USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 584 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 22 ASN : amide:sc= 1.25 K(o=1.4,f=-5.9!) USER MOD Set 1.2: A 26 GLN : amide:sc= 0.134 X(o=1.4,f=1) USER MOD Set 2.1: A 6 SER OG : rot -0:sc= -1.39! USER MOD Set 2.2: A 71 LYS NZ :NH3+ 157:sc= 1.22 (180deg=-0.257) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -21:sc= 0.964 USER MOD Single : A 5 MET CE :methyl -162:sc= -0.462 (180deg=-1.35) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 14 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.33) USER MOD Single : A 16 SER OG : rot 180:sc= -0.263 USER MOD Single : A 27 HIS : no HD1:sc= -0.0298 X(o=-0.03,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.279 USER MOD Single : A 44 HIS : no HD1:sc= -0.225 K(o=-0.22,f=-1.1) USER MOD Single : A 52 CYS SG : rot -87:sc= -5.12! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -0.81 K(o=-0.81,f=-1.5) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc= -2.01 (180deg=-4.11!) USER MOD Single : A 67 SER OG : rot 40:sc= 0.0641 USER MOD Single : A 74 THR OG1 : rot 54:sc= 0.0933 USER MOD Single : A 80 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.352 -0.552 -3.245 1.00 64.54 N ATOM 2 CA GLY A 1 4.897 -0.208 -4.614 1.00 63.31 C ATOM 3 C GLY A 1 3.392 -0.037 -4.678 1.00 45.41 C ATOM 4 O GLY A 1 2.662 -1.030 -4.725 1.00 52.30 O ATOM 0 H1 GLY A 1 6.386 -0.661 -3.240 1.00 64.54 H new ATOM 0 H2 GLY A 1 5.081 0.207 -2.588 1.00 64.54 H new ATOM 0 H3 GLY A 1 4.908 -1.444 -2.946 1.00 64.54 H new ATOM 0 HA2 GLY A 1 5.382 0.713 -4.938 1.00 63.31 H new ATOM 0 HA3 GLY A 1 5.204 -0.991 -5.307 1.00 63.31 H new ATOM 10 N PRO A 2 2.891 1.213 -4.683 1.00 71.21 N ATOM 11 CA PRO A 2 1.454 1.486 -4.645 1.00 1.44 C ATOM 12 C PRO A 2 0.796 1.377 -6.021 1.00 72.44 C ATOM 13 O PRO A 2 1.367 1.788 -7.035 1.00 54.42 O ATOM 14 CB PRO A 2 1.404 2.926 -4.126 1.00 51.43 C ATOM 15 CG PRO A 2 2.639 3.558 -4.675 1.00 23.45 C ATOM 16 CD PRO A 2 3.683 2.463 -4.738 1.00 11.23 C ATOM 0 HA PRO A 2 0.909 0.770 -4.029 1.00 1.44 H new ATOM 0 HB2 PRO A 2 0.507 3.442 -4.469 1.00 51.43 H new ATOM 0 HB3 PRO A 2 1.392 2.956 -3.036 1.00 51.43 H new ATOM 0 HG2 PRO A 2 2.455 3.977 -5.664 1.00 23.45 H new ATOM 0 HG3 PRO A 2 2.973 4.378 -4.038 1.00 23.45 H new ATOM 0 HD2 PRO A 2 4.271 2.524 -5.654 1.00 11.23 H new ATOM 0 HD3 PRO A 2 4.383 2.530 -3.905 1.00 11.23 H new ATOM 24 N GLY A 3 -0.405 0.813 -6.045 1.00 40.44 N ATOM 25 CA GLY A 3 -1.175 0.742 -7.268 1.00 52.53 C ATOM 26 C GLY A 3 -0.767 -0.413 -8.157 1.00 44.43 C ATOM 27 O GLY A 3 -0.970 -1.576 -7.799 1.00 41.21 O ATOM 0 H GLY A 3 -0.861 0.401 -5.231 1.00 40.44 H new ATOM 0 HA2 GLY A 3 -2.232 0.647 -7.020 1.00 52.53 H new ATOM 0 HA3 GLY A 3 -1.059 1.676 -7.819 1.00 52.53 H new ATOM 31 N SER A 4 -0.176 -0.100 -9.305 1.00 41.10 N ATOM 32 CA SER A 4 0.120 -1.105 -10.314 1.00 64.44 C ATOM 33 C SER A 4 1.557 -1.612 -10.206 1.00 54.20 C ATOM 34 O SER A 4 2.503 -0.927 -10.601 1.00 10.33 O ATOM 35 CB SER A 4 -0.111 -0.510 -11.703 1.00 64.41 C ATOM 36 OG SER A 4 -1.393 0.088 -11.799 1.00 10.53 O ATOM 0 H SER A 4 0.108 0.846 -9.559 1.00 41.10 H new ATOM 0 HA SER A 4 -0.544 -1.953 -10.150 1.00 64.44 H new ATOM 0 HB2 SER A 4 0.657 0.234 -11.915 1.00 64.41 H new ATOM 0 HB3 SER A 4 -0.014 -1.291 -12.457 1.00 64.41 H new ATOM 0 HG SER A 4 -1.979 -0.282 -11.107 1.00 10.53 H new ATOM 42 N MET A 5 1.714 -2.796 -9.625 1.00 31.34 N ATOM 43 CA MET A 5 2.957 -3.557 -9.724 1.00 4.33 C ATOM 44 C MET A 5 2.767 -4.701 -10.711 1.00 34.52 C ATOM 45 O MET A 5 3.698 -5.116 -11.398 1.00 40.22 O ATOM 46 CB MET A 5 3.384 -4.082 -8.349 1.00 72.43 C ATOM 47 CG MET A 5 3.791 -2.979 -7.380 1.00 13.45 C ATOM 48 SD MET A 5 5.152 -1.976 -8.009 1.00 24.43 S ATOM 49 CE MET A 5 6.337 -3.257 -8.415 1.00 72.00 C ATOM 0 H MET A 5 0.988 -3.255 -9.074 1.00 31.34 H new ATOM 0 HA MET A 5 3.752 -2.904 -10.085 1.00 4.33 H new ATOM 0 HB2 MET A 5 2.563 -4.652 -7.915 1.00 72.43 H new ATOM 0 HB3 MET A 5 4.219 -4.771 -8.475 1.00 72.43 H new ATOM 0 HG2 MET A 5 2.932 -2.338 -7.183 1.00 13.45 H new ATOM 0 HG3 MET A 5 4.081 -3.424 -6.428 1.00 13.45 H new ATOM 0 HE1 MET A 5 7.330 -2.817 -8.510 1.00 72.00 H new ATOM 0 HE2 MET A 5 6.347 -4.007 -7.624 1.00 72.00 H new ATOM 0 HE3 MET A 5 6.056 -3.727 -9.358 1.00 72.00 H new ATOM 59 N SER A 6 1.544 -5.210 -10.758 1.00 74.20 N ATOM 60 CA SER A 6 1.157 -6.251 -11.705 1.00 0.11 C ATOM 61 C SER A 6 -0.302 -6.047 -12.126 1.00 25.10 C ATOM 62 O SER A 6 -1.199 -5.981 -11.282 1.00 15.20 O ATOM 63 CB SER A 6 1.356 -7.639 -11.080 1.00 43.50 C ATOM 64 OG SER A 6 2.713 -7.831 -10.703 1.00 53.04 O ATOM 0 H SER A 6 0.789 -4.913 -10.140 1.00 74.20 H new ATOM 0 HA SER A 6 1.789 -6.186 -12.591 1.00 0.11 H new ATOM 0 HB2 SER A 6 0.712 -7.746 -10.207 1.00 43.50 H new ATOM 0 HB3 SER A 6 1.059 -8.410 -11.791 1.00 43.50 H new ATOM 0 HG SER A 6 3.231 -7.030 -10.927 1.00 53.04 H new ATOM 70 N ILE A 7 -0.524 -5.926 -13.432 1.00 31.23 N ATOM 71 CA ILE A 7 -1.853 -5.673 -13.983 1.00 15.14 C ATOM 72 C ILE A 7 -2.521 -6.985 -14.392 1.00 55.21 C ATOM 73 O ILE A 7 -1.840 -7.963 -14.698 1.00 65.33 O ATOM 74 CB ILE A 7 -1.770 -4.732 -15.219 1.00 4.15 C ATOM 75 CG1 ILE A 7 -1.137 -3.388 -14.828 1.00 23.20 C ATOM 76 CG2 ILE A 7 -3.151 -4.511 -15.841 1.00 34.01 C ATOM 77 CD1 ILE A 7 -1.949 -2.597 -13.822 1.00 34.15 C ATOM 0 H ILE A 7 0.210 -6.000 -14.137 1.00 31.23 H new ATOM 0 HA ILE A 7 -2.448 -5.190 -13.208 1.00 15.14 H new ATOM 0 HB ILE A 7 -1.139 -5.213 -15.966 1.00 4.15 H new ATOM 0 HG12 ILE A 7 -0.145 -3.571 -14.416 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -1.003 -2.785 -15.726 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -3.060 -3.849 -16.702 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -3.564 -5.468 -16.160 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -3.814 -4.058 -15.104 1.00 34.01 H new ATOM 0 HD11 ILE A 7 -1.437 -1.661 -13.596 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -2.933 -2.381 -14.238 1.00 34.15 H new ATOM 0 HD13 ILE A 7 -2.061 -3.179 -12.907 1.00 34.15 H new ATOM 89 N ASN A 8 -3.853 -7.000 -14.383 1.00 54.12 N ATOM 90 CA ASN A 8 -4.629 -8.133 -14.892 1.00 25.44 C ATOM 91 C ASN A 8 -5.252 -7.746 -16.235 1.00 50.11 C ATOM 92 O ASN A 8 -6.380 -7.249 -16.284 1.00 64.43 O ATOM 93 CB ASN A 8 -5.724 -8.542 -13.890 1.00 20.10 C ATOM 94 CG ASN A 8 -5.160 -9.063 -12.577 1.00 43.15 C ATOM 95 OD1 ASN A 8 -4.073 -9.639 -12.539 1.00 32.04 O ATOM 96 ND2 ASN A 8 -5.897 -8.871 -11.492 1.00 53.11 N ATOM 0 H ASN A 8 -4.423 -6.233 -14.026 1.00 54.12 H new ATOM 0 HA ASN A 8 -3.967 -8.988 -15.028 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -6.365 -7.683 -13.689 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -6.353 -9.310 -14.340 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -5.568 -9.205 -10.586 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -6.793 -8.389 -11.563 1.00 53.11 H new ATOM 103 N PRO A 9 -4.502 -7.918 -17.340 1.00 24.42 N ATOM 104 CA PRO A 9 -4.919 -7.484 -18.664 1.00 34.30 C ATOM 105 C PRO A 9 -5.572 -8.602 -19.477 1.00 64.14 C ATOM 106 O PRO A 9 -5.148 -9.758 -19.419 1.00 71.44 O ATOM 107 CB PRO A 9 -3.585 -7.063 -19.284 1.00 41.24 C ATOM 108 CG PRO A 9 -2.564 -7.977 -18.667 1.00 53.41 C ATOM 109 CD PRO A 9 -3.174 -8.551 -17.401 1.00 62.43 C ATOM 0 HA PRO A 9 -5.677 -6.702 -18.636 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -3.604 -7.167 -20.369 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -3.361 -6.018 -19.068 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -2.295 -8.775 -19.359 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -1.649 -7.431 -18.439 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -3.249 -9.637 -17.449 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -2.575 -8.311 -16.523 1.00 62.43 H new ATOM 117 N PHE A 10 -6.605 -8.247 -20.230 1.00 40.41 N ATOM 118 CA PHE A 10 -7.297 -9.198 -21.090 1.00 31.52 C ATOM 119 C PHE A 10 -6.353 -9.739 -22.166 1.00 72.32 C ATOM 120 O PHE A 10 -6.296 -10.946 -22.405 1.00 51.11 O ATOM 121 CB PHE A 10 -8.521 -8.529 -21.736 1.00 3.43 C ATOM 122 CG PHE A 10 -9.315 -9.443 -22.638 1.00 33.53 C ATOM 123 CD1 PHE A 10 -10.214 -10.359 -22.107 1.00 15.31 C ATOM 124 CD2 PHE A 10 -9.162 -9.387 -24.017 1.00 51.51 C ATOM 125 CE1 PHE A 10 -10.944 -11.195 -22.932 1.00 50.24 C ATOM 126 CE2 PHE A 10 -9.890 -10.221 -24.844 1.00 54.40 C ATOM 127 CZ PHE A 10 -10.781 -11.126 -24.302 1.00 35.42 C ATOM 0 H PHE A 10 -6.984 -7.301 -20.262 1.00 40.41 H new ATOM 0 HA PHE A 10 -7.635 -10.037 -20.481 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -9.175 -8.154 -20.949 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -8.189 -7.666 -22.312 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -10.345 -10.419 -21.037 1.00 15.31 H new ATOM 0 HD2 PHE A 10 -8.466 -8.683 -24.448 1.00 51.51 H new ATOM 0 HE1 PHE A 10 -11.641 -11.901 -22.506 1.00 50.24 H new ATOM 0 HE2 PHE A 10 -9.762 -10.165 -25.915 1.00 54.40 H new ATOM 0 HZ PHE A 10 -11.349 -11.779 -24.948 1.00 35.42 H new ATOM 137 N ASP A 11 -5.605 -8.837 -22.801 1.00 1.54 N ATOM 138 CA