USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 497 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 32 GLN :FLIP amide:sc= 0.491 F(o=0.23,f=1) USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 0.518 USER MOD Set 2.1: A 25 CYS SG : rot -95:sc= 0.526 USER MOD Set 2.2: A 27 CYS SG : rot -169:sc= 0.168 USER MOD Set 2.3: A 47 CYS SG : rot -52:sc= -0.0831 USER MOD Set 2.4: A 50 CYS SG : rot -147:sc= 0.288 USER MOD Single : A 3 THR OG1 : rot 150:sc= 1.24 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -156:sc= -0.294 (180deg=-1.02) USER MOD Single : A 13 THR OG1 : rot -160:sc= -0.0381 USER MOD Single : A 18 ASN : amide:sc= -0.416 X(o=-0.42,f=-0.78) USER MOD Single : A 19 GLN : amide:sc= 1.11 K(o=1.1,f=-0.18) USER MOD Single : A 20 MET CE :methyl 152:sc= 0 (180deg=-0.577) USER MOD Single : A 22 THR OG1 : rot -140:sc= 0.0649 USER MOD Single : A 23 TYR OH : rot 23:sc= 1.04 USER MOD Single : A 38 MET CE :methyl 164:sc= -0.523 (180deg=-1.12) USER MOD Single : A 43 LYS NZ :NH3+ 178:sc= 2.45 (180deg=2.19) USER MOD Single : A 49 SER OG : rot 150:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -150:sc= -0.38 (180deg=-1.58!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -40:sc= 0.0855 USER MOD Single : A 67 TYR OH : rot 130:sc= -0.177 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -8.632 10.017 -14.056 1.00 0.00 N ATOM 30 CA THR A 3 -7.353 9.815 -14.709 1.00 0.00 C ATOM 31 C THR A 3 -6.228 10.257 -13.790 1.00 0.00 C ATOM 32 O THR A 3 -5.957 11.450 -13.642 1.00 0.00 O ATOM 33 CB THR A 3 -7.274 10.572 -16.040 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.811 11.894 -15.896 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.028 9.825 -17.120 1.00 0.00 C ATOM 0 HA THR A 3 -7.250 8.752 -14.925 1.00 0.00 H new ATOM 0 HB THR A 3 -6.226 10.646 -16.330 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.362 12.499 -16.522 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.962 10.376 -18.058 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.592 8.835 -17.250 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.074 9.726 -16.831 1.00 0.00 H new ATOM 43 N TYR A 4 -5.589 9.290 -13.155 1.00 0.00 N ATOM 44 CA TYR A 4 -4.612 9.580 -12.116 1.00 0.00 C ATOM 45 C TYR A 4 -3.307 10.102 -12.710 1.00 0.00 C ATOM 46 O TYR A 4 -2.582 10.858 -12.067 1.00 0.00 O ATOM 47 CB TYR A 4 -4.344 8.324 -11.281 1.00 0.00 C ATOM 48 CG TYR A 4 -3.980 8.617 -9.838 1.00 0.00 C ATOM 49 CD1 TYR A 4 -2.728 9.113 -9.496 1.00 0.00 C ATOM 50 CD2 TYR A 4 -4.902 8.409 -8.818 1.00 0.00 C ATOM 51 CE1 TYR A 4 -2.406 9.391 -8.182 1.00 0.00 C ATOM 52 CE2 TYR A 4 -4.587 8.688 -7.502 1.00 0.00 C ATOM 53 CZ TYR A 4 -3.338 9.178 -7.190 1.00 0.00 C ATOM 54 OH TYR A 4 -3.022 9.467 -5.881 1.00 0.00 O ATOM 0 H TYR A 4 -5.728 8.297 -13.340 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.025 10.359 -11.474 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.230 7.689 -11.301 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.535 7.757 -11.743 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.995 9.284 -10.270 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.881 8.023 -9.059 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.427 9.774 -7.933 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.316 8.523 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 4 -3.789 9.261 -5.306 1.00 0.00 H new ATOM 64 N ASP A 5 -3.022 9.722 -13.946 1.00 0.00 N ATOM 65 CA ASP A 5 -1.743 10.062 -14.553 1.00 0.00 C ATOM 66 C ASP A 5 -1.924 10.706 -15.918 1.00 0.00 C ATOM 67 O ASP A 5 -3.008 10.658 -16.506 1.00 0.00 O ATOM 68 CB ASP A 5 -0.852 8.819 -14.672 1.00 0.00 C ATOM 69 CG ASP A 5 -0.227 8.415 -13.347 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.784 9.037 -12.944 1.00 0.00 O ATOM 71 OD2 ASP A 5 -0.740 7.475 -12.704 1.00 0.00 O ATOM 0 H ASP A 5 -3.650 9.184 -14.543 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.256 10.787 -13.900 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.444 7.989 -15.058 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.062 9.012 -15.398 1.00 0.00 H new ATOM 76 N GLU A 6 -0.849 11.311 -16.406 1.00 0.00 N ATOM 77 CA GLU A 6 -0.837 11.968 -17.704 1.00 0.00 C ATOM 78 C GLU A 6 0.560 11.859 -18.310 1.00 0.00 C ATOM 79 O GLU A 6 1.527 12.378 -17.751 1.00 0.00 O ATOM 80 CB GLU A 6 -1.257 13.436 -17.552 1.00 0.00 C ATOM 81 CG GLU A 6 -1.255 14.225 -18.852 1.00 0.00 C ATOM 82 CD GLU A 6 -1.771 15.638 -18.676 1.00 0.00 C ATOM 83 OE1 GLU A 6 -1.073 16.454 -18.038 1.00 0.00 O ATOM 84 OE2 GLU A 6 -2.876 15.942 -19.171 1.00 0.00 O ATOM 0 H GLU A 6 0.041 11.359 -15.910 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.548 11.481 -18.371 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.257 