USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 495 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 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.57) USER MOD Set 2.1: A 19 GLN : amide:sc= -0.418 X(o=-3,f=-3.3) USER MOD Set 2.2: A 20 ASN : amide:sc= -2.56 K(o=-3,f=-7.4!) USER MOD Set 3.1: A 13 MET CE :methyl 174:sc= 0 (180deg=-0.00534) USER MOD Set 3.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=0.000645 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc=-0.00887 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot -151:sc= 1.31 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.208 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00209 USER MOD Single : A 59 ASN :FLIP amide:sc= -0.102 F(o=-0.89,f=-0.1) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.367 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.293 -9.774 23.274 1.00 0.00 N ATOM 2 CA GLY A 1 -11.091 -8.717 22.301 1.00 0.00 C ATOM 3 C GLY A 1 -10.580 -9.241 20.974 1.00 0.00 C ATOM 4 O GLY A 1 -9.476 -8.900 20.548 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.643 -9.365 24.164 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.990 -10.454 22.908 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.391 -10.262 23.448 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.031 -8.189 22.142 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.382 -7.991 22.699 1.00 0.00 H new ATOM 8 N SER A 2 -11.383 -10.073 20.318 1.00 0.00 N ATOM 9 CA SER A 2 -11.003 -10.649 19.034 1.00 0.00 C ATOM 10 C SER A 2 -10.369 -9.595 18.132 1.00 0.00 C ATOM 11 O SER A 2 -10.837 -8.459 18.062 1.00 0.00 O ATOM 12 CB SER A 2 -12.224 -11.260 18.344 1.00 0.00 C ATOM 13 OG SER A 2 -12.915 -12.140 19.214 1.00 0.00 O ATOM 0 H SER A 2 -12.301 -10.363 20.655 1.00 0.00 H new ATOM 0 HA SER A 2 -10.269 -11.433 19.218 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.895 -10.466 18.016 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.909 -11.800 17.451 1.00 0.00 H new ATOM 0 HG SER A 2 -13.692 -12.516 18.750 1.00 0.00 H new ATOM 19 N SER A 3 -9.300 -9.981 17.443 1.00 0.00 N ATOM 20 CA SER A 3 -8.597 -9.069 16.547 1.00 0.00 C ATOM 21 C SER A 3 -9.226 -9.081 15.157 1.00 0.00 C ATOM 22 O SER A 3 -8.700 -9.698 14.231 1.00 0.00 O ATOM 23 CB SER A 3 -7.118 -9.450 16.454 1.00 0.00 C ATOM 24 OG SER A 3 -6.378 -8.454 15.770 1.00 0.00 O ATOM 0 H SER A 3 -8.901 -10.919 17.488 1.00 0.00 H new ATOM 0 HA SER A 3 -8.680 -8.062 16.955 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.711 -9.587 17.456 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.017 -10.403 15.936 1.00 0.00 H new ATOM 0 HG SER A 3 -5.436 -8.720 15.725 1.00 0.00 H new ATOM 30 N GLY A 4 -10.356 -8.395 15.019 1.00 0.00 N ATOM 31 CA GLY A 4 -11.039 -8.339 13.740 1.00 0.00 C ATOM 32 C GLY A 4 -10.411 -7.338 12.791 1.00 0.00 C ATOM 33 O GLY A 4 -9.931 -6.287 13.215 1.00 0.00 O ATOM 0 H GLY A 4 -10.811 -7.877 15.771 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.026 -9.328 13.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.084 -8.076 13.901 1.00 0.00 H new ATOM 37 N SER A 5 -10.413 -7.665 11.502 1.00 0.00 N ATOM 38 CA SER A 5 -9.835 -6.788 10.490 1.00 0.00 C ATOM 39 C SER A 5 -10.601 -6.896 9.176 1.00 0.00 C ATOM 40 O SER A 5 -10.901 -7.994 8.707 1.00 0.00 O ATOM 41 CB SER A 5 -8.362 -7.137 10.266 1.00 0.00 C ATOM 42 OG SER A 5 -7.640 -7.112 11.485 1.00 0.00 O ATOM 0 H SER A 5 -10.808 -8.530 11.134 1.00 0.00 H new ATOM 0 HA SER A 5 -9.908 -5.761 10.848 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.284 -8.126 9.814 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.920 -6.430 9.564 1.00 0.00 H new ATOM 0 HG SER A 5 -6.702 -7.340 11.315 1.00 0.00 H new ATOM 48 N SER A 6 -10.915 -5.747 8.585 1.00 0.00 N ATOM 49 CA SER A 6 -11.650 -5.711 7.326 1.00 0.00 C ATOM 50 C SER A 6 -10.693 -5.710 6.138 1.00 0.00 C ATOM 51 O SER A 6 -10.774 -6.568 5.260 1.00 0.00 O ATOM 52 CB SER A 6 -12.549 -4.475 7.272 1.00 0.00 C ATOM 53 OG SER A 6 -13.386 -4.402 8.413 1.00 0.00 O ATOM 0 H SER A 6 -10.672 -4.829 8.958 1.00 0.00 H new ATOM 0 HA SER A 6 -12.270 -6.606 7.270 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.934 -3.577 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.160 -4.505 6.370 1.00 0.00 H new ATOM 0 HG SER A 6 -13.949 -3.602 8.355 1.00 0.00 H new ATOM 59 N GLY A 7 -9.784 -4.739 6.119 1.00 0.00 N ATOM 60 CA GLY A 7 -8.824 -4.643 5.035 1.00 0.00 C ATOM 61 C GLY A 7 -7.872 -5.822 4.998 1.00 0.00 C ATOM 62 O GLY A 7 -7.610 -6.452 6.024 1.00 0.00 O ATOM 0 H GLY A 7 -9.696 -4.018 6.835 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.357 -4.580 4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.252 -3.721 5.141 1.00 0.00 H new ATOM 66 N THR A 8 -7.352 -6.125 3.812 1.00 0.00 N ATOM 67 CA THR A 8 -6.426 -7.238 3.645 1.00 0.00 C ATOM 68 C THR A 8 -5.000 -6.822 3.985 1.00 0.00 C ATOM 69 O THR A 8 -4.546 -5.731 3.639 1.00 0.00 O ATOM 70 CB THR A 8 -6.460 -7.785 2.205 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.766 -8.286 1.902 1.00 0.00 O ATOM 72 CG2 THR A 8 -5.432 -8.891 2.023 1.00 0.00 C ATOM 0 H THR A 8 -7.557 -5.615 2.953 1.00 0.00 H new ATOM 0 HA THR A 8 -6.746 -8.022 4.331 1.00 0.00 H new ATOM 0 HB THR A 8 -6.218 -6.969 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.780 -8.630 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.474 -9.262 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.436 -8.499 2.226 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.649 -9.706 2.713 1.00 0.00 H new ATOM 80 N PRO A 9 -4.273 -7.710 4.680 1.00 0.00 N ATOM 81 CA PRO A 9 -2.886 -7.458 5.081 1.00 0.00 C ATOM 82 C PRO A 9 -1.930 -7.456 3.893 1.00 0.00 C ATOM 83 O PRO A 9 -2.102 -8.223 2.945 1.00 0.00 O ATOM 84 CB PRO A 9 -2.570 -8.624 6.020 1.00 0.00 C ATOM 85 CG PRO A 9 -3.495 -9.713 5.596 1.00 0.00 C ATOM 86 CD PRO A 9 -4.750 -9.030 5.125 1.00 0.00 C ATOM 0 HA PRO A 9 -2.767 -6.478 5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.528 -8.932 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.734 -8.349 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.054 -10.312 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.706 -10.390 6.424 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.226 -9.580 4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.485 -8.943 5.925 1.00 0.00 H new ATOM 94 N TYR A 10 -0.923 -6.592 3.951 1.00 0.00 N ATOM 95 CA TYR A 10 0.060 -6.490 2.878 1.00 0.00 C ATOM 96 C TYR A 10 1.451 -6.210 3.439 1.00 0.00 C ATOM 97 O TYR A 10 1.624 -6.043 4.646 1.00 0.00 O ATOM 98 CB TYR A 10 -0.339 -5.387 1.896 1.00 0.00 C ATOM 99 CG TYR A 10 -1.214 -5.873 0.763 1.00 0.00 C ATOM 100 CD1 TYR A 10 -2.546 -6.204 0.981 1.00 0.00 C ATOM 101 CD2 TYR A 10 -0.709 -6.002 -0.525 1.00 0.00 C ATOM 102 CE1 TYR A 10 -3.349 -6.648 -0.052 1.00 0.00 C ATOM 103 CE2 TYR A 10 -1.505 -6.444 -1.563 1.00 0.00 C ATOM 104 CZ TYR A 10 -2.825 -6.766 -1.322 1.00 0.00 C ATOM 105 OH TYR A 10 -3.621 -7.209 -2.353 1.00 0.00 O ATOM 0 H TYR A 10 -0.766 -5.952 4.729 1.00 0.00 H new ATOM 0 HA TYR A 10 0.086 -7.444 2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.865 -4.602 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.563 -4.938 1.480 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.960 -6.113 1.974 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.324 -5.752 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -4.382 -6.901 0.134 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.097 -6.537 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 10 -3.099 -7.234 -3.182 1.00 0.00 H new ATOM 115 N ARG A 11 2.439 -6.159 2.552 1.00 0.00 N ATOM 116 CA ARG A 11 3.816 -5.899 2.957 1.00 0.00 C ATOM 117 C ARG A 11 4.552 -5.092 1.891 1.00 0.00 C ATOM 118 O ARG A 11 4.526 -5.435 0.710 1.00 0.00 O ATOM 119 CB ARG A 11 4.551 -7.215 3.214 1.00 0.00 C ATOM 120 CG ARG A 11 6.056 -7.055 3.351 1.00 0.00 C ATOM 121 CD ARG A 11 6.648 -8.116 4.266 1.00 0.00 C ATOM 122 NE ARG A 11 8.054 -8.375 3.965 1.00 0.00 N ATOM 123 CZ ARG A 11 8.718 -9.435 4.414 1.00 0.00 C ATOM 124 NH1 ARG A 11 8.107 -10.329 5.178 1.00 0.00 N ATOM 125 NH2 ARG A 11 9.995 -9.602 4.097 1.00 0.00 N ATOM 0 H ARG A 11 2.312 -6.294 1.549 1.00 0.00 H new ATOM 0 HA ARG A 11 3.794 -5.317 3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.158 -7.669 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.340 -7.905 2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.521 -7.121 2.367 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.283 -6.065 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.552 -7.795 5.303 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.079 -9.040 4.165 1.00 0.00 H new ATOM 0 HE ARG A 11 8.553 -7.706 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 11 7.125 -10.204 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 11 8.619 -11.142 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.468 -8.917 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.504 -10.416 4.442 1.00 0.00 H new ATOM 139 N ALA A 12 5.209 -4.018 2.318 1.00 0.00 N ATOM 140 CA ALA A 12 5.953 -3.164 1.402 1.00 0.00 C ATOM 141 C ALA A 12 7.267 -3.818 0.986 1.00 0.00 C ATOM 142 O ALA A 12 8.224 -3.856 1.759 1.00 0.00 O ATOM 143 CB ALA A 12 6.216 -1.808 2.040 1.00 0.00 C ATOM 0 H ALA A 12 5.241 -3.719 3.293 1.00 0.00 H new ATOM 0 HA ALA A 12 5.348 -3.021 0.506 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.773 -1.180 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.267 -1.329 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.797 -1.942 2.953 1.00 0.00 H new ATOM 149 N MET A 13 7.304 -4.332 -0.239 1.00 0.00 N ATOM 150 CA MET A 13 8.501 -4.985 -0.756 1.00 0.00 C ATOM 151 C MET A 13 9.663 -4.000 -0.844 1.00 0.00 C ATOM 152 O MET A 13 10.828 -4.391 -0.771 1.00 0.00 O ATOM 153 CB MET A 13 8.224 -5.588 -2.135 1.00 0.00 C ATOM 154 CG MET A 13 7.039 -6.540 -2.155 1.00 0.00 C ATOM 155 SD MET A 13 7.166 -7.781 -3.456 1.00 0.00 S ATOM 156 CE MET A 13 6.653 -6.828 -4.884 1.00 0.00 C ATOM 0 H MET A 13 6.520 -4.309 -0.891 1.00 0.00 H new ATOM 0 HA MET A 13 8.775 -5.783 -0.066 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.044 -4.781 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.113 -6.120 -2.475 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.963 -7.039 -1.189 1.00 0.00 H new ATOM 0 HG3 MET A 13 6.121 -5.968 -2.292 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.780 -7.427 -5.786 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.604 -6.550 -4.778 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.262 -5.927 -4.958 1.00 0.00 H new ATOM 166 N TYR A 14 9.338 -2.721 -1.000 1.00 0.00 N ATOM 167 CA TYR A 14 10.354 -1.681 -1.100 1.00 0.00 C ATOM 168 C TYR A 14 9.836 -0.358 -0.545 1.00 0.00 C ATOM 169 O TYR A 14 8.667 -0.015 -0.720 1.00 0.00 O ATOM 170 CB TYR A 14 10.789 -1.501 -2.556 1.00 0.00 C ATOM 171 CG TYR A 14 10.722 -2.774 -3.369 1.00 0.00 C ATOM 172 CD1 TYR A 14 11.719 -3.737 -3.271 1.00 0.00 C ATOM 173 CD2 TYR A 14 9.663 -3.014 -4.236 1.00 0.00 C ATOM 174 CE1 TYR A 14 11.663 -4.901 -4.013 1.00 0.00 C ATOM 175 CE2 TYR A 14 9.599 -4.176 -4.981 1.00 0.00 C ATOM 176 CZ TYR A 14 10.601 -5.116 -4.866 1.00 0.00 C ATOM 177 OH TYR A 14 10.541 -6.275 -5.606 1.00 0.00 O ATOM 0 H TYR A 14 8.378 -2.380 -1.060 1.00 0.00 H new ATOM 0 HA TYR A 14 11.214 -1.991 -0.507 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.157 -0.747 -3.025 1.00 0.00 H new ATOM 0 HB3 TYR A 14 11.810 -1.120 -2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 14 12.552 -3.573 -2.603 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.876 -2.280 -4.329 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.447 -5.639 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.768 -4.347 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 14 9.729 -6.271 -6.155 1.00 0.00 H new ATOM 187 N GLN A 15 10.716 0.381 0.124 1.00 0.00 N ATOM 188 CA GLN A 15 10.348 1.666 0.705 1.00 0.00 C ATOM 189 C GLN A 15 9.905 2.646 -0.377 1.00 0.00 C ATOM 190 O GLN A 15 10.469 2.675 -1.471 1.00 0.00 O ATOM 191 CB GLN A 15 11.524 2.251 1.488 1.00 0.00 C ATOM 192 CG GLN A 15 11.193 3.551 2.204 1.00 0.00 C ATOM 193 CD GLN A 15 12.415 4.212 2.809 1.00 0.00 C ATOM 194 OE1 GLN A 15 12.975 3.727 3.793 1.00 0.00 O ATOM 195 NE2 GLN A 15 12.837 5.326 2.222 1.00 0.00 N ATOM 0 H GLN A 15 11.688 0.112 0.277 1.00 0.00 H new ATOM 0 HA GLN A 15 9.513 1.502 1.386 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.862 1.518 2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.355 2.424 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.723 4.239 1.501 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.465 3.353 2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.343 5.693 1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.655 5.815 2.585 1.00 0.00 H new ATOM 204 N TYR A 16 8.892 3.446 -0.065 1.00 0.00 N ATOM 205 CA TYR A 16 8.372 4.426 -1.011 1.00 0.00 C ATOM 206 C TYR A 16 8.608 5.847 -0.510 1.00 0.00 C ATOM 207 O TYR A 16 8.687 6.087 0.695 1.00 0.00 O ATOM 208 CB TYR A 16 6.877 4.197 -1.244 1.00 0.00 C ATOM 209 CG TYR A 16 6.292 5.072 -2.329 1.00 0.00 C ATOM 210 CD1 TYR A 16 6.638 4.884 -3.662 1.00 0.00 C ATOM 211 CD2 TYR A 16 5.393 6.086 -2.022 1.00 0.00 C ATOM 212 CE1 TYR A 16 6.107 5.682 -4.657 1.00 0.00 C ATOM 213 CE2 TYR A 16 4.855 6.887 -3.011 1.00 0.00 C ATOM 214 CZ TYR A 16 5.216 6.682 -4.326 1.00 0.00 C ATOM 215 OH TYR A 16 4.683 7.478 -5.315 1.00 0.00 O ATOM 0 H TYR A 16 8.414 3.435 0.836 1.00 0.00 H new ATOM 0 HA TYR A 16 8.904 4.300 -1.954 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.715 3.151 -1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.341 4.380 -0.313 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.334 4.101 -3.924 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.110 6.251 -0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.388 5.524 -5.688 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.156 7.669 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 16 4.473 8.362 -4.946 1.00 0.00 H new ATOM 225 N ARG A 17 8.720 6.786 -1.444 1.00 0.00 N ATOM 226 CA ARG A 17 8.948 8.184 -1.099 1.00 0.00 C ATOM 227 C ARG A 17 7.856 9.074 -1.686 1.00 0.00 C ATOM 228 O ARG A 17 7.973 9.591 -2.797 1.00 0.00 O ATOM 229 CB ARG A 17 10.318 8.639 -1.605 1.00 0.00 C ATOM 230 CG ARG A 17 11.480 8.099 -0.786 1.00 0.00 C ATOM 231 CD ARG A 17 12.749 8.901 -1.023 1.00 0.00 C ATOM 232 NE ARG A 17 13.898 8.325 -0.330 1.00 0.00 N ATOM 233 CZ ARG A 17 14.043 8.339 0.990 1.00 0.00 C ATOM 234 NH1 ARG A 17 13.116 8.897 1.756 1.00 0.00 N ATOM 235 NH2 ARG A 17 15.117 7.795 1.547 1.00 0.00 N ATOM 0 H ARG A 17 8.657 6.604 -2.446 1.00 0.00 H new ATOM 0 HA ARG A 17 8.921 8.273 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.437 8.322 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.355 9.728 -1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.224 8.126 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 17 11.655 7.055 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.955 8.945 -2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.598 9.926 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 17 14.629 7.888 -0.891 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.289 9.317 1.332 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.230 8.906 2.770 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.833 7.365 0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.227 