR A 37 -4.038 10.796 -2.893 1.00 0.00 N ATOM 630 CA TYR A 37 -5.314 10.313 -3.419 1.00 0.00 C ATOM 631 C TYR A 37 -6.481 10.717 -2.527 1.00 0.00 C ATOM 632 O TYR A 37 -7.606 10.882 -2.999 1.00 0.00 O ATOM 633 CB TYR A 37 -5.267 8.790 -3.567 1.00 0.00 C ATOM 634 CG TYR A 37 -4.077 8.317 -4.364 1.00 0.00 C ATOM 635 CD1 TYR A 37 -4.057 8.425 -5.747 1.00 0.00 C ATOM 636 CD2 TYR A 37 -2.961 7.787 -3.727 1.00 0.00 C ATOM 637 CE1 TYR A 37 -2.960 8.019 -6.476 1.00 0.00 C ATOM 638 CE2 TYR A 37 -1.860 7.373 -4.449 1.00 0.00 C ATOM 639 CZ TYR A 37 -1.866 7.495 -5.826 1.00 0.00 C ATOM 640 OH TYR A 37 -0.768 7.102 -6.554 1.00 0.00 O ATOM 0 H TYR A 37 -3.813 10.465 -1.955 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.472 10.772 -4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.240 8.334 -2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.182 8.448 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.915 8.834 -6.261 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.955 7.698 -2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.959 8.112 -7.552 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.001 6.957 -3.943 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.697 7.652 -7.362 1.00 0.00 H new ATOM 650 N GLY A 38 -6.212 10.879 -1.242 1.00 0.00 N ATOM 651 CA GLY A 38 -7.264 11.233 -0.306 1.00 0.00 C ATOM 652 C GLY A 38 -7.901 10.011 0.319 1.00 0.00 C ATOM 653 O GLY A 38 -9.120 9.943 0.472 1.00 0.00 O ATOM 0 H GLY A 38 -5.286 10.773 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.853 11.869 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.027 11.816 -0.822 1.00 0.00 H new ATOM 657 N VAL A 39 -7.070 9.043 0.678 1.00 0.00 N ATOM 658 CA VAL A 39 -7.544 7.784 1.215 1.00 0.00 C ATOM 659 C VAL A 39 -7.009 7.560 2.625 1.00 0.00 C ATOM 660 O VAL A 39 -5.934 8.046 2.970 1.00 0.00 O ATOM 661 CB VAL A 39 -7.061 6.620 0.343 1.00 0.00 C ATOM 662 CG1 VAL A 39 -7.764 5.333 0.723 1.00 0.00 C ATOM 663 CG2 VAL A 39 -7.252 6.920 -1.136 1.00 0.00 C ATOM 0 H VAL A 39 -6.055 9.111 0.604 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.633 7.825 1.231 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.993 6.494 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.404 4.522 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.555 5.099 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.839 5.451 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.900 6.075 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.309 7.089 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.684 7.811 -1.403 1.00 0.00 H new ATOM 673 N ASP A 40 -7.749 6.817 3.427 1.00 0.00 N ATOM 674 CA ASP A 40 -7.283 6.426 4.748 1.00 0.00 C ATOM 675 C ASP A 40 -7.010 4.923 4.768 1.00 0.00 C ATOM 676 O ASP A 40 -7.801 4.134 4.250 1.00 0.00 O ATOM 677 CB ASP A 40 -8.311 6.796 5.815 1.00 0.00 C ATOM 678 CG ASP A 40 -7.769 6.613 7.215 1.00 0.00 C ATOM 679 OD1 ASP A 40 -7.841 5.489 7.741 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.269 7.597 7.796 1.00 0.00 O ATOM 0 H ASP A 40 -8.678 6.471 3.187 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.360 6.961 4.971 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.618 7.833 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.202 6.181 5.688 1.00 0.00 H new ATOM 685 N THR A 41 -5.895 4.526 5.366 1.00 0.00 N ATOM 686 CA THR A 41 -5.452 3.138 5.311 1.00 0.00 C ATOM 687 C THR A 41 -6.190 2.254 6.310 1.00 0.00 C ATOM 688 O THR A 41 -6.120 1.025 6.235 1.00 0.00 O ATOM 689 CB THR A 41 -3.943 3.044 5.560 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.606 3.749 6.763 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.183 3.629 4.383 1.00 0.00 C ATOM 0 H THR A 41 -5.280 5.145 5.895 1.00 0.00 H new ATOM 0 HA THR A 41 -5.682 2.774 4.310 1.00 0.00 H new ATOM 0 HB THR A 41 -3.664 1.996 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.450 3.106 7.486 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.112 3.557 4.570 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.431 3.075 3.478 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.460 4.675 4.255 1.00 0.00 H new ATOM 699 N LYS A 42 -6.901 2.875 7.239 1.00 0.00 N ATOM 700 CA LYS A 42 -7.703 2.139 8.193 1.00 0.00 C ATOM 701 C LYS A 42 -9.051 1.796 7.562 1.00 0.00 C ATOM 702 O LYS A 42 -9.888 1.122 8.166 1.00 0.00 O ATOM 703 CB LYS A 42 -7.899 2.967 9.463 1.00 0.00 C ATOM 704 CG LYS A 42 -6.606 3.529 10.040 1.00 0.00 C ATOM 705 CD LYS A 42 -6.861 4.301 11.326 1.00 0.00 C ATOM 706 CE LYS A 42 -5.656 5.130 11.751 1.00 0.00 C ATOM 707 NZ LYS A 42 -4.442 4.304 11.984 1.00 0.00 N ATOM 0 H LYS A 42 -6.936 3.888 7.349 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.192 1.215 8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.577 3.792 9.246 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.383 2.347 10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.909 2.714 10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.134 4.184 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -7.721 4.957 11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.117 3.602 12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.442 5.873 10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.899 5.675 12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.737 4.863 12.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.696 3.462 12.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.042 4.009 11.070 1.00 0.00 H new ATOM 721 N ASP A 43 -9.241 2.276 6.338 1.00 0.00 N ATOM 722 CA ASP A 43 -10.448 2.006 5.567 1.00 0.00 C ATOM 723 C ASP A 43 -10.123 1.115 4.368 1.00 0.00 C ATOM 724 O ASP A 43 -10.973 0.361 3.887 1.00 0.00 O ATOM 725 CB ASP A 43 -11.072 3.326 5.102 1.00 0.00 C ATOM 726 CG ASP A 43 -12.339 3.137 4.292 1.00 0.00 C ATOM 727 OD1 ASP A 43 -12.339 3.493 3.094 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.344 2.657 4.854 1.00 0.00 O ATOM 0 H ASP A 43 -8.563 2.863 5.853 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.165 1.481 6.199 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.295 3.942 5.974 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.344 3.873 4.503 1.00 0.00 H new ATOM 733 N LEU A 44 -8.882 1.209 3.891 1.00 0.00 N ATOM 734 CA LEU A 44 -8.403 0.346 2.815 1.00 0.00 C ATOM 735 C LEU A 44 -8.429 -1.111 3.243 1.00 0.00 C ATOM 736 O LEU A 44 -7.864 -1.483 4.275 1.00 0.00 O ATOM 737 CB LEU A 44 -6.984 0.729 2.394 1.00 0.00 C ATOM 738 CG LEU A 44 -6.873 2.017 1.581 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.414 2.415 1.418 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.534 1.843 0.219 1.00 0.00 C ATOM 0 H LEU A 44 -8.190 1.876 4.234 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.070 0.481 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.371 0.829 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.562 -0.089 1.809 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.391 2.813 2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.351 3.335 0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.969 2.575 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.876 1.621 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.447 2.769 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.041 1.037 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.588 1.598 0.354 1.00 0.00 H new ATOM 752 N LYS A 45 -9.089 -1.923 2.441 1.00 0.00 