13.473 -17.120 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.586 13.922 -16.844 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.241 14.259 -19.250 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.869 13.707 -19.588 1.00 0.00 H new ATOM 91 N ILE A 7 0.672 11.175 -19.440 1.00 0.00 N ATOM 92 CA ILE A 7 1.980 10.883 -20.026 1.00 0.00 C ATOM 93 C ILE A 7 2.143 11.620 -21.346 1.00 0.00 C ATOM 94 O ILE A 7 1.164 11.869 -22.043 1.00 0.00 O ATOM 95 CB ILE A 7 2.179 9.363 -20.279 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.887 8.547 -19.024 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.590 9.072 -20.758 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.434 8.173 -18.888 1.00 0.00 C ATOM 0 H ILE A 7 -0.120 10.812 -19.970 1.00 0.00 H new ATOM 0 HA ILE A 7 2.730 11.217 -19.309 1.00 0.00 H new ATOM 0 HB ILE A 7 1.472 9.071 -21.056 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.490 7.639 -19.040 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.193 9.118 -18.147 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.703 8.001 -20.928 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.776 9.609 -21.688 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.305 9.397 -20.002 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.291 7.594 -17.976 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.172 9.078 -18.842 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.130 7.576 -19.748 1.00 0.00 H new ATOM 110 N GLU A 8 3.375 11.976 -21.684 1.00 0.00 N ATOM 111 CA GLU A 8 3.654 12.606 -22.964 1.00 0.00 C ATOM 112 C GLU A 8 3.426 11.616 -24.100 1.00 0.00 C ATOM 113 O GLU A 8 3.702 10.422 -23.962 1.00 0.00 O ATOM 114 CB GLU A 8 5.090 13.124 -23.023 1.00 0.00 C ATOM 115 CG GLU A 8 5.410 14.168 -21.971 1.00 0.00 C ATOM 116 CD GLU A 8 6.760 14.813 -22.196 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.784 14.218 -21.806 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.803 15.918 -22.768 1.00 0.00 O ATOM 0 H GLU A 8 4.193 11.839 -21.091 1.00 0.00 H new ATOM 0 HA GLU A 8 2.974 13.451 -23.074 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.774 12.283 -22.907 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.272 13.549 -24.010 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.637 14.936 -21.977 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.391 13.705 -20.985 1.00 0.00 H new ATOM 125 N ILE A 9 2.925 12.123 -25.216 1.00 0.00 N ATOM 126 CA ILE A 9 2.690 11.317 -26.412 1.00 0.00 C ATOM 127 C ILE A 9 3.977 10.644 -26.885 1.00 0.00 C ATOM 128 O ILE A 9 3.946 9.572 -27.483 1.00 0.00 O ATOM 129 CB ILE A 9 2.083 12.185 -27.544 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.729 11.332 -28.765 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.032 13.315 -27.935 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.916 12.076 -29.805 1.00 0.00 C ATOM 0 H ILE A 9 2.669 13.105 -25.322 1.00 0.00 H new ATOM 0 HA ILE A 9 1.976 10.535 -26.154 1.00 0.00 H new ATOM 0 HB ILE A 9 1.163 12.628 -27.163 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.649 10.970 -29.225 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.170 10.456 -28.437 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.582 13.909 -28.731 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.218 13.950 -27.069 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.975 12.894 -28.285 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.701 11.412 -30.642 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.020 12.415 -29.361 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.481 12.937 -30.161 1.00 0.00 H new ATOM 144 N GLU A 10 5.104 11.284 -26.597 1.00 0.00 N ATOM 145 CA GLU A 10 6.412 10.758 -26.965 1.00 0.00 C ATOM 146 C GLU A 10 6.780 9.548 -26.108 1.00 0.00 C ATOM 147 O GLU A 10 7.425 8.612 -26.583 1.00 0.00 O ATOM 148 CB GLU A 10 7.473 11.846 -26.803 1.00 0.00 C ATOM 149 CG GLU A 10 7.117 13.150 -27.500 1.00 0.00 C ATOM 150 CD GLU A 10 8.182 14.207 -27.329 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.273 14.794 -26.233 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.941 14.451 -28.292 1.00 0.00 O ATOM 0 H GLU A 10 5.137 12.177 -26.105 1.00 0.00 H new ATOM 0 HA GLU A 10 6.370 10.440 -28.