USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 503 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0925 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -2.23! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0133 K(o=-0.013,f=-1.1) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -76:sc= 0.317 USER MOD Single : A 36 ASN : amide:sc= -0.179 K(o=-0.18,f=-0.71) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 59 ASN : amide:sc=-0.00284 K(o=-0.0028,f=-0.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 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 12.725 -18.654 7.596 1.00 0.00 N ATOM 2 CA GLY A 1 12.769 -17.303 8.123 1.00 0.00 C ATOM 3 C GLY A 1 11.399 -16.788 8.516 1.00 0.00 C ATOM 4 O GLY A 1 10.449 -16.874 7.737 1.00 0.00 O ATOM 0 H1 GLY A 1 13.686 -18.959 7.342 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.337 -19.295 8.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.120 -18.677 6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.426 -17.277 8.992 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.202 -16.639 7.375 1.00 0.00 H new ATOM 8 N SER A 2 11.294 -16.254 9.728 1.00 0.00 N ATOM 9 CA SER A 2 10.027 -15.729 10.225 1.00 0.00 C ATOM 10 C SER A 2 9.305 -14.936 9.140 1.00 0.00 C ATOM 11 O SER A 2 8.101 -15.096 8.937 1.00 0.00 O ATOM 12 CB SER A 2 10.264 -14.841 11.449 1.00 0.00 C ATOM 13 OG SER A 2 10.980 -13.670 11.099 1.00 0.00 O ATOM 0 H SER A 2 12.071 -16.173 10.384 1.00 0.00 H new ATOM 0 HA SER A 2 9.400 -16.573 10.513 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.307 -14.567 11.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.819 -15.398 12.204 1.00 0.00 H new ATOM 0 HG SER A 2 11.117 -13.119 11.898 1.00 0.00 H new ATOM 19 N SER A 3 10.049 -14.080 8.447 1.00 0.00 N ATOM 20 CA SER A 3 9.479 -13.259 7.385 1.00 0.00 C ATOM 21 C SER A 3 10.153 -13.556 6.048 1.00 0.00 C ATOM 22 O SER A 3 11.336 -13.891 5.997 1.00 0.00 O ATOM 23 CB SER A 3 9.627 -11.775 7.724 1.00 0.00 C ATOM 24 OG SER A 3 9.228 -10.960 6.635 1.00 0.00 O ATOM 0 H SER A 3 11.047 -13.937 8.602 1.00 0.00 H new ATOM 0 HA SER A 3 8.420 -13.502 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.024 -11.537 8.600 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.664 -11.560 7.983 1.00 0.00 H new ATOM 0 HG SER A 3 9.331 -10.016 6.878 1.00 0.00 H new ATOM 30 N GLY A 4 9.389 -13.430 4.967 1.00 0.00 N ATOM 31 CA GLY A 4 9.928 -13.688 3.644 1.00 0.00 C ATOM 32 C GLY A 4 9.223 -12.891 2.565 1.00 0.00 C ATOM 33 O GLY A 4 8.969 -13.400 1.474 1.00 0.00 O ATOM 0 H GLY A 4 8.407 -13.154 4.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.991 -13.446 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.842 -14.751 3.421 1.00 0.00 H new ATOM 37 N SER A 5 8.905 -11.637 2.871 1.00 0.00 N ATOM 38 CA SER A 5 8.219 -10.769 1.920 1.00 0.00 C ATOM 39 C SER A 5 6.838 -11.320 1.580 1.00 0.00 C ATOM 40 O SER A 5 6.424 -11.315 0.421 1.00 0.00 O ATOM 41 CB SER A 5 9.050 -10.619 0.644 1.00 0.00 C ATOM 42 OG SER A 5 9.939 -9.520 0.741 1.00 0.00 O ATOM 0 H SER A 5 9.111 -11.200 3.769 1.00 0.00 H new ATOM 0 HA SER A 5 8.096 -9.790 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.615 -11.533 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.388 -10.481 -0.211 1.00 0.00 H new ATOM 0 HG SER A 5 10.460 -9.446 -0.086 1.00 0.00 H new ATOM 48 N SER A 6 6.129 -11.795 2.599 1.00 0.00 N ATOM 49 CA SER A 6 4.796 -12.353 2.409 1.00 0.00 C ATOM 50 C SER A 6 3.944 -11.439 1.534 1.00 0.00 C ATOM 51 O SER A 6 3.282 -11.894 0.602 1.00 0.00 O ATOM 52 CB SER A 6 4.111 -12.567 3.761 1.00 0.00 C ATOM 53 OG SER A 6 2.823 -13.133 3.596 1.00 0.00 O ATOM 0 H SER A 6 6.456 -11.804 3.565 1.00 0.00 H new ATOM 0 HA SER A 6 4.900 -13.315 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.722 -13.221 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.029 -11.615 4.285 1.00 0.00 H new ATOM 0 HG SER A 6 2.407 -13.261 4.474 1.00 0.00 H new ATOM 59 N GLY A 7 3.966 -10.146 1.841 1.00 0.00 N ATOM 60 CA GLY A 7 3.193 -9.187 1.074 1.00 0.00 C ATOM 61 C GLY A 7 4.067 -8.264 0.249 1.00 0.00 C ATOM 62 O GLY A 7 5.278 -8.194 0.459 1.00 0.00 O ATOM 0 H GLY A 7 4.506 -9.745 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.510 -9.721 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.581 -8.592 1.753 1.00 0.00 H new ATOM 66 N ASP A 8 3.453 -7.555 -0.691 1.00 0.00 N ATOM 67 CA ASP A 8 4.184 -6.631 -1.552 1.00 0.00 C ATOM 68 C ASP A 8 4.764 -5.477 -0.741 1.00 0.00 C ATOM 69 O ASP A 8 4.034 -4.596 -0.285 1.00 0.00 O ATOM 70 CB ASP A 8 3.267 -6.089 -2.649 1.00 0.00 C ATOM 71 CG ASP A 8 3.024 -7.100 -3.753 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.087 -7.914 -3.615 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.772 -7.078 -4.753 1.00 0.00 O ATOM 0 H ASP A 8 2.451 -7.602 -0.877 1.00 0.00 H new ATOM 0 HA ASP A 8 5.007 -7.177 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.313 -5.798 -2.210 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.709 -5.189 -3.076 1.00 0.00 H new ATOM 78 N TYR A 9 6.081 -5.488 -0.564 1.00 0.00 N ATOM 79 CA TYR A 9 6.759 -4.444 0.195 1.00 0.00 C ATOM 80 C TYR A 9 7.136 -3.273 -0.706 1.00 0.00 C ATOM 81 O TYR A 9 7.581 -3.464 -1.838 1.00 0.00 O ATOM 82 CB TYR A 9 8.012 -5.007 0.869 1.00 0.00 C ATOM 83 CG TYR A 9 7.759 -5.553 2.257 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.607 -6.275 2.542 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.674 -5.346 3.282 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.373 -6.775 3.808 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.448 -5.844 4.551 1.00 0.00 C ATOM 88 CZ TYR A 9 7.296 -6.557 4.809 1.00 0.00 C ATOM 89 OH TYR A 9 7.066 -7.054 6.072 1.00 0.00 O ATOM 0 H TYR A 9 6.700 -6.208 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 9 6.073 -4.083 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.425 -5.800 0.245 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.766 -4.222 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.882 -6.448 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.576 -4.787 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.472 -7.334 4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.170 -5.676 5.337 1.00 0.00 H new ATOM 0 HH TYR A 9 7.813 -6.814 6.659 1.00 0.00 H new ATOM 99 N CYS A 10 6.955 -2.060 -0.195 1.00 0.00 N ATOM 100 CA CYS A 10 7.275 -0.856 -0.953 1.00 0.00 C ATOM 101 C CYS A 10 8.003 0.160 -0.078 1.00 0.00 C ATOM 102 O CYS A 10 7.499 0.570 0.968 1.00 0.00 O ATOM 103 CB CYS A 10 6.000 -0.233 -1.524 1.00 0.00 C ATOM 104 SG CYS A 10 5.020 -1.361 -2.542 1.00 0.00 S ATOM 0 H CYS A 10 6.589 -1.885 0.741 1.00 0.00 H new ATOM 0 HA CYS A 10 7.932 -1.139 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.383 0.125 -0.700 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.270 0.638 -2.122 1.00 0.00 H new ATOM 0 HG CYS A 10 3.962 -0.744 -2.978 1.00 0.00 H new ATOM 110 N LYS A 11 9.194 0.560 -0.512 1.00 0.00 N ATOM 111 CA LYS A 11 9.993 1.527 0.231 1.00 0.00 C ATOM 112 C LYS A 11 9.590 2.955 -0.124 1.00 0.00 C ATOM 113 O LYS A 11 9.505 3.312 -1.299 1.00 0.00 O ATOM 114 CB LYS A 11 11.481 1.319 -0.059 1.00 0.00 C ATOM 115 CG LYS A 11 12.381 2.345 0.609 1.00 0.00 C ATOM 116 CD LYS A 11 13.850 2.020 0.398 1.00 0.00 C ATOM 117 CE LYS A 11 14.731 3.232 0.658 1.00 0.00 C ATOM 118 NZ LYS A 11 16.149 2.979 0.277 1.00 0.00 N ATOM 0 H LYS A 11 9.627 0.229 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 11 9.810 1.371 1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.771 0.322 0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.641 1.355 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.165 3.335 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.165 2.380 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.143 1.207 1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.003 1.669 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.351 4.085 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.681 3.498 1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.717 3.829 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.520 2.181 0.