USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 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 58 SER OG : rot 171:sc= 0.949 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 177:sc= 1.12 (180deg=0) USER MOD Set 2.1: A 4 THR OG1 : rot 9:sc= 0.718 USER MOD Set 2.2: A 6 TYR OH : rot 174:sc= 1.03 USER MOD Single : A 7 SER OG : rot 66:sc= 0.272 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= -0.278 (180deg=-0.278) USER MOD Single : A 11 SER OG : rot 64:sc= 1.32 USER MOD Single : A 13 MET CE :methyl 155:sc= -0.316 (180deg=-1.86) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= -0.167 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.308 K(o=0.31,f=-0.33) USER MOD Single : A 28 GLN : amide:sc= 0.00784 X(o=0.0078,f=-0.15) USER MOD Single : A 33 ASN : amide:sc= 0.979 K(o=0.98,f=-0.26) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= 1.87 K(o=1.9,f=-6.5!) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.32 F(o=-2,f=-1.3) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -152:sc= -0.14 USER MOD Single : A 66 SER OG : rot -53:sc= 0.756 USER MOD Single : A 71 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.099 3.916 -12.652 1.00 0.51 N ATOM 20 CA THR A 4 -5.615 2.603 -12.293 1.00 0.41 C ATOM 21 C THR A 4 -5.590 2.463 -10.779 1.00 0.38 C ATOM 22 O THR A 4 -4.786 3.105 -10.103 1.00 0.47 O ATOM 23 CB THR A 4 -4.776 1.482 -12.919 1.00 0.50 C ATOM 24 OG1 THR A 4 -3.987 1.964 -13.975 1.00 0.98 O ATOM 25 CG2 THR A 4 -5.612 0.287 -13.381 1.00 0.79 C ATOM 0 HA THR A 4 -6.634 2.515 -12.671 1.00 0.41 H new ATOM 0 HB THR A 4 -4.123 1.122 -12.124 1.00 0.50 H new ATOM 0 HG1 THR A 4 -4.037 2.942 -14.000 1.00 0.98 H new ATOM 0 HG21 THR A 4 -4.957 -0.469 -13.814 1.00 0.79 H new ATOM 0 HG22 THR A 4 -6.143 -0.137 -12.529 1.00 0.79 H new ATOM 0 HG23 THR A 4 -6.333 0.615 -14.130 1.00 0.79 H new ATOM 33 N ARG A 5 -6.449 1.575 -10.288 1.00 0.35 N ATOM 34 CA ARG A 5 -6.624 1.278 -8.883 1.00 0.35 C ATOM 35 C ARG A 5 -6.103 -0.124 -8.604 1.00 0.36 C ATOM 36 O ARG A 5 -6.370 -1.034 -9.384 1.00 0.51 O ATOM 37 CB ARG A 5 -8.112 1.312 -8.556 1.00 0.50 C ATOM 38 CG ARG A 5 -8.275 1.233 -7.039 1.00 0.57 C ATOM 39 CD ARG A 5 -9.665 0.750 -6.650 1.00 0.90 C ATOM 40 NE ARG A 5 -10.387 1.777 -5.883 1.00 1.55 N ATOM 41 CZ ARG A 5 -10.808 2.938 -6.401 1.00 2.49 C ATOM 42 NH1 ARG A 5 -10.991 3.023 -7.723 1.00 3.21 N ATOM 43 NH2 ARG A 5 -11.031 3.995 -5.608 1.00 3.68 N ATOM 0 H ARG A 5 -7.063 1.024 -10.888 1.00 0.35 H new ATOM 0 HA ARG A 5 -6.084 2.008 -8.280 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -8.563 2.227 -8.939 1.00 0.50 H new ATOM 0 HB3 ARG A 5 -8.625 0.479 -9.036 1.00 0.50 H new ATOM 0 HG2 ARG A 5 -7.526 0.557 -6.627 1.00 0.57 H new ATOM 0 HG3 ARG A 5 -8.094 2.215 -6.601 1.00 0.57 H new ATOM 0 HD2 ARG A 5 -10.230 0.498 -7.547 1.00 0.90 H new ATOM 0 HD3 ARG A 5 -9.584 -0.161 -6.057 1.00 0.90 H new ATOM 0 HE ARG A 5 -10.578 1.594 -4.898 1.00 1.55 H new ATOM 0 HH11 ARG A 5 -10.810 2.213 -8.316 1.00 3.21 H new ATOM 0 HH12 ARG A 5 -11.311 3.898 -8.138 1.00 3.21 H new ATOM 0 HH21 ARG A 5 -10.880 3.919 -4.602 1.00 3.68 H new ATOM 0 HH22 ARG A 5 -11.352 4.876 -6.010 1.00 3.68 H new ATOM 57 N TYR A 6 -5.398 -0.303 -7.489 1.00 0.48 N ATOM 58 CA TYR A 6 -4.821 -1.577 -7.090 1.00 0.49 C ATOM 59 C TYR A 6 -4.964 -1.839 -5.591 1.00 0.36 C ATOM 60 O TYR A 6 -4.887 -0.878 -4.838 1.00 0.38 O ATOM 61 CB TYR A 6 -3.341 -1.482 -7.406 1.00 0.51 C ATOM 62 CG TYR A 6 -2.956 -0.816 -8.699 1.00 0.50 C ATOM 63 CD1 TYR A 6 -3.434 -1.339 -9.907 1.00 1.77 C ATOM 64 CD2 TYR A 6 -1.983 0.195 -8.702 1.00 1.61 C ATOM 65 CE1 TYR A 6 -2.937 -0.857 -11.122 1.00 1.66 C ATOM 66 CE2 TYR A 6 -1.457 0.653 -9.917 1.00 1.75 C ATOM 67 CZ TYR A 6 -1.932 0.129 -11.129 1.00 0.57 C ATOM 68 OH TYR A 6 -1.461 0.622 -12.306 1.00 0.79 O ATOM 0 H TYR A 6 -5.210 0.450 -6.827 1.00 0.48 H new ATOM 0 HA TYR A 6 -5.332 -2.384 -7.614 1.00 0.49 H new ATOM 0 HB2 TYR A 6 -2.855 -0.945 -6.591 1.00 0.51 H new ATOM 0 HB3 TYR A 6 -2.931 -2.492 -7.411 1.00 0.51 H new ATOM 0 HD1 TYR A 6 -4.186 -2.114 -9.900 1.00 1.77 H new ATOM 0 HD2 TYR A 6 -1.640 0.619 -7.770 1.00 1.61 H new ATOM 0 HE1 TYR A 6 -3.324 -1.241 -12.054 1.00 1.66 H new ATOM 0 HE2 TYR A 6 -0.686 1.409 -9.921 1.00 1.75 H new ATOM 0 HH TYR A 6 -0.842 1.361 -12.127 1.00 0.79 H new ATOM 78 N SER A 7 -5.099 -3.098 -5.141 1.00 0.50 N ATOM 79 CA SER A 7 -5.173 -3.447 -3.712 1.00 0.67 C ATOM 80 C SER A 7 -4.092 -4.445 -3.268 1.00 0.65 C ATOM 81 O SER A 7 -3.578 -5.216 -4.078 1.00 0.59 O ATOM 82 CB SER A 7 -6.600 -3.965 -3.437 1.00 0.86 C ATOM 83 OG SER A 7 -6.708 -4.659 -2.209 1.00 2.65 O ATOM 0 H SER A 7 -5.160 -3.906 -5.761 1.00 0.50 H new ATOM 0 HA SER A 7 -4.970 -2.558 -3.115 1.00 0.67 H new ATOM 0 HB2 SER A 7 -7.292 -3.123 -3.434 1.00 0.86 H new ATOM 0 HB3 SER A 7 -6.904 -4.625 -4.249 1.00 0.86 H new ATOM 0 HG SER A 7 -6.553 -4.037 -1.467 1.00 2.65 H new ATOM 89 N TRP A 8 -3.761 -4.409 -1.965 1.00 0.73 N ATOM 90 CA TRP A 8 -2.920 -5.365 -1.242 1.00 0.83 C ATOM 91 C TRP A 8 -3.607 -5.706 0.086 1.00 0.88 C ATOM 92 O TRP A 8 -4.377 -4.900 0.612 1.00 0.93 O ATOM 93 CB TRP A 8 -1.479 -4.850 -1.039 1.00 0.81 C ATOM 94 CG TRP A 8 -0.728 -4.700 -2.322 1.00 0.69 C ATOM 95 CD1 TRP A 8 -0.270 -5.760 -3.028 1.00 0.92 C ATOM 96 CD2 TRP A 8 -0.667 -3.605 -3.284 1.00 0.92 C ATOM 97 NE1 TRP A 8 -0.281 -5.421 -4.373 1.00 2.03 N ATOM 98 CE2 TRP A 8 -0.970 -4.227 -4.503 1.00 2.21 C ATOM 99 CE3 TRP A 8 -0.694 -2.189 -3.387 1.00 1.60 C ATOM 100 CZ2 TRP A 8 -1.632 -3.446 -5.462 1.00 3.01 C ATOM 101 CZ3 TRP A 8 -0.373 -1.638 -4.679 1.00 1.34 C ATOM 102 CH2 TRP A 8 -0.993 -2.258 -5.737 1.00 1.23 C ATOM 0 H TRP A 8 -4.097 -3.663 -1.356 1.00 0.73 H new ATOM 0 HA TRP A 8 -2.815 -6.271 -1.839 1.00 0.83 H new ATOM 0 HB2 TRP A 8 -1.511 -3.888 -0.528 1.00 0.81 H new ATOM 0 HB3 TRP A 8 -0.941 -5.539 -0.388 1.00 0.81 H new ATOM 0 HD1 TRP A 8 0.049 -6.706 -2.616 1.00 0.92 H new ATOM 0 HE1 TRP A 8 0.143 -5.956 -5.131 1.00 2.03 H new ATOM 0 HE3 TRP A 8 -0.941 -1.560 -2.544 1.00 1.60 H new ATOM 0 HZ2 TRP A 8 -2.553 -3.747 -5.938 1.00 3.01 H new ATOM 0 HZ3 TRP A 8 0.301 -0.804 -4.806 1.00 1.34 H new ATOM 0 HH2 TRP A 8 -0.980 -1.836 -6.731 1.00 1.23 H new ATOM 113 N LYS A 9 -3.346 -6.914 0.599 1.00 0.81 N ATOM 114 CA LYS A 9 -4.021 -7.499 1.752 1.00 0.59 C ATOM 115 C LYS A 9 -3.079 -7.408 2.960 1.00 0.68 C ATOM 116 O LYS A 9 -2.359 -8.363 3.240 1.00 1.21 O ATOM 117 CB LYS A 9 -4.371 -8.966 1.423 1.00 0.74 C ATOM 118 CG LYS A 9 -5.134 -9.121 0.096 1.00 1.25 C ATOM 119 CD LYS A 9 -5.465 -10.597 -0.195 1.00 1.13 C ATOM 120 CE LYS A 9 -6.950 -10.937 0.034 1.00 1.55 C ATOM 121 NZ LYS A 9 -7.783 -10.833 -1.191 1.00 2.55 N ATOM 0 H LYS A 9 -2.633 -7.528 0.205 1.00 0.81 H new ATOM 0 HA LYS A 9 -4.943 -6.967 1.987 1.00 0.59 H new ATOM 0 HB2 LYS A 9 -3.452 -9.551 1.378 1.00 0.74 H new ATOM 0 HB3 LYS A 9 -4.973 -9.380 2.232 1.00 0.74 H new ATOM 0 HG2 LYS A 9 -6.056 -8.541 0.135 1.00 1.25 H new ATOM 0 HG3 LYS A 9 -4.536 -8.714 -0.719 1.00 1.25 H new ATOM 0 HD2 LYS A 9 -5.200 -10.826 -1.227 1.00 1.13 H new ATOM 0 HD3 LYS A 9 -4.850 -11.234 0.441 1.00 1.13 H new ATOM 0 HE2 LYS A 9 -7.025 -11.950 0.428 1.00 1.55 H new ATOM 0 HE3 LYS A 9 -7.353 -10.268 0.795 1.00 1.55 H new ATOM 0 HZ1 LYS A 9 -8.768 -11.075 -0.962 1.00 2.55 