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.623 12.040 -25.741 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.421 11.480 -27.197 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.965 12.960 -28.563 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.172 13.523 -27.105 1.00 0.00 H new ATOM 159 N ASP A 11 6.374 9.571 -24.844 1.00 0.00 N ATOM 160 CA ASP A 11 6.670 8.467 -23.935 1.00 0.00 C ATOM 161 C ASP A 11 5.738 7.299 -24.229 1.00 0.00 C ATOM 162 O ASP A 11 6.155 6.138 -24.213 1.00 0.00 O ATOM 163 CB ASP A 11 6.530 8.905 -22.475 1.00 0.00 C ATOM 164 CG ASP A 11 7.173 7.933 -21.499 1.00 0.00 C ATOM 165 OD1 ASP A 11 6.510 6.961 -21.076 1.00 0.00 O ATOM 166 OD2 ASP A 11 8.349 8.150 -21.132 1.00 0.00 O ATOM 0 H ASP A 11 5.843 10.335 -24.426 1.00 0.00 H new ATOM 0 HA ASP A 11 7.702 8.154 -24.093 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.983 9.889 -22.351 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.472 9.009 -22.232 1.00 0.00 H new ATOM 171 N MET A 12 4.470 7.624 -24.494 1.00 0.00 N ATOM 172 CA MET A 12 3.505 6.653 -25.004 1.00 0.00 C ATOM 173 C MET A 12 4.101 5.902 -26.189 1.00 0.00 C ATOM 174 O MET A 12 4.754 6.493 -27.049 1.00 0.00 O ATOM 175 CB MET A 12 2.218 7.361 -25.437 1.00 0.00 C ATOM 176 CG MET A 12 1.405 7.938 -24.283 1.00 0.00 C ATOM 177 SD MET A 12 0.575 6.663 -23.313 1.00 0.00 S ATOM 178 CE MET A 12 -0.553 5.990 -24.531 1.00 0.00 C ATOM 0 H MET A 12 4.088 8.560 -24.362 1.00 0.00 H new ATOM 0 HA MET A 12 3.269 5.945 -24.210 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.473 8.166 -26.126 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.596 6.656 -25.988 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.063 8.514 -23.632 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.662 8.631 -24.678 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.398 5.523 -24.025 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.913 6.792 -25.175 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.035 5.245 -25.134 1.00 0.00 H new ATOM 188 N THR A 13 3.893 4.598 -26.223 1.00 0.00 N ATOM 189 CA THR A 13 4.471 3.772 -27.262 1.00 0.00 C ATOM 190 C THR A 13 3.652 3.881 -28.543 1.00 0.00 C ATOM 191 O THR A 13 2.538 3.360 -28.640 1.00 0.00 O ATOM 192 CB THR A 13 4.550 2.302 -26.816 1.00 0.00 C ATOM 193 OG1 THR A 13 5.128 2.231 -25.502 1.00 0.00 O ATOM 194 CG2 THR A 13 5.385 1.481 -27.787 1.00 0.00 C ATOM 0 H THR A 13 3.328 4.090 -25.542 1.00 0.00 H new ATOM 0 HA THR A 13 5.483 4.130 -27.453 1.00 0.00 H new ATOM 0 HB THR A 13 3.541 1.891 -26.800 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.470 1.326 -25.343 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.424 0.446 -27.448 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.934 1.521 -28.779 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.396 1.887 -27.831 1.00 0.00 H new ATOM 202 N PHE A 14 4.208 4.579 -29.516 1.00 0.00 N ATOM 203 CA PHE A 14 3.546 4.766 -30.793 1.00 0.00 C ATOM 204 C PHE A 14 3.626 3.495 -31.628 1.00 0.00 C ATOM 205 O PHE A 14 4.701 2.926 -31.811 1.00 0.00 O ATOM 206 CB PHE A 14 4.148 5.962 -31.550 1.00 0.00 C ATOM 207 CG PHE A 14 5.652 5.951 -31.662 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.442 6.435 -30.628 1.00 0.00 C ATOM 209 CD2 PHE A 14 6.276 5.471 -32.805 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.820 6.437 -30.731 1.00 0.00 C ATOM 211 CE2 PHE A 14 7.652 5.470 -32.910 1.00 0.00 C ATOM 212 CZ PHE A 14 8.426 5.954 -31.873 1.00 0.00 C ATOM 0 H PHE A 14 5.121 5.028 -29.445 1.00 0.00 H new ATOM 0 HA PHE A 14 2.494 4.983 -30.606 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.724 5.989 -32.554 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.842 6.881 -31.050 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.974 6.815 -29.732 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.678 5.094 -33.621 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.422 6.816 -29.919 1.00 0.00 H new ATOM 0 HE2 PHE A 14 8.124 5.090 -33.804 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.503 5.954 -31.956 1.00 0.00 H new ATOM 222 N GLU A 15 2.482 3.044 -32.114 1.00 0.00 N ATOM 223 CA GLU A 15 2.427 1.850 -32.932 1.00 0.00 C ATOM 224 C GLU A 15 1.904 2.198 -34.319 1.00 0.00 C ATOM 225 O GLU A 15 0.698 2.143 -34.570 1.00 0.00 O ATOM 226 CB GLU A 15 1.544 0.790 -32.269 1.00 0.00 C ATOM 227 CG GLU A 15 1.667 -0.592 -32.889 1.00 0.00 C ATOM 228 CD GLU A 15 3.068 -1.166 -32.776 1.00 0.00 C ATOM 229 OE1 GLU A 15 3.781 -0.816 -31.814 1.00 0.00 O ATOM 230 OE2 GLU A 15 3.458 -1.971 -33.652 1.00 0.00 O ATOM 0 H GLU A 15 1.578 3.490 -31.954 1.00 0.00 H new ATOM 0 HA GLU A 15 3.432 1.440 -33.031 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.801 0.727 -31.212 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.504 1.111 -32.325 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.963 -1.267 -32.403 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.385 -0.540 -33.940 1.00 0.00 H new ATOM 237 N PRO A 16 2.810 2.579 -35.236 1.00 0.00 N ATOM 238 CA PRO A 16 2.440 2.980 -36.595 1.00 0.00 C ATOM 239 C PRO A 16 1.807 1.831 -37.363 1.00 0.00 C ATOM 240 O PRO A 16 0.993 2.040 -38.255 1.00 0.00 O ATOM 