ASP A 11 -4.718 -9.202 -23.910 1.00 3.31 C ATOM 139 C ASP A 11 -3.248 -8.952 -23.554 1.00 75.40 C ATOM 140 O ASP A 11 -2.392 -9.796 -23.819 1.00 13.31 O ATOM 141 CB ASP A 11 -5.091 -8.405 -25.170 1.00 60.33 C ATOM 142 CG ASP A 11 -4.781 -6.919 -25.041 1.00 70.42 C ATOM 143 OD1 ASP A 11 -5.363 -6.263 -24.149 1.00 63.02 O ATOM 144 OD2 ASP A 11 -3.930 -6.414 -25.804 1.00 15.20 O ATOM 0 H ASP A 11 -5.595 -7.844 -22.567 1.00 1.54 H new ATOM 0 HA ASP A 11 -4.845 -10.267 -24.103 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -4.551 -8.811 -26.025 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -6.154 -8.533 -25.374 1.00 60.33 H new ATOM 149 N ASP A 12 -2.967 -7.773 -22.979 1.00 41.24 N ATOM 150 CA ASP A 12 -1.600 -7.361 -22.587 1.00 42.44 C ATOM 151 C ASP A 12 -0.745 -6.991 -23.805 1.00 73.54 C ATOM 152 O ASP A 12 0.335 -6.417 -23.658 1.00 63.12 O ATOM 153 CB ASP A 12 -0.889 -8.455 -21.759 1.00 5.22 C ATOM 154 CG ASP A 12 0.503 -8.039 -21.275 1.00 31.25 C ATOM 155 OD1 ASP A 12 0.597 -7.298 -20.270 1.00 43.52 O ATOM 156 OD2 ASP A 12 1.514 -8.450 -21.895 1.00 14.35 O ATOM 0 H ASP A 12 -3.679 -7.073 -22.770 1.00 41.24 H new ATOM 0 HA ASP A 12 -1.712 -6.474 -21.964 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -1.506 -8.707 -20.896 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -0.801 -9.358 -22.363 1.00 5.22 H new ATOM 161 N ASP A 13 -1.237 -7.292 -25.004 1.00 11.11 N ATOM 162 CA ASP A 13 -0.468 -7.061 -26.224 1.00 23.12 C ATOM 163 C ASP A 13 -0.405 -5.576 -26.554 1.00 30.54 C ATOM 164 O ASP A 13 0.678 -4.987 -26.600 1.00 12.41 O ATOM 165 CB ASP A 13 -1.068 -7.829 -27.406 1.00 74.53 C ATOM 166 CG ASP A 13 -0.257 -7.645 -28.683 1.00 12.31 C ATOM 167 OD1 ASP A 13 0.823 -8.264 -28.795 1.00 60.13 O ATOM 168 OD2 ASP A 13 -0.685 -6.876 -29.574 1.00 73.14 O ATOM 0 H ASP A 13 -2.161 -7.695 -25.157 1.00 11.11 H new ATOM 0 HA ASP A 13 0.544 -7.426 -26.047 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -1.119 -8.890 -27.160 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -2.091 -7.491 -27.575 1.00 74.53 H new ATOM 173 N ASN A 14 -1.573 -4.976 -26.772 1.00 10.01 N ATOM 174 CA ASN A 14 -1.654 -3.561 -27.123 1.00 44.32 C ATOM 175 C ASN A 14 -1.587 -2.709 -25.859 1.00 62.12 C ATOM 176 O ASN A 14 -1.080 -1.586 -25.876 1.00 31.00 O ATOM 177 CB ASN A 14 -2.957 -3.278 -27.883 1.00 31.51 C ATOM 178 CG ASN A 14 -3.007 -1.871 -28.463 1.00 23.43 C ATOM 179 OD1 ASN A 14 -3.494 -0.937 -27.829 1.00 1.41 O ATOM 180 ND2 ASN A 14 -2.492 -1.710 -29.676 1.00 73.33 N ATOM 0 H ASN A 14 -2.475 -5.448 -26.712 1.00 10.01 H new ATOM 0 HA ASN A 14 -0.812 -3.307 -27.767 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -3.067 -4.003 -28.690 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -3.803 -3.419 -27.210 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -2.492 -0.788 -30.112 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -2.096 -2.509 -30.172 1.00 73.33 H new ATOM 187 N GLY A 15 -2.082 -3.276 -24.759 1.00 55.21 N ATOM 188 CA GLY A 15 -2.039 -2.603 -23.474 1.00 55.10 C ATOM 189 C GLY A 15 -2.806 -1.292 -23.473 1.00 5.11 C ATOM 190 O GLY A 15 -4.020 -1.274 -23.691 1.00 2.02 O ATOM 0 H GLY A 15 -2.516 -4.199 -24.738 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -2.452 -3.261 -22.710 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -1.001 -2.412 -23.203 1.00 55.10 H new ATOM 194 N SER A 16 -2.090 -0.198 -23.226 1.00 4.14 N ATOM 195 CA SER A 16 -2.677 1.136 -23.137 1.00 63.44 C ATOM 196 C SER A 16 -1.581 2.185 -23.329 1.00 71.32 C ATOM 197 O SER A 16 -0.417 1.837 -23.513 1.00 2.12 O ATOM 198 CB SER A 16 -3.353 1.337 -21.769 1.00 1.03 C ATOM 199 OG SER A 16 -4.299 0.317 -21.496 1.00 70.32 O ATOM 0 H SER A 16 -1.080 -0.212 -23.081 1.00 4.14 H new ATOM 0 HA SER A 16 -3.431 1.244 -23.917 1.00 63.44 H new ATOM 0 HB2 SER A 16 -2.594 1.348 -20.986 1.00 1.03 H new ATOM 0 HB3 SER A 16 -3.848 2.308 -21.747 1.00 1.03 H new ATOM 0 HG SER A 16 -4.707 0.476 -20.619 1.00 70.32 H new ATOM 205 N PHE A 17 -1.959 3.461 -23.273 1.00 33.31 N ATOM 206 CA PHE A 17 -0.981 4.561 -23.282 1.00 3.42 C ATOM 207 C PHE A 17 -0.152 4.508 -21.987 1.00 71.15 C ATOM 208 O PHE A 17 -0.216 3.515 -21.259 1.00 4.05 O ATOM 209 CB PHE A 17 -1.756 5.890 -23.382 1.00 25.25 C ATOM 210 CG PHE A 17 -0.929 7.116 -23.689 1.00 23.11 C ATOM 211 CD1 PHE A 17 -0.138 7.170 -24.825 1.00 74.21 C ATOM 212 CD2 PHE A 17 -0.957 8.219 -22.846 1.00 3.25 C ATOM 213 CE1 PHE A 17 0.609 8.296 -25.114 1.00 70.22 C ATOM 214 CE2 PHE A 17 -0.213 9.346 -23.130 1.00 25.21 C ATOM 215 CZ PHE A 17 0.571 9.386 -24.265 1.00 45.40 C ATOM 0 H PHE A 17 -2.932 3.764 -23.221 1.00 33.31 H new ATOM 0 HA PHE A 17 -0.301 4.474 -24.129 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -2.517 5.787 -24.155 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.279 6.055 -22.440 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -0.105 6.322 -25.493 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -1.569 8.195 -21.956 1.00 3.25 H new ATOM 0 HE1 PHE A 17 1.222 8.324 -26.003 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -0.244 10.196 -22.465 1.00 25.21 H new ATOM 0 HZ PHE A 17 1.154 10.267 -24.489 1.00 45.40 H new ATOM 225 N PHE A 18 0.583 5.567 -21.652 1.00 10.51 N ATOM 226 CA PHE A 18 1.550 5.480 -20.564 1.00 50.04 C ATOM 227 C PHE A 18 1.282 6.546 -19.526 1.00 10.14 C ATOM 228 O PHE A 18 1.006 7.701 -19.851 1.00 64.22 O ATOM 229 CB PHE A 18 2.998 5.583 -21.085 1.00 0.03 C ATOM 230 CG PHE A 18 3.389 6.900 -21.717 1.00 53.34 C ATOM 231 CD1 PHE A 18 3.870 7.947 -20.940 1.00 52.42 C ATOM 232 CD2 PHE A 18 3.311 7.077 -23.092 1.00 61.11 C ATOM 233 CE1 PHE A 18 4.254 9.140 -21.520 1.00 42.02 C ATOM 234 CE2 PHE A 18 3.701 8.268 -23.676 1.00 74.44 C ATOM 235 CZ PHE A 18 4.171 9.301 -22.889 1.00 11.54 C ATOM 0 H PHE A 18 0.529 6.477 -22.109 1.00 10.51 H new ATOM 0 HA PHE A 18 1.434 4.502 -20.097 1.00 50.04 H new ATOM 0 HB2 PHE A 18 3.676 5.387 -20.254 1.00 0.03 H new ATOM 0 HB3 PHE A 18 3.155 4.791 -21.818 1.00 0.03 H new ATOM 0 HD1 PHE A 18 3.944 7.826 -19.869 1.00 52.42 H new ATOM 0 HD2 PHE A 18 2.941 6.274 -23.713 1.00 61.11 H new ATOM 0 HE1 PHE A 18 4.619 9.947 -20.903 1.00 42.02 H new ATOM 0 HE2 PHE A 18 3.638 8.390 -24.747 1.00 74.44 H new ATOM 0 HZ PHE A 18 4.473 10.233 -23.343 1.00 11.54 H new ATOM 245 N VAL A 19 1.355 6.128 -18.265 1.00 64.01 N ATOM 246 CA VAL A 19 0.916 6.955 -17.145 1.00 61.04 C ATOM 247 C VAL A 19 1.829 6.749 -15.934 1.00 43.40 C ATOM 248 O VAL A 19 2.123 5.607 -15.538 1.00 52.44 O ATOM 249 CB VAL A 19 -0.554 6.635 -16.735 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.023 7.569 -15.622 1.00 65.33 C ATOM 251 CG2 VAL A 19 -1.504 6.707 -17.935 1.00 2.33 C ATOM 0 H VAL A 19 1.717 5.214 -17.992 1.00 64.01 H new ATOM 0 HA VAL A 19 0.968 7.993 -17.474 1.00 61.04 H new ATOM 0 HB VAL A 19 -0.572 5.612 -16.359 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.051 7.327 -15.353 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.381 7.447 -14.750 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -0.972 8.601 -15.968 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -2.519 6.478 -17.610 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -1.477 7.710 -18.361 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -1.193 5.984 -18.689 1.00 2.33 H new ATOM 261 N LEU A 20 2.270 7.859 -15.353 1.00 71.33 N ATOM 262 CA LEU A 20 3.137 7.846 -14.182 1.00 52.24 C ATOM 263 C LEU A 20 2.394 8.407 -12.970 1.00 2.41 C ATOM 264 O LEU A 20 1.894 9.529 -13.010 1.00 61.32 O ATOM 265 CB LEU A 20 4.392 8.690 -14.452 1.00 34.34 C ATOM 266 CG LEU A 20 5.434 8.693 -13.326 1.00 23.03 C ATOM 267 CD1 LEU A 20 6.068 7.314 -13.185 1.00 45.00 C ATOM 268 CD2 LEU A 20 6.494 9.763 -13.571 1.00 31.20 C ATOM 0 H LEU A 20 2.035 8.795 -15.682 1.00 71.33 H new ATOM 0 HA LEU A 20 3.431 6.817 -13.975 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.866 8.325 -15.363 1.00 34.34 H new ATOM 0 HB3 LEU A 20 4.084 9.718 -14.643 1.00 34.34 H new ATOM 0 HG LEU A 20 4.930 8.933 -12.390 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.805 7.333 -12.382 1.00 45.00 H new ATOM 0 HD12 LEU A 20 5.296 6.581 -12.952 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.557 7.041 -14.120 1.00 45.00 H new ATOM 0 HD21 LEU A 20 7.222 9.746 -12.760 1.00 31.20 H new ATOM 0 HD22 LEU A 20 6.999 9.565 -14.516 1.00 31.20 H new ATOM 0 HD23 LEU A 20 6.019 10.743 -13.612 1.00 31.20 H new ATOM 280 N VAL A 21 2.313 7.627 -11.903 1.00 52.14 N ATOM 281 CA VAL A 21 1.725 8.091 -10.648 1.00 71.23 C ATOM 282 C VAL A 21 2.823 8.263 -9.600 1.00 12.22 C ATOM 283 O VAL A 21 3.992 7.989 -9.873 1.00 72.33 O ATOM 284 CB VAL A 21 0.636 7.115 -10.122 1.00 12.52 C ATOM 285 CG1 VAL A 21 -0.495 6.967 -11.140 1.00 73.44 C ATOM 286 CG2 VAL A 21 1.237 5.753 -9.774 1.00 14.24 C ATOM 0 H VAL A 21 2.648 6.664 -11.878 1.00 52.14 H new ATOM 0 HA VAL A 21 1.241 9.049 -10.839 1.00 71.23 H new ATOM 0 HB VAL A 21 0.219 7.538 -9.208 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -1.246 6.279 -10.752 1.00 73.44 H new ATOM 0 HG12 VAL A 21 -0.952 7.940 -11.320 