H new ATOM 0 HZ2 LYS A 9 -7.742 -9.861 -1.557 1.00 2.55 H new ATOM 0 HZ3 LYS A 9 -7.423 -11.490 -1.912 1.00 2.55 H new ATOM 135 N VAL A 10 -3.028 -6.266 3.652 1.00 0.62 N ATOM 136 CA VAL A 10 -1.846 -5.906 4.430 1.00 0.83 C ATOM 137 C VAL A 10 -1.992 -6.392 5.871 1.00 1.11 C ATOM 138 O VAL A 10 -2.468 -5.677 6.752 1.00 2.30 O ATOM 139 CB VAL A 10 -1.606 -4.391 4.369 1.00 0.86 C ATOM 140 CG1 VAL A 10 -0.278 -4.042 5.050 1.00 1.07 C ATOM 141 CG2 VAL A 10 -1.517 -3.929 2.916 1.00 0.74 C ATOM 0 H VAL A 10 -3.785 -5.583 3.688 1.00 0.62 H new ATOM 0 HA VAL A 10 -0.974 -6.398 3.998 1.00 0.83 H new ATOM 0 HB VAL A 10 -2.436 -3.897 4.874 1.00 0.86 H new ATOM 0 HG11 VAL A 10 -0.116 -2.965 5.002 1.00 1.07 H new ATOM 0 HG12 VAL A 10 -0.310 -4.358 6.093 1.00 1.07 H new ATOM 0 HG13 VAL A 10 0.538 -4.555 4.540 1.00 1.07 H new ATOM 0 HG21 VAL A 10 -1.347 -2.853 2.886 1.00 0.74 H new ATOM 0 HG22 VAL A 10 -0.692 -4.441 2.421 1.00 0.74 H new ATOM 0 HG23 VAL A 10 -2.449 -4.163 2.402 1.00 0.74 H new ATOM 151 N SER A 11 -1.518 -7.611 6.106 1.00 0.39 N ATOM 152 CA SER A 11 -1.658 -8.305 7.367 1.00 0.41 C ATOM 153 C SER A 11 -0.412 -7.989 8.181 1.00 0.55 C ATOM 154 O SER A 11 0.655 -8.579 7.987 1.00 0.79 O ATOM 155 CB SER A 11 -1.895 -9.803 7.136 1.00 0.69 C ATOM 156 OG SER A 11 -2.694 -10.331 8.176 1.00 0.92 O ATOM 0 H SER A 11 -1.014 -8.151 5.403 1.00 0.39 H new ATOM 0 HA SER A 11 -2.532 -7.973 7.927 1.00 0.41 H new ATOM 0 HB2 SER A 11 -2.385 -9.958 6.175 1.00 0.69 H new ATOM 0 HB3 SER A 11 -0.941 -10.329 7.096 1.00 0.69 H new ATOM 0 HG SER A 11 -3.581 -9.915 8.151 1.00 0.92 H new ATOM 162 N GLY A 12 -0.553 -6.975 9.031 1.00 0.63 N ATOM 163 CA GLY A 12 0.482 -6.492 9.930 1.00 0.85 C ATOM 164 C GLY A 12 0.269 -5.010 10.224 1.00 0.91 C ATOM 165 O GLY A 12 0.655 -4.522 11.285 1.00 1.08 O ATOM 0 H GLY A 12 -1.424 -6.451 9.113 1.00 0.63 H new ATOM 0 HA2 GLY A 12 0.463 -7.062 10.859 1.00 0.85 H new ATOM 0 HA3 GLY A 12 1.464 -6.645 9.482 1.00 0.85 H new ATOM 169 N MET A 13 -0.361 -4.283 9.294 1.00 0.79 N ATOM 170 CA MET A 13 -0.734 -2.903 9.545 1.00 0.74 C ATOM 171 C MET A 13 -1.863 -2.845 10.574 1.00 0.86 C ATOM 172 O MET A 13 -3.031 -2.737 10.203 1.00 1.13 O ATOM 173 CB MET A 13 -1.139 -2.239 8.231 1.00 0.70 C ATOM 174 CG MET A 13 -1.491 -0.760 8.425 1.00 1.61 C ATOM 175 SD MET A 13 -2.427 0.013 7.086 1.00 1.83 S ATOM 176 CE MET A 13 -3.844 -1.099 6.962 1.00 1.99 C ATOM 0 H MET A 13 -0.618 -4.632 8.370 1.00 0.79 H new ATOM 0 HA MET A 13 0.116 -2.359 9.955 1.00 0.74 H new ATOM 0 HB2 MET A 13 -0.324 -2.327 7.513 1.00 0.70 H new ATOM 0 HB3 MET A 13 -1.995 -2.764 7.807 1.00 0.70 H new ATOM 0 HG2 MET A 13 -2.064 -0.661 9.347 1.00 1.61 H new ATOM 0 HG3 MET A 13 -0.565 -0.202 8.564 1.00 1.61 H new ATOM 0 HE1 MET A 13 -4.692 -0.562 6.536 1.00 1.99 H new ATOM 0 HE2 MET A 13 -3.589 -1.943 6.320 1.00 1.99 H new ATOM 0 HE3 MET A 13 -4.108 -1.465 7.954 1.00 1.99 H new ATOM 186 N ASP A 14 -1.499 -2.852 11.858 1.00 1.05 N ATOM 187 CA ASP A 14 -2.414 -2.535 12.941 1.00 1.26 C ATOM 188 C ASP A 14 -1.789 -1.506 13.884 1.00 1.33 C ATOM 189 O ASP A 14 -1.272 -1.849 14.946 1.00 1.90 O ATOM 190 CB ASP A 14 -2.846 -3.821 13.659 1.00 1.71 C ATOM 191 CG ASP A 14 -3.888 -3.572 14.746 1.00 2.36 C ATOM 192 OD1 ASP A 14 -4.356 -2.417 14.853 1.00 2.78 O ATOM 193 OD2 ASP A 14 -4.220 -4.556 15.440 1.00 3.40 O ATOM 0 H ASP A 14 -0.555 -3.080 12.171 1.00 1.05 H new ATOM 0 HA ASP A 14 -3.317 -2.078 12.537 1.00 1.26 H new ATOM 0 HB2 ASP A 14 -3.251 -4.521 12.928 1.00 1.71 H new ATOM 0 HB3 ASP A 14 -1.971 -4.295 14.103 1.00 1.71 H new ATOM 198 N CYS A 15 -1.797 -0.235 13.461 1.00 0.91 N ATOM 199 CA CYS A 15 -1.411 0.921 14.266 1.00 0.99 C ATOM 200 C CYS A 15 -1.531 2.171 13.401 1.00 1.26 C ATOM 201 O CYS A 15 -1.131 2.139 12.240 1.00 2.75 O ATOM 202 CB CYS A 15 0.042 0.836 14.757 1.00 1.08 C ATOM 203 SG CYS A 15 0.125 1.402 16.468 1.00 1.57 S ATOM 0 H CYS A 15 -2.083 0.021 12.516 1.00 0.91 H new ATOM 0 HA CYS A 15 -2.067 0.950 15.136 1.00 0.99 H new ATOM 0 HB2 CYS A 15 0.404 -0.189 14.683 1.00 1.08 H new ATOM 0 HB3 CYS A 15 0.688 1.448 14.127 1.00 1.08 H new ATOM 0 HG CYS A 15 1.353 1.330 16.890 1.00 1.57 H new ATOM 209 N ALA A 16 -2.009 3.295 13.937 1.00 0.69 N ATOM 210 CA ALA A 16 -2.153 4.507 13.134 1.00 0.91 C ATOM 211 C ALA A 16 -0.797 5.040 12.647 1.00 1.01 C ATOM 212 O ALA A 16 -0.651 5.476 11.503 1.00 2.06 O ATOM 213 CB ALA A 16 -2.929 5.566 13.919 1.00 1.30 C ATOM 0 H ALA A 16 -2.299 3.390 14.910 1.00 0.69 H new ATOM 0 HA ALA A 16 -2.722 4.255 12.239 1.00 0.91 H new ATOM 0 HB1 ALA A 16 -3.031 6.466 13.313 1.00 1.30 H new ATOM 0 HB2 ALA A 16 -3.918 5.182 14.168 1.00 1.30 H new ATOM 0 HB3 ALA A 16 -2.391 5.806 14.836 1.00 1.30 H new ATOM 219 N ALA A 17 0.218 4.982 13.511 1.00 0.66 N ATOM 220 CA ALA A 17 1.579 5.351 13.145 1.00 0.72 C ATOM 221 C ALA A 17 2.113 4.460 12.014 1.00 0.61 C ATOM 222 O ALA A 17 2.906 4.904 11.182 1.00 0.73 O ATOM 223 CB ALA A 17 2.472 5.264 14.386 1.00 0.98 C ATOM 0 H ALA A 17 0.116 4.679 14.480 1.00 0.66 H new ATOM 0 HA ALA A 17 1.583 6.375 12.771 1.00 0.72 H new ATOM 0 HB1 ALA A 17 3.493 5.539 14.120 1.00 0.98 H new ATOM 0 HB2 ALA A 17 2.100 5.946 15.150 1.00 0.98 H new ATOM 0 HB3 ALA A 17 2.460 4.245 14.772 1.00 0.98 H new ATOM 229 N CYS A 18 1.674 3.199 11.983 1.00 0.51 N ATOM 230 CA CYS A 18 2.115 2.198 11.022 1.00 0.56 C ATOM 231 C CYS A 18 1.316 2.360 9.729 1.00 0.40 C ATOM 232 O CYS A 18 1.846 2.179 8.633 1.00 0.43 O ATOM 233 CB CYS A 18 1.983 0.796 11.630 1.00 0.79 C ATOM 234 SG CYS A 18 3.162 0.619 12.993 1.00 2.31 S ATOM 0 H CYS A 18 0.985 2.842 12.645 1.00 0.51 H new ATOM 0 HA CYS A 18 3.168 2.337 10.779 1.00 0.56 H new ATOM 0 HB2 CYS A 18 0.967 0.638 11.991 1.00 0.79 H new ATOM 0 HB3 CYS A 18 2.173 0.038 10.870 1.00 0.79 H new ATOM 0 HG CYS A 18 3.051 -0.568 13.512 1.00 2.31 H new ATOM 240 N ALA A 19 0.055 2.786 9.841 1.00 0.37 N ATOM 241 CA ALA A 19 -0.725 3.213 8.695 1.00 0.43 C ATOM 242 C ALA A 19 0.026 4.305 7.934 1.00 0.38 C ATOM 243 O ALA A 19 0.132 4.234 6.713 1.00 0.46 O ATOM 244 CB ALA A 19 -2.132 3.650 9.111 1.00 0.57 C ATOM 0 H ALA A 19 -0.445 2.841 10.728 1.00 0.37 H new ATOM 0 HA ALA A 19 -0.857 2.368 8.020 1.00 0.43 H new ATOM 0 HB1 ALA A 19 -2.691 3.964 8.230 1.00 0.57 H new ATOM 0 HB2 ALA A 19 -2.646 2.816 9.588 1.00 0.57 H new ATOM 0 HB3 ALA A 19 -2.062 4.482 9.812 1.00 0.57 H new ATOM 250 N ARG A 20 0.626 5.286 8.625 1.00 0.32 N ATOM 251 CA ARG A 20 1.465 6.227 7.929 1.00 0.35 C ATOM 252 C ARG A 20 2.574 5.528 7.147 1.00 0.29 C ATOM 253 O ARG A 20 2.781 5.844 5.985 1.00 0.29 O ATOM 254 CB ARG A 20 1.977 7.348 8.822 1.00 0.41 C ATOM 255 CG ARG A 20 0.840 8.318 9.179 1.00 0.52 C ATOM 256 CD ARG A 20 0.964 8.848 10.615 1.00 0.73 C ATOM 257 NE ARG A 20 0.359 10.181 10.779 1.00 1.32 N ATOM 258 CZ ARG A 20 -0.942 10.492 10.648 1.00 2.10 C ATOM 259 NH1 ARG A 20 -1.834 9.542 10.354 1.00 3.51 N ATOM 260 NH2 ARG A 20 -1.340 11.758 10.816 1.00 2.75 N ATOM 0 H ARG A 20 0.541 5.433 9.631 1.00 0.32 H new ATOM 0 HA ARG A 20 0.831 6.722 7.193 1.00 0.35 H new ATOM 0 HB2 ARG A 20 2.404 6.928 9.733 1.00 0.41 H new ATOM 0 HB3 ARG A 20 2.777 7.888 8.315 1.00 0.41 H new ATOM 0 HG2 ARG A 20 0.846 9.156 8.482 1.00 0.52 H new ATOM 0 HG3 ARG A 20 -0.118 7.812 9.061 1.00 0.52 H new ATOM 0 HD2 ARG A 20 0.485 8.148 