241 CB PRO A 16 3.772 3.398 -37.230 1.00 0.00 C ATOM 242 CG PRO A 16 4.820 2.719 -36.417 1.00 0.00 C ATOM 243 CD PRO A 16 4.269 2.640 -35.023 1.00 0.00 C ATOM 0 HA PRO A 16 1.697 3.778 -36.604 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.824 3.092 -38.275 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.896 4.481 -37.209 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.036 1.725 -36.809 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.755 3.280 -36.437 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.635 1.759 -34.495 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.553 3.509 -34.429 1.00 0.00 H new ATOM 251 N GLU A 17 2.160 0.615 -36.964 1.00 0.00 N ATOM 252 CA GLU A 17 1.643 -0.594 -37.591 1.00 0.00 C ATOM 253 C GLU A 17 0.140 -0.720 -37.365 1.00 0.00 C ATOM 254 O GLU A 17 -0.580 -1.283 -38.191 1.00 0.00 O ATOM 255 CB GLU A 17 2.351 -1.815 -37.011 1.00 0.00 C ATOM 256 CG GLU A 17 3.864 -1.738 -37.101 1.00 0.00 C ATOM 257 CD GLU A 17 4.372 -1.833 -38.524 1.00 0.00 C ATOM 258 OE1 GLU A 17 4.224 -0.855 -39.286 1.00 0.00 O ATOM 259 OE2 GLU A 17 4.924 -2.888 -38.885 1.00 0.00 O ATOM 0 H GLU A 17 2.811 0.440 -36.199 1.00 0.00 H new ATOM 0 HA GLU A 17 1.829 -0.535 -38.663 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.063 -1.930 -35.966 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.009 -2.707 -37.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.202 -0.800 -36.661 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.300 -2.543 -36.510 1.00 0.00 H new ATOM 266 N ASN A 18 -0.325 -0.180 -36.246 1.00 0.00 N ATOM 267 CA ASN A 18 -1.735 -0.256 -35.889 1.00 0.00 C ATOM 268 C ASN A 18 -2.387 1.118 -35.991 1.00 0.00 C ATOM 269 O ASN A 18 -3.550 1.289 -35.637 1.00 0.00 O ATOM 270 CB ASN A 18 -1.902 -0.812 -34.473 1.00 0.00 C ATOM 271 CG ASN A 18 -1.431 -2.253 -34.343 1.00 0.00 C ATOM 272 OD1 ASN A 18 -1.449 -3.017 -35.306 1.00 0.00 O ATOM 273 ND2 ASN A 18 -1.010 -2.631 -33.146 1.00 0.00 N ATOM 0 H ASN A 18 0.255 0.316 -35.569 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.228 -0.930 -36.590 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.344 -0.188 -33.775 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.952 -0.751 -34.186 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.685 -3.586 -32.998 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.011 -1.967 -32.372 1.00 0.00 H new ATOM 280 N GLN A 19 -1.614 2.089 -36.477 1.00 0.00 N ATOM 281 CA GLN A 19 -2.095 3.456 -36.693 1.00 0.00 C ATOM 282 C GLN A 19 -2.609 4.093 -35.399 1.00 0.00 C ATOM 283 O GLN A 19 -3.586 4.844 -35.422 1.00 0.00 O ATOM 284 CB GLN A 19 -3.209 3.491 -37.750 1.00 0.00 C ATOM 285 CG GLN A 19 -2.765 3.210 -39.183 1.00 0.00 C ATOM 286 CD GLN A 19 -2.557 1.736 -39.482 1.00 0.00 C ATOM 287 OE1 GLN A 19 -3.502 1.023 -39.824 1.00 0.00 O ATOM 288 NE2 GLN A 19 -1.320 1.280 -39.415 1.00 0.00 N ATOM 0 H GLN A 19 -0.636 1.951 -36.733 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.241 4.032 -37.048 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.970 2.761 -37.474 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.683 4.472 -37.721 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.512 3.609 -39.870 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.836 3.745 -39.377 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.563 1.900 -39.128 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.121 0.308 -39.651 1.00 0.00 H new ATOM 297 N MET A 20 -1.941 3.830 -34.276 1.00 0.00 N ATOM 298 CA MET A 20 -2.395 4.368 -32.994 1.00 0.00 C ATOM 299 C MET A 20 -1.275 4.362 -31.960 1.00 0.00 C ATOM 300 O MET A 20 -0.182 3.855 -32.211 1.00 0.00 O ATOM 301 CB MET A 20 -3.590 3.569 -32.461 1.00 0.00 C ATOM 302 CG MET A 20 -3.264 2.121 -32.153 1.00 0.00 C ATOM 303 SD MET A 20 -4.655 1.235 -31.421 1.00 0.00 S ATOM 304 CE MET A 20 -3.958 -0.406 -31.255 1.00 0.00 C ATOM 0 H MET A 20 -1.098 3.258 -34.227 1.00 0.00 H new ATOM 0 HA MET A 20 -2.702 5.400 -33.167 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.963 4.049 -31.556 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.395 3.603 -33.195 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.961 1.618 -33.071 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.414 2.081 -31.472 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.436 -0.922 -30.422 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.127 -0.968 -32.174 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.887 -0.329 -31.068 1.00 0.00 H new ATOM 314 N PHE A 21 -1.558 4.932 -30.798 1.00 0.00 N ATOM 315 CA PHE A 21 -0.606 4.949 -29.697 1.00 0.00 C ATOM 316 C PHE A 21 -1.074 4.003 -28.603 1.00 0.00 C ATOM 317 O PHE A 21 -2.269 3.922 -28.313 1.00 0.00 O ATOM 318 