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.094 6.576 -12.075 1.00 73.44 H new ATOM 0 HG21 VAL A 21 0.452 5.091 -9.409 1.00 14.24 H new ATOM 0 HG22 VAL A 21 1.693 5.319 -10.664 1.00 14.24 H new ATOM 0 HG23 VAL A 21 1.996 5.877 -9.001 1.00 14.24 H new ATOM 296 N ASN A 22 2.459 8.731 -8.416 1.00 5.53 N ATOM 297 CA ASN A 22 3.426 8.919 -7.337 1.00 74.14 C ATOM 298 C ASN A 22 2.789 8.601 -5.988 1.00 13.30 C ATOM 299 O ASN A 22 1.581 8.784 -5.813 1.00 42.42 O ATOM 300 CB ASN A 22 3.941 10.363 -7.357 1.00 33.32 C ATOM 301 CG ASN A 22 4.991 10.651 -6.300 1.00 72.42 C ATOM 302 OD1 ASN A 22 4.666 11.054 -5.188 1.00 41.10 O ATOM 303 ND2 ASN A 22 6.256 10.466 -6.640 1.00 14.32 N ATOM 0 H ASN A 22 1.502 8.989 -8.175 1.00 5.53 H new ATOM 0 HA ASN A 22 4.264 8.238 -7.487 1.00 74.14 H new ATOM 0 HB2 ASN A 22 4.360 10.576 -8.340 1.00 33.32 H new ATOM 0 HB3 ASN A 22 3.100 11.041 -7.215 1.00 33.32 H new ATOM 0 HD21 ASN A 22 6.998 10.660 -5.968 1.00 14.32 H new ATOM 0 HD22 ASN A 22 6.489 10.130 -7.574 1.00 14.32 H new ATOM 310 N ASP A 23 3.603 8.127 -5.042 1.00 70.14 N ATOM 311 CA ASP A 23 3.128 7.774 -3.697 1.00 12.10 C ATOM 312 C ASP A 23 2.368 8.931 -3.042 1.00 71.41 C ATOM 313 O ASP A 23 1.470 8.715 -2.223 1.00 71.12 O ATOM 314 CB ASP A 23 4.307 7.352 -2.802 1.00 34.54 C ATOM 315 CG ASP A 23 4.792 5.936 -3.087 1.00 42.35 C ATOM 316 OD1 ASP A 23 5.459 5.719 -4.121 1.00 24.14 O ATOM 317 OD2 ASP A 23 4.512 5.031 -2.269 1.00 1.54 O ATOM 0 H ASP A 23 4.602 7.977 -5.182 1.00 70.14 H new ATOM 0 HA ASP A 23 2.439 6.936 -3.806 1.00 12.10 H new ATOM 0 HB2 ASP A 23 5.133 8.049 -2.945 1.00 34.54 H new ATOM 0 HB3 ASP A 23 4.007 7.424 -1.757 1.00 34.54 H new ATOM 322 N GLU A 24 2.721 10.155 -3.423 1.00 62.34 N ATOM 323 CA GLU A 24 2.086 11.361 -2.883 1.00 11.53 C ATOM 324 C GLU A 24 0.795 11.702 -3.645 1.00 61.53 C ATOM 325 O GLU A 24 0.322 12.839 -3.599 1.00 72.22 O ATOM 326 CB GLU A 24 3.070 12.539 -2.948 1.00 73.32 C ATOM 327 CG GLU A 24 4.379 12.280 -2.207 1.00 13.22 C ATOM 328 CD GLU A 24 5.369 13.429 -2.335 1.00 2.14 C ATOM 329 OE1 GLU A 24 5.996 13.565 -3.407 1.00 51.24 O ATOM 330 OE2 GLU A 24 5.538 14.196 -1.364 1.00 11.22 O ATOM 0 H GLU A 24 3.451 10.342 -4.111 1.00 62.34 H new ATOM 0 HA GLU A 24 1.818 11.171 -1.844 1.00 11.53 H new ATOM 0 HB2 GLU A 24 3.290 12.761 -3.992 1.00 73.32 H new ATOM 0 HB3 GLU A 24 2.593 13.424 -2.528 1.00 73.32 H new ATOM 0 HG2 GLU A 24 4.165 12.107 -1.152 1.00 13.22 H new ATOM 0 HG3 GLU A 24 4.835 11.369 -2.594 1.00 13.22 H new ATOM 337 N GLU A 25 0.237 10.699 -4.335 1.00 62.13 N ATOM 338 CA GLU A 25 -1.023 10.831 -5.085 1.00 0.22 C ATOM 339 C GLU A 25 -0.861 11.688 -6.341 1.00 61.13 C ATOM 340 O GLU A 25 -1.847 12.050 -6.986 1.00 70.13 O ATOM 341 CB GLU A 25 -2.153 11.389 -4.202 1.00 4.34 C ATOM 342 CG GLU A 25 -2.659 10.407 -3.150 1.00 45.50 C ATOM 343 CD GLU A 25 -3.857 10.942 -2.381 1.00 73.30 C ATOM 344 OE1 GLU A 25 -4.850 11.348 -3.024 1.00 62.44 O ATOM 345 OE2 GLU A 25 -3.815 10.954 -1.132 1.00 32.12 O ATOM 0 H GLU A 25 0.648 9.767 -4.390 1.00 62.13 H new ATOM 0 HA GLU A 25 -1.298 9.825 -5.401 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -1.799 12.291 -3.702 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -2.986 11.685 -4.839 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -2.932 9.469 -3.634 1.00 45.50 H new ATOM 0 HG3 GLU A 25 -1.854 10.182 -2.451 1.00 45.50 H new ATOM 352 N GLN A 26 0.380 11.997 -6.695 1.00 10.22 N ATOM 353 CA GLN A 26 0.658 12.746 -7.917 1.00 54.01 C ATOM 354 C GLN A 26 0.476 11.834 -9.130 1.00 30.13 C ATOM 355 O GLN A 26 0.626 10.613 -9.020 1.00 21.03 O ATOM 356 CB GLN A 26 2.084 13.313 -7.896 1.00 31.13 C ATOM 357 CG GLN A 26 2.393 14.179 -6.682 1.00 12.34 C ATOM 358 CD GLN A 26 3.820 14.705 -6.697 1.00 24.51 C ATOM 359 OE1 GLN A 26 4.094 15.784 -7.227 1.00 3.34 O ATOM 360 NE2 GLN A 26 4.741 13.949 -6.115 1.00 4.44 N ATOM 0 H GLN A 26 1.208 11.742 -6.157 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.040 13.580 -7.981 1.00 54.01 H new ATOM 0 HB2 GLN A 26 2.793 12.485 -7.928 1.00 31.13 H new ATOM 0 HB3 GLN A 26 2.242 13.903 -8.799 1.00 31.13 H new ATOM 0 HG2 GLN A 26 1.699 15.019 -6.651 1.00 12.34 H new ATOM 0 HG3 GLN A 26 2.232 13.599 -5.774 1.00 12.34 H new ATOM 0 HE21 GLN A 26 4.476 13.062 -5.687 1.00 4.44 H new ATOM 0 HE22 GLN A 26 5.714 14.255 -6.096 1.00 4.44 H new ATOM 369 N HIS A 27 0.152 12.422 -10.277 1.00 62.23 N ATOM 370 CA HIS A 27 -0.071 11.655 -11.501 1.00 32.31 C ATOM 371 C HIS A 27 0.127 12.538 -12.732 1.00 32.43 C ATOM 372 O HIS A 27 -0.373 13.661 -12.791 1.00 70.43 O ATOM 373 CB HIS A 27 -1.479 11.027 -11.508 1.00 4.31 C ATOM 374 CG HIS A 27 -2.598 12.018 -11.373 1.00 71.13 C ATOM 375 ND1 HIS A 27 -3.426 12.376 -12.417 1.00 63.43 N ATOM 376 CD2 HIS A 27 -3.030 12.721 -10.300 1.00 74.11 C ATOM 377 CE1 HIS A 27 -4.313 13.254 -11.990 1.00 60.13 C ATOM 378 NE2 HIS A 27 -4.097 13.480 -10.710 1.00 72.25 N ATOM 0 H HIS A 27 0.037 13.430 -10.386 1.00 62.23 H new ATOM 0 HA HIS A 27 0.661 10.848 -11.533 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -1.612 10.471 -12.436 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -1.547 10.307 -10.693 1.00 4.31 H new ATOM 0 HD2 HIS A 27 -2.612 12.690 -9.305 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -5.087 13.711 -12.589 1.00 60.13 H new ATOM 0 HE2 HIS A 27 -4.635 14.115 -10.120 1.00 72.25 H new ATOM 387 N SER A 28 0.859 12.011 -13.703 1.00 43.31 N ATOM 388 CA SER A 28 1.178 12.718 -14.935 1.00 70.43 C ATOM 389 C SER A 28 1.850 11.736 -15.900 1.00 3.04 C ATOM 390 O SER A 28 1.760 10.523 -15.711 1.00 45.11 O ATOM 391 CB SER A 28 2.099 13.916 -14.636 1.00 24.32 C ATOM 392 OG SER A 28 2.317 14.711 -15.792 1.00 33.21 O ATOM 0 H SER A 28 1.252 11.071 -13.657 1.00 43.31 H new ATOM 0 HA SER A 28 0.268 13.106 -15.392 1.00 70.43 H new ATOM 0 HB2 SER A 28 1.656 14.529 -13.851 1.00 24.32 H new ATOM 0 HB3 SER A 28 3.055 13.555 -14.257 1.00 24.32 H new ATOM 0 HG SER A 28 2.904 15.463 -15.566 1.00 33.21 H new ATOM 398 N LEU A 29 2.503 12.253 -16.933 1.00 3.41 N ATOM 399 CA LEU A 29 3.253 11.421 -17.873 1.00 62.52 C ATOM 400 C LEU A 29 4.736 11.422 -17.496 1.00 23.32 C ATOM 401 O LEU A 29 5.178 12.244 -16.687 1.00 31.35 O ATOM 402 CB LEU A 29 3.066 11.915 -19.321 1.00 32.03 C ATOM 403 CG LEU A 29 1.681 11.650 -19.952 1.00 23.25 C ATOM 404 CD1 LEU A 29 0.571 12.387 -19.206 1.00 5.44 C ATOM 405 CD2 LEU A 29 1.687 12.036 -21.430 1.00 25.14 C ATOM 0 H LEU A 29 2.530 13.251 -17.144 1.00 3.41 H new ATOM 0 HA LEU A 29 2.870 10.402 -17.815 1.00 62.52 H new ATOM 0 HB2 LEU A 29 3.255 12.988 -19.345 1.00 32.03 H new ATOM 0 HB3 LEU A 29 3.824 11.443 -19.946 1.00 32.03 H new ATOM 0 HG LEU A 29 1.477 10.583 -19.869 1.00 23.25 H new ATOM 0 HD11 LEU A 29 -0.388 12.176 -19.679 1.00 5.44 H new ATOM 0 HD12 LEU A 29 0.545 12.052 -18.169 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.762 13.460 -19.236 1.00 5.44 H new ATOM 0 HD21 LEU A 29 0.704 11.843 -21.860 1.00 25.14 H new ATOM 0 HD22 LEU A 29 1.925 13.095 -21.528 1.00 25.14 H new ATOM 0 HD23 LEU A 29 2.436 11.445 -21.957 1.00 25.14 H new ATOM 417 N TRP A 30 5.496 10.500 -18.075 1.00 23.42 N ATOM 418 CA TRP A 30 6.920 10.376 -17.776 1.00 41.14 C ATOM 419 C TRP A 30 7.733 10.374 -19.067 1.00 34.24 C ATOM 420 O TRP A 30 7.274 9.854 -20.087 1.00 3.43 O ATOM 421 CB TRP A 30 7.191 9.098 -16.961 1.00 13.11 C ATOM 422 CG TRP A 30 6.841 7.819 -17.671 1.00 12.31 C ATOM 423 CD1 TRP A 30 5.591 7.299 -17.865 1.00 71.00 C ATOM 424 CD2 TRP A 30 7.757 6.889 -18.263 1.00 3.12 C ATOM 425 NE1 TRP A 30 5.676 6.108 -18.545 1.00 33.35 N ATOM 426 CE2 TRP A 30 6.996 5.836 -18.800 1.00 25.44 C ATOM 427 CE3 TRP A 30 9.148 6.849 -18.390 1.00 53.21 C ATOM 428 CZ2 TRP A 30 7.580 4.755 -19.454 1.00 51.20 C ATOM 429 CZ3 TRP A 30 9.727 5.777 -19.041 1.00 55.34 C ATOM 430 CH2 TRP A 30 8.943 4.742 -19.566 1.00 73.31 C ATOM 0 H TRP A 30 5.150 9.825 -18.757 1.00 23.42 H new ATOM 0 HA TRP A 30 7.226 11.234 -17.177 1.00 41.14 H new ATOM 0 HB2 TRP A 30 8.247 9.072 -16.691 1.00 13.11 H new ATOM 0 HB3 TRP A 30 6.625 9.149 -16.031 1.00 13.11 H new ATOM 0 HD1 TRP A 30 4.671 7.757 -17.532 1.00 71.00 H new ATOM 0 HE1 TRP A 30 4.886 5.522 -18.816 1.00 33.35 H new ATOM 0 HE3 TRP A 30 9.760 7.642 -17.986 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 6.978 3.955 -19.859 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 10.801 5.736 -19.147 1.00 55.34 H new ATOM 0 HH2 TRP A 30 9.425 3.917 -20.070 1.00 73.31 H new ATOM 441 N PRO A 31 8.941 10.972 -19.047 1.00 52.54 N ATOM 442 CA PRO A 31 9.830 10.996 -20.213 1.00 35.33 C ATOM 443 C PRO A 31 10.301 9.589 -20.592 1.00 43.41 C ATOM 444 O PRO A 31 11.157 9.009 -19.923 1.00 35.31 O ATOM 445 CB PRO A 31 11.011 11.869 -19.758 1.00 30.22 C ATOM 446 CG PRO A 31 10.984 11.806 -18.267 1.00 33.12 C ATOM 447 CD PRO A 31 9.532 11.675 -17.888 1.00 24.30 C ATOM 0 HA PRO A 31 9.335 11.384 -21.103 1.00 35.33 H new ATOM 0 HB2 PRO A 31 11.955 11.493 -20.152 1.00 30.22 H new ATOM 0 HB3 PRO A 31 10.904 12.894 -20.112 1.00 30.22 H new ATOM 0 HG2 PRO A 31 11.562 10.957 -17.901 1.00 33.12 H new ATOM 