11.300 1.00 0.73 H new ATOM 0 HD3 ARG A 20 2.017 8.894 10.892 1.00 0.73 H new ATOM 0 HE ARG A 20 0.991 10.945 11.016 1.00 1.32 H new ATOM 0 HH11 ARG A 20 -1.529 8.577 10.228 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -2.821 9.782 10.255 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -0.657 12.481 11.042 1.00 2.75 H new ATOM 0 HH22 ARG A 20 -2.326 12.000 10.718 1.00 2.75 H new ATOM 274 N LYS A 21 3.277 4.553 7.719 1.00 0.31 N ATOM 275 CA LYS A 21 4.266 3.811 6.940 1.00 0.37 C ATOM 276 C LYS A 21 3.698 3.304 5.604 1.00 0.38 C ATOM 277 O LYS A 21 4.410 3.343 4.605 1.00 0.42 O ATOM 278 CB LYS A 21 4.904 2.703 7.785 1.00 0.48 C ATOM 279 CG LYS A 21 6.258 3.091 8.399 1.00 0.82 C ATOM 280 CD LYS A 21 6.194 4.257 9.402 1.00 1.03 C ATOM 281 CE LYS A 21 6.642 5.597 8.790 1.00 2.75 C ATOM 282 NZ LYS A 21 6.669 6.682 9.792 1.00 3.69 N ATOM 0 H LYS A 21 3.185 4.263 8.693 1.00 0.31 H new ATOM 0 HA LYS A 21 5.064 4.501 6.667 1.00 0.37 H new ATOM 0 HB2 LYS A 21 4.218 2.430 8.586 1.00 0.48 H new ATOM 0 HB3 LYS A 21 5.038 1.817 7.164 1.00 0.48 H new ATOM 0 HG2 LYS A 21 6.678 2.219 8.901 1.00 0.82 H new ATOM 0 HG3 LYS A 21 6.944 3.357 7.595 1.00 0.82 H new ATOM 0 HD2 LYS A 21 5.174 4.355 9.773 1.00 1.03 H new ATOM 0 HD3 LYS A 21 6.824 4.026 10.261 1.00 1.03 H new ATOM 0 HE2 LYS A 21 7.634 5.482 8.353 1.00 2.75 H new ATOM 0 HE3 LYS A 21 5.966 5.869 7.979 1.00 2.75 H new ATOM 0 HZ1 LYS A 21 6.976 7.566 9.338 1.00 3.69 H new ATOM 0 HZ2 LYS A 21 5.717 6.810 10.191 1.00 3.69 H new ATOM 0 HZ3 LYS A 21 7.333 6.435 10.553 1.00 3.69 H new ATOM 296 N VAL A 22 2.425 2.907 5.537 1.00 0.44 N ATOM 297 CA VAL A 22 1.809 2.504 4.285 1.00 0.52 C ATOM 298 C VAL A 22 1.668 3.671 3.313 1.00 0.51 C ATOM 299 O VAL A 22 2.111 3.570 2.169 1.00 0.64 O ATOM 300 CB VAL A 22 0.437 1.896 4.567 1.00 0.55 C ATOM 301 CG1 VAL A 22 -0.238 1.511 3.253 1.00 0.58 C ATOM 302 CG2 VAL A 22 0.611 0.655 5.452 1.00 0.53 C ATOM 0 H VAL A 22 1.803 2.858 6.344 1.00 0.44 H new ATOM 0 HA VAL A 22 2.459 1.765 3.816 1.00 0.52 H new ATOM 0 HB VAL A 22 -0.189 2.625 5.082 1.00 0.55 H new ATOM 0 HG11 VAL A 22 -1.217 1.078 3.460 1.00 0.58 H new ATOM 0 HG12 VAL A 22 -0.358 2.399 2.632 1.00 0.58 H new ATOM 0 HG13 VAL A 22 0.378 0.781 2.728 1.00 0.58 H new ATOM 0 HG21 VAL A 22 -0.365 0.215 5.658 1.00 0.53 H new ATOM 0 HG22 VAL A 22 1.236 -0.074 4.937 1.00 0.53 H new ATOM 0 HG23 VAL A 22 1.085 0.941 6.391 1.00 0.53 H new ATOM 312 N GLU A 23 1.015 4.765 3.723 1.00 0.42 N ATOM 313 CA GLU A 23 0.800 5.861 2.787 1.00 0.46 C ATOM 314 C GLU A 23 2.185 6.361 2.357 1.00 0.36 C ATOM 315 O GLU A 23 2.453 6.593 1.191 1.00 0.43 O ATOM 316 CB GLU A 23 -0.116 6.965 3.350 1.00 0.52 C ATOM 317 CG GLU A 23 0.571 7.639 4.534 1.00 0.43 C ATOM 318 CD GLU A 23 -0.091 8.900 5.064 1.00 0.75 C ATOM 319 OE1 GLU A 23 0.303 9.977 4.554 1.00 1.99 O ATOM 320 OE2 GLU A 23 -0.893 8.776 6.012 1.00 1.67 O ATOM 0 H GLU A 23 0.641 4.909 4.661 1.00 0.42 H new ATOM 0 HA GLU A 23 0.251 5.512 1.912 1.00 0.46 H new ATOM 0 HB2 GLU A 23 -0.336 7.700 2.576 1.00 0.52 H new ATOM 0 HB3 GLU A 23 -1.069 6.538 3.663 1.00 0.52 H new ATOM 0 HG2 GLU A 23 0.636 6.918 5.349 1.00 0.43 H new ATOM 0 HG3 GLU A 23 1.592 7.884 4.243 1.00 0.43 H new ATOM 327 N ASN A 24 3.116 6.467 3.299 1.00 0.24 N ATOM 328 CA ASN A 24 4.434 7.007 3.041 1.00 0.25 C ATOM 329 C ASN A 24 5.207 6.054 2.123 1.00 0.27 C ATOM 330 O ASN A 24 5.935 6.513 1.240 1.00 0.29 O ATOM 331 CB ASN A 24 5.142 7.336 4.359 1.00 0.29 C ATOM 332 CG ASN A 24 4.562 8.586 5.044 1.00 0.36 C ATOM 333 OD1 ASN A 24 5.128 9.669 4.961 1.00 0.52 O ATOM 334 ND2 ASN A 24 3.430 8.439 5.728 1.00 0.33 N ATOM 0 H ASN A 24 2.971 6.177 4.266 1.00 0.24 H new ATOM 0 HA ASN A 24 4.366 7.955 2.507 1.00 0.25 H new ATOM 0 HB2 ASN A 24 5.059 6.484 5.034 1.00 0.29 H new ATOM 0 HB3 ASN A 24 6.204 7.490 4.168 1.00 0.29 H new ATOM 0 HD21 ASN A 24 3.012 9.241 6.200 1.00 0.33 H new ATOM 0 HD22 ASN A 24 2.981 7.525 5.780 1.00 0.33 H new ATOM 341 N ALA A 25 5.006 4.737 2.279 1.00 0.34 N ATOM 342 CA ALA A 25 5.507 3.725 1.353 1.00 0.46 C ATOM 343 C ALA A 25 5.061 3.980 -0.086 1.00 0.45 C ATOM 344 O ALA A 25 5.803 3.625 -0.997 1.00 0.50 O ATOM 345 CB ALA A 25 5.145 2.305 1.801 1.00 0.66 C ATOM 0 H ALA A 25 4.484 4.346 3.063 1.00 0.34 H new ATOM 0 HA ALA A 25 6.594 3.808 1.372 1.00 0.46 H new ATOM 0 HB1 ALA A 25 5.538 1.586 1.083 1.00 0.66 H new ATOM 0 HB2 ALA A 25 5.578 2.111 2.782 1.00 0.66 H new ATOM 0 HB3 ALA A 25 4.061 2.207 1.857 1.00 0.66 H new ATOM 351 N VAL A 26 3.893 4.594 -0.319 1.00 0.45 N ATOM 352 CA VAL A 26 3.482 4.964 -1.665 1.00 0.49 C ATOM 353 C VAL A 26 3.880 6.401 -2.025 1.00 0.43 C ATOM 354 O VAL A 26 4.282 6.669 -3.155 1.00 0.49 O ATOM 355 CB VAL A 26 1.990 4.717 -1.892 1.00 0.69 C ATOM 356 CG1 VAL A 26 1.657 3.232 -1.932 1.00 1.20 C ATOM 357 CG2 VAL A 26 1.033 5.409 -0.943 1.00 2.08 C ATOM 0 H VAL A 26 3.223 4.841 0.410 1.00 0.45 H new ATOM 0 HA VAL A 26 4.027 4.310 -2.346 1.00 0.49 H new ATOM 0 HB VAL A 26 1.827 5.181 -2.865 1.00 0.69 H new ATOM 0 HG11 VAL A 26 0.587 3.103 -2.095 1.00 1.20 H new ATOM 0 HG12 VAL A 26 2.208 2.757 -2.744 1.00 1.20 H new ATOM 0 HG13 VAL A 26 1.938 2.771 -0.985 1.00 1.20 H new ATOM 0 HG21 VAL A 26 0.008 5.153 -1.210 1.00 2.08 H new ATOM 0 HG22 VAL A 26 1.234 5.084 0.078 1.00 2.08 H new ATOM 0 HG23 VAL A 26 1.168 6.488 -1.013 1.00 2.08 H new ATOM 367 N ARG A 27 3.779 7.343 -1.086 1.00 0.36 N ATOM 368 CA ARG A 27 4.017 8.758 -1.361 1.00 0.40 C ATOM 369 C ARG A 27 5.456 8.957 -1.839 1.00 0.35 C ATOM 370 O ARG A 27 5.736 9.842 -2.641 1.00 0.42 O ATOM 371 CB ARG A 27 3.729 9.611 -0.117 1.00 0.41 C ATOM 372 CG ARG A 27 2.231 9.660 0.242 1.00 0.57 C ATOM 373 CD ARG A 27 1.953 10.301 1.607 1.00 0.94 C ATOM 374 NE ARG A 27 2.352 11.712 1.627 1.00 0.93 N ATOM 375 CZ ARG A 27 2.276 12.513 2.701 1.00 1.47 C ATOM 376 NH1 ARG A 27 1.747 12.079 3.850 1.00 2.64 N ATOM 377 NH2 ARG A 27 2.741 13.767 2.610 1.00 1.90 N ATOM 0 H ARG A 27 3.531 7.146 -0.117 1.00 0.36 H new ATOM 0 HA ARG A 27 3.338 9.083 -2.149 1.00 0.40 H new ATOM 0 HB2 ARG A 27 4.287 9.211 0.729 1.00 0.41 H new ATOM 0 HB3 ARG A 27 4.090 10.625 -0.286 1.00 0.41 H new ATOM 0 HG2 ARG A 27 1.698 10.218 -0.528 1.00 0.57 H new ATOM 0 HG3 ARG A 27 1.830 8.646 0.236 1.00 0.57 H new ATOM 0 HD2 ARG A 27 0.891 10.218 1.840 1.00 0.94 H new ATOM 0 HD3 ARG A 27 2.493 9.758 2.383 1.00 0.94 H new ATOM 0 HE ARG A 27 2.713 12.114 0.762 1.00 0.93 H new ATOM 0 HH11 ARG A 27 1.393 11.125 3.920 1.00 2.64 H new ATOM 0 HH12 ARG A 27 1.698 12.702 4.656 1.00 2.64 H new ATOM 0 HH21 ARG A 27 3.145 14.099 1.734 1.00 1.90 H new ATOM 0 HH22 ARG A 27 2.691 14.389 3.417 1.00 1.90 H new ATOM 391 N GLN A 28 6.363 8.109 -1.349 1.00 0.28 N ATOM 392 CA GLN A 28 7.765 8.115 -1.736 1.00 0.26 C ATOM 393 C GLN A 28 8.013 7.692 -3.191 1.00 0.23 C ATOM 394 O GLN A 28 9.144 7.823 -3.649 1.00 0.26 O ATOM 395 CB GLN A 28 8.580 7.296 -0.736 1.00 0.28 C ATOM 396 CG GLN A 28 8.328 5.791 -0.876 1.00 0.30 C ATOM 397 CD GLN A 28 8.923 5.029 0.304 1.00 0.42 C ATOM 398 OE1 GLN A 28 9.783 4.171 0.140 1.00 0.51 O ATOM 399 NE2 GLN A 28 8.482 5.357 1.514 1.00 0.61 N ATOM 0 H GLN A 28 6.135 7.390 -0.662 1.00 0.28 H new ATOM 0 HA GLN A 28 8.106 9.150 -1.702 1.00 0.26 H new ATOM 0 HB2 GLN A 28 9.641 7.500 -0.882 1.00 0.28 H new ATOM 0 HB3 GLN