N ATOM 753 CA LYS A 45 -9.237 -3.332 2.719 1.00 0.00 C ATOM 754 C LYS A 45 -8.041 -4.103 2.195 1.00 0.00 C ATOM 755 O LYS A 45 -7.937 -4.339 0.996 1.00 0.00 O ATOM 756 CB LYS A 45 -10.498 -3.835 2.043 1.00 0.00 C ATOM 757 CG LYS A 45 -10.970 -5.177 2.544 1.00 0.00 C ATOM 758 CD LYS A 45 -12.226 -5.600 1.814 1.00 0.00 C ATOM 759 CE LYS A 45 -13.071 -6.549 2.646 1.00 0.00 C ATOM 760 NZ LYS A 45 -13.535 -5.910 3.905 1.00 0.00 N ATOM 0 H LYS A 45 -9.538 -1.620 1.577 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.302 -3.481 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.293 -3.104 2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.321 -3.901 0.970 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.188 -5.922 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.164 -5.125 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.814 -4.718 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -11.955 -6.083 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.933 -6.875 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.491 -7.441 2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.433 -6.342 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -12.821 -6.048 4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.676 -4.892 3.746 1.00 0.00 H new ATOM 774 N ILE A 46 -7.140 -4.491 3.078 1.00 0.00 N ATOM 775 CA ILE A 46 -5.960 -5.215 2.651 1.00 0.00 C ATOM 776 C ILE A 46 -6.299 -6.658 2.320 1.00 0.00 C ATOM 777 O ILE A 46 -6.876 -7.389 3.127 1.00 0.00 O ATOM 778 CB ILE A 46 -4.822 -5.153 3.684 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.328 -3.707 3.804 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.687 -6.090 3.279 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.094 -3.537 4.655 1.00 0.00 C ATOM 0 H ILE A 46 -7.201 -4.320 4.082 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.601 -4.720 1.748 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.191 -5.480 4.656 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.121 -3.323 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.129 -3.096 4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.889 -6.036 4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.061 -7.112 3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.299 -5.792 2.305 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.815 -2.484 4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.299 -3.887 5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.275 -4.117 4.229 1.00 0.00 H new ATOM 793 N LEU A 47 -5.955 -7.039 1.108 1.00 0.00 N ATOM 794 CA LEU A 47 -6.235 -8.363 0.600 1.00 0.00 C ATOM 795 C LEU A 47 -4.988 -9.221 0.696 1.00 0.00 C ATOM 796 O LEU A 47 -4.998 -10.306 1.277 1.00 0.00 O ATOM 797 CB LEU A 47 -6.656 -8.268 -0.864 1.00 0.00 C ATOM 798 CG LEU A 47 -7.548 -7.078 -1.212 1.00 0.00 C ATOM 799 CD1 LEU A 47 -7.840 -7.061 -2.700 1.00 0.00 C ATOM 800 CD2 LEU A 47 -8.846 -7.122 -0.417 1.00 0.00 C ATOM 0 H LEU A 47 -5.470 -6.434 0.445 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.036 -8.809 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.758 -8.220 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.180 -9.185 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.019 -6.163 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.477 -6.208 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.904 -6.980 -3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -8.349 -7.983 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.464 -6.264 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.383 -8.042 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.621 -7.091 0.649 1.00 0.00 H new ATOM 812 N LYS A 48 -3.909 -8.708 0.127 1.00 0.00 N ATOM 813 CA LYS A 48 -2.673 -9.449 0.023 1.00 0.00 C ATOM 814 C LYS A 48 -1.475 -8.534 0.218 1.00 0.00 C ATOM 815 O LYS A 48 -1.129 -7.756 -0.667 1.00 0.00 O ATOM 816 CB LYS A 48 -2.577 -10.118 -1.346 1.00 0.00 C ATOM 817 CG LYS A 48 -1.316 -10.948 -1.532 1.00 0.00 C ATOM 818 CD LYS A 48 -1.191 -11.462 -2.957 1.00 0.00 C ATOM 819 CE LYS A 48 -2.378 -12.326 -3.355 1.00 0.00 C ATOM 820 NZ LYS A 48 -2.375 -12.644 -4.808 1.00 0.00 N ATOM 0 H LYS A 48 -3.870 -7.770 -0.272 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.668 -10.209 0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.447 -10.758 -1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.614 -9.351 -2.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.443 -10.345 -1.284 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.329 -11.790 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.111 -10.618 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.272 -12.040 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.360 -13.253 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.304 -11.810 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.200 -13.234 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.418 -11.762 -5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.504 -13.159 -5.049 1.00 0.00 H new ATOM 834 N THR A 49 -0.866 -8.613 1.378 1.00 0.00 N ATOM 835 CA THR A 49 0.403 -7.959 1.604 1.00 0.00 C ATOM 836 C THR A 49 1.512 -8.942 1.276 1.00 0.00 C ATOM 837 O THR A 49 1.504 -10.056 1.763 1.00 0.00 O ATOM 838 CB THR A 49 0.544 -7.496 3.066 1.00 0.00 C ATOM 839 OG1 THR A 49 -0.569 -6.667 3.420 1.00 0.00 O ATOM 840 CG2 THR A 49 1.842 -6.727 3.271 1.00 0.00 C ATOM 0 H THR A 49 -1.229 -9.125 2.182 1.00 0.00 H new ATOM 0 HA THR A 49 0.465 -7.076 0.967 1.00 0.00 H new ATOM 0 HB THR A 49 0.562 -8.379 3.705 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.958 -6.984 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.917 -6.411 4.312 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.688 -7.369 3.024 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.851 -5.850 2.624 1.00 0.00 H new ATOM 848 N SER A 50 2.422 -8.569 0.408 1.00 0.00 N ATOM 849 CA SER A 50 3.547 -9.430 0.093 1.00 0.00 C ATOM 850 C SER A 50 4.735 -8.590 -0.328 1.00 0.00 C ATOM 851 O SER A 50 4.657 -7.363 -0.339 1.00 0.00 O ATOM 852 CB SER A 50 3.177 -10.420 -1.018 1.00 0.00 C ATOM 853 OG SER A 50 2.048 -11.197 -0.654 1.00 0.00 O ATOM 0 H SER A 50 2.410 -7.680 -0.093 1.00 0.00 H new ATOM 0 HA SER A 50 3.810 -10.000 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.966 -9.876 -1.939 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.023 -11.076 -1.222 1.00 0.00 H new ATOM 0 HG SER A 50 1.831 -11.819 -1.380 1.00 0.00 H new ATOM 859 N GLU A 51 5.827 -9.245 -0.662 1.00 0.00 N ATOM 860 CA GLU A 51 7.002 -8.550 -1.132 1.00 0.00 C ATOM 861 C GLU A 51 7.672 -9.347 -2.236 1.00 0.00 C ATOM 862 O GLU A 51 7.675 -10.578 -2.211 1.00 0.00 O ATOM 863 CB GLU A 51 7.978 -8.280 0.016 1.00 0.00 C ATOM 864 CG GLU A 51 8.545 -9.523 0.679 1.00 0.00 C ATOM 865 CD GLU A 51 9.732 -9.197 1.555 1.00 0.00 C ATOM 866 OE1 GLU A 51 9.616 -9.298 2.790 1.00 0.00 O ATOM 867 OE2 GLU A 51 10.786 -8.818 1.004 1.00 0.00 O ATOM 0 H GLU A 51 5.923 -10.259 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 51 6.694 -7.586 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.805 -7.679 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.470 -7.682 0.773 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.770 -10.001 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.843 -10.240 -0.086 1.00 0.00 H new ATOM 874 N ASP A 52 8.212 -8.641 -3.208 1.00 