0 HG3 PRO A 31 11.423 12.703 -17.830 1.00 33.12 H new ATOM 0 HD2 PRO A 31 9.406 11.107 -16.966 1.00 24.30 H new ATOM 0 HD3 PRO A 31 9.068 12.648 -17.729 1.00 24.30 H new ATOM 455 N ALA A 32 9.730 9.048 -21.665 1.00 64.13 N ATOM 456 CA ALA A 32 10.027 7.681 -22.107 1.00 5.22 C ATOM 457 C ALA A 32 11.504 7.510 -22.466 1.00 54.03 C ATOM 458 O ALA A 32 12.019 6.390 -22.510 1.00 51.42 O ATOM 459 CB ALA A 32 9.141 7.317 -23.293 1.00 31.45 C ATOM 0 H ALA A 32 9.053 9.537 -22.251 1.00 64.13 H new ATOM 0 HA ALA A 32 9.815 7.004 -21.279 1.00 5.22 H new ATOM 0 HB1 ALA A 32 9.366 6.301 -23.617 1.00 31.45 H new ATOM 0 HB2 ALA A 32 8.094 7.380 -22.998 1.00 31.45 H new ATOM 0 HB3 ALA A 32 9.329 8.009 -24.114 1.00 31.45 H new ATOM 465 N PHE A 33 12.181 8.628 -22.704 1.00 65.24 N ATOM 466 CA PHE A 33 13.587 8.620 -23.102 1.00 41.30 C ATOM 467 C PHE A 33 14.501 8.728 -21.878 1.00 64.43 C ATOM 468 O PHE A 33 15.711 8.930 -22.009 1.00 54.03 O ATOM 469 CB PHE A 33 13.864 9.779 -24.073 1.00 70.23 C ATOM 470 CG PHE A 33 12.875 9.858 -25.210 1.00 14.54 C ATOM 471 CD1 PHE A 33 12.990 9.019 -26.309 1.00 34.35 C ATOM 472 CD2 PHE A 33 11.821 10.761 -25.170 1.00 21.21 C ATOM 473 CE1 PHE A 33 12.078 9.082 -27.344 1.00 3.51 C ATOM 474 CE2 PHE A 33 10.905 10.826 -26.203 1.00 25.54 C ATOM 475 CZ PHE A 33 11.034 9.985 -27.291 1.00 72.43 C ATOM 0 H PHE A 33 11.775 9.561 -22.628 1.00 65.24 H new ATOM 0 HA PHE A 33 13.798 7.675 -23.603 1.00 41.30 H new ATOM 0 HB2 PHE A 33 13.847 10.718 -23.520 1.00 70.23 H new ATOM 0 HB3 PHE A 33 14.868 9.668 -24.482 1.00 70.23 H new ATOM 0 HD1 PHE A 33 13.802 8.309 -26.356 1.00 34.35 H new ATOM 0 HD2 PHE A 33 11.716 11.421 -24.321 1.00 21.21 H new ATOM 0 HE1 PHE A 33 12.181 8.425 -28.195 1.00 3.51 H new ATOM 0 HE2 PHE A 33 10.090 11.533 -26.159 1.00 25.54 H new ATOM 0 HZ PHE A 33 10.319 10.033 -28.099 1.00 72.43 H new ATOM 485 N ALA A 34 13.923 8.589 -20.687 1.00 11.31 N ATOM 486 CA ALA A 34 14.679 8.694 -19.442 1.00 4.15 C ATOM 487 C ALA A 34 14.216 7.643 -18.438 1.00 15.35 C ATOM 488 O ALA A 34 13.319 6.844 -18.727 1.00 1.33 O ATOM 489 CB ALA A 34 14.533 10.096 -18.858 1.00 42.14 C ATOM 0 H ALA A 34 12.929 8.402 -20.558 1.00 11.31 H new ATOM 0 HA ALA A 34 15.732 8.513 -19.658 1.00 4.15 H new ATOM 0 HB1 ALA A 34 15.100 10.164 -17.930 1.00 42.14 H new ATOM 0 HB2 ALA A 34 14.913 10.828 -19.570 1.00 42.14 H new ATOM 0 HB3 ALA A 34 13.481 10.298 -18.656 1.00 42.14 H new ATOM 495 N ASP A 35 14.848 7.637 -17.269 1.00 65.10 N ATOM 496 CA ASP A 35 14.481 6.729 -16.182 1.00 21.44 C ATOM 497 C ASP A 35 13.531 7.433 -15.216 1.00 35.34 C ATOM 498 O ASP A 35 13.689 8.625 -14.938 1.00 10.32 O ATOM 499 CB ASP A 35 15.732 6.239 -15.432 1.00 10.33 C ATOM 500 CG ASP A 35 16.495 7.366 -14.745 1.00 71.31 C ATOM 501 OD1 ASP A 35 17.304 8.038 -15.421 1.00 74.13 O ATOM 502 OD2 ASP A 35 16.294 7.585 -13.531 1.00 62.15 O ATOM 0 H ASP A 35 15.626 8.258 -17.046 1.00 65.10 H new ATOM 0 HA ASP A 35 13.979 5.862 -16.611 1.00 21.44 H new ATOM 0 HB2 ASP A 35 15.436 5.501 -14.686 1.00 10.33 H new ATOM 0 HB3 ASP A 35 16.395 5.734 -16.134 1.00 10.33 H new ATOM 507 N VAL A 36 12.525 6.708 -14.737 1.00 51.02 N ATOM 508 CA VAL A 36 11.578 7.255 -13.773 1.00 14.20 C ATOM 509 C VAL A 36 12.265 7.495 -12.428 1.00 74.22 C ATOM 510 O VAL A 36 12.854 6.573 -11.857 1.00 4.35 O ATOM 511 CB VAL A 36 10.364 6.314 -13.564 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.421 6.878 -12.500 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.624 6.080 -14.883 1.00 3.12 C ATOM 0 H VAL A 36 12.345 5.739 -15.001 1.00 51.02 H new ATOM 0 HA VAL A 36 11.216 8.200 -14.177 1.00 14.20 H new ATOM 0 HB VAL A 36 10.735 5.351 -13.212 1.00 52.15 H new ATOM 0 HG11 VAL A 36 8.576 6.203 -12.368 1.00 54.14 H new ATOM 0 HG12 VAL A 36 9.956 6.978 -11.556 1.00 54.14 H new ATOM 0 HG13 VAL A 36 9.058 7.856 -12.817 1.00 54.14 H new ATOM 0 HG21 VAL A 36 8.776 5.417 -14.712 1.00 3.12 H new ATOM 0 HG22 VAL A 36 9.266 7.033 -15.274 1.00 3.12 H new ATOM 0 HG23 VAL A 36 10.302 5.624 -15.604 1.00 3.12 H new ATOM 523 N PRO A 37 12.211 8.738 -11.909 1.00 42.20 N ATOM 524 CA PRO A 37 12.799 9.072 -10.607 1.00 21.34 C ATOM 525 C PRO A 37 12.115 8.317 -9.464 1.00 1.14 C ATOM 526 O PRO A 37 10.910 8.049 -9.517 1.00 71.23 O ATOM 527 CB PRO A 37 12.574 10.589 -10.479 1.00 33.33 C ATOM 528 CG PRO A 37 11.458 10.898 -11.421 1.00 74.14 C ATOM 529 CD PRO A 37 11.583 9.911 -12.549 1.00 3.15 C ATOM 0 HA PRO A 37 13.851 8.792 -10.546 1.00 21.34 H new ATOM 0 HB2 PRO A 37 12.314 10.864 -9.457 1.00 33.33 H new ATOM 0 HB3 PRO A 37 13.475 11.144 -10.740 1.00 33.33 H new ATOM 0 HG2 PRO A 37 10.492 10.804 -10.925 1.00 74.14 H new ATOM 0 HG3 PRO A 37 11.530 11.922 -11.788 1.00 74.14 H new ATOM 0 HD2 PRO A 37 10.611 9.664 -12.976 1.00 3.15 H new ATOM 0 HD3 PRO A 37 12.197 10.303 -13.360 1.00 3.15 H new ATOM 537 N ALA A 38 12.893 7.977 -8.437 1.00 5.25 N ATOM 538 CA ALA A 38 12.382 7.242 -7.282 1.00 34.34 C ATOM 539 C ALA A 38 11.218 7.989 -6.625 1.00 32.33 C ATOM 540 O ALA A 38 11.192 9.224 -6.605 1.00 13.31 O ATOM 541 CB ALA A 38 13.502 6.998 -6.274 1.00 11.05 C ATOM 0 H ALA A 38 13.887 8.201 -8.382 1.00 5.25 H new ATOM 0 HA ALA A 38 12.007 6.279 -7.629 1.00 34.34 H new ATOM 0 HB1 ALA A 38 13.108 6.450 -5.418 1.00 11.05 H new ATOM 0 HB2 ALA A 38 14.295 6.416 -6.744 1.00 11.05 H new ATOM 0 HB3 ALA A 38 13.904 7.954 -5.938 1.00 11.05 H new ATOM 547 N GLY A 39 10.261 7.233 -6.095 1.00 34.21 N ATOM 548 CA GLY A 39 9.085 7.823 -5.476 1.00 13.01 C ATOM 549 C GLY A 39 7.875 7.763 -6.387 1.00 60.32 C ATOM 550 O GLY A 39 6.732 7.815 -5.924 1.00 53.32 O ATOM 0 H GLY A 39 10.279 6.213 -6.083 1.00 34.21 H new ATOM 0 HA2 GLY A 39 8.864 7.301 -4.545 1.00 13.01 H new ATOM 0 HA3 GLY A 39 9.293 8.861 -5.217 1.00 13.01 H new ATOM 554 N TRP A 40 8.125 7.665 -7.690 1.00 51.51 N ATOM 555 CA TRP A 40 7.057 7.554 -8.679 1.00 73.43 C ATOM 556 C TRP A 40 6.832 6.092 -9.050 1.00 13.52 C ATOM 557 O TRP A 40 7.697 5.244 -8.821 1.00 74.51 O ATOM 558 CB TRP A 40 7.406 8.354 -9.939 1.00 45.14 C ATOM 559 CG TRP A 40 7.634 9.817 -9.692 1.00 44.13 C ATOM 560 CD1 TRP A 40 8.765 10.393 -9.192 1.00 34.43 C ATOM 561 CD2 TRP A 40 6.716 10.891 -9.944 1.00 12.14 C ATOM 562 NE1 TRP A 40 8.608 11.753 -9.116 1.00 74.20 N ATOM 563 CE2 TRP A 40 7.360 12.084 -9.569 1.00 71.13 C ATOM 564 CE3 TRP A 40 5.413 10.962 -10.449 1.00 32.41 C ATOM 565 CZ2 TRP A 40 6.748 13.328 -9.681 1.00 14.53 C ATOM 566 CZ3 TRP A 40 4.806 12.198 -10.559 1.00 71.15 C ATOM 567 CH2 TRP A 40 5.475 13.368 -10.177 1.00 62.31 C ATOM 0 H TRP A 40 9.064 7.660 -8.087 1.00 51.51 H new ATOM 0 HA TRP A 40 6.144 7.960 -8.243 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.303 7.929 -10.390 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.600 8.240 -10.664 1.00 45.14 H new ATOM 0 HD1 TRP A 40 9.655 9.856 -8.899 1.00 34.43 H new ATOM 0 HE1 TRP A 40 9.309 12.412 -8.776 1.00 74.20 H new ATOM 0 HE3 TRP A 40 4.890 10.065 -10.748 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 7.261 14.231 -9.386 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 3.800 12.263 -10.946 1.00 71.15 H new ATOM 0 HH2 TRP A 40 4.975 14.320 -10.276 1.00 62.31 H new ATOM 578 N ARG A 41 5.667 5.802 -9.611 1.00 24.31 N ATOM 579 CA ARG A 41 5.353 4.471 -10.100 1.00 20.05 C ATOM 580 C ARG A 41 4.759 4.586 -11.497 1.00 55.23 C ATOM 581 O ARG A 41 3.783 5.304 -11.698 1.00 13.03 O ATOM 582 CB ARG A 41 4.337 3.819 -9.153 1.00 53.34 C ATOM 583 CG ARG A 41 4.099 2.335 -9.394 1.00 52.42 C ATOM 584 CD ARG A 41 5.359 1.515 -9.147 1.00 12.34 C ATOM 585 NE ARG A 41 5.968 1.817 -7.846 1.00 63.22 N ATOM 586 CZ ARG A 41 7.002 1.152 -7.331 1.00 44.45 C ATOM 587 NH1 ARG A 41 7.521 0.119 -7.985 1.00 42.12 N ATOM 588 NH2 ARG A 41 7.512 1.515 -6.160 1.00 31.14 N ATOM 0 H ARG A 41 4.917 6.481 -9.739 1.00 24.31 H new ATOM 0 HA ARG A 41 6.255 3.860 -10.139 1.00 20.05 H new ATOM 0 HB2 ARG A 41 4.678 3.956 -8.127 1.00 53.34 H new ATOM 0 HB3 ARG A 41 3.387 4.345 -9.245 1.00 53.34 H new ATOM 0 HG2 ARG A 41 3.302 1.983 -8.739 1.00 52.42 H new ATOM 0 HG3 ARG A 41 3.761 2.182 -10.419 1.00 52.42 H new ATOM 0 HD2 ARG A 41 5.116 0.454 -9.195 1.00 12.34 H new ATOM 0 HD3 ARG A 41 6.081 1.713 -9.939 1.00 12.34 H new ATOM 0 HE ARG A 41 5.575 2.585 -7.301 1.00 63.22 H new ATOM 0 HH11 ARG A 41 7.128 -0.166 -8.882 1.00 42.12 H new ATOM 0 HH12 ARG A 41 8.312 -0.389 -7.590 1.00 42.12 H new ATOM 0 HH21 ARG A 41 7.112 2.304 -5.652 1.00 31.14 H new ATOM 0 HH22 ARG A 41 8.303 1.004 -5.768 1.00 31.14 H new ATOM 602 N VAL A 42 5.334 3.883 -12.460 1.00 41.41 N ATOM 603 CA VAL A 42 4.792 3.877 -13.812 1.00 54.33 C ATOM 604 C VAL A 42 3.801 2.729 -13.957 1.00 41.04 C ATOM 605 O VAL A 42 4.172 1.559 -13.871 1.00 60.22 O ATOM 606 CB VAL A 42 5.907 3.800 -14.895 1.00 3.04 C ATOM 607 CG1 VAL A 42 6.852 2.626 -14.658 1.00 41.04 C ATOM 608 CG2 VAL A 42 5.296 3.733 -16.293 1.00 13.44 C ATOM 0 H VAL A 42 6.170 3.313 -12.334 1.00 41.41 H new ATOM 0 HA VAL A 42 4.274 4.822 -13.974 1.00 54.33 H new ATOM 0 HB VAL A 42 6.500 4.711 -14.818 1.00 3.04 H new ATOM 0 HG11 VAL A 42 7.615 2.610 -15.437 1.00 41.04 H