A 28 8.331 7.611 0.277 1.00 0.28 H new ATOM 0 HG2 GLN A 28 7.256 5.601 -0.934 1.00 0.30 H new ATOM 0 HG3 GLN A 28 8.766 5.429 -1.806 1.00 0.30 H new ATOM 0 HE21 GLN A 28 7.765 6.075 1.618 1.00 0.61 H new ATOM 0 HE22 GLN A 28 8.860 4.891 2.338 1.00 0.61 H new ATOM 408 N LEU A 29 7.026 7.096 -3.879 1.00 0.22 N ATOM 409 CA LEU A 29 7.158 6.695 -5.276 1.00 0.25 C ATOM 410 C LEU A 29 7.228 7.949 -6.164 1.00 0.28 C ATOM 411 O LEU A 29 8.186 8.712 -6.105 1.00 0.39 O ATOM 412 CB LEU A 29 6.041 5.716 -5.661 1.00 0.26 C ATOM 413 CG LEU A 29 5.905 4.435 -4.808 1.00 0.33 C ATOM 414 CD1 LEU A 29 5.588 3.282 -5.737 1.00 0.46 C ATOM 415 CD2 LEU A 29 7.069 3.935 -3.945 1.00 0.47 C ATOM 0 H LEU A 29 6.114 6.881 -3.475 1.00 0.22 H new ATOM 0 HA LEU A 29 8.089 6.150 -5.431 1.00 0.25 H new ATOM 0 HB2 LEU A 29 5.093 6.252 -5.621 1.00 0.26 H new ATOM 0 HB3 LEU A 29 6.195 5.418 -6.698 1.00 0.26 H new ATOM 0 HG LEU A 29 5.145 4.743 -4.090 1.00 0.33 H new ATOM 0 HD11 LEU A 29 5.487 2.365 -5.157 1.00 0.46 H new ATOM 0 HD12 LEU A 29 4.654 3.484 -6.262 1.00 0.46 H new ATOM 0 HD13 LEU A 29 6.394 3.166 -6.462 1.00 0.46 H new ATOM 0 HD21 LEU A 29 6.772 3.024 -3.426 1.00 0.47 H new ATOM 0 HD22 LEU A 29 7.930 3.726 -4.581 1.00 0.47 H new ATOM 0 HD23 LEU A 29 7.335 4.699 -3.214 1.00 0.47 H new ATOM 427 N ALA A 30 6.215 8.165 -7.003 1.00 0.27 N ATOM 428 CA ALA A 30 6.117 9.302 -7.911 1.00 0.31 C ATOM 429 C ALA A 30 4.772 9.239 -8.623 1.00 0.36 C ATOM 430 O ALA A 30 4.046 10.225 -8.691 1.00 0.39 O ATOM 431 CB ALA A 30 7.253 9.274 -8.943 1.00 0.34 C ATOM 0 H ALA A 30 5.417 7.533 -7.070 1.00 0.27 H new ATOM 0 HA ALA A 30 6.201 10.227 -7.341 1.00 0.31 H new ATOM 0 HB1 ALA A 30 7.160 10.131 -9.610 1.00 0.34 H new ATOM 0 HB2 ALA A 30 8.213 9.317 -8.429 1.00 0.34 H new ATOM 0 HB3 ALA A 30 7.194 8.354 -9.524 1.00 0.34 H new ATOM 437 N GLY A 31 4.448 8.056 -9.153 1.00 0.40 N ATOM 438 CA GLY A 31 3.271 7.870 -10.000 1.00 0.46 C ATOM 439 C GLY A 31 1.981 7.619 -9.211 1.00 0.38 C ATOM 440 O GLY A 31 0.902 7.507 -9.790 1.00 0.46 O ATOM 0 H GLY A 31 4.992 7.206 -9.007 1.00 0.40 H new ATOM 0 HA2 GLY A 31 3.139 8.754 -10.624 1.00 0.46 H new ATOM 0 HA3 GLY A 31 3.446 7.029 -10.671 1.00 0.46 H new ATOM 444 N VAL A 32 2.089 7.490 -7.888 1.00 0.36 N ATOM 445 CA VAL A 32 0.951 7.380 -6.989 1.00 0.32 C ATOM 446 C VAL A 32 0.194 8.708 -6.992 1.00 0.41 C ATOM 447 O VAL A 32 0.815 9.754 -6.829 1.00 0.56 O ATOM 448 CB VAL A 32 1.482 7.019 -5.592 1.00 0.32 C ATOM 449 CG1 VAL A 32 0.413 7.170 -4.499 1.00 0.41 C ATOM 450 CG2 VAL A 32 2.031 5.584 -5.632 1.00 0.28 C ATOM 0 H VAL A 32 2.988 7.459 -7.407 1.00 0.36 H new ATOM 0 HA VAL A 32 0.257 6.601 -7.306 1.00 0.32 H new ATOM 0 HB VAL A 32 2.278 7.717 -5.332 1.00 0.32 H new ATOM 0 HG11 VAL A 32 0.840 6.903 -3.533 1.00 0.41 H new ATOM 0 HG12 VAL A 32 0.066 8.203 -4.469 1.00 0.41 H new ATOM 0 HG13 VAL A 32 -0.427 6.512 -4.719 1.00 0.41 H new ATOM 0 HG21 VAL A 32 2.412 5.313 -4.647 1.00 0.28 H new ATOM 0 HG22 VAL A 32 1.233 4.897 -5.915 1.00 0.28 H new ATOM 0 HG23 VAL A 32 2.838 5.523 -6.362 1.00 0.28 H new ATOM 460 N ASN A 33 -1.136 8.670 -7.138 1.00 0.37 N ATOM 461 CA ASN A 33 -1.952 9.875 -7.077 1.00 0.47 C ATOM 462 C ASN A 33 -2.555 9.970 -5.689 1.00 0.40 C ATOM 463 O ASN A 33 -2.464 10.996 -5.019 1.00 0.67 O ATOM 464 CB ASN A 33 -3.107 9.826 -8.081 1.00 0.92 C ATOM 465 CG ASN A 33 -2.680 9.554 -9.509 1.00 0.77 C ATOM 466 OD1 ASN A 33 -2.032 10.380 -10.140 1.00 1.95 O ATOM 467 ND2 ASN A 33 -3.098 8.405 -10.026 1.00 0.81 N ATOM 0 H ASN A 33 -1.665 7.813 -7.299 1.00 0.37 H new ATOM 0 HA ASN A 33 -1.317 10.730 -7.311 1.00 0.47 H new ATOM 0 HB2 ASN A 33 -3.810 9.053 -7.771 1.00 0.92 H new ATOM 0 HB3 ASN A 33 -3.642 10.775 -8.048 1.00 0.92 H new ATOM 0 HD21 ASN A 33 -2.882 8.174 -10.996 1.00 0.81 H new ATOM 0 HD22 ASN A 33 -3.635 7.754 -9.454 1.00 0.81 H new ATOM 474 N GLN A 34 -3.226 8.889 -5.287 1.00 0.40 N ATOM 475 CA GLN A 34 -4.080 8.850 -4.121 1.00 0.48 C ATOM 476 C GLN A 34 -4.118 7.404 -3.642 1.00 0.47 C ATOM 477 O GLN A 34 -4.086 6.480 -4.444 1.00 0.88 O ATOM 478 CB GLN A 34 -5.461 9.429 -4.481 1.00 0.66 C ATOM 479 CG GLN A 34 -6.171 8.708 -5.636 1.00 1.51 C ATOM 480 CD GLN A 34 -6.973 9.660 -6.519 1.00 1.10 C ATOM 481 OE1 GLN A 34 -7.776 10.445 -6.029 1.00 1.29 O ATOM 482 NE2 GLN A 34 -6.766 9.605 -7.833 1.00 0.98 N ATOM 0 H GLN A 34 -3.183 7.999 -5.783 1.00 0.40 H new ATOM 0 HA GLN A 34 -3.707 9.466 -3.303 1.00 0.48 H new ATOM 0 HB2 GLN A 34 -6.099 9.390 -3.598 1.00 0.66 H new ATOM 0 HB3 GLN A 34 -5.343 10.480 -4.743 1.00 0.66 H new ATOM 0 HG2 GLN A 34 -5.431 8.190 -6.246 1.00 1.51 H new ATOM 0 HG3 GLN A 34 -6.838 7.947 -5.229 1.00 1.51 H new ATOM 0 HE21 GLN A 34 -6.092 8.942 -8.216 1.00 0.98 H new ATOM 0 HE22 GLN A 34 -7.282 10.226 -8.457 1.00 0.98 H new ATOM 491 N VAL A 35 -4.118 7.202 -2.332 1.00 0.41 N ATOM 492 CA VAL A 35 -4.004 5.913 -1.683 1.00 0.40 C ATOM 493 C VAL A 35 -5.091 5.822 -0.623 1.00 0.43 C ATOM 494 O VAL A 35 -5.328 6.777 0.114 1.00 0.56 O ATOM 495 CB VAL A 35 -2.587 5.760 -1.111 1.00 0.52 C ATOM 496 CG1 VAL A 35 -2.153 6.931 -0.214 1.00 1.32 C ATOM 497 CG2 VAL A 35 -2.436 4.432 -0.356 1.00 1.67 C ATOM 0 H VAL A 35 -4.202 7.970 -1.666 1.00 0.41 H new ATOM 0 HA VAL A 35 -4.150 5.090 -2.382 1.00 0.40 H new ATOM 0 HB VAL A 35 -1.921 5.765 -1.974 1.00 0.52 H new ATOM 0 HG11 VAL A 35 -1.142 6.753 0.153 1.00 1.32 H new ATOM 0 HG12 VAL A 35 -2.172 7.857 -0.789 1.00 1.32 H new ATOM 0 HG13 VAL A 35 -2.836 7.015 0.631 1.00 1.32 H new ATOM 0 HG21 VAL A 35 -1.423 4.351 0.038 1.00 1.67 H new ATOM 0 HG22 VAL A 35 -3.149 4.398 0.467 1.00 1.67 H new ATOM 0 HG23 VAL A 35 -2.628 3.603 -1.037 1.00 1.67 H new ATOM 507 N GLN A 36 -5.770 4.679 -0.573 1.00 0.46 N ATOM 508 CA GLN A 36 -6.854 4.402 0.338 1.00 0.61 C ATOM 509 C GLN A 36 -6.405 3.279 1.270 1.00 0.45 C ATOM 510 O GLN A 36 -6.681 2.099 1.050 1.00 0.54 O ATOM 511 CB GLN A 36 -8.077 4.061 -0.510 1.00 0.91 C ATOM 512 CG GLN A 36 -8.624 5.318 -1.196 1.00 1.16 C ATOM 513 CD GLN A 36 -9.001 5.057 -2.663 1.00 1.32 C ATOM 514 OE1 GLN A 36 -10.054 4.504 -2.990 1.00 1.95 O ATOM 515 NE2 GLN A 36 -8.100 5.420 -3.571 1.00 1.54 N ATOM 0 H GLN A 36 -5.565 3.896 -1.194 1.00 0.46 H new ATOM 0 HA GLN A 36 -7.123 5.246 0.973 1.00 0.61 H new ATOM 0 HB2 GLN A 36 -7.810 3.317 -1.261 1.00 0.91 H new ATOM 0 HB3 GLN A 36 -8.850 3.617 0.118 1.00 0.91 H new ATOM 0 HG2 GLN A 36 -9.500 5.674 -0.655 1.00 1.16 H new ATOM 0 HG3 GLN A 36 -7.877 6.110 -1.149 1.00 1.16 H new ATOM 0 HE21 GLN A 36 -7.236 5.876 -3.278 1.00 1.54 H new ATOM 0 HE22 GLN A 36 -8.273 5.242 -4.560 1.00 1.54 H new ATOM 524 N VAL A 37 -5.742 3.692 2.348 1.00 0.34 N ATOM 525 CA VAL A 37 -5.281 2.833 3.427 1.00 0.27 C ATOM 526 C VAL A 37 -6.411 2.728 4.450 1.00 0.27 C ATOM 527 O VAL A 37 -6.515 3.537 5.371 1.00 0.54 O ATOM 528 CB VAL A 37 -4.037 3.444 4.114 1.00 0.43 C ATOM 529 CG1 VAL A 37 -3.440 2.440 5.106 1.00 1.91 C ATOM 530 CG2 VAL A 37 -2.953 3.901 3.137 1.00 1.94 C ATOM 0 H VAL A 37 -5.504 4.673 2.496 1.00 0.34 H new ATOM 0 HA VAL A 37 -5.012 1.854 3.030 1.00 0.27 H new ATOM 0 HB VAL A 37 -4.387 4.337 4.632 1.00 0.43 H new ATOM 0 HG11 VAL A 37 -2.565 2.878 5.585 1.00 1.91 H new ATOM 0 HG12 VAL A 37 -4.183 2.192 5.864 1.00 1.91 H new ATOM 0 HG13 VAL A 37 -3.147 1.534 4.575 1.00 1.91 H new ATOM 