0.00 N ATOM 875 CA ASP A 52 8.903 -9.259 -4.323 1.00 0.00 C ATOM 876 C ASP A 52 9.982 -8.319 -4.820 1.00 0.00 C ATOM 877 O ASP A 52 9.709 -7.150 -5.104 1.00 0.00 O ATOM 878 CB ASP A 52 7.926 -9.594 -5.454 1.00 0.00 C ATOM 879 CG ASP A 52 8.600 -10.285 -6.622 1.00 0.00 C ATOM 880 OD1 ASP A 52 8.362 -9.879 -7.781 1.00 0.00 O ATOM 881 OD2 ASP A 52 9.370 -11.239 -6.389 1.00 0.00 O ATOM 0 H ASP A 52 8.185 -7.622 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 52 9.356 -10.192 -3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.133 -10.234 -5.066 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.453 -8.677 -5.804 1.00 0.00 H new ATOM 886 N LYS A 53 11.207 -8.826 -4.903 1.00 0.00 N ATOM 887 CA LYS A 53 12.361 -8.015 -5.280 1.00 0.00 C ATOM 888 C LYS A 53 12.517 -6.850 -4.299 1.00 0.00 C ATOM 889 O LYS A 53 12.290 -7.003 -3.098 1.00 0.00 O ATOM 890 CB LYS A 53 12.211 -7.490 -6.719 1.00 0.00 C ATOM 891 CG LYS A 53 11.773 -8.546 -7.725 1.00 0.00 C ATOM 892 CD LYS A 53 12.721 -9.732 -7.760 1.00 0.00 C ATOM 893 CE LYS A 53 14.104 -9.343 -8.255 1.00 0.00 C ATOM 894 NZ LYS A 53 14.990 -10.525 -8.383 1.00 0.00 N ATOM 0 H LYS A 53 11.428 -9.803 -4.713 1.00 0.00 H new ATOM 0 HA LYS A 53 13.255 -8.637 -5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.485 -6.677 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 13.163 -7.069 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.770 -8.892 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.716 -8.099 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.801 -10.161 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.309 -10.506 -8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.019 -8.845 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 53 14.550 -8.626 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.925 -10.223 -8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.091 -10.985 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.576 -11.197 -9.060 1.00 0.00 H new ATOM 908 N ARG A 54 12.885 -5.684 -4.812 1.00 0.00 N ATOM 909 CA ARG A 54 13.066 -4.499 -3.978 1.00 0.00 C ATOM 910 C ARG A 54 11.726 -3.862 -3.599 1.00 0.00 C ATOM 911 O ARG A 54 11.692 -2.725 -3.129 1.00 0.00 O ATOM 912 CB ARG A 54 13.896 -3.447 -4.720 1.00 0.00 C ATOM 913 CG ARG A 54 15.264 -3.910 -5.174 1.00 0.00 C ATOM 914 CD ARG A 54 16.015 -2.764 -5.836 1.00 0.00 C ATOM 915 NE ARG A 54 17.298 -3.175 -6.404 1.00 0.00 N ATOM 916 CZ ARG A 54 18.353 -2.366 -6.509 1.00 0.00 C ATOM 917 NH1 ARG A 54 18.284 -1.118 -6.058 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.476 -2.799 -7.068 1.00 0.00 N ATOM 0 H ARG A 54 13.065 -5.531 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 54 13.578 -4.825 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.335 -3.113 -5.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.020 -2.581 -4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.832 -4.281 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.161 -4.739 -5.874 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.395 -2.338 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.184 -1.976 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 54 17.391 -4.134 -6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.423 -0.777 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.092 -0.501 -6.139 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.535 -3.755 -7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.280 -2.176 -7.146 1.00 0.00 H new ATOM 932 N PHE A 55 10.626 -4.576 -3.788 1.00 0.00 N ATOM 933 CA PHE A 55 9.314 -3.956 -3.665 1.00 0.00 C ATOM 934 C PHE A 55 8.384 -4.746 -2.752 1.00 0.00 C ATOM 935 O PHE A 55 8.418 -5.974 -2.719 1.00 0.00 O ATOM 936 CB PHE A 55 8.657 -3.834 -5.042 1.00 0.00 C ATOM 937 CG PHE A 55 9.613 -3.512 -6.157 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.966 -4.484 -7.079 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.156 -2.245 -6.285 1.00 0.00 C ATOM 940 CE1 PHE A 55 10.842 -4.199 -8.107 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.032 -1.955 -7.311 1.00 0.00 C ATOM 942 CZ PHE A 55 11.376 -2.932 -8.222 1.00 0.00 C ATOM 0 H PHE A 55 10.613 -5.568 -4.023 1.00 0.00 H new ATOM 0 HA PHE A 55 9.472 -2.971 -3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.149 -4.770 -5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.892 -3.058 -4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.551 -5.477 -6.992 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.891 -1.476 -5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.109 -4.966 -8.819 1.00 0.00 H new ATOM 0 HE2 PHE A 55 11.448 -0.963 -7.401 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.063 -2.705 -9.024 1.00 0.00 H new ATOM 952 N TYR A 56 7.565 -4.024 -2.003 1.00 0.00 N ATOM 953 CA TYR A 56 6.438 -4.619 -1.305 1.00 0.00 C ATOM 954 C TYR A 56 5.172 -4.404 -2.117 1.00 0.00 C ATOM 955 O TYR A 56 5.011 -3.370 -2.762 1.00 0.00 O ATOM 956 CB TYR A 56 6.265 -4.019 0.094 1.00 0.00 C ATOM 957 CG TYR A 56 7.073 -4.719 1.158 1.00 0.00 C ATOM 958 CD1 TYR A 56 6.516 -5.751 1.902 1.00 0.00 C ATOM 959 CD2 TYR A 56 8.389 -4.363 1.412 1.00 0.00 C ATOM 960 CE1 TYR A 56 7.248 -6.410 2.867 1.00 0.00 C ATOM 961 CE2 TYR A 56 9.128 -5.015 2.380 1.00 0.00 C ATOM 962 CZ TYR A 56 8.556 -6.040 3.102 1.00 0.00 C ATOM 963 OH TYR A 56 9.297 -6.701 4.055 1.00 0.00 O ATOM 0 H TYR A 56 7.662 -3.018 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 56 6.631 -5.686 -1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.550 -2.967 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.211 -4.056 0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.492 -6.042 1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 56 8.843 -3.564 0.845 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.800 -7.211 3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.150 -4.723 2.570 1.00 0.00 H new ATOM 0 HH TYR A 56 9.481 -7.614 3.751 1.00 0.00 H new ATOM 973 N TYR A 57 4.290 -5.382 -2.097 1.00 0.00 N ATOM 974 CA TYR A 57 3.038 -5.300 -2.831 1.00 0.00 C ATOM 975 C TYR A 57 1.867 -5.515 -1.886 1.00 0.00 C ATOM 976 O TYR A 57 1.620 -6.633 -1.436 1.00 0.00 O ATOM 977 CB TYR A 57 3.002 -6.342 -3.954 1.00 0.00 C ATOM 978 CG TYR A 57 4.014 -6.104 -5.052 1.00 0.00 C ATOM 979 CD1 TYR A 57 3.707 -5.293 -6.136 1.00 0.00 C ATOM 980 CD2 TYR A 57 5.273 -6.691 -5.009 1.00 0.00 C ATOM 981 CE1 TYR A 57 4.623 -5.074 -7.144 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.195 -6.474 -6.016 1.00 0.00 C ATOM 983 CZ TYR A 57 5.864 -5.664 -7.080 1.00 0.00 C ATOM 984 OH TYR A 57 6.778 -5.442 -8.087 1.00 0.00 O ATOM 0 H TYR A 57 4.416 -6.250 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 57 2.962 -4.308 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.174 -7.329 -3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.004 -6.354 -4.392 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.735 -4.826 -6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.535 -7.326 -4.176 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.367 -4.441 -7.981 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.170 -6.937 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 57 7.674 -5.347 -7.701 1.00 0.00 H new ATOM 994 N VAL A 58 1.167 -4.440 -1.560 1.00 0.00 N ATOM 995 CA VAL A 58 0.007 -4.532 -0.689 1.00 0.00 C ATOM 996 C VAL A 58 -1.279 -4.354 -1.484 1.00 0.00 C ATOM 997 O