new ATOM 0 HG12 VAL A 42 7.330 2.734 -13.684 1.00 41.04 H new ATOM 0 HG13 VAL A 42 6.288 1.694 -14.683 1.00 41.04 H new ATOM 0 HG21 VAL A 42 6.092 3.680 -17.036 1.00 13.44 H new ATOM 0 HG22 VAL A 42 4.666 2.847 -16.372 1.00 13.44 H new ATOM 0 HG23 VAL A 42 4.694 4.624 -16.470 1.00 13.44 H new ATOM 618 N VAL A 43 2.532 3.071 -14.155 1.00 12.04 N ATOM 619 CA VAL A 43 1.467 2.071 -14.183 1.00 4.12 C ATOM 620 C VAL A 43 1.310 1.501 -15.587 1.00 0.32 C ATOM 621 O VAL A 43 0.768 0.411 -15.780 1.00 14.03 O ATOM 622 CB VAL A 43 0.122 2.670 -13.704 1.00 51.33 C ATOM 623 CG1 VAL A 43 0.232 3.155 -12.256 1.00 51.05 C ATOM 624 CG2 VAL A 43 -0.325 3.803 -14.623 1.00 73.33 C ATOM 0 H VAL A 43 2.215 4.030 -14.298 1.00 12.04 H new ATOM 0 HA VAL A 43 1.747 1.269 -13.500 1.00 4.12 H new ATOM 0 HB VAL A 43 -0.634 1.885 -13.744 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -0.724 3.572 -11.939 1.00 51.05 H new ATOM 0 HG12 VAL A 43 0.494 2.317 -11.610 1.00 51.05 H new ATOM 0 HG13 VAL A 43 1.004 3.922 -12.187 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.272 4.208 -14.267 1.00 73.33 H new ATOM 0 HG22 VAL A 43 0.429 4.590 -14.624 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.452 3.421 -15.636 1.00 73.33 H new ATOM 634 N HIS A 44 1.786 2.260 -16.564 1.00 64.55 N ATOM 635 CA HIS A 44 1.744 1.862 -17.965 1.00 44.42 C ATOM 636 C HIS A 44 2.871 2.552 -18.719 1.00 73.35 C ATOM 637 O HIS A 44 3.043 3.773 -18.595 1.00 2.12 O ATOM 638 CB HIS A 44 0.384 2.210 -18.597 1.00 33.41 C ATOM 639 CG HIS A 44 -0.725 1.274 -18.213 1.00 64.22 C ATOM 640 ND1 HIS A 44 -1.643 1.553 -17.222 1.00 63.31 N ATOM 641 CD2 HIS A 44 -1.055 0.052 -18.693 1.00 24.33 C ATOM 642 CE1 HIS A 44 -2.486 0.543 -17.108 1.00 61.35 C ATOM 643 NE2 HIS A 44 -2.153 -0.383 -17.990 1.00 12.24 N ATOM 0 H HIS A 44 2.214 3.173 -16.407 1.00 64.55 H new ATOM 0 HA HIS A 44 1.873 0.781 -18.028 1.00 44.42 H new ATOM 0 HB2 HIS A 44 0.108 3.223 -18.305 1.00 33.41 H new ATOM 0 HB3 HIS A 44 0.488 2.208 -19.682 1.00 33.41 H new ATOM 0 HD2 HIS A 44 -0.549 -0.483 -19.483 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -3.309 0.484 -16.411 1.00 61.35 H new ATOM 0 HE2 HIS A 44 -2.632 -1.273 -18.126 1.00 12.24 H new ATOM 652 N GLY A 45 3.643 1.758 -19.466 1.00 42.11 N ATOM 653 CA GLY A 45 4.758 2.275 -20.241 1.00 12.53 C ATOM 654 C GLY A 45 4.337 2.699 -21.634 1.00 61.03 C ATOM 655 O GLY A 45 3.157 2.601 -21.980 1.00 13.13 O ATOM 0 H GLY A 45 3.509 0.750 -19.546 1.00 42.11 H new ATOM 0 HA2 GLY A 45 5.197 3.126 -19.721 1.00 12.53 H new ATOM 0 HA3 GLY A 45 5.533 1.512 -20.314 1.00 12.53 H new ATOM 659 N GLU A 46 5.298 3.166 -22.431 1.00 70.20 N ATOM 660 CA GLU A 46 5.008 3.726 -23.753 1.00 12.32 C ATOM 661 C GLU A 46 4.345 2.694 -24.670 1.00 41.42 C ATOM 662 O GLU A 46 4.654 1.502 -24.608 1.00 12.04 O ATOM 663 CB GLU A 46 6.291 4.271 -24.406 1.00 10.22 C ATOM 664 CG GLU A 46 7.387 3.226 -24.603 1.00 43.31 C ATOM 665 CD GLU A 46 8.570 3.762 -25.395 1.00 74.34 C ATOM 666 OE1 GLU A 46 8.502 3.767 -26.644 1.00 62.12 O ATOM 667 OE2 GLU A 46 9.571 4.181 -24.777 1.00 5.12 O ATOM 0 H GLU A 46 6.288 3.168 -22.184 1.00 70.20 H new ATOM 0 HA GLU A 46 4.307 4.549 -23.612 1.00 12.32 H new ATOM 0 HB2 GLU A 46 6.037 4.702 -25.375 1.00 10.22 H new ATOM 0 HB3 GLU A 46 6.683 5.080 -23.790 1.00 10.22 H new ATOM 0 HG2 GLU A 46 7.733 2.880 -23.629 1.00 43.31 H new ATOM 0 HG3 GLU A 46 6.971 2.361 -25.119 1.00 43.31 H new ATOM 674 N ALA A 47 3.435 3.172 -25.518 1.00 23.10 N ATOM 675 CA ALA A 47 2.712 2.316 -26.454 1.00 63.51 C ATOM 676 C ALA A 47 2.275 3.113 -27.681 1.00 73.41 C ATOM 677 O ALA A 47 2.565 4.307 -27.791 1.00 62.32 O ATOM 678 CB ALA A 47 1.508 1.676 -25.774 1.00 61.02 C ATOM 0 H ALA A 47 3.180 4.158 -25.575 1.00 23.10 H new ATOM 0 HA ALA A 47 3.383 1.522 -26.782 1.00 63.51 H new ATOM 0 HB1 ALA A 47 0.982 1.042 -26.487 1.00 61.02 H new ATOM 0 HB2 ALA A 47 1.844 1.072 -24.931 1.00 61.02 H new ATOM 0 HB3 ALA A 47 0.835 2.455 -25.416 1.00 61.02 H new ATOM 684 N ASP A 48 1.574 2.447 -28.595 1.00 43.44 N ATOM 685 CA ASP A 48 1.159 3.054 -29.861 1.00 51.31 C ATOM 686 C ASP A 48 -0.076 3.948 -29.677 1.00 41.22 C ATOM 687 O ASP A 48 -0.737 3.918 -28.627 1.00 41.42 O ATOM 688 CB ASP A 48 0.871 1.952 -30.898 1.00 34.15 C ATOM 689 CG ASP A 48 0.507 2.513 -32.265 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.419 2.938 -33.002 1.00 44.10 O ATOM 691 OD2 ASP A 48 -0.695 2.557 -32.597 1.00 61.52 O ATOM 0 H ASP A 48 1.278 1.477 -28.482 1.00 43.44 H new ATOM 0 HA ASP A 48 1.973 3.684 -30.219 1.00 51.31 H new ATOM 0 HB2 ASP A 48 1.748 1.311 -30.994 1.00 34.15 H new ATOM 0 HB3 ASP A 48 0.056 1.324 -30.538 1.00 34.15 H new ATOM 696 N ARG A 49 -0.385 4.740 -30.709 1.00 53.53 N ATOM 697 CA ARG A 49 -1.537 5.636 -30.688 1.00 35.31 C ATOM 698 C ARG A 49 -2.823 4.865 -30.397 1.00 63.41 C ATOM 699 O ARG A 49 -3.727 5.385 -29.747 1.00 64.05 O ATOM 700 CB ARG A 49 -1.663 6.388 -32.018 1.00 64.50 C ATOM 701 CG ARG A 49 -2.824 7.382 -32.049 1.00 25.32 C ATOM 702 CD ARG A 49 -2.942 8.080 -33.398 1.00 61.13 C ATOM 703 NE ARG A 49 -1.745 8.857 -33.722 1.00 44.12 N ATOM 704 CZ ARG A 49 -1.317 9.088 -34.960 1.00 64.24 C ATOM 705 NH1 ARG A 49 -1.939 8.537 -35.996 1.00 24.55 N ATOM 706 NH2 ARG A 49 -0.247 9.844 -35.155 1.00 74.33 N ATOM 0 H ARG A 49 0.154 4.776 -31.574 1.00 53.53 H new ATOM 0 HA ARG A 49 -1.381 6.361 -29.890 1.00 35.31 H new ATOM 0 HB2 ARG A 49 -0.733 6.922 -32.214 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -1.792 5.666 -32.824 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -3.755 6.859 -31.829 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -2.684 8.127 -31.266 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -3.113 7.337 -34.177 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -3.810 8.739 -33.390 1.00 61.13 H new ATOM 0 HE ARG A 49 -1.205 9.246 -32.949 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -2.748 7.934 -35.844 1.00 24.55 H new ATOM 0 HH12 ARG A 49 -1.608 8.716 -36.944 1.00 24.55 H new ATOM 0 HH21 ARG A 49 0.245 10.246 -34.357 1.00 74.33 H new ATOM 0 HH22 ARG A 49 0.085 10.024 -36.103 1.00 74.33 H new ATOM 720 N ALA A 50 -2.898 3.626 -30.873 1.00 72.03 N ATOM 721 CA ALA A 50 -4.039 2.762 -30.577 1.00 51.03 C ATOM 722 C ALA A 50 -4.213 2.628 -29.065 1.00 12.03 C ATOM 723 O ALA A 50 -5.306 2.816 -28.531 1.00 12.24 O ATOM 724 CB ALA A 50 -3.850 1.391 -31.221 1.00 12.12 C ATOM 0 H ALA A 50 -2.185 3.197 -31.464 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.940 3.212 -30.993 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -4.708 0.760 -30.991 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -3.763 1.505 -32.301 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -2.944 0.928 -30.831 1.00 12.12 H new ATOM 730 N ALA A 51 -3.103 2.343 -28.391 1.00 52.32 N ATOM 731 CA ALA A 51 -3.065 2.202 -26.937 1.00 4.44 C ATOM 732 C ALA A 51 -3.373 3.537 -26.243 1.00 42.22 C ATOM 733 O ALA A 51 -3.925 3.589 -25.112 1.00 11.11 O ATOM 734 CB ALA A 51 -1.700 1.675 -26.535 1.00 13.05 C ATOM 0 H ALA A 51 -2.198 2.202 -28.840 1.00 52.32 H new ATOM 0 HA ALA A 51 -3.833 1.496 -26.620 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -1.657 1.565 -25.451 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -1.531 0.706 -27.005 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -0.930 2.375 -26.859 1.00 13.05 H new ATOM 740 N CYS A 52 -2.986 4.617 -26.919 1.00 32.44 N ATOM 741 CA CYS A 52 -3.323 5.964 -26.482 1.00 51.42 C ATOM 742 C CYS A 52 -4.838 6.139 -26.482 1.00 23.32 C ATOM 743 O CYS A 52 -5.425 6.564 -25.484 1.00 3.22 O ATOM 744 CB CYS A 52 -2.669 7.003 -27.400 1.00 61.32 C ATOM 745 SG CYS A 52 -0.907 6.721 -27.700 1.00 33.32 S ATOM 0 H CYS A 52 -2.435 4.581 -27.777 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.946 6.113 -25.470 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -3.193 7.008 -28.356 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -2.798 7.992 -26.961 1.00 61.32 H new ATOM 0 HG CYS A 52 -0.211 7.288 -26.760 1.00 33.32 H new ATOM 751 N LEU A 53 -5.460 5.775 -27.603 1.00 43.35 N ATOM 752 CA LEU A 53 -6.905 5.878 -27.761 1.00 74.32 C ATOM 753 C LEU A 53 -7.617 5.040 -26.707 1.00 2.01 C ATOM 754 O LEU A 53 -8.613 5.473 -26.128 1.00 41.12 O ATOM 755 CB LEU A 53 -7.321 5.433 -29.169 1.00 44.01 C ATOM 756 CG LEU A 53 -6.756 6.279 -30.323 1.00 62.22 C ATOM 757 CD1 LEU A 53 -7.211 5.727 -31.672 1.00 70.12 C ATOM 758 CD2 LEU A 53 -7.168 7.742 -30.173 1.00 15.11 C ATOM 0 H LEU A 53 -4.977 5.403 -28.421 1.00 43.35 H new ATOM 0 HA LEU A 53 -7.194 6.920 -27.627 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -7.008 4.399 -29.312 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -8.409 5.448 -29.229 1.00 44.01 H new ATOM 0 HG LEU A 53 -5.668 6.225 -30.282 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -6.800 6.341 -32.474 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -6.859 4.701 -31.783 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -8.300 5.744 -31.724 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -6.758 8.322 -31.000 