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.201 2.750 -0.736 1.00 0.00 H new ATOM 132 N VAL A 12 9.344 3.767 0.898 1.00 0.00 N ATOM 133 CA VAL A 12 8.952 5.157 0.693 1.00 0.00 C ATOM 134 C VAL A 12 10.165 6.032 0.399 1.00 0.00 C ATOM 135 O VAL A 12 11.032 6.216 1.253 1.00 0.00 O ATOM 136 CB VAL A 12 8.213 5.719 1.923 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.862 7.183 1.711 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.965 4.899 2.214 1.00 0.00 C ATOM 0 H VAL A 12 9.409 3.487 1.877 1.00 0.00 H new ATOM 0 HA VAL A 12 8.279 5.173 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 12 8.874 5.650 2.787 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.341 7.563 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.775 7.757 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.218 7.280 0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.455 5.309 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.297 4.934 1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.247 3.865 2.412 1.00 0.00 H new ATOM 148 N ILE A 13 10.218 6.570 -0.815 1.00 0.00 N ATOM 149 CA ILE A 13 11.324 7.428 -1.221 1.00 0.00 C ATOM 150 C ILE A 13 10.946 8.901 -1.112 1.00 0.00 C ATOM 151 O ILE A 13 11.795 9.753 -0.849 1.00 0.00 O ATOM 152 CB ILE A 13 11.767 7.129 -2.666 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.547 6.896 -3.559 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.692 5.921 -2.697 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.109 5.449 -3.618 1.00 0.00 C ATOM 0 H ILE A 13 9.509 6.427 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 13 12.152 7.217 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 13 12.314 7.991 -3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.719 7.503 -3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.774 7.240 -4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.996 5.722 -3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.574 6.123 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.169 5.052 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.239 5.358 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.922 4.839 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.850 5.106 -2.616 1.00 0.00 H new ATOM 167 N PHE A 14 9.666 9.194 -1.314 1.00 0.00 N ATOM 168 CA PHE A 14 9.175 10.565 -1.238 1.00 0.00 C ATOM 169 C PHE A 14 8.229 10.739 -0.052 1.00 0.00 C ATOM 170 O PHE A 14 7.309 9.949 0.161 1.00 0.00 O ATOM 171 CB PHE A 14 8.459 10.946 -2.535 1.00 0.00 C ATOM 172 CG PHE A 14 9.368 11.549 -3.567 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.211 10.747 -4.320 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.381 12.917 -3.784 1.00 0.00 C ATOM 175 CE1 PHE A 14 11.049 11.300 -5.270 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.217 13.475 -4.733 1.00 0.00 C ATOM 177 CZ PHE A 14 11.051 12.665 -5.477 1.00 0.00 C ATOM 0 H PHE A 14 8.950 8.501 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 14 10.032 11.224 -1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.986 10.058 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.662 11.654 -2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.213 9.679 -4.163 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.730 13.555 -3.205 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.702 10.665 -5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.218 14.543 -4.892 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.704 13.098 -6.220 1.00 0.00 H new ATOM 187 N PRO A 15 8.461 11.797 0.739 1.00 0.00 N ATOM 188 CA PRO A 15 7.642 12.100 1.916 1.00 0.00 C ATOM 189 C PRO A 15 6.238 12.563 1.542 1.00 0.00 C ATOM 190 O PRO A 15 6.067 13.410 0.664 1.00 0.00 O ATOM 191 CB PRO A 15 8.413 13.230 2.603 1.00 0.00 C ATOM 192 CG PRO A 15 9.190 13.878 1.510 1.00 0.00 C ATOM 193 CD PRO A 15 9.541 12.780 0.544 1.00 0.00 C ATOM 0 HA PRO A 15 7.493 11.223 2.546 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.736 13.938 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.071 12.844 3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.602 14.655 1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.088 14.356 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.573 13.143 -0.483 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.519 12.351 0.761 1.00 0.00 H new ATOM 201 N TYR A 16 5.237 12.004 2.212 1.00 0.00 N ATOM 202 CA TYR A 16 3.848 12.359 1.949 1.00 0.00 C ATOM 203 C TYR A 16 3.113 12.682 3.246 1.00 0.00 C ATOM 204 O TYR A 16 3.265 11.985 4.248 1.00 0.00 O ATOM 205 CB TYR A 16 3.138 11.218 1.218 1.00 0.00 C ATOM 206 CG TYR A 16 1.760 11.584 0.717 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.595 12.518 -0.299 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.623 10.999 1.259 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.337 12.857 -0.760 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.638 11.330 0.803 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.776 12.260 -0.207 1.00 0.00 C ATOM 212 OH TYR A 16 -2.031 12.594 -0.662 1.00 0.00 O ATOM 0 H TYR A 16 5.362 11.303 2.942 1.00 0.00 H new ATOM 0 HA TYR A 16 3.840 13.247 1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.750 10.902 0.373 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.056 10.363 1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.465 12.987 -0.736 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.727 10.272 2.051 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.226 13.586 -1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.511 10.863 1.235 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.705 12.082 -0.168 1.00 0.00 H new ATOM 222 N GLU A 17 2.314 13.745 3.216 1.00 0.00 N ATOM 223 CA GLU A 17 1.555 14.161 4.389 1.00 0.00 C ATOM 224 C GLU A 17 0.060 13.941 4.176 1.00 0.00 C ATOM 225 O GLU A 17 -0.590 14.687 3.445 1.00 0.00 O ATOM 226 CB GLU A 17 1.825 15.635 4.702 1.00 0.00 C ATOM 227 CG GLU A 17 3.114 15.867 5.472 1.00 0.00 C ATOM 228 CD GLU A 17 3.440 17.339 5.632 1.00 0.00 C ATOM 229 OE1 GLU A 17 2.494 18.151 5.708 1.00 0.00 O ATOM 230 OE2 GLU A 17 4.640 17.680 5.683 1.00 0.00 O ATOM 0 H GLU A 17 2.176 14.332 2.393 1.00 0.00 H new ATOM 0 HA GLU A 17 1.878 13.552 5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.864 16.195 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.990 16.034 5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.032 15.407 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.936 15.371 4.956 1.00 0.00 H new ATOM 237 N ALA A 18 -0.478 12.910 4.820 1.00 0.00 N ATOM 238 CA ALA A 18 -1.895 12.591 4.703 1.00 0.00 C ATOM 239 C ALA A 18 -2.760 13.796 5.059 1.00 0.00 C ATOM 240 O ALA A 18 -2.652 14.346 6.155 1.00 0.00 O ATOM 241 CB ALA A 18 -2.245 11.407 5.592 1.00 0.00 C ATOM 0 H ALA A 18 0.047 12.282 5.428 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.098 12.325 3.666 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.307 11.180 5.494 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.659 10.539 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.020 11.652 6.630 1.00 0.00 H new ATOM 247 N GLN A 19 -3.616 14.200 4.126 1.00 0.00 N ATOM 248 CA GLN A 19 -4.498 15.341 4.342 1.00 0.00 C ATOM 249 C GLN A 19 -5.680 14.956 5.226 1.00 0.00 C ATOM 250 O GLN A 19 -6.056 15.697 6.133 1.00 0.00 O ATOM 251 CB GLN A 19 -5.002 15.884 3.004 1.00 0.00 C ATOM 252 CG GLN A 19 -6.062 16.964 3.146 1.00 0.00 C ATOM 253 CD GLN A 19 -5.497 18.270 3.669 1.00 0.00 C ATOM 254 OE1 GLN A 19 -4.309 18.554 3.511 1.00 0.00 O ATOM 255 NE2 GLN A 19 -6.347 19.074 4.298 1.00 0.00 N ATOM 0 H GLN A 19 -3.718 13.755 3.214 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.927 16.118 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.158 16.286 2.444 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.410 15.061 2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.531 17.137 2.177 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.844 16.614 3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.323 18.799 4.407 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.023 19.966 4.672 1.00 0.00 H new ATOM 264 N ASN A 20 -6.261 13.792 4.954 1.00 0.00 N ATOM 265 CA ASN A 20 -7.402 13.309 5.724 1.00 0.00 C ATOM 266 C ASN A 20 -7.132 11.912 6.277 1.00 0.00 C ATOM 267 O ASN A 20 -6.271 11.191 5.775 1.00 0.00 O ATOM 268 CB ASN A 20 -8.660 13.292 4.855 1.00 0.00 C ATOM 269 CG ASN A 20 -9.080 14.682 4.417 1.00 0.00 C ATOM 270 OD1 ASN A 20 -9.346 15.552 5.246 1.00 0.00 O ATOM 271 ND2 ASN A 20 -9.140 14.896 3.107 1.00 0.00 N ATOM 0 H ASN A 20 -5.961 13.166 4.207 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.558 13.989 6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.481 12.675 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.475 12.827 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.416 15.812 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.910 14.145 2.456 1.00 0.00 H new ATOM 278 N ASP A 21 -7.875 11.539 7.312 1.00 0.00 N ATOM 279 CA ASP A 21 -7.719 10.228 7.933 1.00 0.00 C ATOM 280 C ASP A 21 -7.486 9.152 6.877 1.00 0.00 C ATOM 281 O ASP A 21 -6.526 8.386 6.958 1.00 0.00 O ATOM 282 CB ASP A 21 -8.954 9.884 8.766 1.00 0.00 C ATOM 283 CG ASP A 21 -10.238 10.380 8.131 1.00 0.00 C ATOM 284 OD1 ASP A 21 -10.627 11.535 8.404 1.00 0.00 O ATOM 285 OD2 ASP A 21 -10.854 9.613 7.362 1.00 0.00 O ATOM 0 H ASP A 21 -8.592 12.125 7.740 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.848 10.264 8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.011 8.803 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.851 10.320 9.760 1.00 0.00 H new ATOM 290 N ASP A 22 -8.372 9.099 5.888 1.00 0.00 N ATOM 291 CA ASP A 22 -8.264 8.116 4.816 1.00 0.00 C ATOM 292 C ASP A 22 -6.815 7.961 4.366 1.00 0.00 C ATOM 293 O ASP A 22 -6.290 6.849 4.305 1.00 0.00 O ATOM 294 CB ASP A 22 -9.138 8.526 3.630 1.00 0.00 C ATOM 295 CG ASP A 22 -10.594 8.151 3.827 1.00 0.00 C ATOM 296 OD1 ASP A 22 -10.857 7.110 4.465 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.470 8.897 3.342 1.00 0.00 O ATOM 0 H ASP A 22 -9.173 9.725 5.807 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.612 7.157 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.060 9.603 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.763 8.050 2.724 1.00 0.00 H new ATOM 302 N GLU A 23 -6.174 9.082 4.051 1.00 0.00 N ATOM 303 CA GLU A 23 -4.786 9.069 3.604 1.00 0.00 C ATOM 304 C GLU A 23 -3.862 8.582 4.717 1.00 0.00 C ATOM 305 O GLU A 23 -4.160 8.739 5.901 1.00 0.00 O ATOM 306 CB GLU A 23 -4.361 10.466 3.148 1.00 0.00 C ATOM 307 CG GLU A 23 -5.150 10.984 1.957 1.00 0.00 C ATOM 308 CD GLU A 23 -6.460 11.631 2.362 1.00 0.00 C ATOM 309 OE1 GLU A 23 -7.459 10.899 2.520 1.00 0.00 O ATOM 310 OE2 GLU A 23 -6.485 12.869 2.520 1.00 0.00 O ATOM 0 H GLU A 23 -6.594 10.011 4.097 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.708 8.381 2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.476 11.161 3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.302 10.449 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.545 11.708 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.352 10.159 1.274 1.00 0.00 H new ATOM 317 N LEU A 24 -2.738 7.990 4.327 1.00 0.00 N ATOM 318 CA LEU A 24 -1.769 7.479 5.290 1.00 0.00 C ATOM 319 C LEU A 24 -0.483 8.299 5.255 1.00 0.00 C ATOM 320 O LEU A 24 0.033 8.621 4.184 1.00 0.00 O ATOM 321 CB LEU A 24 -1.458 6.010 5.000 1.00 0.00 C ATOM 322 CG LEU A 24 -0.279 5.409 5.765 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.740 4.845 7.100 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.402 4.330 4.935 1.00 0.00 C ATOM 0 H LEU A 24 -2.476 7.852 3.351 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.205 7.562 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.348 5.421 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.264 5.904 3.933 1.00 0.00 H new ATOM 0 HG LEU A 24 0.444 6.201 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.113 4.422 7.630 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.180 5.642 7.699 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.484 4.067 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.239 3.914 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.313 3.539 4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.769 4.764 4.005 1.00 0.00 H new ATOM 336 N THR A 25 0.033 8.632 6.435 1.00 0.00 N ATOM 337 CA THR A 25 1.259 9.413 6.540 1.00 0.00 C ATOM 338 C THR A 25 2.490 8.525 6.400 1.00 0.00 C ATOM 339 O THR A 25 2.601 7.493 7.063 1.00 0.00 O ATOM 340 CB THR A 25 1.332 10.165 7.882 1.00 0.00 C ATOM 341 OG1 THR A 25 0.112 10.878 8.112 1.00 0.00 O ATOM 342 CG2 THR A 25 2.503 11.136 7.894 1.00 0.00 C ATOM 0 H THR A 25 -0.380 8.373 7.331 1.00 0.00 H new ATOM 0 HA THR A 25 1.243 10.138 5.726 1.00 0.00 H new ATOM 0 HB THR A 25 1.479 9.433 8.676 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.166 11.352 8.968 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.535 11.656 8.852 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.433 10.586 7.748 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.381 11.863 7.091 1.00 0.00 H new ATOM 350 N ILE A 26 3.412 8.932 5.534 1.00 0.00 N ATOM 351 CA ILE A 26 4.636 8.173 5.310 1.00 0.00 C ATOM 352 C ILE A 26 5.837 9.100 5.156 1.00 0.00 C ATOM 353 O ILE A 26 5.759 10.131 4.488 1.00 0.00 O ATOM 354 CB ILE A 26 4.525 7.284 4.057 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.256 8.141 2.818 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.426 6.247 4.239 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.264 7.354 1.526 1.00 0.00 C ATOM 0 H ILE A 26 3.335 9.783 4.976 1.00 0.00 H new ATOM 0 HA ILE A 26 4.779 7.539 6.185 1.00 0.00 H new ATOM 0 HB ILE A 26 5.471 6.762 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.289 8.632 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.008 8.927 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.360 5.626 3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.657 5.620 5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.473 6.751 4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.067 8.025 0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.238 6.884 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.493 6.585 1.564 1.00 0.00 H new ATOM 369 N LYS A 27 6.950 8.726 5.779 1.00 0.00 N ATOM 370 CA LYS A 27 8.170 9.521 5.710 1.00 0.00 C ATOM 371 C LYS A 27 9.240 8.805 4.892 1.00 0.00 C ATOM 372 O LYS A 27 9.142 7.605 4.640 1.00 0.00 O ATOM 373 CB LYS A 27 8.696 9.808 7.118 1.00 0.00 C ATOM 374 CG LYS A 27 7.690 10.515 8.011 1.00 0.00 C ATOM 375 CD LYS A 27 8.305 10.903 9.345 1.00 0.00 C ATOM 376 CE LYS A 27 7.367 11.785 10.155 1.00 0.00 C ATOM 377 NZ LYS A 27 7.696 11.759 11.607 1.00 0.00 N ATOM 0 H LYS A 27 7.032 7.877 6.338 1.00 0.00 H new ATOM 0 HA LYS A 27 7.932 10.464 5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.987 8.868 7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.595 10.419 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.319 11.407 7.507 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.832 9.864 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.542 10.003 9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.244 11.429 9.175 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.425 12.810 9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.339 11.452 10.