CB PHE A 21 -0.457 6.360 -29.124 1.00 0.00 C ATOM 319 CG PHE A 21 -0.062 7.396 -30.139 1.00 0.00 C ATOM 320 CD1 PHE A 21 1.234 7.450 -30.624 1.00 0.00 C ATOM 321 CD2 PHE A 21 -0.987 8.313 -30.609 1.00 0.00 C ATOM 322 CE1 PHE A 21 1.600 8.399 -31.558 1.00 0.00 C ATOM 323 CE2 PHE A 21 -0.625 9.265 -31.543 1.00 0.00 C ATOM 324 CZ PHE A 21 0.670 9.308 -32.019 1.00 0.00 C ATOM 0 H PHE A 21 -2.445 5.392 -30.593 1.00 0.00 H new ATOM 0 HA PHE A 21 0.364 4.626 -30.076 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.401 6.656 -28.667 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.290 6.341 -28.330 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.967 6.742 -30.268 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.002 8.284 -30.242 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.614 8.430 -31.928 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.355 9.976 -31.901 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.954 10.051 -32.750 1.00 0.00 H new ATOM 334 N THR A 22 -0.137 3.289 -28.000 1.00 0.00 N ATOM 335 CA THR A 22 -0.457 2.358 -26.930 1.00 0.00 C ATOM 336 C THR A 22 0.544 2.491 -25.792 1.00 0.00 C ATOM 337 O THR A 22 1.557 3.171 -25.931 1.00 0.00 O ATOM 338 CB THR A 22 -0.471 0.896 -27.434 1.00 0.00 C ATOM 339 OG1 THR A 22 0.768 0.582 -28.091 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.633 0.661 -28.390 1.00 0.00 C ATOM 0 H THR A 22 0.855 3.337 -28.234 1.00 0.00 H new ATOM 0 HA THR A 22 -1.455 2.608 -26.570 1.00 0.00 H new ATOM 0 HB THR A 22 -0.594 0.244 -26.569 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.588 0.034 -28.883 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.621 -0.374 -28.730 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.573 0.863 -27.877 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.538 1.326 -29.248 1.00 0.00 H new ATOM 348 N TYR A 23 0.254 1.868 -24.666 1.00 0.00 N ATOM 349 CA TYR A 23 1.179 1.864 -23.552 1.00 0.00 C ATOM 350 C TYR A 23 1.164 0.495 -22.891 1.00 0.00 C ATOM 351 O TYR A 23 0.111 0.021 -22.467 1.00 0.00 O ATOM 352 CB TYR A 23 0.817 2.956 -22.542 1.00 0.00 C ATOM 353 CG TYR A 23 2.004 3.463 -21.755 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.026 4.151 -22.394 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.105 3.260 -20.386 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.117 4.620 -21.694 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.195 3.727 -19.675 1.00 0.00 C ATOM 358 CZ TYR A 23 4.200 4.406 -20.336 1.00 0.00 C ATOM 359 OH TYR A 23 5.288 4.878 -19.637 1.00 0.00 O ATOM 0 H TYR A 23 -0.614 1.359 -24.500 1.00 0.00 H new ATOM 0 HA TYR A 23 2.183 2.073 -23.921 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.357 3.791 -23.070 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.071 2.567 -21.849 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.965 4.322 -23.459 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.320 2.729 -19.868 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.903 5.153 -22.208 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.260 3.562 -18.610 1.00 0.00 H new ATOM 0 HH TYR A 23 5.702 5.614 -20.135 1.00 0.00 H new ATOM 369 N PRO A 24 2.325 -0.173 -22.854 1.00 0.00 N ATOM 370 CA PRO A 24 2.468 -1.508 -22.262 1.00 0.00 C ATOM 371 C PRO A 24 1.941 -1.585 -20.832 1.00 0.00 C ATOM 372 O PRO A 24 2.454 -0.924 -19.928 1.00 0.00 O ATOM 373 CB PRO A 24 3.977 -1.754 -22.287 1.00 0.00 C ATOM 374 CG PRO A 24 4.485 -0.891 -23.388 1.00 0.00 C ATOM 375 CD PRO A 24 3.595 0.319 -23.409 1.00 0.00 C ATOM 0 HA PRO A 24 1.890 -2.250 -22.812 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.436 -1.491 -21.334 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.204 -2.804 -22.471 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.524 -0.609 -23.215 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.452 -1.416 -24.343 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.007 1.130 -22.808 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.467 0.705 -24.420 1.00 0.00 H new ATOM 383 N CYS A 25 0.910 -2.394 -20.652 1.00 0.00 N ATOM 384 CA CYS A 25 0.305 -2.613 -19.351 1.00 0.00 C ATOM 385 C CYS A 25 0.169 -4.105 -19.102 1.00 0.00 C ATOM 386 O CYS A 25 -0.136 -4.870 -20.023 1.00 0.00 O ATOM 387 CB CYS A 25 -1.069 -1.939 -19.293 1.00 0.00 C ATOM 388 SG CYS A 25 -2.048 -2.305 -17.795 1.00 0.00 S ATOM 0 H CYS A 25 0.469 -2.918 -21.407 1.00 0.00 H new ATOM 0 HA CYS A 25 0.939 -2.178 -18.578 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.931 -0.860 -19.363 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.644 -2.244 -20.167 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.857 -3.294 -18.036 1.00 0.00 H new ATOM 393 N PRO A 26 0.452 -4.557 -17.876 1.00 0.00 N ATOM 394 CA PRO A 26 0.247 -5.935 -17.502 1.00 0.00 C ATOM 395 C PRO A 26 -1.138 -6.157 -16.898 1.00 0.00 C ATOM 396 O PRO A 26 -1.455 -5.638 -15.827 1.00 0.00 O ATOM 397 CB PRO A 26 1.342 -6.163 -16.457 1.00 0.00 C ATOM 398 CG PRO A 26 1.659 -4.807 -15.888 1.00 0.00 C ATOM 399 CD PRO A 26 1.001 -3.769 -16.770 1.00 0.00 C ATOM 0 HA PRO A 26 0.298 -6.619 -18.349 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.001 -6.844 -15.677 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.226 -6.613 -16.909 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.292 -4.727 -14.865 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.737 -4.650 -15.853 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.220 -3.227 -16.237 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.719 -3.029 -17.123 1.00 0.00 H new ATOM 407 N CYS A 27 -1.923 -6.987 -17.570 1.00 0.00 N ATOM 408 CA CYS A 27 -3.288 -7.287 -17.159 1.00 0.00 C ATOM 409 C CYS A 27 -3.902 -8.246 -18.166 1.00 0.00 C ATOM 410 O CYS A 27 -4.567 -9.222 -17.811 1.00 0.00 O ATOM 411 CB CYS A 27 -4.136 -6.005 -17.082 1.00 0.00 C ATOM 412 SG CYS A 27 -4.396 -5.174 -18.688 1.00 0.00 S ATOM 0 H CYS A 27 -1.631 -7.473 -18.418 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.268 -7.739 -16.167 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.107 -6.252 -16.653 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.654 -5.306 -16.399 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.912 -3.997 -18.489 1.00 0.00 H new ATOM 417 N GLY A 28 -3.656 -7.943 -19.431 1.00 0.00 N ATOM 418 CA GLY A 28 -4.145 -8.750 -20.523 1.00 0.00 C ATOM 419 C GLY A 28 -4.115 -7.978 -21.823 1.00 0.00 C ATOM 420 O GLY A 28 -4.042 -8.563 -22.901 1.00 0.00 O ATOM 0 H GLY A 28 -3.112 -7.131 -19.723 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.537 -9.650 -20.616 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.164 -9.075 -20.312 1.00 0.00 H new ATOM 424 N ASP A 29 -4.178 -6.657 -21.715 1.00 0.00 N ATOM 425 CA ASP A 29 -4.135 -5.784 -22.876 1.00 0.00 C ATOM 426 C ASP A 29 -3.336 -4.533 -22.526 1.00 0.00 C ATOM 427 O ASP A 29 -2.877 -4.395 -21.397 1.00 0.00 O ATOM 428 CB ASP A 29 -5.547 -5.410 -23.336 1.00 0.00 C ATOM 429 CG ASP A 29 -5.648 -5.234 -24.844 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.849 -4.469 -25.425 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.532 -5.874 -25.457 1.00 0.00 O ATOM 0 H ASP A 29 -4.260 -6.165 -20.825 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.651 -6.309 -23.700 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.245 -6.184 -23.017 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.851 -4.485 -22.846 1.00 0.00 H new ATOM 436 N ARG A 30 -3.122 -3.665 -23.499 1.00 0.00 N ATOM 437 CA ARG A 30 -2.348 -2.449 -23.284 1.00 0.00 C ATOM 438 C ARG A 30 -3.220 -1.207 -23.444 1.00 0.00 C ATOM 439 O ARG A 30 -4.241 -1.242 -24.134 1.00 0.00 O ATOM 440 CB ARG A 30 -1.183 -2.390 -24.271 1.00 0.00 C ATOM 441 CG ARG A 30 -1.596 -2.657 -25.710 1.00 0.00 C ATOM 442 CD ARG A 30 -0.423 -2.513 -26.658 1.00 0.00 C ATOM 443 NE ARG A 30 0.710 -3.344 -26.263 1.00 0.00 N ATOM 444 CZ ARG A 30 1.946 -3.172 -26.723 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.208 -2.185 -27.572 1.00 0.00 N ATOM 446 NH2 ARG A 30 2.915 -3.979 -26.315 1.00 0.00 N ATOM 0 H ARG A 30 -3.474 -3.778 -24.450 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.962 -2.470 -22.265 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.716 -1.407 -24.211 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.429 -3.120 -23.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.010 -3.662 -25.791 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.386 -1.963 -25.998 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.737 -2.785 -27.666 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.111 -1.469 -26.692 1.00 0.00 H new ATOM 0 HE ARG A 30 0.545 -4.099 -25.597 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.461 -1.558 -27.872 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.156 -2.054 -27.924 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.711 -4.727 -25.652 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.865 -3.852 -26.664 1.00 0.00 H new ATOM 460 N PHE A 31 -2.801 -0.114 -22.804 1.00 0.00 N ATOM 461 CA PHE A 31 -3.482 1.170 -22.945 1.00 0.00 C ATOM 462 C PHE A 31 -3.586 1.549 -24.412 1.00 0.00 C ATOM 463 O PHE A 31 -2.586 1.549 -25.129 1.00 0.00 O ATOM 464 CB PHE A 31 -2.728 2.278 -22.199 1.00 0.00 C ATOM 465 CG PHE A 31 -2.762 2.159 -20.699 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.812 2.699 -19.975 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.740 1.518 -20.016 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.843 