0 HG21 VAL A 37 -2.114 4.318 3.694 1.00 1.94 H new ATOM 0 HG22 VAL A 37 -2.611 3.050 2.549 1.00 1.94 H new ATOM 0 HG23 VAL A 37 -3.360 4.662 2.471 1.00 1.94 H new ATOM 540 N LEU A 38 -7.253 1.700 4.325 1.00 0.41 N ATOM 541 CA LEU A 38 -8.382 1.538 5.197 1.00 0.45 C ATOM 542 C LEU A 38 -7.918 0.593 6.305 1.00 0.41 C ATOM 543 O LEU A 38 -8.265 -0.589 6.353 1.00 0.61 O ATOM 544 CB LEU A 38 -9.557 1.059 4.338 1.00 0.48 C ATOM 545 CG LEU A 38 -10.792 0.702 5.158 1.00 0.53 C ATOM 546 CD1 LEU A 38 -11.141 1.747 6.222 1.00 0.56 C ATOM 547 CD2 LEU A 38 -12.000 0.484 4.241 1.00 0.60 C ATOM 0 H LEU A 38 -7.159 0.971 3.618 1.00 0.41 H new ATOM 0 HA LEU A 38 -8.740 2.443 5.687 1.00 0.45 H new ATOM 0 HB2 LEU A 38 -9.817 1.838 3.622 1.00 0.48 H new ATOM 0 HB3 LEU A 38 -9.246 0.187 3.762 1.00 0.48 H new ATOM 0 HG LEU A 38 -10.546 -0.220 5.684 1.00 0.53 H new ATOM 0 HD11 LEU A 38 -12.030 1.428 6.767 1.00 0.56 H new ATOM 0 HD12 LEU A 38 -10.307 1.852 6.916 1.00 0.56 H new ATOM 0 HD13 LEU A 38 -11.335 2.706 5.741 1.00 0.56 H new ATOM 0 HD21 LEU A 38 -12.873 0.230 4.843 1.00 0.60 H new ATOM 0 HD22 LEU A 38 -12.200 1.397 3.679 1.00 0.60 H new ATOM 0 HD23 LEU A 38 -11.788 -0.330 3.548 1.00 0.60 H new ATOM 559 N PHE A 39 -7.096 1.155 7.200 1.00 0.89 N ATOM 560 CA PHE A 39 -6.702 0.511 8.445 1.00 1.10 C ATOM 561 C PHE A 39 -7.955 0.320 9.305 1.00 1.46 C ATOM 562 O PHE A 39 -8.306 1.159 10.130 1.00 2.57 O ATOM 563 CB PHE A 39 -5.573 1.288 9.147 1.00 1.91 C ATOM 564 CG PHE A 39 -5.304 0.883 10.578 1.00 0.80 C ATOM 565 CD1 PHE A 39 -5.396 -0.469 10.953 1.00 2.47 C ATOM 566 CD2 PHE A 39 -5.023 1.861 11.550 1.00 1.84 C ATOM 567 CE1 PHE A 39 -5.410 -0.814 12.308 1.00 3.36 C ATOM 568 CE2 PHE A 39 -4.929 1.495 12.903 1.00 2.47 C ATOM 569 CZ PHE A 39 -5.157 0.164 13.287 1.00 2.94 C ATOM 0 H PHE A 39 -6.685 2.080 7.072 1.00 0.89 H new ATOM 0 HA PHE A 39 -6.276 -0.473 8.251 1.00 1.10 H new ATOM 0 HB2 PHE A 39 -4.655 1.162 8.572 1.00 1.91 H new ATOM 0 HB3 PHE A 39 -5.818 2.350 9.127 1.00 1.91 H new ATOM 0 HD1 PHE A 39 -5.456 -1.238 10.197 1.00 2.47 H new ATOM 0 HD2 PHE A 39 -4.880 2.890 11.257 1.00 1.84 H new ATOM 0 HE1 PHE A 39 -5.615 -1.832 12.603 1.00 3.36 H new ATOM 0 HE2 PHE A 39 -4.681 2.237 13.647 1.00 2.47 H new ATOM 0 HZ PHE A 39 -5.138 -0.109 14.332 1.00 2.94 H new ATOM 579 N ALA A 40 -8.626 -0.797 9.030 1.00 1.46 N ATOM 580 CA ALA A 40 -9.862 -1.296 9.612 1.00 1.76 C ATOM 581 C ALA A 40 -10.297 -2.518 8.800 1.00 1.42 C ATOM 582 O ALA A 40 -10.714 -3.520 9.372 1.00 1.69 O ATOM 583 CB ALA A 40 -10.975 -0.242 9.602 1.00 2.32 C ATOM 0 H ALA A 40 -8.277 -1.439 8.319 1.00 1.46 H new ATOM 0 HA ALA A 40 -9.683 -1.554 10.656 1.00 1.76 H new ATOM 0 HB1 ALA A 40 -11.877 -0.662 10.047 1.00 2.32 H new ATOM 0 HB2 ALA A 40 -10.658 0.628 10.177 1.00 2.32 H new ATOM 0 HB3 ALA A 40 -11.182 0.058 8.575 1.00 2.32 H new ATOM 589 N THR A 41 -10.171 -2.438 7.468 1.00 1.02 N ATOM 590 CA THR A 41 -10.621 -3.480 6.548 1.00 0.75 C ATOM 591 C THR A 41 -9.453 -4.203 5.885 1.00 0.71 C ATOM 592 O THR A 41 -9.631 -4.803 4.828 1.00 1.11 O ATOM 593 CB THR A 41 -11.649 -2.902 5.560 1.00 0.78 C ATOM 594 OG1 THR A 41 -12.449 -1.959 6.249 1.00 0.99 O ATOM 595 CG2 THR A 41 -12.592 -3.964 4.976 1.00 1.16 C ATOM 0 H THR A 41 -9.748 -1.637 6.999 1.00 1.02 H new ATOM 0 HA THR A 41 -11.134 -4.258 7.114 1.00 0.75 H new ATOM 0 HB THR A 41 -11.087 -2.461 4.737 1.00 0.78 H new ATOM 0 HG1 THR A 41 -13.285 -1.817 5.757 1.00 0.99 H new ATOM 0 HG21 THR A 41 -13.292 -3.490 4.287 1.00 1.16 H new ATOM 0 HG22 THR A 41 -12.009 -4.714 4.442 1.00 1.16 H new ATOM 0 HG23 THR A 41 -13.146 -4.442 5.784 1.00 1.16 H new ATOM 603 N GLU A 42 -8.280 -4.168 6.531 1.00 0.50 N ATOM 604 CA GLU A 42 -7.068 -4.875 6.136 1.00 0.79 C ATOM 605 C GLU A 42 -6.886 -4.832 4.613 1.00 0.81 C ATOM 606 O GLU A 42 -6.616 -5.847 3.972 1.00 1.30 O ATOM 607 CB GLU A 42 -7.115 -6.294 6.734 1.00 1.22 C ATOM 608 CG GLU A 42 -5.720 -6.936 6.858 1.00 2.00 C ATOM 609 CD GLU A 42 -5.606 -7.932 8.012 1.00 3.16 C ATOM 610 OE1 GLU A 42 -6.163 -7.631 9.089 1.00 3.40 O ATOM 611 OE2 GLU A 42 -4.932 -8.966 7.807 1.00 4.56 O ATOM 0 H GLU A 42 -8.151 -3.619 7.381 1.00 0.50 H new ATOM 0 HA GLU A 42 -6.179 -4.387 6.535 1.00 0.79 H new ATOM 0 HB2 GLU A 42 -7.580 -6.253 7.719 1.00 1.22 H new ATOM 0 HB3 GLU A 42 -7.747 -6.926 6.109 1.00 1.22 H new ATOM 0 HG2 GLU A 42 -5.479 -7.445 5.925 1.00 2.00 H new ATOM 0 HG3 GLU A 42 -4.978 -6.149 6.993 1.00 2.00 H new ATOM 618 N LYS A 43 -7.075 -3.643 4.028 1.00 0.44 N ATOM 619 CA LYS A 43 -7.163 -3.458 2.603 1.00 0.48 C ATOM 620 C LYS A 43 -6.315 -2.248 2.364 1.00 0.38 C ATOM 621 O LYS A 43 -6.468 -1.230 3.048 1.00 0.48 O ATOM 622 CB LYS A 43 -8.616 -3.258 2.127 1.00 0.64 C ATOM 623 CG LYS A 43 -8.798 -2.579 0.759 1.00 1.22 C ATOM 624 CD LYS A 43 -8.916 -1.040 0.835 1.00 0.73 C ATOM 625 CE LYS A 43 -10.357 -0.554 1.036 1.00 0.72 C ATOM 626 NZ LYS A 43 -11.160 -0.639 -0.200 1.00 1.68 N ATOM 0 H LYS A 43 -7.171 -2.776 4.556 1.00 0.44 H new ATOM 0 HA LYS A 43 -6.825 -4.329 2.042 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -9.102 -4.233 2.092 1.00 0.64 H new ATOM 0 HB3 LYS A 43 -9.143 -2.666 2.875 1.00 0.64 H new ATOM 0 HG2 LYS A 43 -7.953 -2.838 0.121 1.00 1.22 H new ATOM 0 HG3 LYS A 43 -9.693 -2.979 0.282 1.00 1.22 H new ATOM 0 HD2 LYS A 43 -8.298 -0.675 1.655 1.00 0.73 H new ATOM 0 HD3 LYS A 43 -8.517 -0.606 -0.082 1.00 0.73 H new ATOM 0 HE2 LYS A 43 -10.832 -1.149 1.816 1.00 0.72 H new ATOM 0 HE3 LYS A 43 -10.343 0.478 1.386 1.00 0.72 H new ATOM 0 HZ1 LYS A 43 -12.125 -0.299 -0.011 1.00 1.68 H new ATOM 0 HZ2 LYS A 43 -10.724 -0.051 -0.938 1.00 1.68 H new ATOM 0 HZ3 LYS A 43 -11.198 -1.627 -0.522 1.00 1.68 H new ATOM 640 N LEU A 44 -5.462 -2.369 1.361 1.00 0.34 N ATOM 641 CA LEU A 44 -4.949 -1.240 0.681 1.00 0.53 C ATOM 642 C LEU A 44 -5.778 -1.013 -0.556 1.00 0.66 C ATOM 643 O LEU A 44 -6.166 -1.973 -1.206 1.00 0.82 O ATOM 644 CB LEU A 44 -3.518 -1.564 0.236 1.00 0.67 C ATOM 645 CG LEU A 44 -2.531 -0.746 1.030 1.00 0.73 C ATOM 646 CD1 LEU A 44 -1.228 -0.648 0.244 1.00 0.62 C ATOM 647 CD2 LEU A 44 -3.078 0.659 1.169 1.00 1.42 C ATOM 0 H LEU A 44 -5.118 -3.263 1.011 1.00 0.34 H new ATOM 0 HA LEU A 44 -4.970 -0.362 1.326 1.00 0.53 H new ATOM 0 HB2 LEU A 44 -3.317 -2.626 0.375 1.00 0.67 H new ATOM 0 HB3 LEU A 44 -3.403 -1.355 -0.828 1.00 0.67 H new ATOM 0 HG LEU A 44 -2.366 -1.207 2.004 1.00 0.73 H new ATOM 0 HD11 LEU A 44 -0.506 -0.058 0.809 1.00 0.62 H new ATOM 0 HD12 LEU A 44 -0.828 -1.648 0.077 1.00 0.62 H new ATOM 0 HD13 LEU A 44 -1.417 -0.168 -0.716 1.00 0.62 H new ATOM 0 HD21 LEU A 44 -2.377 1.267 1.741 1.00 1.42 H new ATOM 0 HD22 LEU A 44 -3.214 1.096 0.180 1.00 1.42 H new ATOM 0 HD23 LEU A 44 -4.037 0.627 1.686 1.00 1.42 H new ATOM 659 N VAL A 45 -5.986 0.249 -0.914 1.00 0.61 N ATOM 660 CA VAL A 45 -6.138 0.620 -2.300 1.00 0.55 C ATOM 661 C VAL A 45 -5.081 1.668 -2.636 1.00 0.46 C ATOM 662 O VAL A 45 -4.698 2.458 -1.778 1.00 0.51 O ATOM 663 CB VAL A 45 -7.584 1.034 -2.588 1.00 0.56 C ATOM 664 CG1 VAL A 45 -7.680 2.074 -3.706 1.00 0.71 C ATOM 665 CG2 VAL A 45 -8.357 -0.207 -3.012 1.00 0.83 C ATOM 0 H VAL A 45 -6.052 1.027 -0.257 1.00 0.61 H new ATOM 0 HA VAL A 45 -5.962 -0.224 -2.966 1.00 0.55 H new ATOM 0 HB VAL A 45 -7.996 1.481 -1.683 1.00 0.56 H new ATOM 0 HG11 