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.034 12.372 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.616 10.785 11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.668 12.101 11.749 1.00 0.00 H new ATOM 391 N GLU A 28 10.263 9.550 4.483 1.00 0.00 N ATOM 392 CA GLU A 28 11.351 8.984 3.694 1.00 0.00 C ATOM 393 C GLU A 28 12.187 8.022 4.533 1.00 0.00 C ATOM 394 O GLU A 28 12.898 8.435 5.448 1.00 0.00 O ATOM 395 CB GLU A 28 12.240 10.099 3.139 1.00 0.00 C ATOM 396 CG GLU A 28 13.471 9.588 2.408 1.00 0.00 C ATOM 397 CD GLU A 28 14.570 10.629 2.319 1.00 0.00 C ATOM 398 OE1 GLU A 28 15.247 10.866 3.341 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.754 11.205 1.226 1.00 0.00 O ATOM 0 H GLU A 28 10.361 10.545 4.685 1.00 0.00 H new ATOM 0 HA GLU A 28 10.914 8.429 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.653 10.715 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.556 10.743 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.853 8.705 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.189 9.276 1.402 1.00 0.00 H new ATOM 406 N GLY A 29 12.095 6.734 4.213 1.00 0.00 N ATOM 407 CA GLY A 29 12.847 5.732 4.946 1.00 0.00 C ATOM 408 C GLY A 29 11.953 4.814 5.755 1.00 0.00 C ATOM 409 O GLY A 29 12.297 4.428 6.872 1.00 0.00 O ATOM 0 H GLY A 29 11.513 6.367 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.434 5.138 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.553 6.227 5.613 1.00 0.00 H new ATOM 413 N ASP A 30 10.802 4.464 5.191 1.00 0.00 N ATOM 414 CA ASP A 30 9.855 3.586 5.868 1.00 0.00 C ATOM 415 C ASP A 30 9.143 2.680 4.868 1.00 0.00 C ATOM 416 O ASP A 30 8.588 3.152 3.875 1.00 0.00 O ATOM 417 CB ASP A 30 8.830 4.410 6.649 1.00 0.00 C ATOM 418 CG ASP A 30 9.401 4.977 7.934 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.291 5.850 7.852 1.00 0.00 O ATOM 420 OD2 ASP A 30 8.959 4.548 9.020 1.00 0.00 O ATOM 0 H ASP A 30 10.502 4.775 4.267 1.00 0.00 H new ATOM 0 HA ASP A 30 10.412 2.960 6.565 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.472 5.227 6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.968 3.785 6.882 1.00 0.00 H new ATOM 425 N ILE A 31 9.164 1.379 5.136 1.00 0.00 N ATOM 426 CA ILE A 31 8.521 0.409 4.259 1.00 0.00 C ATOM 427 C ILE A 31 7.073 0.168 4.674 1.00 0.00 C ATOM 428 O ILE A 31 6.769 0.034 5.860 1.00 0.00 O ATOM 429 CB ILE A 31 9.272 -0.936 4.260 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.662 -0.767 3.642 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.475 -1.988 3.504 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.703 -0.272 4.622 1.00 0.00 C ATOM 0 H ILE A 31 9.619 0.972 5.953 1.00 0.00 H new ATOM 0 HA ILE A 31 8.545 0.829 3.254 1.00 0.00 H new ATOM 0 HB ILE A 31 9.390 -1.270 5.291 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.987 -1.723 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.598 -0.067 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.019 -2.933 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.505 -2.123 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.330 -1.663 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.663 -0.176 4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.401 0.699 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.796 -0.982 5.444 1.00 0.00 H new ATOM 444 N VAL A 32 6.182 0.114 3.689 1.00 0.00 N ATOM 445 CA VAL A 32 4.766 -0.113 3.951 1.00 0.00 C ATOM 446 C VAL A 32 4.277 -1.384 3.265 1.00 0.00 C ATOM 447 O VAL A 32 4.413 -1.541 2.051 1.00 0.00 O ATOM 448 CB VAL A 32 3.909 1.075 3.474 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.431 0.789 3.691 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.325 2.351 4.190 1.00 0.00 C ATOM 0 H VAL A 32 6.416 0.224 2.702 1.00 0.00 H new ATOM 0 HA VAL A 32 4.658 -0.220 5.030 1.00 0.00 H new ATOM 0 HB VAL A 32 4.073 1.214 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.842 1.639 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.146 -0.100 3.129 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.245 0.623 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.710 3.181 3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.191 2.226 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.373 2.562 3.978 1.00 0.00 H new ATOM 460 N THR A 33 3.708 -2.293 4.052 1.00 0.00 N ATOM 461 CA THR A 33 3.199 -3.551 3.522 1.00 0.00 C ATOM 462 C THR A 33 1.919 -3.334 2.722 1.00 0.00 C ATOM 463 O THR A 33 0.883 -2.966 3.277 1.00 0.00 O ATOM 464 CB THR A 33 2.921 -4.564 4.648 1.00 0.00 C ATOM 465 OG1 THR A 33 4.105 -4.767 5.428 1.00 0.00 O ATOM 466 CG2 THR A 33 2.450 -5.893 4.078 1.00 0.00 C ATOM 0 H THR A 33 3.589 -2.180 5.059 1.00 0.00 H new ATOM 0 HA THR A 33 3.971 -3.952 2.865 1.00 0.00 H new ATOM 0 HB THR A 33 2.133 -4.160 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.726 -5.344 4.936 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.260 -6.592 4.893 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.532 -5.740 3.510 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.219 -6.301 3.422 1.00 0.00 H new ATOM 474 N LEU A 34 1.997 -3.565 1.416 1.00 0.00 N ATOM 475 CA LEU A 34 0.844 -3.396 0.539 1.00 0.00 C ATOM 476 C LEU A 34 -0.312 -4.287 0.982 1.00 0.00 C ATOM 477 O LEU A 34 -0.276 -5.504 0.797 1.00 0.00 O ATOM 478 CB LEU A 34 1.226 -3.717 -0.907 1.00 0.00 C ATOM 479 CG LEU A 34 0.458 -2.956 -1.988 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.809 -1.476 -1.951 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.751 -3.541 -3.362 1.00 0.00 C ATOM 0 H LEU A 34 2.847 -3.870 0.941 1.00 0.00 H new ATOM 0 HA LEU A 34 0.521 -2.357 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.289 -3.515 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.083 -4.785 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.609 -3.060 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.253 -0.951 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.548 -1.064 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.878 -1.351 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.196 -2.987 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.819 -3.468 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.448 -4.588 -3.384 1.00 0.00 H new ATOM 493 N ILE A 35 -1.337 -3.674 1.564 1.00 0.00 N ATOM 494 CA ILE A 35 -2.505 -4.411 2.029 1.00 0.00 C ATOM 495 C ILE A 35 -3.374 -4.859 0.858 1.00 0.00 C ATOM 496 O ILE A 35 -3.606 -6.052 0.665 1.00 0.00 O ATOM 497 CB ILE A 35 -3.358 -3.566 2.993 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.531 -3.155 4.213 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.596 -4.339 3.422 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.093 -4.323 5.068 1.00 0.00 C ATOM 0 H ILE A 35 -1.382 -2.668 1.725 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.134 -5.288 2.560 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.679 -2.663 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.649 -2.610 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.116 -2.468 4.824 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.188 -3.728 4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.193 -4.586 2.544 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.295 -5.257 3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.512 -3.957 5.914 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.971 -4.855 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.480 -5.000 4.473 1.00 0.00 H new ATOM 512 N ASN A 36 -3.851 -3.893 0.079 1.00 0.00 N ATOM 513 CA ASN A 36 -4.694 -4.188 -1.074 1.00 0.00 C ATOM 514 C ASN A 36 -4.380 -3.246 -2.232 1.00 0.00 C ATOM 515 O ASN A 36 -4.045 -2.080 -2.025 1.00 0.00 O ATOM 516 CB ASN A 36 -6.171 -4.073 -0.694 1.00 0.00 C ATOM 517 CG ASN A 36 -6.689 -5.317 0.002 1.00 0.00 C ATOM 518 OD1 ASN A 36 -7.092 -5.269 1.163 1.00 0.00 O ATOM 519 ND2 ASN A 36 -6.678 -6.439 -0.708 1.00 0.00 N ATOM 0 H ASN A 36 -3.668 -2.900 0.225 