2.598 -18.597 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.766 1.419 -18.638 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.820 1.959 -17.929 1.00 0.00 C ATOM 0 H PHE A 31 -1.992 -0.094 -22.183 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.479 1.066 -22.516 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.689 2.276 -22.527 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.150 3.242 -22.484 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.614 3.204 -20.492 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.915 1.091 -20.567 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.669 3.020 -18.043 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.963 0.920 -18.116 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.843 1.881 -16.852 1.00 0.00 H new ATOM 480 N GLN A 32 -4.786 1.865 -24.857 1.00 0.00 N ATOM 481 CA GLN A 32 -5.003 2.202 -26.250 1.00 0.00 C ATOM 482 C GLN A 32 -5.662 3.574 -26.372 1.00 0.00 C ATOM 483 O GLN A 32 -6.552 3.925 -25.593 1.00 0.00 O ATOM 484 CB GLN A 32 -5.851 1.116 -26.927 1.00 0.00 C ATOM 485 CG GLN A 32 -7.292 1.054 -26.445 1.00 0.00 C ATOM 486 CD GLN A 32 -8.001 -0.230 -26.845 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.306 -1.354 -26.750 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -9.185 -0.215 -27.178 1.00 0.00 N flip ATOM 0 H GLN A 32 -5.624 1.896 -24.276 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.040 2.250 -26.758 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.848 1.288 -28.003 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.382 0.147 -26.757 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.310 1.149 -25.359 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.840 1.905 -26.848 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.686 0.671 -27.240 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.666 -1.089 -27.392 1.00 0.00 H new ATOM 497 N ILE A 33 -5.190 4.360 -27.328 1.00 0.00 N ATOM 498 CA ILE A 33 -5.752 5.678 -27.584 1.00 0.00 C ATOM 499 C ILE A 33 -5.807 5.930 -29.092 1.00 0.00 C ATOM 500 O ILE A 33 -4.897 5.543 -29.828 1.00 0.00 O ATOM 501 CB ILE A 33 -4.948 6.791 -26.863 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.644 8.147 -27.009 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.523 6.861 -27.386 1.00 0.00 C ATOM 504 CD1 ILE A 33 -4.996 9.252 -26.200 1.00 0.00 C ATOM 0 H ILE A 33 -4.416 4.107 -27.942 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.765 5.705 -27.182 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.907 6.540 -25.803 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.648 8.433 -28.061 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.685 8.046 -26.702 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.982 7.650 -26.863 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.026 5.906 -27.216 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.538 7.078 -28.454 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.542 10.183 -26.353 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.016 8.988 -25.143 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.963 9.381 -26.522 1.00 0.00 H new ATOM 516 N TYR A 34 -6.887 6.550 -29.545 1.00 0.00 N ATOM 517 CA TYR A 34 -7.136 6.707 -30.974 1.00 0.00 C ATOM 518 C TYR A 34 -6.819 8.127 -31.429 1.00 0.00 C ATOM 519 O TYR A 34 -7.199 9.094 -30.763 1.00 0.00 O ATOM 520 CB TYR A 34 -8.600 6.379 -31.287 1.00 0.00 C ATOM 521 CG TYR A 34 -9.118 5.139 -30.586 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.753 3.864 -31.006 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.979 5.249 -29.500 1.00 0.00 C ATOM 524 CE1 TYR A 34 -9.235 2.736 -30.364 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.462 4.128 -28.853 1.00 0.00 C ATOM 526 CZ TYR A 34 -10.087 2.875 -29.286 1.00 0.00 C ATOM 527 OH TYR A 34 -10.577 1.755 -28.646 1.00 0.00 O ATOM 0 H TYR A 34 -7.606 6.953 -28.945 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.485 6.018 -31.512 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.220 7.229 -31.004 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.710 6.248 -32.363 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.083 3.752 -31.846 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.276 6.229 -29.156 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.946 1.753 -30.704 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.131 4.233 -28.011 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.161 2.029 -27.908 1.00 0.00 H new ATOM 537 N LEU A 35 -6.142 8.247 -32.571 1.00 0.00 N ATOM 538 CA LEU A 35 -5.800 9.552 -33.145 1.00 0.00 C ATOM 539 C LEU A 35 -7.047 10.399 -33.363 1.00 0.00 C ATOM 540 O LEU A 35 -7.016 11.617 -33.191 