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -8.255 7.817 -30.182 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -6.785 8.133 -29.230 1.00 15.11 H new ATOM 770 N GLU A 54 -7.086 3.848 -26.446 1.00 54.41 N ATOM 771 CA GLU A 54 -7.648 2.971 -25.426 1.00 14.33 C ATOM 772 C GLU A 54 -7.647 3.671 -24.067 1.00 52.22 C ATOM 773 O GLU A 54 -8.685 3.760 -23.413 1.00 22.30 O ATOM 774 CB GLU A 54 -6.863 1.651 -25.342 1.00 0.25 C ATOM 775 CG GLU A 54 -6.860 0.839 -26.634 1.00 41.53 C ATOM 776 CD GLU A 54 -8.251 0.407 -27.074 1.00 73.12 C ATOM 777 OE1 GLU A 54 -8.733 -0.643 -26.604 1.00 55.44 O ATOM 778 OE2 GLU A 54 -8.863 1.103 -27.914 1.00 65.32 O ATOM 0 H GLU A 54 -6.270 3.469 -26.926 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.676 2.740 -25.706 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -5.833 1.872 -25.063 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -7.286 1.041 -24.544 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -6.403 1.431 -27.427 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -6.238 -0.046 -26.498 1.00 41.53 H new ATOM 785 N TYR A 55 -6.482 4.185 -23.652 1.00 63.34 N ATOM 786 CA TYR A 55 -6.379 4.884 -22.364 1.00 53.30 C ATOM 787 C TYR A 55 -7.372 6.052 -22.268 1.00 12.43 C ATOM 788 O TYR A 55 -8.175 6.106 -21.333 1.00 25.40 O ATOM 789 CB TYR A 55 -4.942 5.380 -22.119 1.00 54.33 C ATOM 790 CG TYR A 55 -4.819 6.413 -21.009 1.00 33.53 C ATOM 791 CD1 TYR A 55 -5.163 6.108 -19.694 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.360 7.698 -21.281 1.00 54.33 C ATOM 793 CE1 TYR A 55 -5.055 7.054 -18.690 1.00 5.14 C ATOM 794 CE2 TYR A 55 -4.249 8.645 -20.283 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.597 8.320 -18.991 1.00 71.24 C ATOM 796 OH TYR A 55 -4.484 9.265 -17.996 1.00 1.32 O ATOM 0 H TYR A 55 -5.610 4.132 -24.179 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.636 4.164 -21.587 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -4.311 4.525 -21.876 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.555 5.809 -23.043 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -5.520 5.117 -19.454 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.085 7.959 -22.292 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -5.328 6.803 -17.676 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -3.891 9.637 -20.515 1.00 14.43 H new ATOM 0 HH TYR A 55 -4.146 10.102 -18.377 1.00 1.32 H new ATOM 806 N ILE A 56 -7.326 6.979 -23.228 1.00 72.14 N ATOM 807 CA ILE A 56 -8.177 8.174 -23.169 1.00 54.34 C ATOM 808 C ILE A 56 -9.662 7.808 -23.199 1.00 35.30 C ATOM 809 O ILE A 56 -10.458 8.357 -22.435 1.00 14.25 O ATOM 810 CB ILE A 56 -7.867 9.190 -24.306 1.00 50.34 C ATOM 811 CG1 ILE A 56 -8.883 10.348 -24.289 1.00 13.53 C ATOM 812 CG2 ILE A 56 -7.868 8.507 -25.668 1.00 54.41 C ATOM 813 CD1 ILE A 56 -8.586 11.450 -25.288 1.00 32.34 C ATOM 0 H ILE A 56 -6.718 6.929 -24.046 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.946 8.655 -22.219 1.00 54.34 H new ATOM 0 HB ILE A 56 -6.871 9.595 -24.130 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -9.877 9.948 -24.491 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -8.910 10.778 -23.288 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -7.649 9.241 -26.443 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.109 7.725 -25.683 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -8.847 8.066 -25.853 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -9.348 12.226 -25.211 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -7.607 11.880 -25.075 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -8.589 11.037 -26.297 1.00 32.34 H new ATOM 825 N GLU A 57 -10.026 6.866 -24.060 1.00 31.32 N ATOM 826 CA GLU A 57 -11.418 6.450 -24.200 1.00 13.01 C ATOM 827 C GLU A 57 -11.908 5.809 -22.903 1.00 51.21 C ATOM 828 O GLU A 57 -13.009 6.095 -22.423 1.00 71.31 O ATOM 829 CB GLU A 57 -11.552 5.471 -25.370 1.00 52.35 C ATOM 830 CG GLU A 57 -12.992 5.144 -25.745 1.00 14.33 C ATOM 831 CD GLU A 57 -13.084 4.272 -26.985 1.00 72.01 C ATOM 832 OE1 GLU A 57 -13.069 3.031 -26.854 1.00 53.13 O ATOM 833 OE2 GLU A 57 -13.173 4.825 -28.100 1.00 43.21 O ATOM 0 H GLU A 57 -9.376 6.374 -24.673 1.00 31.32 H new ATOM 0 HA GLU A 57 -12.035 7.325 -24.405 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -11.047 5.890 -26.240 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -11.035 4.546 -25.117 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -13.475 4.636 -24.910 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.540 6.071 -25.915 1.00 14.33 H new ATOM 840 N GLU A 58 -11.069 4.953 -22.329 1.00 12.22 N ATOM 841 CA GLU A 58 -11.363 4.320 -21.048 1.00 60.15 C ATOM 842 C GLU A 58 -11.236 5.323 -19.904 1.00 33.10 C ATOM 843 O GLU A 58 -11.695 5.062 -18.791 1.00 31.32 O ATOM 844 CB GLU A 58 -10.433 3.119 -20.821 1.00 74.11 C ATOM 845 CG GLU A 58 -10.724 1.942 -21.749 1.00 63.14 C ATOM 846 CD GLU A 58 -12.174 1.479 -21.681 1.00 0.13 C ATOM 847 OE1 GLU A 58 -12.550 0.821 -20.689 1.00 52.44 O ATOM 848 OE2 GLU A 58 -12.954 1.781 -22.615 1.00 74.42 O ATOM 0 H GLU A 58 -10.174 4.680 -22.734 1.00 12.22 H new ATOM 0 HA GLU A 58 -12.393 3.963 -21.070 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -9.400 3.437 -20.963 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -10.525 2.788 -19.787 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -10.486 2.226 -22.774 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -10.069 1.110 -21.489 1.00 63.14 H new ATOM 855 N HIS A 59 -10.607 6.468 -20.200 1.00 11.51 N ATOM 856 CA HIS A 59 -10.399 7.559 -19.236 1.00 45.14 C ATOM 857 C HIS A 59 -9.914 7.023 -17.890 1.00 52.43 C ATOM 858 O HIS A 59 -10.269 7.549 -16.831 1.00 13.30 O ATOM 859 CB HIS A 59 -11.668 8.432 -19.077 1.00 40.10 C ATOM 860 CG HIS A 59 -12.898 7.701 -18.616 1.00 63.15 C ATOM 861 ND1 HIS A 59 -13.804 7.135 -19.486 1.00 32.20 N ATOM 862 CD2 HIS A 59 -13.373 7.448 -17.370 1.00 71.52 C ATOM 863 CE1 HIS A 59 -14.777 6.569 -18.802 1.00 40.20 C ATOM 864 NE2 HIS A 59 -14.542 6.742 -17.515 1.00 25.42 N ATOM 0 H HIS A 59 -10.224 6.666 -21.124 1.00 11.51 H new ATOM 0 HA HIS A 59 -9.616 8.203 -19.636 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -11.453 9.231 -18.367 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -11.885 8.906 -20.034 1.00 40.10 H new ATOM 0 HD1 HIS A 59 -13.732 7.152 -20.503 1.00 32.20 H new ATOM 0 HD2 HIS A 59 -12.917 7.746 -16.438 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -15.625 6.050 -19.224 1.00 40.20 H new ATOM 873 N TRP A 60 -9.061 5.999 -17.963 1.00 72.13 N ATOM 874 CA TRP A 60 -8.504 5.333 -16.787 1.00 71.34 C ATOM 875 C TRP A 60 -9.583 4.524 -16.062 1.00 40.15 C ATOM 876 O TRP A 60 -10.425 5.091 -15.363 1.00 70.12 O ATOM 877 CB TRP A 60 -7.849 6.346 -15.833 1.00 31.04 C ATOM 878 CG TRP A 60 -7.185 5.708 -14.649 1.00 11.01 C ATOM 879 CD1 TRP A 60 -7.643 5.674 -13.361 1.00 44.10 C ATOM 880 CD2 TRP A 60 -5.943 5.001 -14.652 1.00 62.15 C ATOM 881 NE1 TRP A 60 -6.755 4.995 -12.565 1.00 64.53 N ATOM 882 CE2 TRP A 60 -5.702 4.574 -13.334 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.009 4.692 -15.644 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -4.565 3.853 -12.985 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -3.883 3.975 -15.295 1.00 24.12 C ATOM 886 CH2 TRP A 60 -3.669 3.563 -13.975 1.00 3.21 C ATOM 0 H TRP A 60 -8.736 5.607 -18.847 1.00 72.13 H new ATOM 0 HA TRP A 60 -7.729 4.645 -17.127 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -7.110 6.928 -16.384 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -8.608 7.045 -15.481 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -8.567 6.116 -13.020 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -6.861 4.831 -11.564 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.165 5.008 -16.665 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -4.396 3.534 -11.967 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -3.155 3.728 -16.053 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -2.777 3.004 -13.734 1.00 3.21 H new ATOM 897 N PRO A 61 -9.591 3.188 -16.246 1.00 53.15 N ATOM 898 CA PRO A 61 -10.563 2.306 -15.586 1.00 60.42 C ATOM 899 C PRO A 61 -10.328 2.214 -14.074 1.00 63.32 C ATOM 900 O PRO A 61 -11.180 2.628 -13.280 1.00 74.04 O ATOM 901 CB PRO A 61 -10.340 0.946 -16.268 1.00 23.13 C ATOM 902 CG PRO A 61 -8.937 0.995 -16.774 1.00 54.12 C ATOM 903 CD PRO A 61 -8.667 2.438 -17.121 1.00 12.01 C ATOM 0 HA PRO A 61 -11.585 2.672 -15.686 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -10.478 0.124 -15.565 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -11.048 0.791 -17.082 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -8.237 0.639 -16.018 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -8.815 0.355 -17.648 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -7.628 2.708 -16.931 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -8.861 2.639 -18.174 1.00 12.01 H new ATOM 911 N ASP A 62 -9.167 1.692 -13.684 1.00 32.11 N ATOM 912 CA ASP A 62 -8.819 1.523 -12.276 1.00 14.31 C ATOM 913 C ASP A 62 -7.315 1.322 -12.134 1.00 