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.486 -5.209 -1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.309 -3.211 -0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.761 -3.890 -1.592 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.013 -7.308 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.334 -6.431 -1.668 1.00 0.00 H new ATOM 526 N LYS A 37 -4.491 -3.760 -3.452 1.00 0.00 N ATOM 527 CA LYS A 37 -4.221 -2.966 -4.645 1.00 0.00 C ATOM 528 C LYS A 37 -5.345 -1.966 -4.899 1.00 0.00 C ATOM 529 O LYS A 37 -6.429 -2.078 -4.326 1.00 0.00 O ATOM 530 CB LYS A 37 -4.052 -3.878 -5.862 1.00 0.00 C ATOM 531 CG LYS A 37 -2.804 -4.743 -5.806 1.00 0.00 C ATOM 532 CD LYS A 37 -2.371 -5.187 -7.192 1.00 0.00 C ATOM 533 CE LYS A 37 -0.925 -5.660 -7.199 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.813 -7.107 -6.867 1.00 0.00 N ATOM 0 H LYS A 37 -4.766 -4.724 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.296 -2.413 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.927 -4.522 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.019 -3.265 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.995 -4.186 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.995 -5.619 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.020 -5.992 -7.537 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.488 -4.361 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.488 -5.478 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.349 -5.077 -6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.188 -7.390 -6.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.207 -7.277 -5.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.342 -7.666 -7.567 1.00 0.00 H new ATOM 548 N ASP A 38 -5.079 -0.990 -5.760 1.00 0.00 N ATOM 549 CA ASP A 38 -6.069 0.028 -6.091 1.00 0.00 C ATOM 550 C ASP A 38 -6.821 -0.340 -7.366 1.00 0.00 C ATOM 551 O ASP A 38 -6.363 -1.171 -8.151 1.00 0.00 O ATOM 552 CB ASP A 38 -5.394 1.391 -6.257 1.00 0.00 C ATOM 553 CG ASP A 38 -6.395 2.525 -6.354 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.852 3.006 -5.296 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.722 2.931 -7.489 1.00 0.00 O ATOM 0 H ASP A 38 -4.186 -0.882 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.785 0.084 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.729 1.569 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.774 1.380 -7.154 1.00 0.00 H new ATOM 560 N CYS A 39 -7.977 0.284 -7.565 1.00 0.00 N ATOM 561 CA CYS A 39 -8.794 0.021 -8.745 1.00 0.00 C ATOM 562 C CYS A 39 -7.969 0.159 -10.020 1.00 0.00 C ATOM 563 O CYS A 39 -6.882 0.738 -10.008 1.00 0.00 O ATOM 564 CB CYS A 39 -9.986 0.978 -8.788 1.00 0.00 C ATOM 565 SG CYS A 39 -11.331 0.534 -7.663 1.00 0.00 S ATOM 0 H CYS A 39 -8.369 0.975 -6.925 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.161 -1.003 -8.682 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.640 1.983 -8.545 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.374 1.012 -9.806 1.00 0.00 H new ATOM 0 HG CYS A 39 -12.291 1.404 -7.770 1.00 0.00 H new ATOM 571 N ILE A 40 -8.491 -0.378 -11.117 1.00 0.00 N ATOM 572 CA ILE A 40 -7.802 -0.315 -12.400 1.00 0.00 C ATOM 573 C ILE A 40 -6.995 0.972 -12.528 1.00 0.00 C ATOM 574 O ILE A 40 -5.960 1.004 -13.195 1.00 0.00 O ATOM 575 CB ILE A 40 -8.793 -0.405 -13.576 1.00 0.00 C ATOM 576 CG1 ILE A 40 -9.688 -1.637 -13.424 1.00 0.00 C ATOM 577 CG2 ILE A 40 -8.042 -0.449 -14.899 1.00 0.00 C ATOM 578 CD1 ILE A 40 -10.959 -1.369 -12.650 1.00 0.00 C ATOM 0 H ILE A 40 -9.389 -0.862 -11.143 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.127 -1.170 -12.438 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.425 0.483 -13.568 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.947 -2.012 -14.414 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.126 -2.425 -12.922 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.756 -0.513 -15.721 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.443 0.455 -15.008 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -7.389 -1.321 -14.918 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -11.544 -2.286 -12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.708 -1.023 -11.647 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -11.543 -0.604 -13.162 1.00 0.00 H new ATOM 590 N ASP A 41 -7.473 2.030 -11.883 1.00 0.00 N ATOM 591 CA ASP A 41 -6.794 3.320 -11.922 1.00 0.00 C ATOM 592 C ASP A 41 -5.477 3.264 -11.154 1.00 0.00 C ATOM 593 O ASP A 41 -5.447 2.907 -9.976 1.00 0.00 O ATOM 594 CB ASP A 41 -7.692 4.411 -11.339 1.00 0.00 C ATOM 595 CG ASP A 41 -8.991 4.563 -12.106 1.00 0.00 C ATOM 596 OD1 ASP A 41 -9.644 3.534 -12.378 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.355 5.712 -12.434 1.00 0.00 O ATOM 0 H ASP A 41 -8.328 2.020 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.577 3.557 -12.964 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.914 4.177 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.156 5.360 -11.346 1.00 0.00 H new ATOM 602 N VAL A 42 -4.388 3.619 -11.829 1.00 0.00 N ATOM 603 CA VAL A 42 -3.068 3.609 -11.211 1.00 0.00 C ATOM 604 C VAL A 42 -2.752 4.955 -10.568 1.00 0.00 C ATOM 605 O VAL A 42 -3.246 5.994 -11.003 1.00 0.00 O ATOM 606 CB VAL A 42 -1.970 3.273 -12.238 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.627 3.094 -11.545 1.00 0.00 C ATOM 608 CG2 VAL A 42 -2.342 2.027 -13.027 1.00 0.00 C ATOM 0 H VAL A 42 -4.394 3.917 -12.804 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.084 2.837 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.883 4.105 -12.937 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.136 2.857 -12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.358 4.016 -11.029 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.696 2.281 -10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.555 1.804 -13.748 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.458 1.185 -12.344 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.280 2.197 -13.555 1.00 0.00 H new ATOM 618 N GLY A 43 -1.924 4.928 -9.527 1.00 0.00 N ATOM 619 CA GLY A 43 -1.556 6.152 -8.841 1.00 0.00 C ATOM 620 C GLY A 43 -1.925 6.125 -7.371 1.00 0.00 C ATOM 621 O GLY A 43 -1.449 6.949 -6.589 1.00 0.00 O ATOM 0 H GLY A 43 -1.502 4.080 -9.147 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.482 6.312 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.050 6.997 -9.321 1.00 0.00 H new ATOM 625 N TRP A 44 -2.777 5.178 -6.993 1.00 0.00 N ATOM 626 CA TRP A 44 -3.211 5.049 -5.607 1.00 0.00 C ATOM 627 C TRP A 44 -2.965 3.637 -5.089 1.00 0.00 C ATOM 628 O TRP A 44 -2.939 2.679 -5.861 1.00 0.00 O ATOM 629 CB TRP A 44 -4.694 5.402 -5.480 1.00 0.00 C ATOM 630 CG TRP A 44 -5.035 6.747 -6.047 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.587 7.005 -7.269 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.845 8.017 -5.415 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.751 8.359 -7.435 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.304 9.002 -6.311 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.333 8.418 -4.178 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.265 10.360 -6.008 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.294 9.767 -3.879 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.759 10.725 -4.790 1.00 0.00 C ATOM 0 H TRP A 44 -3.181 4.489 -7.627 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.627 5.744 -5.003 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.286 4.641 -5.988 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.977 5.377 -4.428 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.855 6.255 -7.998 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -6.142 8.812 -8.261 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.974 7.687 -3.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.622 11.100 -6.