7.807 2.561 1.00 0.00 H new ATOM 249 N PRO A 18 6.768 9.257 -0.923 1.00 0.00 N ATOM 250 CA PRO A 18 5.634 10.084 -1.347 1.00 0.00 C ATOM 251 C PRO A 18 5.981 11.568 -1.381 1.00 0.00 C ATOM 252 O PRO A 18 6.423 12.134 -0.381 1.00 0.00 O ATOM 253 CB PRO A 18 4.574 9.806 -0.278 1.00 0.00 C ATOM 254 CG PRO A 18 5.349 9.396 0.926 1.00 0.00 C ATOM 255 CD PRO A 18 6.561 8.671 0.412 1.00 0.00 C ATOM 0 HA PRO A 18 5.310 9.845 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.971 10.692 -0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.889 9.019 -0.595 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.636 10.264 1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.754 8.751 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.426 8.826 1.057 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.393 7.595 0.357 1.00 0.00 H new ATOM 263 N GLN A 19 5.776 12.193 -2.536 1.00 0.00 N ATOM 264 CA GLN A 19 6.068 13.612 -2.699 1.00 0.00 C ATOM 265 C GLN A 19 5.052 14.466 -1.946 1.00 0.00 C ATOM 266 O GLN A 19 5.373 15.554 -1.471 1.00 0.00 O ATOM 267 CB GLN A 19 6.068 13.988 -4.181 1.00 0.00 C ATOM 268 CG GLN A 19 4.693 13.924 -4.826 1.00 0.00 C ATOM 269 CD GLN A 19 4.739 14.155 -6.323 1.00 0.00 C ATOM 270 OE1 GLN A 19 5.813 14.222 -6.920 1.00 0.00 O ATOM 271 NE2 GLN A 19 3.569 14.279 -6.939 1.00 0.00 N ATOM 0 H GLN A 19 5.409 11.739 -3.372 1.00 0.00 H new ATOM 0 HA GLN A 19 7.057 13.804 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.465 14.997 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.743 13.320 -4.717 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.247 12.950 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.045 14.671 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.702 14.217 -6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.537 14.436 -7.946 1.00 0.00 H new ATOM 280 N ASN A 20 3.826 13.964 -1.842 1.00 0.00 N ATOM 281 CA ASN A 20 2.763 14.682 -1.148 1.00 0.00 C ATOM 282 C ASN A 20 2.139 13.812 -0.061 1.00 0.00 C ATOM 283 O ASN A 20 2.251 12.587 -0.093 1.00 0.00 O ATOM 284 CB ASN A 20 1.687 15.127 -2.141 1.00 0.00 C ATOM 285 CG ASN A 20 1.367 14.055 -3.165 1.00 0.00 C ATOM 286 OD1 ASN A 20 1.036 12.923 -2.813 1.00 0.00 O ATOM 287 ND2 ASN A 20 1.464 14.409 -4.441 1.00 0.00 N ATOM 0 H ASN A 20 3.544 13.063 -2.229 1.00 0.00 H new ATOM 0 HA ASN A 20 3.200 15.563 -0.678 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.780 15.388 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A 20 2.021 16.028 -2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.260 13.731 -5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.742 15.359 -4.687 1.00 0.00 H new ATOM 294 N GLU A 21 1.482 14.455 0.900 1.00 0.00 N ATOM 295 CA GLU A 21 0.841 13.739 1.996 1.00 0.00 C ATOM 296 C GLU A 21 -0.270 12.831 1.478 1.00 0.00 C ATOM 297 O GLU A 21 -0.695 11.900 2.161 1.00 0.00 O ATOM 298 CB GLU A 21 0.273 14.728 3.017 1.00 0.00 C ATOM 299 CG GLU A 21 -0.839 15.603 2.462 1.00 0.00 C ATOM 300 CD GLU A 21 -0.315 16.865 1.805 1.00 0.00 C ATOM 301 OE1 GLU A 21 -0.005 16.821 0.596 1.00 0.00 O ATOM 302 OE2 GLU A 21 -0.214 17.898 2.500 1.00 0.00 O ATOM 0 H GLU A 21 1.380 15.469 0.941 1.00 0.00 H new ATOM 0 HA GLU A 21 1.595 13.119 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.106 14.174 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.079 15.366 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.417 15.032 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.520 15.874 3.269 1.00 0.00 H new ATOM 309 N ASP A 22 -0.736 13.111 0.266 1.00 0.00 N ATOM 310 CA ASP A 22 -1.798 12.320 -0.346 1.00 0.00 C ATOM 311 C ASP A 22 -1.407 10.847 -0.415 1.00 0.00 C ATOM 312 O ASP A 22 -2.195 9.969 -0.065 1.00 0.00 O ATOM 313 CB ASP A 22 -2.110 12.844 -1.749 1.00 0.00 C ATOM 314 CG ASP A 22 -2.793 14.197 -1.722 1.00 0.00 C ATOM 315 OD1 ASP A 22 -3.653 14.410 -0.842 1.00 0.00 O ATOM 316 OD2 ASP A 22 -2.469 15.043 -2.582 1.00 0.00 O ATOM 0 H ASP A 22 -0.396 13.879 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.690 12.412 0.274 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.185 12.919 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.748 12.128 -2.268 1.00 0.00 H new ATOM 321 N GLU A 23 -0.186 10.585 -0.870 1.00 0.00 N ATOM 322 CA GLU A 23 0.308 9.217 -0.987 1.00 0.00 C ATOM 323 C GLU A 23 0.758 8.684 0.370 1.00 0.00 C ATOM 324 O GLU A 23 1.151 9.449 1.251 1.00 0.00 O ATOM 325 CB GLU A 23 1.467 9.154 -1.983 1.00 0.00 C ATOM 326 CG GLU A 23 1.120 9.701 -3.357 1.00 0.00 C ATOM 327 CD GLU A 23 2.171 9.371 -4.399 1.00 0.00 C ATOM 328 OE1 GLU A 23 3.370 9.365 -4.050 1.00 0.00 O ATOM 329 OE2 GLU A 23 1.795 9.119 -5.563 1.00 0.00 O ATOM 0 H GLU A 23 0.479 11.301 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.508 8.592 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.311 9.714 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.791 8.118 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.160 9.294 -3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.003 10.783 -3.294 1.00 0.00 H new ATOM 336 N LEU A 24 0.698 7.367 0.530 1.00 0.00 N ATOM 337 CA LEU A 24 1.099 6.729 1.780 1.00 0.00 C ATOM 338 C LEU A 24 2.542 6.240 1.703 1.00 0.00 C ATOM 339 O LEU A 24 2.905 5.488 0.799 1.00 0.00 O ATOM 340 CB LEU A 24 0.168 5.558 2.099 1.00 0.00 C ATOM 341 CG LEU A 24 -0.005 5.224 3.581 1.00 0.00 C ATOM 342 CD1 LEU A 24 -0.586 6.412 4.332 1.00 0.00 C ATOM 343 CD2 LEU A 24 -0.892 3.998 3.751 1.00 0.00 C ATOM 0 H LEU A 24 0.376 6.720 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 24 1.028 7.469 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.814 5.775 1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.544 4.671 1.589 1.00 0.00 H new ATOM 0 HG LEU A 24 0.976 5.000 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.702 6.155 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.086 7.265 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.559 6.668 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.004 3.775 4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.872 4.195 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.436 3.146 3.247 1.00 0.00 H new ATOM 355 N GLU A 25 3.359 6.672 2.659 1.00 0.00 N ATOM 356 CA GLU A 25 4.762 6.277 2.699 1.00 0.00 C ATOM 357 C GLU A 25 4.906 4.828 3.156 1.00 0.00 C ATOM 358 O GLU A 25 4.276 4.406 4.127 1.00 0.00 O ATOM 359 CB GLU A 25 5.548 7.199 3.634 1.00 0.00 C ATOM 360 CG GLU A 25 7.049 7.165 3.402 1.00 0.00 C ATOM 361 CD GLU A 25 7.791 8.199 4.226 1.00 0.00 C ATOM 362 OE1 GLU A 25 7.313 9.351 4.300 1.00 0.00 O ATOM 363 OE2 GLU A 25 8.848 7.858 4.796 1.00 0.00 O ATOM 0 H GLU A 25 3.074 7.295 3.415 1.00 0.00 H new ATOM 0 HA GLU A 25 5.167 6.364 1.691 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.192 8.221 3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.342 6.917 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.428 6.172 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.253 7.334 2.345 1.00 0.00 H new ATOM 370 N LEU A 26 5.739 4.071 2.450 1.00 0.00 N ATOM 371 CA LEU A 26 5.967 2.669 2.782 1.00 0.00 C ATOM 372 C LEU A 26 7.435 2.420 3.114 1.00 0.00 C ATOM 373 O LEU A 26 8.295 3.256 2.838 1.00 0.00 O ATOM 374 CB LEU A 26 5.536 1.773 1.620 1.00 0.00 C ATOM 375 CG LEU A 26 4.083 1.916 1.166 1.00 0.00 C ATOM 376 CD1 LEU A 26 3.893 1.309 -0.216 1.00 0.00 C ATOM 377 CD2 LEU A 26 3.144 1.264 2.170 1.00 0.00 C ATOM 0 H LEU A 26 6.268 4.405 1.644 1.00 0.00 H new ATOM 0 HA LEU A 26 5.369 2.427 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.184 1.980 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.706 0.735 1.905 1.00 0.00 H new ATOM 0 HG LEU A 26 3.843 2.978 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.853 