VAL A 58 -1.711 -3.231 -1.742 1.00 0.00 O ATOM 998 CB VAL A 58 0.037 -3.482 0.441 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.040 -3.787 1.470 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.410 -3.411 1.091 1.00 0.00 C ATOM 0 H VAL A 58 1.381 -3.497 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 58 0.038 -5.525 -0.240 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.168 -2.504 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.009 -3.039 2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.018 -3.766 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.866 -4.775 1.897 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.399 -2.662 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.663 -4.383 1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.153 -3.136 0.342 1.00 0.00 H new ATOM 1010 N SER A 59 -1.873 -5.463 -1.882 1.00 0.00 N ATOM 1011 CA SER A 59 -3.127 -5.430 -2.611 1.00 0.00 C ATOM 1012 C SER A 59 -4.262 -5.088 -1.658 1.00 0.00 C ATOM 1013 O SER A 59 -4.399 -5.708 -0.602 1.00 0.00 O ATOM 1014 CB SER A 59 -3.390 -6.781 -3.272 1.00 0.00 C ATOM 1015 OG SER A 59 -4.478 -6.714 -4.175 1.00 0.00 O ATOM 0 H SER A 59 -1.507 -6.400 -1.712 1.00 0.00 H new ATOM 0 HA SER A 59 -3.067 -4.668 -3.388 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.496 -7.108 -3.802 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.597 -7.528 -2.506 1.00 0.00 H new ATOM 0 HG SER A 59 -4.620 -7.594 -4.583 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.051 -4.092 -2.022 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.170 -3.647 -1.210 1.00 0.00 C ATOM 1023 C VAL A 60 -7.374 -3.359 -2.093 1.00 0.00 C ATOM 1024 O VAL A 60 -7.228 -3.052 -3.277 1.00 0.00 O ATOM 1025 CB VAL A 60 -5.836 -2.365 -0.403 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.589 -2.565 0.439 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.671 -1.169 -1.327 1.00 0.00 C ATOM 0 H VAL A 60 -4.934 -3.569 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.390 -4.451 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.672 -2.164 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.375 -1.652 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.749 -3.387 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.745 -2.800 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.437 -0.283 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.860 -1.361 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.597 -1.004 -1.878 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.557 -3.465 -1.527 1.00 0.00 N ATOM 1038 CA ASP A 61 -9.756 -3.053 -2.231 1.00 0.00 C ATOM 1039 C ASP A 61 -9.972 -1.573 -1.981 1.00 0.00 C ATOM 1040 O ASP A 61 -9.991 -1.130 -0.828 1.00 0.00 O ATOM 1041 CB ASP A 61 -10.974 -3.848 -1.767 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.146 -3.679 -2.710 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.434 -4.625 -3.473 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -12.774 -2.601 -2.704 1.00 0.00 O ATOM 0 H ASP A 61 -8.716 -3.830 -0.588 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.629 -3.244 -3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.714 -4.904 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.262 -3.523 -0.767 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.117 -0.806 -3.048 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.173 0.642 -2.930 1.00 0.00 C ATOM 1051 C ALA A 62 -11.584 1.131 -2.616 1.00 0.00 C ATOM 1052 O ALA A 62 -11.807 2.328 -2.425 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.639 1.290 -4.196 1.00 0.00 C ATOM 0 H ALA A 62 -10.198 -1.159 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.541 0.936 -2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.685 2.375 -4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.605 0.984 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.243 0.977 -5.048 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.540 0.210 -2.575 1.00 0.00 N ATOM 1060 CA GLY A 63 -13.887 0.553 -2.160 1.00 0.00 C ATOM 1061 C GLY A 63 -14.733 1.142 -3.272 1.00 0.00 C ATOM 1062 O GLY A 63 -15.933 0.882 -3.343 1.00 0.00 O ATOM 0 H GLY A 63 -12.406 -0.770 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.378 -0.341 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -13.834 1.267 -1.338 1.00 0.00 H new ATOM 1066 N ASP A 64 -14.114 1.934 -4.143 1.00 0.00 N ATOM 1067 CA ASP A 64 -14.825 2.554 -5.261 1.00 0.00 C ATOM 1068 C ASP A 64 -15.194 1.498 -6.292 1.00 0.00 C ATOM 1069 O ASP A 64 -16.007 1.736 -7.183 1.00 0.00 O ATOM 1070 CB ASP A 64 -13.963 3.636 -5.926 1.00 0.00 C ATOM 1071 CG ASP A 64 -12.911 3.058 -6.857 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -12.950 3.356 -8.072 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -12.047 2.295 -6.384 1.00 0.00 O ATOM 0 H ASP A 64 -13.121 2.163 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.731 3.019 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.607 4.313 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.473 4.229 -5.154 1.00 0.00 H new ATOM 1078 N GLY A 65 -14.581 0.336 -6.162 1.00 0.00 N ATOM 1079 CA GLY A 65 -14.819 -0.740 -7.089 1.00 0.00 C ATOM 1080 C GLY A 65 -13.523 -1.282 -7.634 1.00 0.00 C ATOM 1081 O GLY A 65 -13.448 -2.438 -8.040 1.00 0.00 O ATOM 0 H GLY A 65 -13.915 0.119 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.370 -1.538 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.443 -0.386 -7.910 1.00 0.00 H new ATOM 1085 N GLU A 66 -12.492 -0.446 -7.628 1.00 0.00 N ATOM 1086 CA GLU A 66 -11.194 -0.830 -8.124 1.00 0.00 C ATOM 1087 C GLU A 66 -10.458 -1.680 -7.101 1.00 0.00 C ATOM 1088 O GLU A 66 -10.919 -1.851 -5.970 1.00 0.00 O ATOM 1089 CB GLU A 66 -10.381 0.417 -8.426 1.00 0.00 C ATOM 1090 CG GLU A 66 -9.620 0.332 -9.722 1.00 0.00 C ATOM 1091 CD GLU A 66 -10.537 0.315 -10.925 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -11.126 1.372 -11.240 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -10.677 -0.750 -11.557 1.00 0.00 O ATOM 0 H GLU A 66 -12.540 0.511 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.326 -1.417 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.048 1.278 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.679 0.591 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.940 1.180 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.007 -0.569 -9.722 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.304 -2.191 -7.488 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.512 -3.018 -6.603 1.00 0.00 C ATOM 1102 C LYS A 67 -7.061 -2.628 -6.766 1.00 0.00 C ATOM 1103 O LYS A 67 -6.495 -2.778 -7.844 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.722 -4.497 -6.921 1.00 0.00 C ATOM 1105 CG LYS A 67 -8.249 -5.430 -5.820 1.00 0.00 C ATOM 1106 CD LYS A 67 -8.538 -6.886 -6.154 1.00 0.00 C ATOM 1107 CE LYS A 67 -10.028 -7.143 -6.342 1.00 0.00 C ATOM 1108 NZ LYS A 67 -10.822 -6.791 -5.133 1.00 0.00 N ATOM 0 H LYS A 67 -8.896 -2.046 -8.411 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.819 -2.863 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.782 -4.673 -7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.194 -4.740 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.178 -5.298 -5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.741 -5.167 -4.884 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.005 -7.162 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.158 -7.524 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.389 -6.564 -7.