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -3.898 10.088 -2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.717 11.771 -4.526 1.00 0.00 H new ATOM 649 N TRP A 45 -2.786 3.514 -3.779 1.00 0.00 N ATOM 650 CA TRP A 45 -2.543 2.217 -3.158 1.00 0.00 C ATOM 651 C TRP A 45 -2.760 2.285 -1.651 1.00 0.00 C ATOM 652 O TRP A 45 -2.650 3.352 -1.047 1.00 0.00 O ATOM 653 CB TRP A 45 -1.121 1.743 -3.460 1.00 0.00 C ATOM 654 CG TRP A 45 -0.997 1.033 -4.775 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.999 0.421 -5.473 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.196 0.861 -5.547 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.500 -0.121 -6.633 1.00 0.00 N ATOM 658 CE2 TRP A 45 -0.157 0.136 -6.702 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.527 1.251 -5.377 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.775 -0.207 -7.679 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.450 0.910 -6.346 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.071 0.188 -7.486 1.00 0.00 C ATOM 0 H TRP A 45 -2.805 4.297 -3.126 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.253 1.503 -3.576 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.451 2.602 -3.455 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.791 1.077 -2.663 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.031 0.371 -5.159 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.042 -0.632 -7.330 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.829 1.809 -4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.485 -0.765 -8.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.482 1.205 -6.223 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.816 -0.062 -8.227 1.00 0.00 H new ATOM 673 N GLU A 46 -3.069 1.140 -1.049 1.00 0.00 N ATOM 674 CA GLU A 46 -3.302 1.073 0.389 1.00 0.00 C ATOM 675 C GLU A 46 -2.253 0.198 1.069 1.00 0.00 C ATOM 676 O GLU A 46 -1.874 -0.853 0.552 1.00 0.00 O ATOM 677 CB GLU A 46 -4.702 0.526 0.676 1.00 0.00 C ATOM 678 CG GLU A 46 -5.310 1.056 1.963 1.00 0.00 C ATOM 679 CD GLU A 46 -6.554 0.294 2.377 1.00 0.00 C ATOM 680 OE1 GLU A 46 -6.421 -0.872 2.804 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.661 0.864 2.274 1.00 0.00 O ATOM 0 H GLU A 46 -3.164 0.248 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.225 2.083 0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.359 0.777 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.654 -0.562 0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.570 0.997 2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.559 2.110 1.836 1.00 0.00 H new ATOM 688 N GLY A 47 -1.786 0.640 2.233 1.00 0.00 N ATOM 689 CA GLY A 47 -0.785 -0.113 2.965 1.00 0.00 C ATOM 690 C GLY A 47 -0.890 0.088 4.464 1.00 0.00 C ATOM 691 O GLY A 47 -1.533 1.029 4.927 1.00 0.00 O ATOM 0 H GLY A 47 -2.083 1.506 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.892 -1.173 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.208 0.187 2.630 1.00 0.00 H new ATOM 695 N GLU A 48 -0.257 -0.801 5.224 1.00 0.00 N ATOM 696 CA GLU A 48 -0.285 -0.717 6.680 1.00 0.00 C ATOM 697 C GLU A 48 1.052 -0.221 7.222 1.00 0.00 C ATOM 698 O GLU A 48 2.096 -0.829 6.984 1.00 0.00 O ATOM 699 CB GLU A 48 -0.618 -2.083 7.285 1.00 0.00 C ATOM 700 CG GLU A 48 -1.359 -1.998 8.609 1.00 0.00 C ATOM 701 CD GLU A 48 -0.422 -1.959 9.800 1.00 0.00 C ATOM 702 OE1 GLU A 48 0.374 -1.002 9.900 1.00 0.00 O ATOM 703 OE2 GLU A 48 -0.484 -2.888 10.633 1.00 0.00 O ATOM 0 H GLU A 48 0.280 -1.586 4.856 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.059 -0.004 6.963 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.223 -2.648 6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.307 -2.642 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.985 -1.105 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.026 -2.855 8.704 1.00 0.00 H new ATOM 710 N LEU A 49 1.012 0.888 7.953 1.00 0.00 N ATOM 711 CA LEU A 49 2.220 1.468 8.530 1.00 0.00 C ATOM 712 C LEU A 49 1.988 1.880 9.980 1.00 0.00 C ATOM 713 O LEU A 49 1.175 2.758 10.263 1.00 0.00 O ATOM 714 CB LEU A 49 2.670 2.678 7.710 1.00 0.00 C ATOM 715 CG LEU A 49 3.979 3.337 8.148 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.155 2.406 7.895 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.179 4.660 7.423 1.00 0.00 C ATOM 0 H LEU A 49 0.156 1.403 8.160 1.00 0.00 H new ATOM 0 HA LEU A 49 3.003 0.710 8.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.773 2.369 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.880 3.428 7.743 1.00 0.00 H new ATOM 0 HG LEU A 49 3.923 3.537 9.218 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.078 2.891 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.017 1.484 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.214 2.175 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.115 5.115 7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.214 4.484 6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.351 5.330 7.654 1.00 0.00 H new ATOM 729 N ASN A 50 2.709 1.239 10.894 1.00 0.00 N ATOM 730 CA ASN A 50 2.583 1.540 12.316 1.00 0.00 C ATOM 731 C ASN A 50 1.139 1.375 12.780 1.00 0.00 C ATOM 732 O ASN A 50 0.629 2.181 13.557 1.00 0.00 O ATOM 733 CB ASN A 50 3.061 2.965 12.601 1.00 0.00 C ATOM 734 CG ASN A 50 4.566 3.045 12.777 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.262 3.467 11.728 1.00 0.00 O flip ATOM 736 ND2 ASN A 50 5.095 2.732 13.843 1.00 0.00 N flip ATOM 0 H ASN A 50 3.386 0.508 10.676 1.00 0.00 H new ATOM 0 HA ASN A 50 3.207 0.837 12.868 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.758 3.618 11.782 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.572 3.336 13.502 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.521 2.413 14.623 1.00 0.00 H new ATOM 0 HD22 ASN A 50 6.108 2.792 13.947 1.00 0.00 H new ATOM 743 N GLY A 51 0.485 0.321 12.299 1.00 0.00 N ATOM 744 CA GLY A 51 -0.893 0.068 12.676 1.00 0.00 C ATOM 745 C GLY A 51 -1.847 1.104 12.115 1.00 0.00 C ATOM 746 O GLY A 51 -2.729 1.592 12.822 1.00 0.00 O ATOM 0 H GLY A 51 0.885 -0.361 11.655 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.187 -0.921 12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.973 0.056 13.763 1.00 0.00 H new ATOM 750 N ARG A 52 -1.671 1.441 10.842 1.00 0.00 N ATOM 751 CA ARG A 52 -2.521 2.428 10.188 1.00 0.00 C ATOM 752 C ARG A 52 -2.872 1.988 8.769 1.00 0.00 C ATOM 753 O ARG A 52 -1.989 1.697 7.963 1.00 0.00 O ATOM 754 CB ARG A 52 -1.826 3.790 10.153 1.00 0.00 C ATOM 755 CG ARG A 52 -1.758 4.473 11.509 1.00 0.00 C ATOM 756 CD ARG A 52 -1.661 5.984 11.367 1.00 0.00 C ATOM 757 NE ARG A 52 -2.806 6.541 10.652 1.00 0.00 N ATOM 758 CZ ARG A 52 -2.841 7.779 10.172 1.00 0.00 C ATOM 759 NH1 ARG A 52 -1.800 8.584 10.329 1.00 0.00 N ATOM 760 NH2 ARG A 52 -3.920 8.214 9.533 1.00 0.00 N ATOM 0 H ARG A 52 -0.947 1.045 10.243 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.443 2.514 10.763 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.814 3.662 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.353 4.440 9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.643 4.217 12.091 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.895 4.102 12.062 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.596 6.438 12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.743 6.240 10.837 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.624 5.947 10.514 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.969 8.253 10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.830 9.534 9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.723 7.597 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.946 9.165 9.165 1.00 0.00 H new ATOM 774 N ARG A 53 -4.167 1.941 8.473 1.00 0.00 N ATOM 775 CA ARG A 53 -4.635 1.535 7.154 1.00 0.00 C ATOM 776 C ARG A 53 -5.174 2.732 6.376 1.00 0.00 C ATOM 777 O ARG A 53 -6.249 3.248 6.678 1.00 0.00 O ATOM 778 CB ARG A 53 -5.720 0.465 7.281 1.00 0.00 C ATOM 779 CG ARG A 53 -5.172 -0.936 7.500 1.00 0.00 C ATOM 780 CD ARG A 53 -6.276 -1.981 7.446 1.00 0.00 C ATOM 781 NE ARG A 53 -7.160 -1.904 8.605 1.00 0.00 N ATOM 782 CZ ARG A 53 -7.952 -2.898 8.993 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.970 -4.038 8.316 1.00 0.00 N ATOM 784 NH2 ARG A 53 -8.728 -2.752 10.059 1.00 0.00 N ATOM 0 H ARG A 53 -4.911 2.179 9.129 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.788 1.120 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.377 0.723 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.331 0.470 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.422 -1.158 6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.670 -0.985 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.860 -1.845 6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.832 -2.975 7.394 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.170 -1.040 9.147 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.375 -4.153 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.579 -4.800 8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.717 -1.876 10.582 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.336 -3.516 10.356 1.00 0.00 H new ATOM 798 N GLY A 54 -4.418 3.168 5.373 1.00 0.00 N ATOM 799 CA GLY A 54 -4.836 4.301 4.568 1.00 0.00 C ATOM 800 C GLY A 54 -4.275 4.252 3.161 1.00 0.00 C ATOM 801 O GLY A 54 -3.359 3.479 2.877 1.00 0.00 O ATOM 0 H GLY A 54 -3.524 2.757 5.104 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.925 4.327 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.516 5.224 5.051 1.00 0.00 H new ATOM 805 N VAL A 55 -4.826 5.076 2.276 1.00 0.00 N ATOM 806 CA VAL A 55 -4.375 5.123 0.890 1.00 0.00 C ATOM 807 C VAL A 55 -3.184 6.061 0.731 1.00 0.00 C ATOM 808 O VAL A 55 -2.958 6.941 1.561 1.00 0.00 O ATOM 809 CB VAL A 55 -5.504 5.580 -0.053 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.638 4.565 -0.059 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.011 6.956 0.352 1.00 0.00 C ATOM 0 H VAL A 55 -5.586 5.721 2.494 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.075 4.110 0.621 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.104 5.648 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.427 4.904 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.261 3.601 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.039 4.462 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.808 7.264 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.395 6.917 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.193 7.675 0.300 1.00 0.00 H new ATOM 821 N PHE A 56 -2.425 5.868 -0.343 1.00 0.00 N ATOM 822 CA PHE A 56 -1.256 6.697 -0.611 1.00 0.00 C ATOM 823 C PHE A 56 -0.890 6.657 -2.092 1.00 0.00 C ATOM 824 O PHE A 56 -1.148 5.681 -2.796 1.00 0.00 O ATOM 825 CB PHE A 56 -0.067 6.229 0.232 1.00 0.00 C ATOM 826 CG PHE A 56 0.340 4.809 -0.043 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.846 4.447 -1.280 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.216 3.837 0.937 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.223 3.142 -1.536 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.591 2.531 0.688 1.00 0.00 C ATOM 831 CZ PHE A 56 1.094 2.182 -0.551 1.00 0.00 C ATOM 0 H PHE A 56 -2.599 5.145 -1.041 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.501 7.724 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.783 6.885 0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.319 6.329 1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.947 5.193 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.178 4.104 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.618 2.873 -2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.491 1.783 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.386 1.161 -0.749 1.00 0.00 H new ATOM 841 N PRO A 57 -0.274 7.746 -2.578 1.00 0.00 N ATOM 842 CA PRO A 57 0.141 7.861 -3.979 1.00 0.00 C ATOM 843 C PRO A 57 1.302 6.932 -4.319 1.00 0.00 C ATOM 844 O PRO A 57 2.391 7.055 -3.759 1.00 0.00 O ATOM 845 CB PRO A 57 0.573 9.324 -4.102 1.00 0.00 C ATOM 846 CG PRO A 57 0.964 9.721 -2.721 1.00 0.00 C ATOM 847 CD PRO A 57 0.065 8.947 -1.797 1.00 0.00 C ATOM 0 HA PRO A 57 -0.658 7.579 -4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.406 9.434 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.239 9.946 -4.478 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.012 9.489 -2.530 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.843 10.794 -2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.570 8.691 -0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.825 9.518 -1.531 1.00 0.00 H new ATOM 855 N ASP A 58 1.062 6.005 -5.239 1.00 0.00 N ATOM 856 CA ASP A 58 2.088 5.056 -5.654 1.00 0.00 C ATOM 857 C ASP A 58 3.349 5.784 -6.110 1.00 0.00 C ATOM 858 O ASP A 58 4.446 5.231 -6.069 1.00 0.00 O ATOM 859 CB ASP A 58 1.564 4.165 -6.781 1.00 0.00 C ATOM 860 CG ASP A 58 1.871 4.727 -8.154 1.00 0.00 C ATOM 861 OD1 ASP A 58 1.604 5.926 -8.379 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.380 3.968 -9.005 1.00 0.00 O ATOM 0 H ASP A 58 0.166 5.890 -5.712 1.00 0.00 H new ATOM 0 HA ASP A 58 2.339 4.433 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.006 3.173 -6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.486 4.045 -6.674 1.00 0.00 H new ATOM 867 N ASN A 59 3.182 7.029 -6.546 1.00 0.00 N ATOM 868 CA ASN A 59 4.306 7.833 -7.011 1.00 0.00 C ATOM 869 C ASN A 59 5.274 8.127 -5.869 1.00 0.00 C ATOM 870 O ASN A 59 6.481 8.248 -6.080 1.00 0.00 O ATOM 871 CB ASN A 59 3.805 9.144 -7.620 1.00 0.00 C ATOM 872 CG ASN A 59 3.434 8.997 -9.084 1.00 0.00 C ATOM 873 OD1 ASN A 59 3.211 7.888 -9.570 1.00 0.00 O ATOM 874 ND2 ASN A 59 3.368 10.118 -9.792 1.00 0.00 N ATOM 0 H ASN A 59 2.279 7.502 -6.587 1.00 0.00 H new ATOM 0 HA ASN A 59 4.836 7.264 -7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.937 9.493 -7.061 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.577 9.907 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.124 10.082 -10.782 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.561 11.015 -9.346 1.00 0.00 H new ATOM 881 N PHE A 60 4.737 8.241 -4.659 1.00 0.00 N ATOM 882 CA PHE A 60 5.552 8.521 -3.483 1.00 0.00 C ATOM 883 C PHE A 60 6.229 7.251 -2.975 1.00 0.00 C ATOM 884 O PHE A 60 7.007 7.288 -2.022 1.00 0.00 O ATOM 885 CB PHE A 60 4.693 9.133 -2.375 1.00 0.00 C ATOM 886 CG PHE A 60 4.342 10.574 -2.615 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.561 10.939 -3.700 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.792 11.563 -1.756 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.237 12.263 -3.923 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.471 12.889 -1.974 1.00 0.00 C ATOM 891 CZ PHE A 60 3.692 13.240 -3.059 1.00 0.00 C ATOM 0 H PHE A 60 3.740 8.144 -4.467 1.00 0.00 H new ATOM 0 HA PHE A 60 6.325 9.234 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.774 8.555 -2.278 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.224 9.050 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.202 10.180 -4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.401 11.294 -0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.628 12.534 -4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.829 13.650 -1.297 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.439 14.276 -3.232 1.00 0.00 H new ATOM 901 N VAL A 61 5.925 6.128 -3.619 1.00 0.00 N ATOM 902 CA VAL A 61 6.504 4.847 -3.234 1.00 0.00 C ATOM 903 C VAL A 61 6.932 4.046 -4.459 1.00 0.00 C ATOM 904 O VAL A 61 6.704 4.461 -5.596 1.00 0.00 O ATOM 905 CB VAL A 61 5.511 4.008 -2.408 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.139 4.733 -1.123 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.270 3.691 -3.229 1.00 0.00 C ATOM 