1.420 -0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.538 1.821 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.152 0.251 -0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.114 1.375 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.384 0.204 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.260 1.744 3.142 1.00 0.00 H new ATOM 389 N ARG A 27 7.714 1.263 3.706 1.00 0.00 N ATOM 390 CA ARG A 27 9.077 0.903 4.075 1.00 0.00 C ATOM 391 C ARG A 27 9.345 -0.573 3.792 1.00 0.00 C ATOM 392 O ARG A 27 8.483 -1.423 4.013 1.00 0.00 O ATOM 393 CB ARG A 27 9.325 1.202 5.554 1.00 0.00 C ATOM 394 CG ARG A 27 10.615 0.603 6.090 1.00 0.00 C ATOM 395 CD ARG A 27 10.671 0.668 7.608 1.00 0.00 C ATOM 396 NE ARG A 27 11.897 0.077 8.136 1.00 0.00 N ATOM 397 CZ ARG A 27 13.093 0.646 8.029 1.00 0.00 C ATOM 398 NH1 ARG A 27 13.222 1.815 7.417 1.00 0.00 N ATOM 399 NH2 ARG A 27 14.163 0.045 8.536 1.00 0.00 N ATOM 0 H ARG A 27 7.014 0.559 3.940 1.00 0.00 H new ATOM 0 HA ARG A 27 9.759 1.502 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.349 2.282 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.487 0.821 6.138 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.698 -0.434 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.467 1.137 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.602 1.707 7.929 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.809 0.148 8.025 1.00 0.00 H new ATOM 0 HE ARG A 27 11.832 -0.822 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.402 2.280 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.141 2.250 7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.067 -0.854 9.008 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.081 0.482 8.453 1.00 0.00 H new ATOM 413 N GLU A 28 10.545 -0.868 3.301 1.00 0.00 N ATOM 414 CA GLU A 28 10.925 -2.240 2.987 1.00 0.00 C ATOM 415 C GLU A 28 10.798 -3.135 4.217 1.00 0.00 C ATOM 416 O GLU A 28 11.492 -2.939 5.214 1.00 0.00 O ATOM 417 CB GLU A 28 12.358 -2.287 2.455 1.00 0.00 C ATOM 418 CG GLU A 28 12.749 -3.637 1.876 1.00 0.00 C ATOM 419 CD GLU A 28 14.246 -3.778 1.684 1.00 0.00 C ATOM 420 OE1 GLU A 28 14.875 -2.816 1.195 1.00 0.00 O ATOM 421 OE2 GLU A 28 14.790 -4.850 2.023 1.00 0.00 O ATOM 0 H GLU A 28 11.270 -0.176 3.112 1.00 0.00 H new ATOM 0 HA GLU A 28 10.247 -2.610 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.476 -1.523 1.686 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.045 -2.035 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.395 -4.428 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.249 -3.776 0.917 1.00 0.00 H new ATOM 428 N GLY A 29 9.906 -4.117 4.138 1.00 0.00 N ATOM 429 CA GLY A 29 9.703 -5.027 5.251 1.00 0.00 C ATOM 430 C GLY A 29 8.721 -4.486 6.270 1.00 0.00 C ATOM 431 O GLY A 29 8.924 -4.631 7.476 1.00 0.00 O ATOM 0 H GLY A 29 9.320 -4.299 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.340 -5.983 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.659 -5.219 5.738 1.00 0.00 H new ATOM 435 N ASP A 30 7.655 -3.858 5.787 1.00 0.00 N ATOM 436 CA ASP A 30 6.637 -3.293 6.666 1.00 0.00 C ATOM 437 C ASP A 30 5.243 -3.746 6.244 1.00 0.00 C ATOM 438 O ASP A 30 4.958 -3.885 5.055 1.00 0.00 O ATOM 439 CB ASP A 30 6.716 -1.765 6.655 1.00 0.00 C ATOM 440 CG ASP A 30 7.708 -1.229 7.668 1.00 0.00 C ATOM 441 OD1 ASP A 30 8.772 -1.858 7.847 1.00 0.00 O ATOM 442 OD2 ASP A 30 7.420 -0.181 8.282 1.00 0.00 O ATOM 0 H ASP A 30 7.473 -3.727 4.792 1.00 0.00 H new ATOM 0 HA ASP A 30 6.825 -3.652 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.000 -1.426 5.659 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.729 -1.352 6.863 1.00 0.00 H new ATOM 447 N ARG A 31 4.378 -3.975 7.227 1.00 0.00 N ATOM 448 CA ARG A 31 3.014 -4.414 6.958 1.00 0.00 C ATOM 449 C ARG A 31 2.138 -3.239 6.533 1.00 0.00 C ATOM 450 O ARG A 31 2.301 -2.121 7.020 1.00 0.00 O ATOM 451 CB ARG A 31 2.419 -5.086 8.197 1.00 0.00 C ATOM 452 CG ARG A 31 2.914 -6.506 8.418 1.00 0.00 C ATOM 453 CD ARG A 31 2.170 -7.498 7.537 1.00 0.00 C ATOM 454 NE ARG A 31 0.971 -8.017 8.188 1.00 0.00 N ATOM 455 CZ ARG A 31 0.998 -8.790 9.268 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.156 -9.131 9.815 1.00 0.00 N ATOM 457 NH2 ARG A 31 -0.137 -9.223 9.804 1.00 0.00 N ATOM 0 H ARG A 31 4.598 -3.864 8.217 1.00 0.00 H new ATOM 0 HA ARG A 31 3.045 -5.135 6.141 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.658 -4.486 9.075 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.333 -5.099 8.106 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.982 -6.558 8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.784 -6.779 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.893 -7.014 6.600 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.832 -8.326 7.284 1.00 0.00 H new ATOM 0 HE ARG A 31 0.063 -7.773 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.030 -8.800 9.407 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.173 -9.725 10.644 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.030 -8.962 9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.116 -9.817 10.633 1.00 0.00 H new ATOM 471 N VAL A 32 1.209 -3.502 5.619 1.00 0.00 N ATOM 472 CA VAL A 32 0.307 -2.467 5.128 1.00 0.00 C ATOM 473 C VAL A 32 -1.121 -2.990 5.018 1.00 0.00 C ATOM 474 O VAL A 32 -1.353 -4.093 4.524 1.00 0.00 O ATOM 475 CB VAL A 32 0.755 -1.938 3.752 1.00 0.00 C ATOM 476 CG1 VAL A 32 0.061 -0.623 3.433 1.00 0.00 C ATOM 477 CG2 VAL A 32 2.267 -1.776 3.711 1.00 0.00 C ATOM 0 H VAL A 32 1.062 -4.422 5.204 1.00 0.00 H new ATOM 0 HA VAL A 32 0.338 -1.651 5.850 1.00 0.00 H new ATOM 0 HB VAL A 32 0.469 -2.665 2.992 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.390 -0.265 2.457 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.018 -0.775 3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.313 0.115 4.194 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.566 -1.402 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.578 -1.070 4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.741 -2.741 3.891 1.00 0.00 H new ATOM 487 N ASP A 33 -2.075 -2.190 5.483 1.00 0.00 N ATOM 488 CA ASP A 33 -3.482 -2.571 5.436 1.00 0.00 C ATOM 489 C ASP A 33 -4.149 -2.033 4.173 1.00 0.00 C ATOM 490 O ASP A 33 -4.304 -0.823 4.008 1.00 0.00 O ATOM 491 CB ASP A 33 -4.214 -2.053 6.674 1.00 0.00 C ATOM 492 CG ASP A 33 -3.531 -2.463 7.964 1.00 0.00 C ATOM 493 OD1 ASP A 33 -3.007 -3.594 8.024 1.00 0.00 O ATOM 494 OD2 ASP A 33 -3.522 -1.652 8.915 1.00 0.00 O ATOM 0 H ASP A 33 -1.900 -1.274 5.896 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.538 -3.659 5.419 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.275 -0.966 6.628 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.237 -2.430 6.672 1.00 0.00 H new ATOM 499 N VAL A 34 -4.540 -2.940 3.284 1.00 0.00 N ATOM 500 CA VAL A 34 -5.190 -2.558 2.036 1.00 0.00 C ATOM 501 C VAL A 34 -6.682 -2.870 2.076 1.00 0.00 C ATOM 502 O VAL A 34 -7.083 -3.996 2.366 1.00 0.00 O ATOM 503 CB VAL A 34 -4.557 -3.277 0.830 1.00 0.00 C ATOM 504 CG1 VAL A 34 -5.483 -3.213 -0.375 1.00 0.00 C ATOM 505 CG2 VAL A 34 -3.200 -2.675 0.503 1.00 0.00 C ATOM 0 H VAL A 34 -4.418 -3.945 3.405 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.050 -1.483 1.922 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.410 -4.325 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.020 -3.726 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.430 -3.696 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.664 -2.171 -0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.768 -3.195 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.319 -1.619 0.262 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.539 -2.779 1.363 1.00 0.00 H new ATOM 515 N MET A 35 -7.499 -1.864 1.780 1.00 0.00 N ATOM 516 CA MET A 35 -8.947 -2.032 1.780 1.00 0.00 C ATOM 517 C MET A 35 -9.504 -1.952 0.362 1.00 0.00 C ATOM 518 O MET A 35 -10.211 -2.853 -0.088 1.00 0.00 O ATOM 519 CB MET A 35 -9.606 -0.968 2.660 1.00 0.00 C ATOM 520 CG MET A 35 -9.307 -1.134 4.141 1.00 0.00 C ATOM 521 SD MET A 35 -9.970 0.214 5.139 1.00 0.00 S ATOM 522 CE MET A 35 -8.545 0.625 6.142 1.00 0.00 C ATOM 0 H MET A 35 -7.183 -0.925 1.537 1.00 0.00 H new ATOM 0 HA MET A 35 -9.173 -3.018 2.185 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.269 0.017 2.338 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.685 -1.001 2.510 1.00 0.00 H new ATOM 0 HG2 MET A 35 -9.726 -2.078 4.489 1.00 0.00 H new ATOM 0 HG3 MET A 35 -8.228 -1.191 4.286 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.797 1.445 6.814 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.249 -0.246 6.727 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.720 0.926 5.496 1.00 0.00 H new ATOM 532 N GLN A 36 -9.180 -0.868 -0.335 1.00 0.00 N ATOM 533 CA GLN A 36 -9.649 -0.670 -1.702 1.00 0.00 C ATOM 534 C GLN A 36 -8.506 -0.830 -2.698 1.00 0.00 C ATOM 535 O GLN A 36 -7.350 -0.551 -2.380 1.00 0.00 O ATOM 536 CB GLN A 36 -10.282 0.714 -1.851 1.00 0.00 C ATOM 537 CG GLN A 36 -10.921 0.947 -3.211 1.00 0.00 C ATOM 538 CD GLN A 36 -11.579 2.308 -3.321 1.00 0.00 C ATOM 539 OE1 GLN A 36 -12.771 2.459 -3.047 1.00 0.00 O ATOM 540 NE2 GLN A 36 -10.806 3.310 -3.723 1.00 0.00 N ATOM 0 H GLN A 36 -8.595 -0.113 0.024 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.401 -1.430 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.038 0.844 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.519 1.474 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.161 0.851 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.665 0.172 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.824 3.141 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.195 4.249 -3.815 1.00 0.00 H new ATOM 549 N GLN A 37 -8.837 -1.281 -3.904 1.00 0.00 N ATOM 550 CA GLN A 37 -7.836 -1.478 -4.946 1.00 0.00 C ATOM 551 C GLN A 37 -8.188 -0.680 -6.197 1.00 0.00 C ATOM 552 O GLN A 37 -9.363 -0.466 -6.499 1.00 0.00 O ATOM 553 CB GLN A 37 -7.716 -2.964 -5.292 1.00 0.00 C ATOM 554 CG GLN A 37 -7.659 -3.869 -4.072 1.00 0.00 C ATOM 555 CD GLN A 37 -7.068 -5.231 -4.383 1.00 0.00 C ATOM 556 OE1 GLN A 37 -7.217 -5.746 -5.492 1.00 0.00 O ATOM 557 NE2 GLN A 37 -6.393 -5.821 -3.404 1.00 0.00 N ATOM 0 H GLN A 37 -9.789 -1.517 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.878 -1.121 -4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.565 -3.254 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.818 -3.118 -5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.065 -3.388 -3.295 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.665 -3.996 -3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.295 -5.357 -2.501 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.973 -6.738 -3.555 1.00 0.00 H new ATOM 566 N CYS A 38 -7.164 -0.242 -6.921 1.00 0.00 N ATOM 567 CA CYS A 38 -7.366 0.535 -8.139 1.00 0.00 C ATOM 568 C CYS A 38 -7.209 -0.344 -9.376 1.00 0.00 C ATOM 569 O CYS A 38 -6.706 -1.465 -9.293 1.00 0.00 O ATOM 570 CB CYS A 38 -6.375 1.699 -8.196 1.00 0.00 C ATOM 571 SG CYS A 38 -6.659 2.972 -6.945 1.00 0.00 S ATOM 0 H CYS A 38 -6.186 -0.411 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.381 0.932 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.364 1.308 -8.078 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.426 2.157 -9.184 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.770 3.912 -7.073 1.00 0.00 H new ATOM 577 N ASP A 39 -7.644 0.172 -10.520 1.00 0.00 N ATOM 578 CA ASP A 39 -7.553 -0.566 -11.775 1.00 0.00 C ATOM 579 C ASP A 39 -6.151 -0.459 -12.367 1.00 0.00 C ATOM 580 O ASP A 39 -5.475 -1.467 -12.574 1.00 0.00 O ATOM 581 CB ASP A 39 -8.584 -0.043 -12.775 1.00 0.00 C ATOM 582 CG ASP A 39 -9.932 0.220 -12.132 1.00 0.00 C ATOM 583 OD1 ASP A 39 -10.022 1.146 -11.300 1.00 0.00 O ATOM 584 OD2 ASP A 39 -10.897 -0.501 -12.462 1.00 0.00 O ATOM 0 H ASP A 39 -8.063 1.098 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.761 -1.616 -11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.214 0.878 -13.226 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.704 -0.767 -13.581 1.00 0.00 H new ATOM 589 N ASP A 40 -5.722 0.768 -12.639 1.00 0.00 N ATOM 590 CA ASP A 40 -4.401 1.008 -13.209 1.00 0.00 C ATOM 591 C ASP A 40 -3.366 0.071 -12.593 1.00 0.00 C ATOM 592 O ASP A 40 -2.535 -0.501 -13.297 1.00 0.00 O ATOM 593 CB ASP A 40 -3.984 2.463 -12.990 1.00 0.00 C ATOM 594 CG ASP A 40 -3.585 2.741 -11.554 1.00 0.00 C ATOM 595 OD1 ASP A 40 -4.256 2.219 -10.639 1.00 0.00 O ATOM 596 OD2 ASP A 40 -2.601 3.481 -11.345 1.00 0.00 O ATOM 0 H ASP A 40 -6.270 1.613 -12.474 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.453 0.811 -14.280 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.149 2.702 -13.649 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.808 3.120 -13.269 1.00 0.00 H new ATOM 601 N GLY A 41 -3.423 -0.080 -11.273 1.00 0.00 N ATOM 602 CA GLY A 41 -2.484 -0.947 -10.585 1.00 0.00 C ATOM 603 C GLY A 41 -1.994 -0.351 -9.280 1.00 0.00 C ATOM 604 O GLY A 41 -0.832 -0.521 -8.911 1.00 0.00 O ATOM 0 H GLY A 41 -4.102 0.382 -10.668 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.959 -1.908 -10.386 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.631 -1.142 -11.235 1.00 0.00 H new ATOM 608 N TRP A 42 -2.880 0.350 -8.582 1.00 0.00 N ATOM 609 CA TRP A 42 -2.529 0.975 -7.312 1.00 0.00 C ATOM 610 C TRP A 42 -3.411 0.448 -6.185 1.00 0.00 C ATOM 611 O TRP A 42 -4.490 -0.093 -6.428 1.00 0.00 O ATOM 612 CB TRP A 42 -2.665 2.495 -7.413 1.00 0.00 C ATOM 613 CG TRP A 42 -1.460 3.160 -8.007 1.00 0.00 C ATOM 614 CD1 TRP A 42 -0.920 2.928 -9.240 1.00 0.00 C ATOM 615 CD2 TRP A 42 -0.646 4.165 -7.393 1.00 0.00 C ATOM 616 NE1 TRP A 42 0.181 3.728 -9.429 1.00 0.00 N ATOM 617 CE2 TRP A 42 0.370 4.496 -8.311 1.00 0.00 C ATOM 618 CE3 TRP A 42 -0.677 4.818 -6.158 1.00 0.00 C ATOM 619 CZ2 TRP A 42 1.344 5.451 -8.030 1.00 0.00 C ATOM 620 CZ3 TRP A 42 0.291 5.764 -5.880 1.00 0.00 C ATOM 621 CH2 TRP A 42 1.290 6.074 -6.813 1.00 0.00 C ATOM 0 H TRP A 42 -3.846 0.500 -8.874 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.493 0.724 -7.086 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.539 2.735 -8.018 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.844 2.904 -6.418 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.302 2.220 -9.960 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.763 3.747 -10.266 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.444 4.587 -5.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 2.115 5.691 -8.