VAL A 45 -8.725 2.334 -3.872 1.00 0.71 H new ATOM 0 HG12 VAL A 45 -7.124 2.967 -3.421 1.00 0.71 H new ATOM 0 HG13 VAL A 45 -7.259 1.662 -4.623 1.00 0.71 H new ATOM 0 HG21 VAL A 45 -9.392 0.063 -3.223 1.00 0.83 H new ATOM 0 HG22 VAL A 45 -7.903 -0.630 -3.908 1.00 0.83 H new ATOM 0 HG23 VAL A 45 -8.331 -0.944 -2.209 1.00 0.83 H new ATOM 675 N VAL A 46 -4.598 1.642 -3.873 1.00 0.54 N ATOM 676 CA VAL A 46 -3.537 2.462 -4.426 1.00 0.45 C ATOM 677 C VAL A 46 -4.045 2.916 -5.793 1.00 0.35 C ATOM 678 O VAL A 46 -4.129 2.093 -6.703 1.00 0.36 O ATOM 679 CB VAL A 46 -2.278 1.577 -4.517 1.00 0.79 C ATOM 680 CG1 VAL A 46 -1.147 2.138 -5.386 1.00 1.06 C ATOM 681 CG2 VAL A 46 -1.734 1.331 -3.107 1.00 0.83 C ATOM 0 H VAL A 46 -4.971 0.994 -4.567 1.00 0.54 H new ATOM 0 HA VAL A 46 -3.280 3.338 -3.830 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.604 0.658 -5.004 1.00 0.79 H new ATOM 0 HG11 VAL A 46 -0.308 1.442 -5.385 1.00 1.06 H new ATOM 0 HG12 VAL A 46 -1.505 2.273 -6.407 1.00 1.06 H new ATOM 0 HG13 VAL A 46 -0.822 3.098 -4.985 1.00 1.06 H new ATOM 0 HG21 VAL A 46 -0.843 0.705 -3.165 1.00 0.83 H new ATOM 0 HG22 VAL A 46 -1.479 2.284 -2.644 1.00 0.83 H new ATOM 0 HG23 VAL A 46 -2.492 0.828 -2.507 1.00 0.83 H new ATOM 691 N ASP A 47 -4.418 4.195 -5.921 1.00 0.41 N ATOM 692 CA ASP A 47 -4.859 4.800 -7.173 1.00 0.39 C ATOM 693 C ASP A 47 -3.677 5.580 -7.766 1.00 0.41 C ATOM 694 O ASP A 47 -3.261 6.618 -7.235 1.00 0.50 O ATOM 695 CB ASP A 47 -6.114 5.660 -6.953 1.00 0.50 C ATOM 696 CG ASP A 47 -7.422 4.901 -7.155 1.00 1.22 C ATOM 697 OD1 ASP A 47 -7.712 4.554 -8.318 1.00 2.27 O ATOM 698 OD2 ASP A 47 -8.143 4.711 -6.149 1.00 2.27 O ATOM 0 H ASP A 47 -4.420 4.848 -5.137 1.00 0.41 H new ATOM 0 HA ASP A 47 -5.158 4.037 -7.892 1.00 0.39 H new ATOM 0 HB2 ASP A 47 -6.092 6.066 -5.942 1.00 0.50 H new ATOM 0 HB3 ASP A 47 -6.087 6.508 -7.637 1.00 0.50 H new ATOM 703 N ALA A 48 -3.100 5.054 -8.851 1.00 0.38 N ATOM 704 CA ALA A 48 -1.824 5.500 -9.399 1.00 0.40 C ATOM 705 C ALA A 48 -1.857 5.511 -10.930 1.00 0.39 C ATOM 706 O ALA A 48 -2.549 4.701 -11.552 1.00 0.59 O ATOM 707 CB ALA A 48 -0.714 4.573 -8.896 1.00 0.47 C ATOM 0 H ALA A 48 -3.519 4.290 -9.381 1.00 0.38 H new ATOM 0 HA ALA A 48 -1.631 6.520 -9.066 1.00 0.40 H new ATOM 0 HB1 ALA A 48 0.244 4.899 -9.301 1.00 0.47 H new ATOM 0 HB2 ALA A 48 -0.678 4.606 -7.807 1.00 0.47 H new ATOM 0 HB3 ALA A 48 -0.917 3.553 -9.221 1.00 0.47 H new ATOM 713 N ASP A 49 -1.072 6.411 -11.524 1.00 0.39 N ATOM 714 CA ASP A 49 -0.980 6.621 -12.969 1.00 0.51 C ATOM 715 C ASP A 49 0.262 5.897 -13.495 1.00 0.58 C ATOM 716 O ASP A 49 1.152 6.518 -14.067 1.00 0.85 O ATOM 717 CB ASP A 49 -0.958 8.133 -13.296 1.00 0.71 C ATOM 718 CG ASP A 49 -2.340 8.764 -13.438 1.00 0.79 C ATOM 719 OD1 ASP A 49 -3.236 8.362 -12.667 1.00 1.76 O ATOM 720 OD2 ASP A 49 -2.488 9.640 -14.316 1.00 2.01 O ATOM 0 H ASP A 49 -0.463 7.034 -10.994 1.00 0.39 H new ATOM 0 HA ASP A 49 -1.857 6.206 -13.466 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -0.412 8.655 -12.510 1.00 0.71 H new ATOM 0 HB3 ASP A 49 -0.405 8.284 -14.223 1.00 0.71 H new ATOM 725 N ASN A 50 0.316 4.573 -13.293 1.00 0.43 N ATOM 726 CA ASN A 50 1.366 3.644 -13.742 1.00 0.50 C ATOM 727 C ASN A 50 1.325 2.367 -12.900 1.00 0.67 C ATOM 728 O ASN A 50 0.677 2.349 -11.851 1.00 1.78 O ATOM 729 CB ASN A 50 2.794 4.228 -13.702 1.00 0.49 C ATOM 730 CG ASN A 50 3.254 4.745 -12.337 1.00 0.53 C ATOM 731 OD1 ASN A 50 2.475 4.570 -11.269 1.00 1.33 O flip ATOM 732 ND2 ASN A 50 4.348 5.288 -12.225 1.00 0.64 N flip ATOM 0 H ASN A 50 -0.420 4.090 -12.778 1.00 0.43 H new ATOM 0 HA ASN A 50 1.146 3.436 -14.789 1.00 0.50 H new ATOM 0 HB2 ASN A 50 3.492 3.460 -14.035 1.00 0.49 H new ATOM 0 HB3 ASN A 50 2.854 5.046 -14.420 1.00 0.49 H new ATOM 0 HD21 ASN A 50 4.939 5.419 -13.046 1.00 0.64 H new ATOM 0 HD22 ASN A 50 4.667 5.609 -11.311 1.00 0.64 H new ATOM 739 N ASP A 51 2.021 1.321 -13.341 1.00 0.82 N ATOM 740 CA ASP A 51 2.138 0.007 -12.722 1.00 0.77 C ATOM 741 C ASP A 51 3.353 -0.051 -11.784 1.00 0.66 C ATOM 742 O ASP A 51 4.408 -0.572 -12.126 1.00 1.18 O ATOM 743 CB ASP A 51 2.215 -1.056 -13.834 1.00 1.01 C ATOM 744 CG ASP A 51 3.334 -0.819 -14.851 1.00 3.10 C ATOM 745 OD1 ASP A 51 3.470 0.350 -15.282 1.00 4.57 O ATOM 746 OD2 ASP A 51 3.995 -1.815 -15.212 1.00 4.18 O ATOM 0 H ASP A 51 2.558 1.377 -14.207 1.00 0.82 H new ATOM 0 HA ASP A 51 1.262 -0.193 -12.105 1.00 0.77 H new ATOM 0 HB2 ASP A 51 2.356 -2.035 -13.376 1.00 1.01 H new ATOM 0 HB3 ASP A 51 1.261 -1.085 -14.360 1.00 1.01 H new ATOM 751 N ILE A 52 3.187 0.450 -10.557 1.00 0.57 N ATOM 752 CA ILE A 52 4.246 0.513 -9.541 1.00 0.55 C ATOM 753 C ILE A 52 4.046 -0.512 -8.426 1.00 0.57 C ATOM 754 O ILE A 52 4.607 -0.390 -7.340 1.00 0.59 O ATOM 755 CB ILE A 52 4.315 1.931 -8.954 1.00 0.46 C ATOM 756 CG1 ILE A 52 2.948 2.482 -8.509 1.00 0.35 C ATOM 757 CG2 ILE A 52 4.957 2.854 -9.996 1.00 0.66 C ATOM 758 CD1 ILE A 52 2.169 1.678 -7.457 1.00 0.43 C ATOM 0 H ILE A 52 2.297 0.831 -10.234 1.00 0.57 H new ATOM 0 HA ILE A 52 5.188 0.269 -10.032 1.00 0.55 H new ATOM 0 HB ILE A 52 4.918 1.888 -8.047 1.00 0.46 H new ATOM 0 HG12 ILE A 52 3.102 3.488 -8.118 1.00 0.35 H new ATOM 0 HG13 ILE A 52 2.319 2.577 -9.394 1.00 0.35 H new ATOM 0 HG21 ILE A 52 5.015 3.867 -9.598 1.00 0.66 H new ATOM 0 HG22 ILE A 52 5.960 2.497 -10.229 1.00 0.66 H new ATOM 0 HG23 ILE A 52 4.353 2.855 -10.903 1.00 0.66 H new ATOM 0 HD11 ILE A 52 1.227 2.181 -7.239 1.00 0.43 H new ATOM 0 HD12 ILE A 52 1.966 0.678 -7.840 1.00 0.43 H new ATOM 0 HD13 ILE A 52 2.761 1.603 -6.545 1.00 0.43 H new ATOM 770 N ARG A 53 3.211 -1.519 -8.646 1.00 0.57 N ATOM 771 CA ARG A 53 2.669 -2.265 -7.516 1.00 0.61 C ATOM 772 C ARG A 53 3.736 -3.103 -6.859 1.00 0.46 C ATOM 773 O ARG A 53 3.834 -3.122 -5.644 1.00 0.46 O ATOM 774 CB ARG A 53 1.557 -3.204 -7.912 1.00 0.67 C ATOM 775 CG ARG A 53 0.520 -2.467 -8.728 1.00 0.78 C ATOM 776 CD ARG A 53 -0.638 -3.362 -9.152 1.00 0.81 C ATOM 777 NE ARG A 53 -1.223 -4.329 -8.205 1.00 1.48 N ATOM 778 CZ ARG A 53 -0.766 -5.551 -7.900 1.00 2.13 C ATOM 779 NH1 ARG A 53 0.410 -5.969 -8.362 1.00 3.13 N ATOM 780 NH2 ARG A 53 -1.452 -6.365 -7.096 1.00 3.09 N ATOM 0 H ARG A 53 2.901 -1.832 -9.566 1.00 0.57 H new ATOM 0 HA ARG A 53 2.281 -1.509 -6.834 1.00 0.61 H new ATOM 0 HB2 ARG A 53 1.961 -4.036 -8.489 1.00 0.67 H new ATOM 0 HB3 ARG A 53 1.095 -3.629 -7.021 1.00 0.67 H new ATOM 0 HG2 ARG A 53 0.133 -1.630 -8.146 1.00 0.78 H new ATOM 0 HG3 ARG A 53 0.993 -2.047 -9.615 1.00 0.78 H new ATOM 0 HD2 ARG A 53 -1.445 -2.708 -9.484 1.00 0.81 H new ATOM 0 HD3 ARG A 53 -0.306 -3.926 -10.024 1.00 0.81 H new ATOM 0 HE ARG A 53 -2.074 -4.033 -7.727 1.00 1.48 H new ATOM 0 HH11 ARG A 53 0.972 -5.357 -8.954 1.00 3.13 H new ATOM 0 HH12 ARG A 53 0.749 -6.901 -8.124 1.00 3.13 H new ATOM 0 HH21 ARG A 53 -2.342 -6.061 -6.701 1.00 3.09 H new ATOM 0 HH22 ARG A 53 -1.087 -7.292 -6.876 1.00 3.09 H new ATOM 794 N ALA A 54 4.544 -3.785 -7.664 1.00 0.35 N ATOM 795 CA ALA A 54 5.679 -4.512 -7.135 1.00 0.26 C ATOM 796 C ALA A 54 6.657 -3.533 -6.467 1.00 0.31 C ATOM 797 O ALA A 54 7.384 -3.894 -5.540 1.00 0.34 O ATOM 798 CB ALA A 54 6.290 -5.363 -8.246 1.00 0.37 C ATOM 0 H ALA A 54 4.431 -3.846 -8.676 1.00 0.35 H new ATOM 0 HA ALA A 54 5.378 -5.206 -6.350 1.00 0.26 H new