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.185 -8.194 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.796 -7.138 -5.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.392 -7.231 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.834 -5.758 -5.014 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.474 -2.106 -5.709 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.176 -1.468 -5.803 1.00 0.00 C ATOM 1124 C CYS A 68 -4.100 -2.324 -5.182 1.00 0.00 C ATOM 1125 O CYS A 68 -4.384 -3.249 -4.434 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.223 -0.096 -5.131 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.353 1.209 -6.055 1.00 0.00 S ATOM 0 H CYS A 68 -6.876 -2.111 -4.772 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.931 -1.341 -6.857 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.264 0.198 -5.000 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.787 -0.175 -4.135 1.00 0.00 H new ATOM 1132 N LYS A 69 -2.864 -2.012 -5.510 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.735 -2.759 -5.014 1.00 0.00 C ATOM 1134 C LYS A 69 -0.625 -1.787 -4.654 1.00 0.00 C ATOM 1135 O LYS A 69 0.152 -1.367 -5.515 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.271 -3.741 -6.083 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.270 -4.769 -5.602 1.00 0.00 C ATOM 1138 CD LYS A 69 0.109 -5.714 -6.732 1.00 0.00 C ATOM 1139 CE LYS A 69 -1.126 -6.321 -7.384 1.00 0.00 C ATOM 1140 NZ LYS A 69 -0.821 -6.927 -8.706 1.00 0.00 N ATOM 0 H LYS A 69 -2.618 -1.237 -6.125 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.013 -3.324 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.142 -4.260 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.829 -3.180 -6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.622 -4.268 -5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.692 -5.336 -4.772 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.690 -5.175 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.747 -6.509 -6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.546 -7.081 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.887 -5.550 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.559 -6.660 -9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.102 -6.583 -9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.792 -7.963 -8.615 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.586 -1.397 -3.392 1.00 0.00 N ATOM 1155 CA PHE A 70 0.389 -0.428 -2.928 1.00 0.00 C ATOM 1156 C PHE A 70 1.782 -1.015 -2.985 1.00 0.00 C ATOM 1157 O PHE A 70 2.135 -1.905 -2.210 1.00 0.00 O ATOM 1158 CB PHE A 70 0.053 0.058 -1.519 1.00 0.00 C ATOM 1159 CG PHE A 70 -1.090 1.030 -1.498 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.395 0.590 -1.367 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -0.855 2.389 -1.630 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.446 1.488 -1.366 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -1.900 3.291 -1.627 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.197 2.840 -1.495 1.00 0.00 C ATOM 0 H PHE A 70 -1.220 -1.738 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 70 0.355 0.437 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.193 -0.799 -0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.933 0.529 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.595 -0.466 -1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.158 2.747 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.461 1.132 -1.264 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.702 4.348 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.017 3.543 -1.493 1.00 0.00 H new ATOM 1174 N LYS A 71 2.557 -0.520 -3.929 1.00 0.00 N ATOM 1175 CA LYS A 71 3.885 -1.026 -4.162 1.00 0.00 C ATOM 1176 C LYS A 71 4.894 -0.226 -3.361 1.00 0.00 C ATOM 1177 O LYS A 71 5.509 0.731 -3.848 1.00 0.00 O ATOM 1178 CB LYS A 71 4.198 -1.001 -5.656 1.00 0.00 C ATOM 1179 CG LYS A 71 5.614 -1.404 -6.006 1.00 0.00 C ATOM 1180 CD LYS A 71 5.694 -1.842 -7.453 1.00 0.00 C ATOM 1181 CE LYS A 71 7.132 -1.991 -7.910 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.262 -2.922 -9.057 1.00 0.00 N ATOM 0 H LYS A 71 2.281 0.240 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 71 3.945 -2.062 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.506 -1.668 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.015 0.004 -6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.290 -0.567 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.940 -2.215 -5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.172 -2.791 -7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.184 -1.113 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.525 -1.014 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.739 -2.352 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.236 -2.890 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.040 -3.889 -8.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.601 -2.641 -9.809 1.00 0.00 H new ATOM 1196 N ILE A 72 5.033 -0.612 -2.111 1.00 0.00 N ATOM 1197 CA ILE A 72 5.931 0.057 -1.206 1.00 0.00 C ATOM 1198 C ILE A 72 7.345 -0.440 -1.434 1.00 0.00 C ATOM 1199 O ILE A 72 7.755 -1.463 -0.886 1.00 0.00 O ATOM 1200 CB ILE A 72 5.526 -0.165 0.263 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.064 0.243 0.470 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.440 0.626 1.188 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.555 0.008 1.874 1.00 0.00 C ATOM 0 H ILE A 72 4.527 -1.396 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 72 5.878 1.127 -1.406 1.00 0.00 H new ATOM 0 HB ILE A 72 5.629 -1.223 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.954 1.300 0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.440 -0.312 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.142 0.460 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.470 0.298 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.363 1.688 0.955 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.513 0.322 1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.631 -1.052 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.153 0.585 2.579 1.00 0.00 H new ATOM 1215 N ARG A 73 8.058 0.250 -2.305 1.00 0.00 N ATOM 1216 CA ARG A 73 9.455 -0.050 -2.549 1.00 0.00 C ATOM 1217 C ARG A 73 10.208 0.108 -1.246 1.00 0.00 C ATOM 1218 O ARG A 73 10.305 1.213 -0.717 1.00 0.00 O ATOM 1219 CB ARG A 73 10.016 0.892 -3.617 1.00 0.00 C ATOM 1220 CG ARG A 73 11.335 0.451 -4.239 1.00 0.00 C ATOM 1221 CD ARG A 73 11.572 1.178 -5.557 1.00 0.00 C ATOM 1222 NE ARG A 73 12.869 0.878 -6.165 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.098 0.921 -7.482 1.00 0.00 C ATOM 1224 NH1 ARG A 73 12.099 1.155 -8.324 1.00 0.00 N ATOM 1225 NH2 ARG A 73 14.320 0.726 -7.952 1.00 0.00 N ATOM 0 H ARG A 73 7.690 1.025 -2.857 1.00 0.00 H new ATOM 0 HA ARG A 73 9.565 -1.071 -2.914 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.276 0.999 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.153 1.878 -3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.155 0.656 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.322 -0.626 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 73 10.781 0.911 