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.278 6.273 -4.928 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.032 6.819 -6.566 1.00 0.00 H new ATOM 632 N PHE A 43 -2.945 0.609 -4.951 1.00 0.00 N ATOM 633 CA PHE A 43 -3.691 0.148 -3.785 1.00 0.00 C ATOM 634 C PHE A 43 -3.992 1.307 -2.839 1.00 0.00 C ATOM 635 O PHE A 43 -3.191 2.230 -2.696 1.00 0.00 O ATOM 636 CB PHE A 43 -2.905 -0.938 -3.047 1.00 0.00 C ATOM 637 CG PHE A 43 -2.876 -2.254 -3.770 1.00 0.00 C ATOM 638 CD1 PHE A 43 -4.034 -2.786 -4.314 1.00 0.00 C ATOM 639 CD2 PHE A 43 -1.691 -2.960 -3.904 1.00 0.00 C ATOM 640 CE1 PHE A 43 -4.011 -3.996 -4.981 1.00 0.00 C ATOM 641 CE2 PHE A 43 -1.662 -4.171 -4.569 1.00 0.00 C ATOM 642 CZ PHE A 43 -2.823 -4.690 -5.107 1.00 0.00 C ATOM 0 H PHE A 43 -2.054 1.055 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.636 -0.270 -4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.882 -0.594 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.343 -1.085 -2.060 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.966 -2.249 -4.216 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.780 -2.559 -3.484 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.920 -4.398 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.732 -4.711 -4.668 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.802 -5.637 -5.626 1.00 0.00 H new ATOM 652 N VAL A 44 -5.154 1.251 -2.196 1.00 0.00 N ATOM 653 CA VAL A 44 -5.562 2.294 -1.263 1.00 0.00 C ATOM 654 C VAL A 44 -5.927 1.706 0.095 1.00 0.00 C ATOM 655 O VAL A 44 -6.831 0.879 0.202 1.00 0.00 O ATOM 656 CB VAL A 44 -6.764 3.092 -1.804 1.00 0.00 C ATOM 657 CG1 VAL A 44 -7.132 4.217 -0.849 1.00 0.00 C ATOM 658 CG2 VAL A 44 -6.461 3.637 -3.192 1.00 0.00 C ATOM 0 H VAL A 44 -5.829 0.494 -2.304 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.711 2.965 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.619 2.420 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.983 4.769 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -7.395 3.798 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.283 4.891 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.321 4.198 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.593 4.295 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.252 2.810 -3.870 1.00 0.00 H new ATOM 668 N GLY A 45 -5.215 2.138 1.131 1.00 0.00 N ATOM 669 CA GLY A 45 -5.478 1.643 2.470 1.00 0.00 C ATOM 670 C GLY A 45 -4.829 2.496 3.542 1.00 0.00 C ATOM 671 O GLY A 45 -4.790 3.722 3.431 1.00 0.00 O ATOM 0 H GLY A 45 -4.461 2.822 1.067 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.555 1.612 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.113 0.620 2.554 1.00 0.00 H new ATOM 675 N VAL A 46 -4.318 1.847 4.583 1.00 0.00 N ATOM 676 CA VAL A 46 -3.667 2.554 5.680 1.00 0.00 C ATOM 677 C VAL A 46 -2.295 1.960 5.979 1.00 0.00 C ATOM 678 O VAL A 46 -2.055 0.776 5.744 1.00 0.00 O ATOM 679 CB VAL A 46 -4.522 2.513 6.960 1.00 0.00 C ATOM 680 CG1 VAL A 46 -3.738 3.058 8.144 1.00 0.00 C ATOM 681 CG2 VAL A 46 -5.814 3.292 6.762 1.00 0.00 C ATOM 0 H VAL A 46 -4.342 0.833 4.690 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.550 3.590 5.363 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.778 1.475 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.359 3.021 9.039 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.844 2.454 8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.449 4.090 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.406 3.253 7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.580 4.330 6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.382 2.852 5.942 1.00 0.00 H new ATOM 691 N SER A 47 -1.398 2.790 6.501 1.00 0.00 N ATOM 692 CA SER A 47 -0.048 2.348 6.830 1.00 0.00 C ATOM 693 C SER A 47 -0.004 1.728 8.223 1.00 0.00 C ATOM 694 O SER A 47 -0.994 1.746 8.954 1.00 0.00 O ATOM 695 CB SER A 47 0.930 3.522 6.750 1.00 0.00 C ATOM 696 OG SER A 47 2.258 3.098 7.003 1.00 0.00 O ATOM 0 H SER A 47 -1.582 3.772 6.705 1.00 0.00 H new ATOM 0 HA SER A 47 0.246 1.590 6.104 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.873 3.980 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.645 4.287 7.473 1.00 0.00 H new ATOM 0 HG SER A 47 2.864 3.866 6.944 1.00 0.00 H new ATOM 702 N ARG A 48 1.153 1.181 8.585 1.00 0.00 N ATOM 703 CA ARG A 48 1.327 0.555 9.889 1.00 0.00 C ATOM 704 C ARG A 48 2.317 1.342 10.743 1.00 0.00 C ATOM 705 O ARG A 48 2.605 0.970 11.880 1.00 0.00 O ATOM 706 CB ARG A 48 1.811 -0.887 9.726 1.00 0.00 C ATOM 707 CG ARG A 48 0.770 -1.814 9.120 1.00 0.00 C ATOM 708 CD ARG A 48 -0.364 -2.091 10.095 1.00 0.00 C ATOM 709 NE ARG A 48 0.081 -2.874 11.245 1.00 0.00 N ATOM 710 CZ ARG A 48 0.251 -4.191 11.215 1.00 0.00 C ATOM 711 NH1 ARG A 48 0.015 -4.868 10.100 1.00 0.00 N ATOM 712 NH2 ARG A 48 0.658 -4.833 12.303 1.00 0.00 N ATOM 0 H ARG A 48 1.983 1.159 7.993 1.00 0.00 H new ATOM 0 HA ARG A 48 0.361 0.552 10.394 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.701 -0.894 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.107 -1.274 10.701 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.368 -1.367 8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.241 -2.754 8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.784 -1.146 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.162 -2.625 9.580 1.00 0.00 H new ATOM 0 HE ARG A 48 0.272 -2.383 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -0.298 -4.378 9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.146 -5.879 10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.840 -4.315 13.163 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.788 -5.844 12.280 1.00 0.00 H new ATOM 726 N ARG A 49 2.836 2.431 10.184 1.00 0.00 N ATOM 727 CA ARG A 49 3.796 3.269 10.893 1.00 0.00 C ATOM 728 C ARG A 49 3.225 4.664 11.133 1.00 0.00 C ATOM 729 O ARG A 49 3.417 5.250 12.199 1.00 0.00 O ATOM 730 CB ARG A 49 5.100 3.370 10.101 1.00 0.00 C ATOM 731 CG ARG A 49 6.168 4.205 10.788 1.00 0.00 C ATOM 732 CD ARG A 49 7.566 3.732 10.424 1.00 0.00 C ATOM 733 NE ARG A 49 8.601 4.594 10.989 1.00 0.00 N ATOM 734 CZ ARG A 49 9.902 4.379 10.834 1.00 0.00 C ATOM 735 NH1 ARG A 49 10.326 3.336 10.134 1.00 0.00 N ATOM 736 NH2 ARG A 49 10.783 5.209 11.379 1.00 0.00 N ATOM 0 H ARG A 49 2.608 2.753 9.243 1.00 0.00 H new ATOM 0 HA ARG A 49 4.001 2.807 11.859 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.490 2.367 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.888 3.801 9.122 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.052 5.251 10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.034 4.151 11.868 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.708 2.712 10.782 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.669 3.706 9.339 1.00 0.00 H new ATOM 0 HE ARG A 49 8.308 5.406 11.533 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.652 2.696 9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.326 3.173 10.016 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.461 6.013 11.918 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.782 5.043 11.259 1.00 0.00 H new ATOM 750 N THR A 50 2.524 5.191 10.135 1.00 0.00 N ATOM 751 CA THR A 50 1.927 6.517 10.236 1.00 0.00 C ATOM 752 C THR A 50 0.418 6.428 10.427 1.00 0.00 C ATOM 753 O THR A 50 -0.255 7.442 10.607 1.00 0.00 O ATOM 754 CB THR A 50 2.226 7.365 8.985 1.00 0.00 C ATOM 755 OG1 THR A 50 1.861 6.642 7.805 1.00 0.00 O ATOM 756 CG2 THR A 50 3.700 7.736 8.923 1.00 0.00 C ATOM 0 H THR A 50 2.355 4.720 9.246 1.00 0.00 H new ATOM 0 HA THR A 50 2.373 6.998 11.107 1.00 0.00 H new ATOM 0 HB THR A 50 1.639 8.282 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.052 7.188 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.887 8.334 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.968 8.311 9.