34.34 C ATOM 914 O ASP A 62 -6.640 0.946 -13.096 1.00 74.44 O ATOM 915 CB ASP A 62 -9.577 0.333 -11.662 1.00 44.51 C ATOM 916 CG ASP A 62 -9.165 -1.009 -12.255 1.00 24.42 C ATOM 917 OD1 ASP A 62 -9.532 -1.295 -13.416 1.00 14.01 O ATOM 918 OD2 ASP A 62 -8.486 -1.791 -11.556 1.00 61.41 O ATOM 0 H ASP A 62 -8.445 1.376 -14.331 1.00 32.11 H new ATOM 0 HA ASP A 62 -9.111 2.424 -11.737 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -9.404 0.316 -10.586 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -10.647 0.476 -11.811 1.00 44.51 H new ATOM 923 N ILE A 63 -6.799 1.582 -10.937 1.00 0.00 N ATOM 924 CA ILE A 63 -5.361 1.510 -10.672 1.00 44.50 C ATOM 925 C ILE A 63 -4.892 0.064 -10.500 1.00 32.32 C ATOM 926 O ILE A 63 -3.692 -0.200 -10.410 1.00 13.12 O ATOM 927 CB ILE A 63 -4.987 2.340 -9.413 1.00 41.40 C ATOM 928 CG1 ILE A 63 -3.475 2.629 -9.377 1.00 23.02 C ATOM 929 CG2 ILE A 63 -5.432 1.622 -8.134 1.00 3.52 C ATOM 930 CD1 ILE A 63 -3.052 3.562 -8.260 1.00 43.03 C ATOM 0 H ILE A 63 -7.359 1.847 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 63 -4.853 1.933 -11.539 1.00 44.50 H new ATOM 0 HB ILE A 63 -5.514 3.293 -9.468 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -2.938 1.686 -9.272 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -3.175 3.062 -10.331 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -5.159 2.222 -7.266 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -6.513 1.481 -8.153 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -4.941 0.651 -8.072 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -1.974 3.715 -8.303 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -3.560 4.520 -8.374 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -3.318 3.123 -7.299 1.00 43.03 H new ATOM 942 N ARG A 64 -5.849 -0.860 -10.459 1.00 63.13 N ATOM 943 CA ARG A 64 -5.561 -2.283 -10.301 1.00 42.30 C ATOM 944 C ARG A 64 -4.679 -2.523 -9.067 1.00 24.20 C ATOM 945 O ARG A 64 -3.469 -2.730 -9.184 1.00 71.42 O ATOM 946 CB ARG A 64 -4.897 -2.830 -11.578 1.00 5.01 C ATOM 947 CG ARG A 64 -4.925 -4.348 -11.701 1.00 72.23 C ATOM 948 CD ARG A 64 -6.354 -4.887 -11.675 1.00 23.51 C ATOM 949 NE ARG A 64 -7.253 -4.117 -12.546 1.00 24.12 N ATOM 950 CZ ARG A 64 -8.026 -4.640 -13.498 1.00 51.34 C ATOM 951 NH1 ARG A 64 -8.020 -5.945 -13.731 1.00 21.41 N ATOM 952 NH2 ARG A 64 -8.819 -3.850 -14.205 1.00 1.45 N ATOM 0 H ARG A 64 -6.843 -0.644 -10.534 1.00 63.13 H new ATOM 0 HA ARG A 64 -6.497 -2.819 -10.146 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -5.396 -2.398 -12.446 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -3.860 -2.494 -11.606 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -4.439 -4.648 -12.630 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -4.353 -4.791 -10.885 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -6.353 -5.931 -11.989 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -6.732 -4.862 -10.653 1.00 23.51 H new ATOM 0 HE ARG A 64 -7.288 -3.106 -12.412 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -7.420 -6.559 -13.180 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -8.615 -6.335 -14.462 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -8.836 -2.847 -14.020 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -9.413 -4.244 -14.935 1.00 1.45 H new ATOM 966 N PRO A 65 -5.280 -2.467 -7.862 1.00 13.42 N ATOM 967 CA PRO A 65 -4.542 -2.602 -6.599 1.00 21.15 C ATOM 968 C PRO A 65 -3.781 -3.926 -6.509 1.00 52.11 C ATOM 969 O PRO A 65 -4.374 -4.987 -6.291 1.00 62.12 O ATOM 970 CB PRO A 65 -5.639 -2.521 -5.522 1.00 31.52 C ATOM 971 CG PRO A 65 -6.782 -1.839 -6.195 1.00 32.30 C ATOM 972 CD PRO A 65 -6.724 -2.271 -7.634 1.00 31.11 C ATOM 0 HA PRO A 65 -3.777 -1.833 -6.491 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -5.922 -3.513 -5.170 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -5.299 -1.959 -4.652 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -7.731 -2.123 -5.739 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -6.698 -0.756 -6.108 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -7.288 -3.188 -7.803 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -7.139 -1.514 -8.300 1.00 31.11 H new ATOM 980 N LYS A 66 -2.473 -3.860 -6.725 1.00 32.35 N ATOM 981 CA LYS A 66 -1.606 -5.022 -6.594 1.00 12.54 C ATOM 982 C LYS A 66 -0.197 -4.576 -6.224 1.00 64.54 C ATOM 983 O LYS A 66 0.639 -4.324 -7.093 1.00 64.34 O ATOM 984 CB LYS A 66 -1.604 -5.848 -7.895 1.00 13.42 C ATOM 985 CG LYS A 66 -0.730 -7.104 -7.843 1.00 20.12 C ATOM 986 CD LYS A 66 -1.143 -8.081 -6.734 1.00 14.20 C ATOM 987 CE LYS A 66 -2.509 -8.728 -6.981 1.00 34.20 C ATOM 988 NZ LYS A 66 -3.637 -7.778 -6.782 1.00 63.22 N ATOM 0 H LYS A 66 -1.987 -3.005 -6.994 1.00 32.35 H new ATOM 0 HA LYS A 66 -1.987 -5.661 -5.798 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -2.628 -6.141 -8.127 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -1.261 -5.215 -8.713 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -0.780 -7.614 -8.805 1.00 20.12 H new ATOM 0 HG3 LYS A 66 0.309 -6.810 -7.692 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -0.388 -8.862 -6.647 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -1.165 -7.552 -5.781 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -2.543 -9.119 -7.998 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -2.631 -9.577 -6.309 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -4.414 -8.260 -6.286 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -3.313 -6.969 -6.214 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -3.973 -7.440 -7.706 1.00 63.22 H new ATOM 1002 N SER A 67 0.040 -4.449 -4.922 1.00 62.31 N ATOM 1003 CA SER A 67 1.324 -4.015 -4.395 1.00 54.23 C ATOM 1004 C SER A 67 2.250 -5.214 -4.190 1.00 53.41 C ATOM 1005 O SER A 67 1.909 -6.160 -3.473 1.00 22.22 O ATOM 1006 CB SER A 67 1.104 -3.262 -3.075 1.00 60.21 C ATOM 1007 OG SER A 67 0.199 -3.967 -2.234 1.00 72.44 O ATOM 0 H SER A 67 -0.656 -4.645 -4.203 1.00 62.31 H new ATOM 0 HA SER A 67 1.800 -3.344 -5.110 1.00 54.23 H new ATOM 0 HB2 SER A 67 2.057 -3.132 -2.562 1.00 60.21 H new ATOM 0 HB3 SER A 67 0.714 -2.265 -3.281 1.00 60.21 H new ATOM 0 HG SER A 67 0.378 -4.929 -2.294 1.00 72.44 H new ATOM 1013 N LEU A 68 3.412 -5.173 -4.831 1.00 64.11 N ATOM 1014 CA LEU A 68 4.396 -6.250 -4.750 1.00 43.11 C ATOM 1015 C LEU A 68 5.793 -5.655 -4.599 1.00 71.30 C ATOM 1016 O LEU A 68 5.991 -4.462 -4.851 1.00 53.54 O ATOM 1017 CB LEU A 68 4.338 -7.137 -6.008 1.00 3.52 C ATOM 1018 CG LEU A 68 3.023 -7.908 -6.227 1.00 74.14 C ATOM 1019 CD1 LEU A 68 3.063 -8.677 -7.547 1.00 65.05 C ATOM 1020 CD2 LEU A 68 2.751 -8.853 -5.055 1.00 63.42 C ATOM 0 H LEU A 68 3.700 -4.393 -5.422 1.00 64.11 H new ATOM 0 HA LEU A 68 4.167 -6.869 -3.882 1.00 43.11 H new ATOM 0 HB2 LEU A 68 4.518 -6.509 -6.880 1.00 3.52 H new ATOM 0 HB3 LEU A 68 5.155 -7.857 -5.959 1.00 3.52 H new ATOM 0 HG LEU A 68 2.207 -7.187 -6.279 1.00 74.14 H new ATOM 0 HD11 LEU A 68 2.125 -9.215 -7.683 1.00 65.05 H new ATOM 0 HD12 LEU A 68 3.203 -7.978 -8.371 1.00 65.05 H new ATOM 0 HD13 LEU A 68 3.889 -9.387 -7.529 1.00 65.05 H new ATOM 0 HD21 LEU A 68 1.818 -9.389 -5.228 1.00 63.42 H new ATOM 0 HD22 LEU A 68 3.569 -9.568 -4.967 1.00 63.42 H new ATOM 0 HD23 LEU A 68 2.673 -8.276 -4.133 1.00 63.42 H new ATOM 1032 N ARG A 69 6.749 -6.485 -4.189 1.00 72.54 N ATOM 1033 CA ARG A 69 8.137 -6.054 -4.037 1.00 51.11 C ATOM 1034 C ARG A 69 8.634 -5.381 -5.315 1.00 31.31 C ATOM 1035 O ARG A 69 9.000 -4.203 -5.306 1.00 25.43 O ATOM 1036 CB ARG A 69 9.031 -7.250 -3.684 1.00 23.24 C ATOM 1037 CG ARG A 69 10.521 -6.916 -3.630 1.00 3.32 C ATOM 1038 CD ARG A 69 11.357 -8.132 -3.252 1.00 63.15 C ATOM 1039 NE ARG A 69 12.794 -7.860 -3.308 1.00 63.40 N ATOM 1040 CZ ARG A 69 13.723 -8.652 -2.772 1.00 21.44 C ATOM 1041 NH1 ARG A 69 13.366 -9.736 -2.090 1.00 44.15 N ATOM 1042 NH2 ARG A 69 15.008 -8.356 -2.913 1.00 11.13 N ATOM 0 H ARG A 69 6.587 -7.464 -3.955 1.00 72.54 H new ATOM 0 HA ARG A 69 8.185 -5.329 -3.224 1.00 51.11 H new ATOM 0 HB2 ARG A 69 8.723 -7.648 -2.717 1.00 23.24 H new ATOM 0 HB3 ARG A 69 8.872 -8.039 -4.419 1.00 23.24 H new ATOM 0 HG2 ARG A 69 10.845 -6.539 -4.600 1.00 3.32 H new ATOM 0 HG3 ARG A 69 10.689 -6.119 -2.906 1.00 3.32 H new ATOM 0 HD2 ARG A 69 11.090 -8.455 -2.246 1.00 63.15 H new ATOM 0 HD3 ARG A 69 11.119 -8.956 -3.925 1.00 63.15 H new ATOM 0 HE ARG A 69 13.103 -7.014 -3.786 1.00 63.40 H new ATOM 0 HH11 ARG A 69 12.378 -9.964 -1.975 1.00 44.15 H new ATOM 0 HH12 ARG A 69 14.080 -10.339 -1.681 1.00 44.15 H new ATOM 0 HH21 ARG A 69 15.285 -7.523 -3.431 1.00 11.13 H new ATOM 0 HH22 ARG A 69 15.719 -8.962 -2.503 1.00 11.13 H new ATOM 1056 N ASP A 70 8.636 -6.128 -6.414 1.00 3.11 N ATOM 1057 CA ASP A 70 9.029 -5.579 -7.707 1.00 55.45 C ATOM 1058 C ASP A 70 8.496 -6.450 -8.839 1.00 61.12 C ATOM 1059 O ASP A 70 8.427 -7.676 -8.721 1.00 62.15 O ATOM 1060 CB ASP A 70 10.557 -5.448 -7.820 1.00 35.03 C ATOM 1061 CG ASP A 70 10.982 -4.540 -8.970 1.00 22.05 C ATOM 1062 OD1 ASP A 70 10.853 -4.946 -10.145 1.00 32.01 O ATOM 1063 OD2 ASP A 70 11.431 -3.402 -8.701 1.00 72.12 O ATOM 0 H ASP A 70 8.371 -7.113 -6.436 1.00 3.11 H new ATOM 0 HA ASP A 70 8.596 -4.582 -7.788 1.00 55.45 H new ATOM 0 HB2 ASP A 70 10.955 -5.055 -6.885 1.00 35.03 H new ATOM 0 HB3 ASP A 70 10.994 -6.437 -7.961 1.00 35.03 H new ATOM 1068 N LYS A 71 8.107 -5.793 -9.920 1.00 32.23 N ATOM 1069 CA LYS A 71 7.612 -6.453 -11.123 1.00 5.13 C ATOM 1070 C LYS A 71 7.795 -5.502 -12.308 1.00 53.24 C ATOM 1071 O LYS A 71 7.289 -5.732 -13.405 1.00 70.21 O ATOM 1072 CB LYS A 71 6.123 -6.819 -10.948 1.00 1.23 C ATOM 1073 CG LYS A 71 5.531 -7.631 -12.106 1.00 12.31 C ATOM 1074 CD LYS A 71 6.099 -9.050 -12.174 1.00 64.40 C ATOM 1075 CE LYS A 71 5.543 -9.943 -11.070 1.00 71.42 C ATOM 1076 NZ LYS A 71 4.079 -10.170 -11.212 1.00 55.15 N ATOM 0 H LYS A 71 8.125 -4.776 -9.990 1.00 32.23 H new ATOM 0 HA LYS A 71 8.168 -7.373 -11.303 1.00 5.13 H new ATOM 0 HB2 LYS A 71 6.007 -7.387 -10.025 1.00 1.23 H new ATOM 0 HB3 LYS A 71 5.547 -5.901 -10.832 1.00 1.23 H new ATOM 0 HG2 LYS A 71 4.448 -7.681 -11.994 1.00 12.31 H new ATOM 0 HG3 LYS A 71 5.731 -7.117 -13.046 1.00 12.31 H new ATOM 0 HD2 LYS A 71 5.866 -9.487 -13.145 1.00 64.40 H new ATOM 0 HD3 LYS A 71 7.185 -9.010 -12.095 1.00 64.40 H new ATOM 0 HE2 LYS A 71 6.061 -10.902 -11.086 1.00 71.42 H new ATOM 0 HE3 LYS A 71 5.746 -9.488 -10.101 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 3.814 -11.047 -10.719 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 3.562 -9.369 -10.796 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 3.837 -10.253 -12.220 1.00 55.15 H new ATOM 1090 N LEU A 72 8.574 -4.451 -12.082 1.00 31.23 N ATOM 1091 CA LEU A 72 8.641 -3.328 -13.004 1.00 75.41 C ATOM 1092 C LEU A 72 9.945 -3.382 -13.799 1.00 62.01 C ATOM 1093 O LEU A 72 10.790 -2.485 -13.713 1.00 24.31 O ATOM 1094 CB LEU A 72 8.511 -2.004 -12.222 1.00 44.43 C ATOM 1095 CG LEU A 72 7.697 -0.894 -12.913 1.00 35.43 C ATOM 1096 CD1 LEU A 72 7.651 0.358 -12.037 1.00 41.32 C ATOM 1097 CD2 LEU A 72 8.266 -0.570 -14.295 1.00 22.35 C ATOM 0 H LEU A 72 9.172 -4.355 -11.261 1.00 31.23 H new ATOM 0 HA LEU A 72 7.815 -3.386 -13.713 1.00 75.41 H new ATOM 0 HB2 LEU A 72 8.052 -2.218 -11.257 1.00 44.43 H new ATOM 0 HB3 LEU A 72 9.512 -1.623 -12.021 1.00 44.43 H new ATOM 0 HG LEU A 72 6.678 -1.257 -13.051 1.00 35.43 H new ATOM 0 HD11 LEU A 72 7.072 1.133 -12.540 1.00 41.32 H new ATOM 0 HD12 LEU A 72 7.183 0.117 -11.082 1.00 41.32 H new ATOM 0 HD13 LEU A 72 8.665 0.718 -11.863 1.00 41.32 H new ATOM 0 HD21 LEU A 72 7.671 0.217 -14.758 1.00 22.35 H new ATOM 0 HD22 LEU A 72 9.298 -0.233 -14.194 1.00 22.35 H new ATOM 0 HD23 LEU A 72 8.236 -1.463 -14.919 1.00 22.35 H new ATOM 1109 N ALA A 73 10.113 -4.468 -14.535 1.00 21.05 N ATOM 1110 CA ALA A 73 11.258 -4.635 -15.423 1.00 32.42 C ATOM 1111 C ALA A 73 10.972 -4.004 -16.784 1.00 24.44 C ATOM 1112 O ALA A 73 9.831 -4.014 -17.259 1.00 3.22 O ATOM 1113 CB ALA A 73 11.590 -6.115 -15.579 1.00 13.24 C ATOM 0 H ALA A 73 9.465 -5.256 -14.536 1.00 21.05 H new ATOM 0 HA ALA A 73 12.118 -4.130 -14.984 1.00 32.42 H new ATOM 0 HB1 ALA A 73 12.446 -6.228 -16.244 1.00 13.24 H new ATOM 0 HB2 ALA A 73 11.830 -6.539 -14.604 1.00 13.24 H new ATOM 0 HB3 ALA A 73 10.732 -6.638 -16.001 1.00 13.24 H new ATOM 1119 N THR A 74 12.005 -3.450 -17.405 1.00 10.11 N ATOM 1120 CA THR A 74 11.876 -2.822 -18.711 1.00 74.24 C ATOM 1121 C THR A 74 11.814 -3.881 -19.814 1.00 61.13 C ATOM 1122 O THR A 74 12.813 -4.168 -20.478 1.00 15.44 O ATOM 1123 CB THR A 74 13.050 -1.847 -18.966 1.00 41.53 C ATOM 1124 OG1 THR A 74 14.286 -2.480 -18.600 1.00 14.22 O ATOM 1125 CG2 THR A 74 12.883 -0.557 -18.165 1.00 11.04 C ATOM 0 H THR A 74 12.949 -3.424 -17.020 1.00 10.11 H new ATOM 0 HA THR A 74 10.946 -2.253 -18.725 1.00 74.24 H new ATOM 0 HB THR A 74 13.058 -1.593 -20.026 1.00 41.53 H new ATOM 0 HG1 THR A 74 14.361 -3.341 -19.061 1.00 14.22 H new ATOM 0 HG21 THR A 74 13.724 0.107 -18.366 1.00 11.04 H new ATOM 0 HG22 THR A 74 11.955 -0.066 -18.456 1.00 11.04 H new ATOM 0 HG23 THR A 74 12.851 -0.791 -17.101 1.00 11.04 H new ATOM 1133 N GLY A 75 10.642 -4.493 -19.975 1.00 52.32 N ATOM 1134 CA GLY A 75 10.474 -5.537 -20.975 1.00 72.52 C ATOM 1135 C GLY A 75 9.255 -5.331 -21.852 1.00 42.43 C ATOM 1136 O GLY A 75 8.909 -6.202 -22.657 1.00 43.23 O ATOM 0 H GLY A 75 9.805 -4.285 -19.431 1.00 52.32 H new ATOM 0 HA2 GLY A 75 11.364 -5.576 -21.603 1.00 72.52 H new ATOM 0 HA3 GLY A 75 10.395 -6.502 -20.474 1.00 72.52 H new ATOM 1140 N ARG A 76 8.601 -4.180 -21.705 1.00 35.04 N ATOM 1141 CA ARG A 76 7.424 -3.863 -22.508 1.00 4.50 C ATOM 1142 C ARG A 76 7.844 -3.520 -23.938 1.00 12.31 C ATOM 1143 O ARG A 76 8.203 -2.380 -24.241 1.00 73.20 O ATOM 1144 CB ARG A 76 6.624 -2.711 -21.878 1.00 60.21 C ATOM 1145 CG ARG A 76 5.365 -2.319 -22.660 1.00 70.14 C ATOM 1146 CD ARG A 76 4.406 -3.497 -22.842 1.00 54.54 C ATOM 1147 NE ARG A 76 3.922 -4.025 -21.562 1.00 2.04 N ATOM 1148 CZ ARG A 76 3.042 -5.024 -21.444 1.00 41.13 C ATOM 1149 NH1 ARG A 76 2.553 -5.620 -22.523 1.00 34.14 N ATOM 1150 NH2 ARG A 76 2.657 -5.427 -20.242 1.00 60.43 N ATOM 0 H ARG A 76 8.866 -3.454 -21.039 1.00 35.04 H new ATOM 0 HA ARG A 76 6.775 -4.738 -22.537 1.00 4.50 H new ATOM 0 HB2 ARG A 76 6.336 -2.995 -20.866 1.00 60.21 H new ATOM 0 HB3 ARG A 76 7.271 -1.838 -21.792 1.00 60.21 H new ATOM 0 HG2 ARG A 76 4.851 -1.512 -22.137 1.00 70.14 H new ATOM 0 HG3 ARG A 76 5.653 -1.933 -23.638 1.00 70.14 H new ATOM 0 HD2 ARG A 76 3.556 -3.180 -23.446 1.00 54.54 H new ATOM 0 HD3 ARG A 76 4.910 -4.291 -23.393 1.00 54.54 H new ATOM 0 HE ARG A 76 4.281 -3.602 -20.706 1.00 2.04 H new ATOM 0 HH11 ARG A 76 2.848 -5.317 -23.451 1.00 34.14 H new ATOM 0 HH12 ARG A 76 1.882 -6.382 -22.425 1.00 34.14 H new ATOM 0 HH21 ARG A 76 3.032 -4.975 -19.408 1.00 60.43 H new ATOM 0 HH22 ARG A 76 1.985 -6.189 -20.151 1.00 60.43 H new ATOM 1164 N GLY A 77 7.834 -4.536 -24.791 1.00 43.11 N ATOM 1165 CA GLY A 77 8.218 -4.375 -26.181 1.00 54.42 C ATOM 1166 C GLY A 77 8.637 -5.698 -26.787 1.00 15.24 C ATOM 1167 O GLY A 77 9.770 -6.142 -26.598 1.00 61.11 O ATOM 0 H GLY A 77 7.561 -5.486 -24.539 1.00 43.11 H new ATOM 0 HA2 GLY A 77 7.383 -3.960 -26.746 1.00 54.42 H new ATOM 0 HA3 GLY A 77 9.039 -3.661 -26.255 1.00 54.42 H new ATOM 1171 N PHE A 78 7.719 -6.340 -27.503 1.00 22.23 N ATOM 1172 CA PHE A 78 7.967 -7.668 -28.056 1.00 73.44 C ATOM 1173 C PHE A 78 8.522 -7.574 -29.477 1.00 12.01 C ATOM 1174 O PHE A 78 9.668 -7.947 -29.730 1.00 2.23 O ATOM 1175 CB PHE A 78 6.676 -8.503 -28.042 1.00 60.31 C ATOM 1176 CG PHE A 78 6.849 -9.902 -28.584 1.00 23.21 C ATOM 1177 CD1 PHE A 78 7.540 -10.861 -27.855 1.00 25.02 C ATOM 1178 CD2 PHE A 78 6.317 -10.261 -29.816 1.00 23.21 C ATOM 1179 CE1 PHE A 78 7.697 -12.145 -28.343 1.00 31.41 C ATOM 1180 CE2 PHE A 78 6.472 -11.542 -30.308 1.00 21.11 C ATOM 1181 CZ PHE A 78 7.161 -12.484 -29.571 1.00 42.13 C ATOM 0 H PHE A 78 6.796 -5.962 -27.714 1.00 22.23 H new ATOM 0 HA PHE A 78 8.712 -8.161 -27.432 1.00 73.44 H new ATOM 0 HB2 PHE A 78 6.304 -8.563 -27.019 1.00 60.31 H new ATOM 0 HB3 PHE A 78 5.915 -7.988 -28.628 1.00 60.31 H new ATOM 0 HD1 PHE A 78 7.960 -10.600 -26.895 1.00 25.02 H new ATOM 0 HD2 PHE A 78 5.775 -9.529 -30.396 1.00 23.21 H new ATOM 0 HE1 PHE A 78 8.237 -12.881 -27.766 1.00 31.41 H new ATOM 0 HE2 PHE A 78 6.055 -11.806 -31.268 1.00 21.11 H new ATOM 0 HZ PHE A 78 7.281 -13.487 -29.954 1.00 42.13 H new ATOM 1191 N ASP A 79 7.715 -7.058 -30.398 1.00 52.44 N ATOM 1192 CA ASP A 79 8.086 -7.028 -31.813 1.00 4.14 C ATOM 1193 C ASP A 79 8.066 -5.602 -32.355 1.00 34.43 C ATOM 1194 O ASP A 79 7.015 -5.087 -32.743 1.00 22.44 O ATOM 1195 CB ASP A 79 7.141 -7.917 -32.631 1.00 50.33 C ATOM 1196 CG ASP A 79 7.533 -8.003 -34.101 1.00 31.15 C ATOM 1197 OD1 ASP A 79 8.402 -8.831 -34.443 1.00 63.52 O ATOM 1198 OD2 ASP A 79 6.969 -7.250 -34.926 1.00 74.11 O ATOM 0 H ASP A 79 6.801 -6.655 -30.193 1.00 52.44 H new ATOM 0 HA ASP A 79 9.102 -7.413 -31.903 1.00 4.14 H new ATOM 0 HB2 ASP A 79 7.132 -8.920 -32.203 1.00 50.33 H new ATOM 0 HB3 ASP A 79 6.126 -7.528 -32.553 1.00 50.33 H new ATOM 1203 N GLN A 80 9.235 -4.973 -32.345 1.00 32.33 N ATOM 1204 CA GLN A 80 9.433 -3.635 -32.908 1.00 51.35 C ATOM 1205 C GLN A 80 10.883 -3.203 -32.660 1.00 60.12 C ATOM 1206 O GLN A 80 11.735 -3.428 -33.546 1.00 14.05 O ATOM 1207 CB GLN A 80 8.449 -2.611 -32.290 1.00 42.55 C ATOM 1208 CG GLN A 80 8.055 -1.469 -33.229 1.00 4.25 C ATOM 1209 CD GLN A 80 9.220 -0.568 -33.613 1.00 22.13 C ATOM 1210 OE1 GLN A 80 9.919 -0.818 -34.594 1.00 60.13 O ATOM 1211 NE2 GLN A 80 9.425 0.495 -32.853 1.00 63.52 N ATOM 1212 OXT GLN A 80 11.174 -2.678 -31.564 1.00 0.00 O ATOM 0 H GLN A 80 10.081 -5.377 -31.944 1.00 32.33 H new ATOM 0 HA GLN A 80 9.234 -3.669 -33.979 1.00 51.35 H new ATOM 0 HB2 GLN A 80 7.546 -3.136 -31.977 1.00 42.55 H new ATOM 0 HB3 GLN A 80 8.900 -2.188 -31.392 1.00 42.55 H new ATOM 0 HG2 GLN A 80 7.617 -1.889 -34.135 1.00 4.25 H new ATOM 0 HG3 GLN A 80 7.283 -0.867 -32.751 1.00 4.25 H new ATOM 0 HE21 GLN A 80 8.824 0.669 -32.047 1.00 63.52 H new ATOM 0 HE22 GLN A 80 10.184 1.140 -33.073 1.00 63.52 H new TER 1221 GLN A 80