ATOM 0 HB1 ALA A 54 7.145 -5.913 -7.854 1.00 0.37 H new ATOM 0 HB2 ALA A 54 5.545 -6.067 -8.617 1.00 0.37 H new ATOM 0 HB3 ALA A 54 6.616 -4.717 -9.061 1.00 0.37 H new ATOM 804 N GLN A 55 6.637 -2.251 -6.871 1.00 0.36 N ATOM 805 CA GLN A 55 7.449 -1.252 -6.199 1.00 0.37 C ATOM 806 C GLN A 55 6.857 -1.010 -4.809 1.00 0.35 C ATOM 807 O GLN A 55 7.586 -0.932 -3.819 1.00 0.36 O ATOM 808 CB GLN A 55 7.531 0.015 -7.070 1.00 0.37 C ATOM 809 CG GLN A 55 8.927 0.661 -7.098 1.00 0.50 C ATOM 810 CD GLN A 55 9.423 0.861 -8.529 1.00 1.11 C ATOM 811 OE1 GLN A 55 10.417 0.273 -8.937 1.00 2.52 O ATOM 812 NE2 GLN A 55 8.727 1.683 -9.310 1.00 0.98 N ATOM 0 H GLN A 55 6.075 -1.898 -7.646 1.00 0.36 H new ATOM 0 HA GLN A 55 8.476 -1.589 -6.061 1.00 0.37 H new ATOM 0 HB2 GLN A 55 7.237 -0.236 -8.089 1.00 0.37 H new ATOM 0 HB3 GLN A 55 6.811 0.745 -6.701 1.00 0.37 H new ATOM 0 HG2 GLN A 55 8.894 1.622 -6.585 1.00 0.50 H new ATOM 0 HG3 GLN A 55 9.631 0.033 -6.552 1.00 0.50 H new ATOM 0 HE21 GLN A 55 7.903 2.159 -8.943 1.00 0.98 H new ATOM 0 HE22 GLN A 55 9.017 1.837 -10.276 1.00 0.98 H new ATOM 821 N VAL A 56 5.521 -0.954 -4.735 1.00 0.34 N ATOM 822 CA VAL A 56 4.792 -0.861 -3.493 1.00 0.34 C ATOM 823 C VAL A 56 5.165 -2.049 -2.615 1.00 0.45 C ATOM 824 O VAL A 56 5.549 -1.890 -1.458 1.00 0.42 O ATOM 825 CB VAL A 56 3.263 -0.800 -3.783 1.00 0.51 C ATOM 826 CG1 VAL A 56 2.373 -1.828 -3.061 1.00 1.65 C ATOM 827 CG2 VAL A 56 2.812 0.597 -3.393 1.00 1.03 C ATOM 0 H VAL A 56 4.919 -0.973 -5.558 1.00 0.34 H new ATOM 0 HA VAL A 56 5.055 0.052 -2.959 1.00 0.34 H new ATOM 0 HB VAL A 56 3.140 -1.046 -4.838 1.00 0.51 H new ATOM 0 HG11 VAL A 56 1.333 -1.676 -3.351 1.00 1.65 H new ATOM 0 HG12 VAL A 56 2.683 -2.836 -3.337 1.00 1.65 H new ATOM 0 HG13 VAL A 56 2.472 -1.701 -1.983 1.00 1.65 H new ATOM 0 HG21 VAL A 56 1.742 0.698 -3.576 1.00 1.03 H new ATOM 0 HG22 VAL A 56 3.017 0.763 -2.335 1.00 1.03 H new ATOM 0 HG23 VAL A 56 3.353 1.333 -3.988 1.00 1.03 H new ATOM 837 N GLU A 57 4.972 -3.249 -3.157 1.00 0.53 N ATOM 838 CA GLU A 57 5.008 -4.480 -2.408 1.00 0.34 C ATOM 839 C GLU A 57 6.379 -4.597 -1.775 1.00 0.37 C ATOM 840 O GLU A 57 6.460 -4.748 -0.561 1.00 0.40 O ATOM 841 CB GLU A 57 4.529 -5.657 -3.276 1.00 0.28 C ATOM 842 CG GLU A 57 5.266 -6.991 -3.081 1.00 0.54 C ATOM 843 CD GLU A 57 6.637 -7.048 -3.747 1.00 2.07 C ATOM 844 OE1 GLU A 57 6.694 -6.753 -4.958 1.00 3.11 O ATOM 845 OE2 GLU A 57 7.606 -7.360 -3.023 1.00 3.26 O ATOM 0 H GLU A 57 4.783 -3.384 -4.150 1.00 0.53 H new ATOM 0 HA GLU A 57 4.300 -4.495 -1.579 1.00 0.34 H new ATOM 0 HB2 GLU A 57 3.470 -5.819 -3.078 1.00 0.28 H new ATOM 0 HB3 GLU A 57 4.617 -5.368 -4.323 1.00 0.28 H new ATOM 0 HG2 GLU A 57 5.385 -7.176 -2.013 1.00 0.54 H new ATOM 0 HG3 GLU A 57 4.648 -7.797 -3.477 1.00 0.54 H new ATOM 852 N SER A 58 7.437 -4.395 -2.564 1.00 0.35 N ATOM 853 CA SER A 58 8.789 -4.410 -2.036 1.00 0.38 C ATOM 854 C SER A 58 8.896 -3.475 -0.822 1.00 0.36 C ATOM 855 O SER A 58 9.387 -3.874 0.233 1.00 0.40 O ATOM 856 CB SER A 58 9.778 -4.052 -3.153 1.00 0.44 C ATOM 857 OG SER A 58 11.085 -4.467 -2.796 1.00 0.74 O ATOM 0 H SER A 58 7.376 -4.220 -3.567 1.00 0.35 H new ATOM 0 HA SER A 58 9.044 -5.409 -1.683 1.00 0.38 H new ATOM 0 HB2 SER A 58 9.477 -4.532 -4.084 1.00 0.44 H new ATOM 0 HB3 SER A 58 9.765 -2.977 -3.330 1.00 0.44 H new ATOM 0 HG SER A 58 11.682 -4.369 -3.567 1.00 0.74 H new ATOM 863 N ALA A 59 8.408 -2.237 -0.958 1.00 0.36 N ATOM 864 CA ALA A 59 8.448 -1.244 0.106 1.00 0.36 C ATOM 865 C ALA A 59 7.697 -1.708 1.357 1.00 0.30 C ATOM 866 O ALA A 59 8.255 -1.676 2.449 1.00 0.37 O ATOM 867 CB ALA A 59 7.884 0.086 -0.392 1.00 0.38 C ATOM 0 H ALA A 59 7.973 -1.900 -1.817 1.00 0.36 H new ATOM 0 HA ALA A 59 9.492 -1.109 0.388 1.00 0.36 H new ATOM 0 HB1 ALA A 59 7.919 0.820 0.413 1.00 0.38 H new ATOM 0 HB2 ALA A 59 8.479 0.441 -1.234 1.00 0.38 H new ATOM 0 HB3 ALA A 59 6.851 -0.053 -0.711 1.00 0.38 H new ATOM 873 N LEU A 60 6.436 -2.123 1.219 1.00 0.21 N ATOM 874 CA LEU A 60 5.612 -2.566 2.339 1.00 0.20 C ATOM 875 C LEU A 60 6.250 -3.781 3.016 1.00 0.21 C ATOM 876 O LEU A 60 6.323 -3.870 4.243 1.00 0.24 O ATOM 877 CB LEU A 60 4.204 -2.909 1.829 1.00 0.19 C ATOM 878 CG LEU A 60 3.288 -1.681 1.722 1.00 0.35 C ATOM 879 CD1 LEU A 60 2.553 -1.633 0.388 1.00 1.01 C ATOM 880 CD2 LEU A 60 2.251 -1.705 2.840 1.00 1.12 C ATOM 0 H LEU A 60 5.957 -2.160 0.319 1.00 0.21 H new ATOM 0 HA LEU A 60 5.539 -1.766 3.076 1.00 0.20 H new ATOM 0 HB2 LEU A 60 4.284 -3.382 0.850 1.00 0.19 H new ATOM 0 HB3 LEU A 60 3.748 -3.638 2.499 1.00 0.19 H new ATOM 0 HG LEU A 60 3.924 -0.800 1.804 1.00 0.35 H new ATOM 0 HD11 LEU A 60 1.916 -0.749 0.355 1.00 1.01 H new ATOM 0 HD12 LEU A 60 3.277 -1.589 -0.425 1.00 1.01 H new ATOM 0 HD13 LEU A 60 1.939 -2.527 0.279 1.00 1.01 H new ATOM 0 HD21 LEU A 60 1.606 -0.831 2.757 1.00 1.12 H new ATOM 0 HD22 LEU A 60 1.649 -2.610 2.758 1.00 1.12 H new ATOM 0 HD23 LEU A 60 2.757 -1.692 3.806 1.00 1.12 H new ATOM 892 N GLN A 61 6.718 -4.729 2.208 1.00 0.23 N ATOM 893 CA GLN A 61 7.327 -5.939 2.731 1.00 0.40 C ATOM 894 C GLN A 61 8.552 -5.564 3.550 1.00 0.45 C ATOM 895 O GLN A 61 8.684 -5.990 4.694 1.00 0.49 O ATOM 896 CB GLN A 61 7.667 -6.915 1.597 1.00 0.57 C ATOM 897 CG GLN A 61 7.190 -8.335 1.920 1.00 0.76 C ATOM 898 CD GLN A 61 7.052 -9.172 0.656 1.00 1.05 C ATOM 899 OE1 GLN A 61 7.945 -9.932 0.300 1.00 2.27 O ATOM 900 NE2 GLN A 61 5.912 -9.039 -0.017 1.00 0.72 N ATOM 0 H GLN A 61 6.685 -4.678 1.190 1.00 0.23 H new ATOM 0 HA GLN A 61 6.621 -6.454 3.382 1.00 0.40 H new ATOM 0 HB2 GLN A 61 7.203 -6.575 0.671 1.00 0.57 H new ATOM 0 HB3 GLN A 61 8.744 -6.920 1.430 1.00 0.57 H new ATOM 0 HG2 GLN A 61 7.896 -8.812 2.600 1.00 0.76 H new ATOM 0 HG3 GLN A 61 6.231 -8.290 2.436 1.00 0.76 H new ATOM 0 HE21 GLN A 61 5.195 -8.394 0.316 1.00 0.72 H new ATOM 0 HE22 GLN A 61 5.755 -9.582 -0.866 1.00 0.72 H new ATOM 909 N LYS A 62 9.421 -4.726 2.975 1.00 0.47 N ATOM 910 CA LYS A 62 10.612 -4.266 3.668 1.00 0.55 C ATOM 911 C LYS A 62 10.249 -3.500 4.944 1.00 0.51 C ATOM 912 O LYS A 62 10.874 -3.699 5.982 1.00 0.62 O ATOM 913 CB LYS A 62 11.459 -3.398 2.733 1.00 0.62 C ATOM 914 CG LYS A 62 12.147 -4.259 1.670 1.00 2.41 C ATOM 915 CD LYS A 62 12.611 -3.370 0.513 1.00 3.20 C ATOM 916 CE LYS A 62 13.416 -4.194 -0.502 1.00 5.22 C ATOM 917 NZ LYS A 62 13.410 -3.578 -1.844 1.00 6.61 N ATOM 0 H LYS A 62 9.315 -4.357 2.030 1.00 0.47 H new ATOM 0 HA LYS A 62 11.197 -5.137 3.964 1.00 0.55 H new ATOM 0 HB2 LYS A 62 10.828 -2.651 2.251 1.00 0.62 H new ATOM 0 HB3 LYS A 62 12.208 -2.857 3.311 1.00 0.62 H new ATOM 0 HG2 LYS A 62 12.999 -4.781 2.106 1.00 2.41 H new ATOM 0 HG3 LYS A 62 11.459 -5.021 1.304 1.00 2.41 H new ATOM 0 HD2 LYS A 62 11.748 -2.919 0.023 1.00 3.20 H new ATOM 0 HD3 LYS A 62 13.223 -2.553 0.896 1.00 3.20 H new ATOM 0 HE2 LYS A 62 14.444 -4.294 -0.154 1.00 5.22 H new ATOM 0 HE3 LYS A 62 13.001 -5.200 -0.563 1.00 5.22 H new ATOM 0 HZ1 LYS A 62 14.006 -4.139 -2.486 1.00 6.61 H new ATOM 0 HZ2 LYS A 62 12.437 -3.552 -2.210 1.00 6.61 H new ATOM 0 HZ3 LYS A 62 13.783 -2.609 -1.783 1.00 6.61 H new ATOM 931 N ALA A 63 9.247 -2.618 4.860 1.00 0.43 N ATOM 932 CA ALA A 63 8.731 -1.866 5.998 1.00 0.45 C ATOM 933 C ALA A 63 8.348 -2.808 7.140 1.00 0.45 C ATOM 934 O ALA A 63 8.616 -2.506 8.300 1.00 