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.302 6.828 8.884 1.00 0.00 H new ATOM 764 N GLN A 51 -0.108 5.208 10.385 1.00 0.00 N ATOM 765 CA GLN A 51 -1.540 4.987 10.554 1.00 0.00 C ATOM 766 C GLN A 51 -2.345 6.014 9.764 1.00 0.00 C ATOM 767 O GLN A 51 -3.409 6.454 10.200 1.00 0.00 O ATOM 768 CB GLN A 51 -1.917 5.055 12.034 1.00 0.00 C ATOM 769 CG GLN A 51 -1.533 6.367 12.701 1.00 0.00 C ATOM 770 CD GLN A 51 -1.994 6.446 14.142 1.00 0.00 C ATOM 771 OE1 GLN A 51 -1.534 5.686 14.996 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.907 7.368 14.422 1.00 0.00 N ATOM 0 H GLN A 51 0.435 4.358 10.236 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.777 3.994 10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.992 4.908 12.133 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.433 4.233 12.562 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.450 6.486 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.965 7.196 12.140 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.260 7.976 13.684 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.255 7.468 15.376 1.00 0.00 H new ATOM 781 N LYS A 52 -1.831 6.392 8.598 1.00 0.00 N ATOM 782 CA LYS A 52 -2.502 7.366 7.746 1.00 0.00 C ATOM 783 C LYS A 52 -3.232 6.674 6.599 1.00 0.00 C ATOM 784 O LYS A 52 -2.979 5.506 6.304 1.00 0.00 O ATOM 785 CB LYS A 52 -1.489 8.369 7.188 1.00 0.00 C ATOM 786 CG LYS A 52 -1.031 9.400 8.205 1.00 0.00 C ATOM 787 CD LYS A 52 -0.580 10.686 7.531 1.00 0.00 C ATOM 788 CE LYS A 52 -0.007 11.671 8.538 1.00 0.00 C ATOM 789 NZ LYS A 52 0.868 12.684 7.886 1.00 0.00 N ATOM 0 H LYS A 52 -0.951 6.038 8.222 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.235 7.898 8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.620 7.826 6.816 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.932 8.884 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.845 9.617 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.211 8.991 8.796 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.172 10.458 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.424 11.142 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.822 12.175 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.564 11.129 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.239 13.337 8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.660 12.205 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.317 13.219 7.185 1.00 0.00 H new ATOM 803 N PHE A 53 -4.138 7.403 5.955 1.00 0.00 N ATOM 804 CA PHE A 53 -4.905 6.859 4.841 1.00 0.00 C ATOM 805 C PHE A 53 -4.585 7.602 3.547 1.00 0.00 C ATOM 806 O PHE A 53 -4.654 8.829 3.489 1.00 0.00 O ATOM 807 CB PHE A 53 -6.404 6.946 5.135 1.00 0.00 C ATOM 808 CG PHE A 53 -7.260 6.307 4.078 1.00 0.00 C ATOM 809 CD1 PHE A 53 -7.377 4.929 4.003 1.00 0.00 C ATOM 810 CD2 PHE A 53 -7.946 7.085 3.160 1.00 0.00 C ATOM 811 CE1 PHE A 53 -8.164 4.338 3.032 1.00 0.00 C ATOM 812 CE2 PHE A 53 -8.735 6.500 2.188 1.00 0.00 C ATOM 813 CZ PHE A 53 -8.843 5.125 2.123 1.00 0.00 C ATOM 0 H PHE A 53 -4.359 8.372 6.186 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.627 5.812 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -6.607 6.468 6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -6.686 7.994 5.235 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.847 4.309 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.863 8.161 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.248 3.262 2.985 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.267 7.118 1.480 1.00 0.00 H new ATOM 0 HZ PHE A 53 -9.457 4.666 1.363 1.00 0.00 H new ATOM 823 N GLY A 54 -4.234 6.848 2.509 1.00 0.00 N ATOM 824 CA GLY A 54 -3.908 7.451 1.230 1.00 0.00 C ATOM 825 C GLY A 54 -3.815 6.430 0.114 1.00 0.00 C ATOM 826 O GLY A 54 -4.367 5.334 0.217 1.00 0.00 O ATOM 0 H GLY A 54 -4.170 5.830 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.666 8.192 0.978 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.959 7.981 1.313 1.00 0.00 H new ATOM 830 N THR A 55 -3.116 6.789 -0.958 1.00 0.00 N ATOM 831 CA THR A 55 -2.955 5.897 -2.099 1.00 0.00 C ATOM 832 C THR A 55 -1.482 5.696 -2.437 1.00 0.00 C ATOM 833 O THR A 55 -0.701 6.648 -2.443 1.00 0.00 O ATOM 834 CB THR A 55 -3.686 6.438 -3.342 1.00 0.00 C ATOM 835 OG1 THR A 55 -3.347 5.652 -4.490 1.00 0.00 O ATOM 836 CG2 THR A 55 -3.322 7.894 -3.593 1.00 0.00 C ATOM 0 H THR A 55 -2.652 7.692 -1.060 1.00 0.00 H new ATOM 0 HA THR A 55 -3.394 4.940 -1.816 1.00 0.00 H new ATOM 0 HB THR A 55 -4.759 6.374 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.817 6.001 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.850 8.254 -4.476 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.607 8.494 -2.729 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.247 7.978 -3.754 1.00 0.00 H new ATOM 844 N PHE A 56 -1.108 4.452 -2.718 1.00 0.00 N ATOM 845 CA PHE A 56 0.272 4.127 -3.056 1.00 0.00 C ATOM 846 C PHE A 56 0.328 3.056 -4.143 1.00 0.00 C ATOM 847 O PHE A 56 -0.609 2.282 -4.335 1.00 0.00 O ATOM 848 CB PHE A 56 1.025 3.647 -1.813 1.00 0.00 C ATOM 849 CG PHE A 56 0.231 2.701 -0.959 1.00 0.00 C ATOM 850 CD1 PHE A 56 -0.743 3.176 -0.097 1.00 0.00 C ATOM 851 CD2 PHE A 56 0.460 1.335 -1.019 1.00 0.00 C ATOM 852 CE1 PHE A 56 -1.476 2.308 0.690 1.00 0.00 C ATOM 853 CE2 PHE A 56 -0.270 0.462 -0.235 1.00 0.00 C ATOM 854 CZ PHE A 56 -1.238 0.949 0.622 1.00 0.00 C ATOM 0 H PHE A 56 -1.742 3.653 -2.718 1.00 0.00 H new ATOM 0 HA PHE A 56 0.749 5.031 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.947 3.156 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.310 4.512 -1.214 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.932 4.238 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.217 0.949 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.234 2.692 1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.084 -0.600 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.808 0.269 1.238 1.00 0.00 H new ATOM 864 N PRO A 57 1.453 3.012 -4.871 1.00 0.00 N ATOM 865 CA PRO A 57 1.660 2.042 -5.951 1.00 0.00 C ATOM 866 C PRO A 57 1.825 0.619 -5.428 1.00 0.00 C ATOM 867 O PRO A 57 2.830 0.292 -4.797 1.00 0.00 O ATOM 868 CB PRO A 57 2.952 2.521 -6.616 1.00 0.00 C ATOM 869 CG PRO A 57 3.674 3.266 -5.548 1.00 0.00 C ATOM 870 CD PRO A 57 2.611 3.905 -4.697 1.00 0.00 C ATOM 0 HA PRO A 57 0.807 1.998 -6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.543 1.682 -6.982 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.742 3.161 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.296 2.595 -4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.336 4.019 -5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.916 3.968 -3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.389 4.920 -5.026 1.00 0.00 H new ATOM 878 N GLY A 58 0.833 -0.225 -5.695 1.00 0.00 N ATOM 879 CA GLY A 58 0.889 -1.603 -5.244 1.00 0.00 C ATOM 880 C GLY A 58 2.147 -2.313 -5.704 1.00 0.00 C ATOM 881 O GLY A 58 2.509 -3.359 -5.168 1.00 0.00 O ATOM 0 H GLY A 58 -0.009 0.021 -6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.839 -1.628 -4.155 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.016 -2.140 -5.616 1.00 0.00 H new ATOM 885 N ASN A 59 2.814 -1.743 -6.702 1.00 0.00 N ATOM 886 CA ASN A 59 4.038 -2.329 -7.237 1.00 0.00 C ATOM 887 C ASN A 59 5.128 -2.379 -6.170 1.00 0.00 C ATOM 888 O ASN A 59 6.125 -3.086 -6.319 1.00 0.00 O ATOM 889 CB ASN A 59 4.527 -1.528 -8.445 1.00 0.00 C ATOM 890 CG ASN A 59 3.409 -1.210 -9.419 1.00 0.00 C ATOM 891 OD1 ASN A 59 2.819 -0.030 -9.276 1.00 0.00 O flip ATOM 892 ND2 ASN A 59 3.081 -2.017 -10.289 1.00 0.00 N flip ATOM 0 H ASN A 59 2.528 -0.876 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 59 3.816 -3.348 -7.552 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.981 -0.599 -8.101 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.305 -2.091 -8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.563 -2.913 -10.361 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.327 -1.790 -10.937 1.00 0.00 H new ATOM 899 N TYR A 60 4.930 -1.625 -5.095 1.00 0.00 N ATOM 900 CA TYR A 60 5.897 -1.582 -4.004 1.00 0.00 C ATOM 901 C TYR A 60 5.502 -2.545 -2.888 1.00 0.00 C ATOM 902 O TYR A 60 6.352 -3.029 -2.140 1.00 0.00 O ATOM 903 CB TYR A 60 6.008 -0.160 -3.450 1.00 0.00 C ATOM 904 CG TYR A 60 6.933 0.730 -4.249 1.00 0.00 C ATOM 905 CD1 TYR A 60 6.564 1.199 -5.504 1.00 0.00 C ATOM 906 CD2 TYR A 60 8.175 1.101 -3.750 1.00 0.00 C ATOM 907 CE1 TYR A 60 7.405 