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.499 2.252 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 73 13.641 0.622 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.155 1.302 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.275 1.187 -9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.090 0.542 -7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.491 0.759 -8.957 1.00 0.00 H new ATOM 1239 N LYS A 74 10.676 -1.009 -0.707 1.00 0.00 N ATOM 1240 CA LYS A 74 11.404 -0.995 0.557 1.00 0.00 C ATOM 1241 C LYS A 74 12.607 -0.062 0.469 1.00 0.00 C ATOM 1242 O LYS A 74 12.985 0.360 -0.626 1.00 0.00 O ATOM 1243 CB LYS A 74 11.846 -2.408 0.951 1.00 0.00 C ATOM 1244 CG LYS A 74 12.636 -3.140 -0.103 1.00 0.00 C ATOM 1245 CD LYS A 74 13.092 -4.492 0.409 1.00 0.00 C ATOM 1246 CE LYS A 74 11.932 -5.456 0.601 1.00 0.00 C ATOM 1247 NZ LYS A 74 12.385 -6.776 1.115 1.00 0.00 N ATOM 0 H LYS A 74 10.566 -1.934 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 74 10.733 -0.623 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.447 -2.346 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.961 -2.996 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 74 12.025 -3.271 -0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 74 13.502 -2.545 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.807 -4.922 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.615 -4.362 1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.212 -5.024 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.415 -5.595 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 11.707 -7.511 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.323 -6.998 0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.442 -6.743 2.153 1.00 0.00 H new ATOM 1261 N ASP A 75 13.201 0.263 1.615 1.00 0.00 N ATOM 1262 CA ASP A 75 14.336 1.180 1.645 1.00 0.00 C ATOM 1263 C ASP A 75 15.553 0.531 0.997 1.00 0.00 C ATOM 1264 O ASP A 75 16.452 0.035 1.672 1.00 0.00 O ATOM 1265 CB ASP A 75 14.663 1.627 3.072 1.00 0.00 C ATOM 1266 CG ASP A 75 15.794 2.640 3.113 1.00 0.00 C ATOM 1267 OD1 ASP A 75 15.629 3.749 2.563 1.00 0.00 O ATOM 1268 OD2 ASP A 75 16.852 2.338 3.701 1.00 0.00 O ATOM 0 H ASP A 75 12.917 -0.092 2.528 1.00 0.00 H new ATOM 0 HA ASP A 75 14.062 2.069 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.773 2.061 3.528 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.935 0.757 3.670 1.00 0.00 H new ATOM 1273 N VAL A 76 15.519 0.476 -0.322 1.00 0.00 N ATOM 1274 CA VAL A 76 16.607 -0.059 -1.120 1.00 0.00 C ATOM 1275 C VAL A 76 17.423 1.082 -1.689 1.00 0.00 C ATOM 1276 O VAL A 76 18.500 0.886 -2.252 1.00 0.00 O ATOM 1277 CB VAL A 76 16.077 -0.911 -2.294 1.00 0.00 C ATOM 1278 CG1 VAL A 76 15.359 -2.147 -1.790 1.00 0.00 C ATOM 1279 CG2 VAL A 76 15.154 -0.089 -3.183 1.00 0.00 C ATOM 0 H VAL A 76 14.727 0.805 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 76 17.218 -0.689 -0.473 1.00 0.00 H new ATOM 0 HB VAL A 76 16.934 -1.232 -2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.996 -2.728 -2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 76 16.048 -2.754 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 76 14.516 -1.849 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.792 -0.709 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 76 14.307 0.268 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.701 0.763 -3.586 1.00 0.00 H new ATOM 1289 N ASP A 77 16.884 2.274 -1.508 1.00 0.00 N ATOM 1290 CA ASP A 77 17.382 3.476 -2.163 1.00 0.00 C ATOM 1291 C ASP A 77 16.490 4.660 -1.817 1.00 0.00 C ATOM 1292 O ASP A 77 16.967 5.709 -1.382 1.00 0.00 O ATOM 1293 CB ASP A 77 17.411 3.279 -3.681 1.00 0.00 C ATOM 1294 CG ASP A 77 17.843 4.520 -4.429 1.00 0.00 C ATOM 1295 OD1 ASP A 77 16.966 5.221 -4.979 1.00 0.00 O ATOM 1296 OD2 ASP A 77 19.061 4.789 -4.486 1.00 0.00 O ATOM 0 H ASP A 77 16.083 2.439 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 77 18.395 3.672 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.089 2.461 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.419 2.982 -4.022 1.00 0.00 H new ATOM 1301 N VAL A 78 15.187 4.482 -2.006 1.00 0.00 N ATOM 1302 CA VAL A 78 14.221 5.521 -1.689 1.00 0.00 C ATOM 1303 C VAL A 78 13.276 5.048 -0.589 1.00 0.00 C ATOM 1304 O VAL A 78 12.812 3.906 -0.589 1.00 0.00 O ATOM 1305 CB VAL A 78 13.405 5.955 -2.932 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.566 4.803 -3.450 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.517 7.154 -2.634 1.00 0.00 C ATOM 0 H VAL A 78 14.777 3.625 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 78 14.782 6.388 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 78 14.119 6.250 -3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.001 5.129 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.218 3.975 -3.728 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.876 4.477 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.961 7.427 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.818 6.900 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.135 7.995 -2.320 1.00 0.00 H new ATOM 1317 N PRO A 79 13.005 5.925 0.367 1.00 0.00 N ATOM 1318 CA PRO A 79 12.115 5.653 1.488 1.00 0.00 C ATOM 1319 C PRO A 79 10.643 5.938 1.177 1.00 0.00 C ATOM 1320 O PRO A 79 9.940 6.531 1.994 1.00 0.00 O ATOM 1321 CB PRO A 79 12.622 6.648 2.522 1.00 0.00 C ATOM 1322 CG PRO A 79 13.005 7.830 1.717 1.00 0.00 C ATOM 1323 CD PRO A 79 13.579 7.275 0.445 1.00 0.00 C ATOM 0 HA PRO A 79 12.133 4.605 1.787 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.851 6.894 3.252 1.00 0.00 H new ATOM 0 HB3 PRO A 79 13.471 6.250 3.077 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.142 8.464 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.736 8.444 2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.300 7.880 -0.418 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.668 7.246 0.476 1.00 0.00 H new ATOM 1331 N LYS A 80 10.160 5.485 0.029 1.00 0.00 N ATOM 1332 CA LYS A 80 8.779 5.759 -0.363 1.00 0.00 C ATOM 1333 C LYS A 80 8.205 4.664 -1.243 1.00 0.00 C ATOM 1334 O LYS A 80 8.940 3.862 -1.824 1.00 0.00 O ATOM 1335 CB LYS A 80 8.678 7.096 -1.099 1.00 0.00 C ATOM 1336 CG LYS A 80 8.279 8.258 -0.205 1.00 0.00 C ATOM 1337 CD LYS A 80 8.325 9.581 -0.953 1.00 0.00 C ATOM 1338 CE LYS A 80 9.725 9.891 -1.459 1.00 0.00 C ATOM 1339 NZ LYS A 80 9.782 11.191 -2.178 1.00 0.00 N ATOM 0 H LYS A 80 10.694 4.933 -0.642 1.00 0.00 H new ATOM 0 HA LYS A 80 8.197 5.800 0.558 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.639 7.319 -1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.950 7.003 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.273 8.092 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.947 8.302 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.633 9.548 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.990 10.383 -0.295 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.418 9.911 -0.618 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.055 9.094 -2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.754 11.364 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.140 11.164 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.492 11.956 -1.536 1.00 0.00 H new ATOM 1353 N MET A 81 6.879 4.638 -1.327 1.00 0.00 N ATOM 1354 CA MET A 81 6.181 3.755 -2.245 1.00 0.00 C ATOM 1355 C MET