0 H VAL A 61 5.282 6.080 -4.409 1.00 0.00 H new ATOM 0 HA VAL A 61 7.380 5.067 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 61 5.992 3.067 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.437 4.125 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.037 4.904 -0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.677 5.690 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.579 3.098 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.785 4.620 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.556 3.128 -4.118 1.00 0.00 H new ATOM 917 N LYS A 62 7.554 2.897 -4.220 1.00 0.00 N ATOM 918 CA LYS A 62 8.013 2.035 -5.303 1.00 0.00 C ATOM 919 C LYS A 62 7.900 0.565 -4.914 1.00 0.00 C ATOM 920 O LYS A 62 8.010 0.213 -3.739 1.00 0.00 O ATOM 921 CB LYS A 62 9.462 2.368 -5.667 1.00 0.00 C ATOM 922 CG LYS A 62 9.611 3.664 -6.445 1.00 0.00 C ATOM 923 CD LYS A 62 9.501 3.432 -7.942 1.00 0.00 C ATOM 924 CE LYS A 62 8.060 3.533 -8.417 1.00 0.00 C ATOM 925 NZ LYS A 62 7.972 3.666 -9.898 1.00 0.00 N ATOM 0 H LYS A 62 7.752 2.541 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 62 7.377 2.212 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.052 2.433 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.877 1.550 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.843 4.370 -6.128 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.575 4.118 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.112 4.164 -8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.898 2.448 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.510 2.648 -8.099 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.582 4.392 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.974 3.732 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.475 4.525 -10.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.405 2.834 -10.348 1.00 0.00 H new ATOM 939 N LEU A 63 7.681 -0.290 -5.907 1.00 0.00 N ATOM 940 CA LEU A 63 7.555 -1.724 -5.669 1.00 0.00 C ATOM 941 C LEU A 63 8.923 -2.397 -5.665 1.00 0.00 C ATOM 942 O LEU A 63 9.663 -2.331 -6.648 1.00 0.00 O ATOM 943 CB LEU A 63 6.663 -2.361 -6.735 1.00 0.00 C ATOM 944 CG LEU A 63 5.168 -2.416 -6.414 1.00 0.00 C ATOM 945 CD1 LEU A 63 4.902 -3.393 -5.279 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.647 -1.031 -6.062 1.00 0.00 C ATOM 0 H LEU A 63 7.587 -0.015 -6.885 1.00 0.00 H new ATOM 0 HA LEU A 63 7.098 -1.866 -4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.794 -1.810 -7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.014 -3.378 -6.914 1.00 0.00 H new ATOM 0 HG LEU A 63 4.638 -2.767 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.834 -3.419 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.238 -4.388 -5.569 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.443 -3.073 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.582 -1.089 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.182 -0.651 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.803 -0.358 -6.905 1.00 0.00 H new ATOM 958 N LEU A 64 9.254 -3.048 -4.555 1.00 0.00 N ATOM 959 CA LEU A 64 10.533 -3.737 -4.424 1.00 0.00 C ATOM 960 C LEU A 64 10.429 -5.177 -4.915 1.00 0.00 C ATOM 961 O LEU A 64 9.331 -5.696 -5.121 1.00 0.00 O ATOM 962 CB LEU A 64 10.999 -3.715 -2.967 1.00 0.00 C ATOM 963 CG LEU A 64 11.110 -2.336 -2.318 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.884 -2.432 -0.817 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.466 -1.713 -2.616 1.00 0.00 C ATOM 0 H LEU A 64 8.654 -3.113 -3.733 1.00 0.00 H new ATOM 0 HA LEU A 64 11.264 -3.215 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.309 -4.318 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.973 -4.200 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 64 10.337 -1.694 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.967 -1.440 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.890 -2.834 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.633 -3.090 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.527 -0.731 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.255 -2.353 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.589 -1.607 -3.694 1.00 0.00 H new ATOM 977 N SER A 65 11.578 -5.819 -5.100 1.00 0.00 N ATOM 978 CA SER A 65 11.616 -7.199 -5.569 1.00 0.00 C ATOM 979 C SER A 65 11.941 -8.153 -4.423 1.00 0.00 C ATOM 980 O SER A 65 13.021 -8.093 -3.838 1.00 0.00 O ATOM 981 CB SER A 65 12.651 -7.353 -6.685 1.00 0.00 C ATOM 982 OG SER A 65 12.742 -8.700 -7.114 1.00 0.00 O ATOM 0 H SER A 65 12.495 -5.405 -4.932 1.00 0.00 H new ATOM 0 HA SER A 65 10.630 -7.451 -5.961 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.379 -6.717 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.625 -7.014 -6.331 1.00 0.00 H new ATOM 0 HG SER A 65 13.409 -8.771 -7.828 1.00 0.00 H new ATOM 988 N GLY A 66 10.996 -9.034 -4.109 1.00 0.00 N ATOM 989 CA GLY A 66 11.199 -9.988 -3.035 1.00 0.00 C ATOM 990 C GLY A 66 12.223 -11.049 -3.388 1.00 0.00 C ATOM 991 O GLY A 66 13.430 -10.844 -3.257 1.00 0.00 O ATOM 0 H GLY A 66 10.094 -9.104 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.523 -9.458 -2.139 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.250 -10.468 -2.796 1.00 0.00 H new ATOM 995 N PRO A 67 11.741 -12.213 -3.846 1.00 0.00 N ATOM 996 CA PRO A 67 12.607 -13.333 -4.227 1.00 0.00 C ATOM 997 C PRO A 67 13.398 -13.048 -5.499 1.00 0.00 C ATOM 998 O PRO A 67 12.823 -12.879 -6.574 1.00 0.00 O ATOM 999 CB PRO A 67 11.621 -14.482 -4.456 1.00 0.00 C ATOM 1000 CG PRO A 67 10.336 -13.814 -4.805 1.00 0.00 C ATOM 1001 CD PRO A 67 10.314 -12.527 -4.028 1.00 0.00 C ATOM 0 HA PRO A 67 13.359 -13.544 -3.467 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.957 -15.138 -5.259 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.517 -15.098 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 67 10.273 -13.624 -5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.485 -14.443 -4.542 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.795 -11.738 -4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.803 -12.644 -3.072 1.00 0.00 H new ATOM 1009 N SER A 68 14.720 -12.996 -5.369 1.00 0.00 N ATOM 1010 CA SER A 68 15.590 -12.728 -6.509 1.00 0.00 C ATOM 1011 C SER A 68 15.884 -14.010 -7.281 1.00 0.00 C ATOM 1012 O SER A 68 16.140 -15.059 -6.690 1.00 0.00 O ATOM 1013 CB SER A 68 16.899 -12.090 -6.039 1.00 0.00 C ATOM 1014 OG SER A 68 16.791 -10.678 -5.996 1.00 0.00 O ATOM 0 H SER A 68 15.212 -13.136 -4.486 1.00 0.00 H new ATOM 0 HA SER A 68 15.074 -12.035 -7.174 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.157 -12.468 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.708 -12.376 -6.711 1.00 0.00 H new ATOM 0 HG SER A 68 17.640 -10.294 -5.691 1.00 0.00 H new ATOM 1020 N SER A 69 15.845 -13.917 -8.606 1.00 0.00 N ATOM 1021 CA SER A 69 16.103 -15.070 -9.462 1.00 0.00 C ATOM 1022 C SER A 69 17.474 -15.670 -9.165 1.00 0.00 C ATOM 1023 O SER A 69 17.589 -16.846 -8.821 1.00 0.00 O ATOM 1024 CB SER A 69 16.018 -14.668 -10.935 1.00 0.00 C ATOM 1025 OG SER A 69 15.950 -15.809 -11.772 1.00 0.00 O ATOM 0 H SER A 69 15.637 -13.055 -9.111 1.00 0.00 H new ATOM 0 HA SER A 69 15.343 -15.823 -9.254 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.139 -14.043 -11.095 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.888 -14.068 -11.202 1.00 0.00 H new ATOM 0 HG SER A 69 15.895 -15.525 -12.708 1.00 0.00 H new ATOM 1031 N GLY A 70 18.514 -14.851 -9.301 1.00 0.00 N ATOM 1032 CA GLY A 70 19.864 -15.318 -9.044 1.00 0.00 C ATOM 1033 C GLY A 70 20.515 -14.597 -7.881 1.00 0.00 C ATOM 1034 O GLY A 70 21.298 -15.186 -7.137 1.00 0.00 O ATOM 0 H GLY A 70 18.445 -13.874 -9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 70 19.842 -16.388 -8.838 1.00 0.00 H new ATOM 0 HA3 GLY A 70 20.470 -15.178 -9.939 1.00 0.00 H new TER 1038 GLY A 70