2.012 -6.238 1.00 0.00 C ATOM 908 CE2 TYR A 60 9.022 1.915 -4.477 1.00 0.00 C ATOM 909 CZ TYR A 60 8.633 2.368 -5.720 1.00 0.00 C ATOM 910 OH TYR A 60 9.475 3.178 -6.447 1.00 0.00 O ATOM 0 H TYR A 60 4.109 -1.035 -4.955 1.00 0.00 H new ATOM 0 HA TYR A 60 6.866 -1.889 -4.398 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.016 0.290 -3.426 1.00 0.00 H new ATOM 0 HB3 TYR A 60 6.362 -0.207 -2.420 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.603 0.923 -5.912 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.484 0.747 -2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.103 2.367 -7.212 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.984 2.195 -4.074 1.00 0.00 H new ATOM 0 HH TYR A 60 10.298 3.334 -5.939 1.00 0.00 H new ATOM 920 N VAL A 61 4.206 -2.819 -2.782 1.00 0.00 N ATOM 921 CA VAL A 61 3.697 -3.725 -1.760 1.00 0.00 C ATOM 922 C VAL A 61 3.213 -5.033 -2.376 1.00 0.00 C ATOM 923 O VAL A 61 3.131 -5.162 -3.597 1.00 0.00 O ATOM 924 CB VAL A 61 2.541 -3.085 -0.967 1.00 0.00 C ATOM 925 CG1 VAL A 61 2.949 -1.719 -0.437 1.00 0.00 C ATOM 926 CG2 VAL A 61 1.296 -2.980 -1.834 1.00 0.00 C ATOM 0 H VAL A 61 3.489 -2.426 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 61 4.524 -3.931 -1.080 1.00 0.00 H new ATOM 0 HB VAL A 61 2.310 -3.724 -0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.120 -1.282 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.812 -1.827 0.221 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.208 -1.067 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.489 -2.526 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.511 -2.363 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.994 -3.976 -2.159 1.00 0.00 H new ATOM 936 N ALA A 62 2.894 -6.000 -1.523 1.00 0.00 N ATOM 937 CA ALA A 62 2.416 -7.298 -1.983 1.00 0.00 C ATOM 938 C ALA A 62 1.536 -7.964 -0.931 1.00 0.00 C ATOM 939 O ALA A 62 1.669 -7.721 0.269 1.00 0.00 O ATOM 940 CB ALA A 62 3.590 -8.198 -2.337 1.00 0.00 C ATOM 0 H ALA A 62 2.958 -5.909 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 62 1.812 -7.138 -2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.218 -9.164 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.178 -7.734 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.217 -8.342 -1.457 1.00 0.00 H new ATOM 946 N PRO A 63 0.613 -8.823 -1.388 1.00 0.00 N ATOM 947 CA PRO A 63 -0.308 -9.541 -0.502 1.00 0.00 C ATOM 948 C PRO A 63 0.402 -10.598 0.339 1.00 0.00 C ATOM 949 O PRO A 63 0.691 -11.694 -0.140 1.00 0.00 O ATOM 950 CB PRO A 63 -1.291 -10.201 -1.471 1.00 0.00 C ATOM 951 CG PRO A 63 -0.531 -10.342 -2.745 1.00 0.00 C ATOM 952 CD PRO A 63 0.397 -9.161 -2.805 1.00 0.00 C ATOM 0 HA PRO A 63 -0.782 -8.875 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.623 -11.170 -1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.183 -9.589 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.027 -11.278 -2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.204 -10.353 -3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.333 -9.410 -3.306 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.046 -8.330 -3.353 1.00 0.00 H new ATOM 960 N VAL A 64 0.679 -10.261 1.594 1.00 0.00 N ATOM 961 CA VAL A 64 1.353 -11.181 2.502 1.00 0.00 C ATOM 962 C VAL A 64 0.490 -12.406 2.784 1.00 0.00 C ATOM 963 O VAL A 64 1.003 -13.510 2.966 1.00 0.00 O ATOM 964 CB VAL A 64 1.706 -10.496 3.836 1.00 0.00 C ATOM 965 CG1 VAL A 64 0.576 -9.581 4.281 1.00 0.00 C ATOM 966 CG2 VAL A 64 2.013 -11.536 4.903 1.00 0.00 C ATOM 0 H VAL A 64 0.447 -9.357 2.005 1.00 0.00 H new ATOM 0 HA VAL A 64 2.273 -11.495 2.009 1.00 0.00 H new ATOM 0 HB VAL A 64 2.598 -9.887 3.688 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.843 -9.106 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.408 -8.815 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.335 -10.165 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.260 -11.035 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.141 -12.173 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.858 -12.146 4.584 1.00 0.00 H new ATOM 976 N SER A 65 -0.823 -12.202 2.818 1.00 0.00 N ATOM 977 CA SER A 65 -1.758 -13.290 3.082 1.00 0.00 C ATOM 978 C SER A 65 -1.338 -14.558 2.344 1.00 0.00 C ATOM 979 O SER A 65 -1.521 -15.668 2.841 1.00 0.00 O ATOM 980 CB SER A 65 -3.173 -12.886 2.662 1.00 0.00 C ATOM 981 OG SER A 65 -3.864 -12.265 3.731 1.00 0.00 O ATOM 0 H SER A 65 -1.263 -11.294 2.666 1.00 0.00 H new ATOM 0 HA SER A 65 -1.748 -13.494 4.153 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.123 -12.205 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.723 -13.767 2.332 1.00 0.00 H new ATOM 0 HG SER A 65 -4.765 -12.015 3.437 1.00 0.00 H new ATOM 987 N GLY A 66 -0.774 -14.383 1.153 1.00 0.00 N ATOM 988 CA GLY A 66 -0.337 -15.520 0.365 1.00 0.00 C ATOM 989 C GLY A 66 -1.256 -15.801 -0.807 1.00 0.00 C ATOM 990 O GLY A 66 -2.240 -15.097 -1.035 1.00 0.00 O ATOM 0 H GLY A 66 -0.612 -13.474 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.672 -15.336 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.287 -16.402 1.003 1.00 0.00 H new ATOM 994 N PRO A 67 -0.935 -16.852 -1.577 1.00 0.00 N ATOM 995 CA PRO A 67 -1.726 -17.247 -2.746 1.00 0.00 C ATOM 996 C PRO A 67 -3.086 -17.820 -2.360 1.00 0.00 C ATOM 997 O PRO A 67 -3.288 -18.249 -1.224 1.00 0.00 O ATOM 998 CB PRO A 67 -0.863 -18.321 -3.413 1.00 0.00 C ATOM 999 CG PRO A 67 -0.032 -18.878 -2.308 1.00 0.00 C ATOM 1000 CD PRO A 67 0.224 -17.735 -1.366 1.00 0.00 C ATOM 0 HA PRO A 67 -1.949 -16.398 -3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.478 -19.094 -3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.241 -17.896 -4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.551 -19.692 -1.802 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.904 -19.285 -2.691 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.288 -18.073 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.162 -17.229 -1.594 1.00 0.00 H new ATOM 1008 N SER A 68 -4.013 -17.825 -3.312 1.00 0.00 N ATOM 1009 CA SER A 68 -5.355 -18.343 -3.069 1.00 0.00 C ATOM 1010 C SER A 68 -5.758 -19.336 -4.155 1.00 0.00 C ATOM 1011 O SER A 68 -6.299 -20.403 -3.865 1.00 0.00 O ATOM 1012 CB SER A 68 -6.365 -17.195 -3.012 1.00 0.00 C ATOM 1013 OG SER A 68 -6.065 -16.304 -1.951 1.00 0.00 O ATOM 0 H SER A 68 -3.860 -17.477 -4.258 1.00 0.00 H new ATOM 0 HA SER A 68 -5.350 -18.861 -2.110 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.359 -16.654 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.370 -17.597 -2.881 1.00 0.00 H new ATOM 0 HG SER A 68 -6.724 -15.578 -1.937 1.00 0.00 H new ATOM 1019 N SER A 69 -5.490 -18.977 -5.406 1.00 0.00 N ATOM 1020 CA SER A 69 -5.827 -19.834 -6.536 1.00 0.00 C ATOM 1021 C SER A 69 -4.784 -19.710 -7.643 1.00 0.00 C ATOM 1022 O SER A 69 -4.106 -18.690 -7.760 1.00 0.00 O ATOM 1023 CB SER A 69 -7.211 -19.474 -7.081 1.00 0.00 C ATOM 1024 OG SER A 69 -7.273 -18.107 -7.451 1.00 0.00 O ATOM 0 H SER A 69 -5.040 -18.098 -5.663 1.00 0.00 H new ATOM 0 HA SER A 69 -5.839 -20.866 -6.186 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.439 -20.099 -7.945 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.969 -19.685 -6.326 1.00 0.00 H new ATOM 0 HG SER A 69 -8.166 -17.902 -7.798 1.00 0.00 H new ATOM 1030 N GLY A 70 -4.662 -20.757 -8.453 1.00 0.00 N ATOM 1031 CA GLY A 70 -3.700 -20.747 -9.540 1.00 0.00 C ATOM 1032 C GLY A 70 -2.805 -21.969 -9.533 1.00 0.00 C ATOM 1033 O GLY A 70 -3.064 -22.933 -8.812 1.00 0.00 O ATOM 0 H GLY A 70 -5.212 -21.612 -8.376 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.231 -20.695 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -3.085 -19.850 -9.469 1.00 0.00 H new TER 1037 GLY A 70