A 81 6.534 4.135 -3.671 1.00 0.00 C ATOM 1356 O MET A 81 6.027 5.131 -4.189 1.00 0.00 O ATOM 1357 CB MET A 81 4.659 3.872 -2.081 1.00 0.00 C ATOM 1358 CG MET A 81 4.124 3.519 -0.705 1.00 0.00 C ATOM 1359 SD MET A 81 2.396 4.004 -0.510 1.00 0.00 S ATOM 1360 CE MET A 81 2.493 5.761 -0.864 1.00 0.00 C ATOM 0 H MET A 81 6.264 5.225 -0.763 1.00 0.00 H new ATOM 0 HA MET A 81 6.486 2.732 -2.025 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.363 4.894 -2.316 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.180 3.224 -2.816 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.220 2.446 -0.542 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.728 4.012 0.057 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.676 6.279 -0.362 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.445 6.152 -0.505 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.417 5.920 -1.940 1.00 0.00 H new ATOM 1370 N VAL A 82 7.429 3.379 -4.290 1.00 0.00 N ATOM 1371 CA VAL A 82 7.740 3.581 -5.703 1.00 0.00 C ATOM 1372 C VAL A 82 6.471 3.491 -6.545 1.00 0.00 C ATOM 1373 O VAL A 82 6.363 4.114 -7.599 1.00 0.00 O ATOM 1374 CB VAL A 82 8.761 2.549 -6.227 1.00 0.00 C ATOM 1375 CG1 VAL A 82 8.139 1.163 -6.357 1.00 0.00 C ATOM 1376 CG2 VAL A 82 9.351 3.002 -7.553 1.00 0.00 C ATOM 0 H VAL A 82 7.951 2.625 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 82 8.180 4.575 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 82 9.567 2.481 -5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.887 0.462 -6.728 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.783 0.831 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.302 1.204 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.068 2.260 -7.905 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.553 3.112 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.855 3.959 -7.419 1.00 0.00 H new ATOM 1386 N GLY A 83 5.514 2.715 -6.059 1.00 0.00 N ATOM 1387 CA GLY A 83 4.287 2.530 -6.774 1.00 0.00 C ATOM 1388 C GLY A 83 3.117 2.306 -5.852 1.00 0.00 C ATOM 1389 O GLY A 83 3.270 2.246 -4.633 1.00 0.00 O ATOM 0 H GLY A 83 5.575 2.210 -5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.095 3.405 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.386 1.678 -7.446 1.00 0.00 H new ATOM 1393 N ARG A 84 1.955 2.183 -6.450 1.00 0.00 N ATOM 1394 CA ARG A 84 0.701 1.982 -5.738 1.00 0.00 C ATOM 1395 C ARG A 84 -0.384 1.818 -6.779 1.00 0.00 C ATOM 1396 O ARG A 84 -1.489 2.341 -6.667 1.00 0.00 O ATOM 1397 CB ARG A 84 0.390 3.158 -4.811 1.00 0.00 C ATOM 1398 CG ARG A 84 0.471 4.507 -5.494 1.00 0.00 C ATOM 1399 CD ARG A 84 1.695 5.287 -5.043 1.00 0.00 C ATOM 1400 NE ARG A 84 1.744 6.613 -5.648 1.00 0.00 N ATOM 1401 CZ ARG A 84 2.839 7.365 -5.726 1.00 0.00 C ATOM 1402 NH1 ARG A 84 3.997 6.911 -5.261 1.00 0.00 N ATOM 1403 NH2 ARG A 84 2.773 8.567 -6.281 1.00 0.00 N ATOM 0 H ARG A 84 1.846 2.220 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 84 0.767 1.097 -5.105 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.610 3.029 -4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.086 3.142 -3.972 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.505 4.367 -6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.429 5.082 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.686 5.383 -3.957 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.596 4.734 -5.306 1.00 0.00 H new ATOM 0 HE ARG A 84 0.880 6.990 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.050 5.983 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.834 7.491 -5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.885 8.912 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.610 9.147 -6.343 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.028 1.060 -7.790 1.00 0.00 N ATOM 1418 CA LYS A 85 -0.836 0.904 -8.976 1.00 0.00 C ATOM 1419 C LYS A 85 -1.897 -0.150 -8.741 1.00 0.00 C ATOM 1420 O LYS A 85 -1.580 -1.291 -8.415 1.00 0.00 O ATOM 1421 CB LYS A 85 0.063 0.525 -10.154 1.00 0.00 C ATOM 1422 CG LYS A 85 0.923 1.670 -10.658 1.00 0.00 C ATOM 1423 CD LYS A 85 0.102 2.755 -11.316 1.00 0.00 C ATOM 1424 CE LYS A 85 0.991 3.881 -11.814 1.00 0.00 C ATOM 1425 NZ LYS A 85 0.255 4.816 -12.705 1.00 0.00 N ATOM 0 H LYS A 85 0.842 0.528 -7.812 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.338 1.843 -9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.710 -0.300 -9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.559 0.162 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.483 2.095 -9.825 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.653 1.287 -11.371 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.461 2.335 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.625 3.148 -10.605 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.392 4.431 -10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 85 1.842 3.461 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.897 5.570 -13.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.106 4.297 -13.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.542 5.236 -12.185 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.150 0.249 -8.875 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.260 -0.646 -8.616 1.00 0.00 C ATOM 1441 C CYS A 86 -4.278 -1.781 -9.627 1.00 0.00 C ATOM 1442 O CYS A 86 -3.850 -2.897 -9.327 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.584 0.121 -8.636 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.594 1.632 -7.611 1.00 0.00 S ATOM 0 H CYS A 86 -3.423 1.189 -9.162 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.131 -1.077 -7.623 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -5.817 0.393 -9.665 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.379 -0.541 -8.294 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.776 -1.482 -10.818 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.779 -2.437 -11.917 1.00 0.00 C ATOM 1451 C ARG A 87 -5.695 -3.596 -11.570 1.00 0.00 C ATOM 1452 O ARG A 87 -5.256 -4.734 -11.388 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.357 -2.929 -12.221 1.00 0.00 C ATOM 1454 CG ARG A 87 -2.429 -1.837 -12.722 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.008 -2.348 -12.889 1.00 0.00 C ATOM 1456 NE ARG A 87 -0.105 -1.317 -13.404 1.00 0.00 N ATOM 1457 CZ ARG A 87 1.225 -1.414 -13.387 1.00 0.00 C ATOM 1458 NH1 ARG A 87 1.807 -2.487 -12.862 1.00 0.00 N ATOM 1459 NH2 ARG A 87 1.975 -0.447 -13.902 1.00 0.00 N ATOM 0 H ARG A 87 -5.187 -0.577 -11.049 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.151 -1.946 -12.817 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.933 -3.368 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.408 -3.722 -12.968 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.795 -1.457 -13.676 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.437 -1.002 -12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.637 -2.706 -11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.008 -3.200 -13.568 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.518 -0.473 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.236 -3.237 -12.472 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.824 -2.561 -12.849 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.534 0.376 -14.314 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.992 -0.527 -13.886 1.00 0.00 H new ATOM 1473 N LYS A 88 -6.973 -3.278 -11.453 1.00 0.00 N ATOM 1474 CA LYS A 88 -7.965 -4.241 -11.021 1.00 0.00 C ATOM 1475 C LYS A 88 -8.182 -5.301 -12.089 1.00 0.00 C ATOM 1476 O LYS A 88 -7.856 -6.470 -11.891 1.00 0.00 O ATOM 1477 CB LYS A 88 -9.281 -3.529 -10.715 1.00 0.00 C ATOM 1478 CG LYS A 88 -10.337 -4.434 -10.119 1.00 0.00 C ATOM 1479 CD LYS A 88 -11.729 -3.862 -10.306 1.00 0.00 C ATOM 1480 CE LYS A 88 -12.798 -4.824 -9.817 1.00 0.00 C ATOM 1481 NZ LYS A 88 -14.159 -4.245 -9.949 1.00 0.00 N ATOM 0 H LYS A 88 -7.348 -2.351 -11.654 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.604 -4.731 -10.117 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.088 -2.707 -10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -9.668 -3.089 -11.634 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.281 -5.417 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -10.140 -4.574 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -11.812 -2.919 -9.765 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -11.893 -3.640 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.740 -5.752 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.610 -5.078 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.868 -4.970 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.259 -3.442 -9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.304 -3.917 -10.925 1.00 0.00 H new ATOM 1495 N ASP A 89 -8.725 -4.886 -13.224 1.00 0.00 N ATOM 1496 CA ASP A 89 -9.007 -5.809 -14.309 1.00 0.00 C ATOM 1497 C ASP A 89 -8.269 -5.395 -15.573 1.00 0.00 C ATOM 1498 O ASP A 89 -8.662 -4.439 -16.241 1.00 0.00 O ATOM 1499 CB ASP A 89 -10.511 -5.872 -14.586 1.00 0.00 C ATOM 1500 CG ASP A 89 -10.871 -6.968 -15.569 1.00 0.00 C ATOM 1501 OD1 ASP A 89 -10.895 -8.145 -15.153 1.00 0.00 O ATOM 1502 OD2 ASP A 89 -11.143 -6.663 -16.751 1.00 0.00 O ATOM 0 H ASP A 89 -8.978 -3.917 -13.416 1.00 0.00 H new ATOM 0 HA ASP A 89 -8.661 -6.798 -14.007 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -11.044 -6.038 -13.650 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -10.846 -4.912 -14.978 1.00 0.00 H new ATOM 1507 N ASP A 90 -7.182 -6.104 -15.862 1.00 0.00 N ATOM 1508 CA ASP A 90 -6.407 -5.923 -17.090 1.00 0.00 C ATOM 1509 C ASP A 90 -5.138 -6.761 -17.035 1.00 0.00 C ATOM 1510 O ASP A 90 -5.098 -7.874 -17.560 1.00 0.00 O ATOM 1511 CB ASP A 90 -6.032 -4.456 -17.337 1.00 0.00 C ATOM 1512 CG ASP A 90 -5.260 -4.276 -18.628 1.00 0.00 C ATOM 1513 OD1 ASP A 90 -5.836 -4.516 -19.711 1.00 0.00 O ATOM 1514 OD2 ASP A 90 -4.073 -3.892 -18.572 1.00 0.00 O ATOM 0 H ASP A 90 -6.809 -6.827 -15.247 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.041 -6.248 -17.915 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -6.938 -3.851 -17.369 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.434 -4.090 -16.503 1.00 0.00 H new ATOM 1519 N ASP A 91 -4.115 -6.221 -16.382 1.00 0.00 N ATOM 1520 CA ASP A 91 -2.829 -6.890 -16.231 1.00 0.00 C ATOM 1521 C ASP A 91 -1.900 -5.989 -15.427 1.00 0.00 C ATOM 1522 O ASP A 91 -2.193 -4.805 -15.247 1.00 0.00 O ATOM 1523 CB ASP A 91 -2.216 -7.191 -17.601 1.00 0.00 C ATOM 1524 CG ASP A 91 -0.999 -8.089 -17.520 1.00 0.00 C ATOM 1525 OD1 ASP A 91 -1.171 -9.326 -17.450 1.00 0.00 O ATOM 1526 OD2 ASP A 91 0.131 -7.569 -17.535 1.00 0.00 O ATOM 0 H ASP A 91 -4.155 -5.302 -15.941 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.971 -7.836 -15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.968 -7.663 -18.234 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.938 -6.253 -18.082 1.00 0.00 H new ATOM 1531 N ASP A 92 -0.795 -6.530 -14.941 1.00 0.00 N ATOM 1532 CA ASP A 92 0.137 -5.747 -14.146 1.00 0.00 C ATOM 1533 C ASP A 92 1.558 -5.857 -14.688 1.00 0.00 C ATOM 1534 O ASP A 92 2.115 -6.949 -14.811 1.00 0.00 O ATOM 1535 CB ASP A 92 0.090 -6.170 -12.670 1.00 0.00 C ATOM 1536 CG ASP A 92 0.551 -7.598 -12.433 1.00 0.00 C ATOM 1537 OD1 ASP A 92 -0.105 -8.532 -12.941 1.00 0.00 O ATOM 1538 OD2 ASP A 92 1.553 -7.796 -11.715 1.00 0.00 O ATOM 0 H ASP A 92 -0.522 -7.503 -15.082 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.170 -4.703 -14.215 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.715 -5.494 -12.087 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -0.930 -6.060 -12.301 1.00 0.00 H new ATOM 1543 N ASP A 93 2.121 -4.709 -15.041 1.00 0.00 N ATOM 1544 CA ASP A 93 3.520 -4.622 -15.448 1.00 0.00 C ATOM 1545 C ASP A 93 4.415 -4.780 -14.227 1.00 0.00 C ATOM 1546 O ASP A 93 3.969 -4.542 -13.103 1.00 0.00 O ATOM 1547 CB ASP A 93 3.785 -3.266 -16.122 1.00 0.00 C ATOM 1548 CG ASP A 93 5.246 -3.054 -16.481 1.00 0.00 C ATOM 1549 OD1 ASP A 93 5.757 -3.764 -17.368 1.00 0.00 O ATOM 1550 OD2 ASP A 93 5.891 -2.170 -15.875 1.00 0.00 O ATOM 0 H ASP A 93 1.626 -3.817 -15.054 1.00 0.00 H new ATOM 0 HA ASP A 93 3.739 -5.418 -16.160 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.181 -3.192 -17.026 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.461 -2.466 -15.456 1.00 0.00 H new ATOM 1555 N ASP A 94 5.666 -5.186 -14.442 1.00 0.00 N ATOM 1556 CA ASP A 94 6.629 -5.308 -13.348 1.00 0.00 C ATOM 1557 C ASP A 94 6.698 -4.011 -12.560 1.00 0.00 C ATOM 1558 O ASP A 94 6.666 -4.017 -11.334 1.00 0.00 O ATOM 1559 CB ASP A 94 8.031 -5.641 -13.869 1.00 0.00 C ATOM 1560 CG ASP A 94 8.155 -7.046 -14.416 1.00 0.00 C ATOM 1561 OD1 ASP A 94 7.964 -7.228 -15.636 1.00 0.00 O ATOM 1562 OD2 ASP A 94 8.475 -7.967 -13.636 1.00 0.00 O ATOM 0 H ASP A 94 6.035 -5.435 -15.360 1.00 0.00 H new ATOM 0 HA ASP A 94 6.288 -6.120 -12.706 1.00 0.00 H new ATOM 0 HB2 ASP A 94 8.297 -4.930 -14.652 1.00 0.00 H new ATOM 0 HB3 ASP A 94 8.751 -5.510 -13.061 1.00 0.00 H new ATOM 1567 N GLY A 95 6.771 -2.900 -13.276 1.00 0.00 N ATOM 1568 CA GLY A 95 6.873 -1.610 -12.636 1.00 0.00 C ATOM 1569 C GLY A 95 5.515 -1.023 -12.332 1.00 0.00 C ATOM 1570 O GLY A 95 4.570 -1.177 -13.110 1.00 0.00 O ATOM 0 H GLY A 95 6.761 -2.871 -14.296 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.442 -1.708 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.427 -0.928 -13.281 1.00 0.00 H new ATOM 1574 N TYR A 96 5.404 -0.369 -11.189 1.00 0.00 N ATOM 1575 CA TYR A 96 4.166 0.282 -10.804 1.00 0.00 C ATOM 1576 C TYR A 96 4.394 1.781 -10.726 1.00 0.00 C ATOM 1577 O TYR A 96 4.958 2.238 -9.716 1.00 0.00 O ATOM 1578 CB TYR A 96 3.657 -0.248 -9.457 1.00 0.00 C ATOM 1579 CG TYR A 96 3.019 -1.624 -9.514 1.00 0.00 C ATOM 1580 CD1 TYR A 96 1.763 -1.847 -8.962 1.00 0.00 C ATOM 1581 CD2 TYR A 96 3.663 -2.693 -10.121 1.00 0.00 C ATOM 1582 CE1 TYR A 96 1.168 -3.092 -9.012 1.00 0.00 C ATOM 1583 CE2 TYR A 96 3.078 -3.940 -10.175 1.00 0.00 C ATOM 1584 CZ TYR A 96 1.832 -4.137 -9.622 1.00 0.00 C ATOM 1585 OH TYR A 96 1.252 -5.381 -9.686 1.00 0.00 O ATOM 1586 OXT TYR A 96 4.026 2.489 -11.683 1.00 0.00 O ATOM 0 H TYR A 96 6.159 -0.275 -10.510 1.00 0.00 H new ATOM 0 HA TYR A 96 3.406 0.064 -11.555 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.491 -0.279 -8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.930 0.458 -9.056 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.242 -1.030 -8.484 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.639 -2.545 -10.559 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.191 -3.247 -8.578 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.595 -4.761 -10.650 1.00 0.00 H new ATOM 0 HH TYR A 96 1.784 -5.960 -10.270 1.00 0.00 H new TER 1596 TYR A 96