0.60 O ATOM 935 CB ALA A 63 7.537 -1.002 5.579 1.00 0.45 C ATOM 0 H ALA A 63 8.768 -2.407 3.985 1.00 0.43 H new ATOM 0 HA ALA A 63 9.519 -1.204 6.356 1.00 0.45 H new ATOM 0 HB1 ALA A 63 7.167 -0.449 6.443 1.00 0.45 H new ATOM 0 HB2 ALA A 63 7.849 -0.300 4.806 1.00 0.45 H new ATOM 0 HB3 ALA A 63 6.744 -1.641 5.190 1.00 0.45 H new ATOM 941 N GLY A 64 7.739 -3.946 6.798 1.00 0.38 N ATOM 942 CA GLY A 64 7.546 -5.060 7.716 1.00 0.42 C ATOM 943 C GLY A 64 6.094 -5.506 7.722 1.00 0.40 C ATOM 944 O GLY A 64 5.464 -5.554 8.777 1.00 0.49 O ATOM 0 H GLY A 64 7.364 -4.117 5.865 1.00 0.38 H new ATOM 0 HA2 GLY A 64 8.186 -5.893 7.425 1.00 0.42 H new ATOM 0 HA3 GLY A 64 7.845 -4.765 8.722 1.00 0.42 H new ATOM 948 N TYR A 65 5.564 -5.841 6.544 1.00 0.41 N ATOM 949 CA TYR A 65 4.207 -6.345 6.392 1.00 0.41 C ATOM 950 C TYR A 65 4.204 -7.603 5.533 1.00 0.54 C ATOM 951 O TYR A 65 5.198 -7.924 4.883 1.00 1.15 O ATOM 952 CB TYR A 65 3.327 -5.260 5.766 1.00 0.54 C ATOM 953 CG TYR A 65 3.266 -3.970 6.560 1.00 0.56 C ATOM 954 CD1 TYR A 65 2.773 -3.980 7.876 1.00 1.76 C ATOM 955 CD2 TYR A 65 3.704 -2.760 5.995 1.00 1.83 C ATOM 956 CE1 TYR A 65 2.647 -2.776 8.586 1.00 1.88 C ATOM 957 CE2 TYR A 65 3.479 -1.544 6.663 1.00 1.92 C ATOM 958 CZ TYR A 65 2.918 -1.555 7.950 1.00 1.09 C ATOM 959 OH TYR A 65 2.631 -0.393 8.600 1.00 1.57 O ATOM 0 H TYR A 65 6.073 -5.768 5.663 1.00 0.41 H new ATOM 0 HA TYR A 65 3.806 -6.604 7.372 1.00 0.41 H new ATOM 0 HB2 TYR A 65 3.699 -5.040 4.765 1.00 0.54 H new ATOM 0 HB3 TYR A 65 2.316 -5.650 5.651 1.00 0.54 H new ATOM 0 HD1 TYR A 65 2.491 -4.913 8.341 1.00 1.76 H new ATOM 0 HD2 TYR A 65 4.215 -2.765 5.044 1.00 1.83 H new ATOM 0 HE1 TYR A 65 2.341 -2.789 9.622 1.00 1.88 H new ATOM 0 HE2 TYR A 65 3.736 -0.608 6.190 1.00 1.92 H new ATOM 0 HH TYR A 65 2.447 0.312 7.944 1.00 1.57 H new ATOM 969 N SER A 66 3.063 -8.293 5.511 1.00 0.50 N ATOM 970 CA SER A 66 2.774 -9.360 4.581 1.00 0.55 C ATOM 971 C SER A 66 1.574 -8.891 3.766 1.00 0.42 C ATOM 972 O SER A 66 0.641 -8.307 4.321 1.00 0.65 O ATOM 973 CB SER A 66 2.511 -10.665 5.341 1.00 0.77 C ATOM 974 OG SER A 66 1.404 -10.566 6.218 1.00 2.35 O ATOM 0 H SER A 66 2.299 -8.112 6.162 1.00 0.50 H new ATOM 0 HA SER A 66 3.610 -9.575 3.915 1.00 0.55 H new ATOM 0 HB2 SER A 66 2.334 -11.469 4.626 1.00 0.77 H new ATOM 0 HB3 SER A 66 3.400 -10.935 5.911 1.00 0.77 H new ATOM 0 HG SER A 66 1.522 -9.792 6.807 1.00 2.35 H new ATOM 980 N LEU A 67 1.635 -9.095 2.451 1.00 0.51 N ATOM 981 CA LEU A 67 0.585 -8.795 1.511 1.00 0.40 C ATOM 982 C LEU A 67 0.580 -9.921 0.501 1.00 0.48 C ATOM 983 O LEU A 67 1.549 -10.676 0.419 1.00 0.51 O ATOM 984 CB LEU A 67 0.824 -7.436 0.844 1.00 0.47 C ATOM 985 CG LEU A 67 2.207 -7.269 0.184 1.00 0.78 C ATOM 986 CD1 LEU A 67 2.223 -7.691 -1.288 1.00 1.01 C ATOM 987 CD2 LEU A 67 2.681 -5.823 0.322 1.00 1.28 C ATOM 0 H LEU A 67 2.461 -9.493 2.003 1.00 0.51 H new ATOM 0 HA LEU A 67 -0.383 -8.723 2.006 1.00 0.40 H new ATOM 0 HB2 LEU A 67 0.056 -7.279 0.087 1.00 0.47 H new ATOM 0 HB3 LEU A 67 0.698 -6.654 1.592 1.00 0.47 H new ATOM 0 HG LEU A 67 2.891 -7.936 0.709 1.00 0.78 H new ATOM 0 HD11 LEU A 67 3.224 -7.550 -1.696 1.00 1.01 H new ATOM 0 HD12 LEU A 67 1.943 -8.741 -1.368 1.00 1.01 H new ATOM 0 HD13 LEU A 67 1.514 -7.082 -1.849 1.00 1.01 H new ATOM 0 HD21 LEU A 67 3.659 -5.714 -0.147 1.00 1.28 H new ATOM 0 HD22 LEU A 67 1.968 -5.158 -0.166 1.00 1.28 H new ATOM 0 HD23 LEU A 67 2.754 -5.563 1.378 1.00 1.28 H new ATOM 999 N ARG A 68 -0.493 -10.006 -0.279 1.00 0.58 N ATOM 1000 CA ARG A 68 -0.537 -10.818 -1.472 1.00 0.67 C ATOM 1001 C ARG A 68 -1.199 -9.931 -2.508 1.00 0.78 C ATOM 1002 O ARG A 68 -2.247 -9.355 -2.215 1.00 1.03 O ATOM 1003 CB ARG A 68 -1.331 -12.109 -1.251 1.00 0.77 C ATOM 1004 CG ARG A 68 -0.812 -12.903 -0.046 1.00 0.62 C ATOM 1005 CD ARG A 68 -1.068 -14.405 -0.214 1.00 1.12 C ATOM 1006 NE ARG A 68 -0.853 -15.133 1.049 1.00 1.80 N ATOM 1007 CZ ARG A 68 -1.779 -15.317 2.006 1.00 3.33 C ATOM 1008 NH1 ARG A 68 -2.994 -14.777 1.864 1.00 4.43 N ATOM 1009 NH2 ARG A 68 -1.490 -16.036 3.095 1.00 4.33 N ATOM 0 H ARG A 68 -1.361 -9.505 -0.091 1.00 0.58 H new ATOM 0 HA ARG A 68 0.456 -11.145 -1.780 1.00 0.67 H new ATOM 0 HB2 ARG A 68 -2.383 -11.866 -1.100 1.00 0.77 H new ATOM 0 HB3 ARG A 68 -1.272 -12.728 -2.146 1.00 0.77 H new ATOM 0 HG2 ARG A 68 0.257 -12.726 0.076 1.00 0.62 H new ATOM 0 HG3 ARG A 68 -1.299 -12.549 0.862 1.00 0.62 H new ATOM 0 HD2 ARG A 68 -2.090 -14.565 -0.558 1.00 1.12 H new ATOM 0 HD3 ARG A 68 -0.406 -14.804 -0.983 1.00 1.12 H new ATOM 0 HE ARG A 68 0.073 -15.529 1.210 1.00 1.80 H new ATOM 0 HH11 ARG A 68 -3.214 -14.229 1.033 1.00 4.43 H new ATOM 0 HH12 ARG A 68 -3.700 -14.913 2.587 1.00 4.43 H new ATOM 0 HH21 ARG A 68 -0.563 -16.448 3.203 1.00 4.33 H new ATOM 0 HH22 ARG A 68 -2.196 -16.173 3.818 1.00 4.33 H new ATOM 1023 N ASP A 69 -0.543 -9.772 -3.656 1.00 0.73 N ATOM 1024 CA ASP A 69 -1.016 -9.008 -4.787 1.00 0.83 C ATOM 1025 C ASP A 69 -2.492 -9.236 -5.048 1.00 0.73 C ATOM 1026 O ASP A 69 -2.903 -10.300 -5.505 1.00 1.02 O ATOM 1027 CB ASP A 69 -0.135 -9.288 -6.005 1.00 1.11 C ATOM 1028 CG ASP A 69 1.083 -8.410 -5.903 1.00 1.80 C ATOM 1029 OD1 ASP A 69 0.862 -7.204 -6.161 1.00 3.01 O ATOM 1030 OD2 ASP A 69 2.149 -8.919 -5.514 1.00 3.18 O ATOM 0 H ASP A 69 0.371 -10.194 -3.821 1.00 0.73 H new ATOM 0 HA ASP A 69 -0.930 -7.946 -4.558 1.00 0.83 H new ATOM 0 HB2 ASP A 69 0.153 -10.339 -6.035 1.00 1.11 H new ATOM 0 HB3 ASP A 69 -0.679 -9.081 -6.926 1.00 1.11 H new ATOM 1035 N GLU A 70 -3.268 -8.204 -4.724 1.00 0.52 N ATOM 1036 CA GLU A 70 -4.702 -8.190 -4.873 1.00 0.61 C ATOM 1037 C GLU A 70 -5.010 -7.538 -6.220 1.00 0.71 C ATOM 1038 O GLU A 70 -4.111 -7.034 -6.909 1.00 0.68 O ATOM 1039 CB GLU A 70 -5.298 -7.444 -3.670 1.00 0.76 C ATOM 1040 CG GLU A 70 -6.302 -8.258 -2.857 1.00 0.88 C ATOM 1041 CD GLU A 70 -7.619 -8.423 -3.572 1.00 1.31 C ATOM 1042 OE1 GLU A 70 -7.907 -7.581 -4.444 1.00 2.30 O ATOM 1043 OE2 GLU A 70 -8.308 -9.415 -3.238 1.00 2.20 O ATOM 0 H GLU A 70 -2.896 -7.335 -4.341 1.00 0.52 H new ATOM 0 HA GLU A 70 -5.148 -9.185 -4.878 1.00 0.61 H new ATOM 0 HB2 GLU A 70 -4.486 -7.131 -3.014 1.00 0.76 H new ATOM 0 HB3 GLU A 70 -5.787 -6.537 -4.026 1.00 0.76 H new ATOM 0 HG2 GLU A 70 -5.881 -9.241 -2.644 1.00 0.88 H new ATOM 0 HG3 GLU A 70 -6.471 -7.769 -1.898 1.00 0.88 H new ATOM 1050 N GLN A 71 -6.284 -7.596 -6.599 1.00 0.97 N ATOM 1051 CA GLN A 71 -6.743 -7.282 -7.935 1.00 0.82 C ATOM 1052 C GLN A 71 -6.509 -5.804 -8.249 1.00 0.61 C ATOM 1053 O GLN A 71 -6.415 -4.949 -7.362 1.00 0.83 O ATOM 1054 CB GLN A 71 -8.224 -7.664 -8.105 1.00 1.14 C ATOM 1055 CG GLN A 71 -8.477 -9.183 -8.099 1.00 1.69 C ATOM 1056 CD GLN A 71 -8.383 -9.809 -6.712 1.00 3.06 C ATOM 1057 OE1 GLN A 71 -7.472 -10.582 -6.433 1.00 4.41 O ATOM 1058 NE2 GLN A 71 -9.318 -9.470 -5.831 1.00 3.61 N ATOM 0 H GLN A 71 -7.036 -7.869 -5.967 1.00 0.97 H new ATOM 0 HA GLN A 71 -6.165 -7.870 -8.648 1.00 0.82 H new ATOM 0 HB2 GLN A 71 -8.803 -7.205 -7.303 1.00 1.14 H new ATOM 0 HB3 GLN A 71 -8.592 -7.247 -9.042 1.00 1.14 H new ATOM 0 HG2 GLN A 71 -9.466 -9.380 -8.512 1.00 1.69 H new ATOM 0 HG3 GLN A 71 -7.755 -9.666 -8.757 1.00 1.69 H new ATOM 0 HE21 GLN A 71 -10.061 -8.824 -6.099 1.00 3.61 H new ATOM 0 HE22 GLN A 71 -9.293 -9.856 -4.887 1.00 3.61 H new