1.00 0.00 O ATOM 541 CB LEU A 35 -5.069 9.391 -34.487 1.00 0.00 C ATOM 542 CG LEU A 35 -3.537 9.440 -34.441 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.061 10.690 -33.716 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.970 8.189 -33.795 1.00 0.00 C ATOM 0 H LEU A 35 -5.817 7.452 -33.121 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.143 10.052 -32.433 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.367 8.439 -34.926 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.415 10.175 -35.161 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.169 9.481 -35.466 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.971 10.705 -33.694 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.426 11.575 -34.238 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.444 10.687 -32.696 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.882 8.251 -33.776 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.347 8.103 -32.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.274 7.314 -34.369 1.00 0.00 H new ATOM 556 N ASP A 36 -8.140 9.738 -33.731 1.00 0.00 N ATOM 557 CA ASP A 36 -9.409 10.414 -33.994 1.00 0.00 C ATOM 558 C ASP A 36 -9.829 11.268 -32.810 1.00 0.00 C ATOM 559 O ASP A 36 -10.103 12.458 -32.953 1.00 0.00 O ATOM 560 CB ASP A 36 -10.504 9.389 -34.292 1.00 0.00 C ATOM 561 CG ASP A 36 -11.865 10.030 -34.507 1.00 0.00 C ATOM 562 OD1 ASP A 36 -12.599 10.241 -33.514 1.00 0.00 O ATOM 563 OD2 ASP A 36 -12.213 10.310 -35.675 1.00 0.00 O ATOM 0 H ASP A 36 -8.173 8.726 -33.855 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.268 11.060 -34.860 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.231 8.820 -35.180 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.567 8.680 -33.466 1.00 0.00 H new ATOM 568 N ASP A 37 -9.843 10.658 -31.635 1.00 0.00 N ATOM 569 CA ASP A 37 -10.341 11.323 -30.440 1.00 0.00 C ATOM 570 C ASP A 37 -9.320 12.330 -29.923 1.00 0.00 C ATOM 571 O ASP A 37 -9.681 13.352 -29.340 1.00 0.00 O ATOM 572 CB ASP A 37 -10.673 10.291 -29.364 1.00 0.00 C ATOM 573 CG ASP A 37 -11.911 10.666 -28.576 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.999 10.757 -29.188 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.813 10.845 -27.347 1.00 0.00 O ATOM 0 H ASP A 37 -9.516 9.704 -31.483 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.252 11.864 -30.695 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.822 9.317 -29.830 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.827 10.193 -28.684 1.00 0.00 H new ATOM 580 N MET A 38 -8.043 12.049 -30.167 1.00 0.00 N ATOM 581 CA MET A 38 -6.971 12.971 -29.794 1.00 0.00 C ATOM 582 C MET A 38 -7.080 14.254 -30.606 1.00 0.00 C ATOM 583 O MET A 38 -6.885 15.351 -30.087 1.00 0.00 O ATOM 584 CB MET A 38 -5.593 12.337 -30.019 1.00 0.00 C ATOM 585 CG MET A 38 -5.367 11.074 -29.208 1.00 0.00 C ATOM 586 SD MET A 38 -3.714 10.383 -29.426 1.00 0.00 S ATOM 587 CE MET A 38 -2.712 11.642 -28.640 1.00 0.00 C ATOM 0 H MET A 38 -7.724 11.193 -30.620 1.00 0.00 H new ATOM 0 HA MET A 38 -7.078 13.199 -28.733 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.477 12.105 -31.078 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.822 13.064 -29.766 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.527 11.293 -28.152 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.108 10.327 -29.494 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.718 11.243 -28.438 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.629 12.506 -29.300 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.178 11.945 -27.703 1.00 0.00 H new ATOM 597 N PHE A 39 -7.418 14.103 -31.883 1.00 0.00 N ATOM 598 CA PHE A 39 -7.580 15.242 -32.777 1.00 0.00 C ATOM 599 C PHE A 39 -8.823 16.044 -32.397 1.00 0.00 C ATOM 600 O PHE A 39 -8.924 17.233 -32.700 1.00 0.00 O ATOM 601 CB PHE A 39 -7.674 14.765 -34.229 1.00 0.00 C ATOM 602 CG PHE A 39 -7.599 15.879 -35.238 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.389 16.494 -35.517 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.736 16.309 -35.904 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.314 17.517 -36.442 1.00 0.00 C ATOM 606 CE2 PHE A 39 -8.667 17.332 -36.830 1.00 0.00 C ATOM 607 CZ PHE A 39 -7.455 17.937 -37.099 1.00 0.00 C ATOM 0 H PHE A 39 -7.585 13.198 -32.322 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.709 15.890 -32.679 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.868 14.057 -34.422 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.612 14.226 -34.365 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.495 16.170 -35.006 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.686 15.839 -35.697 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.365 17.988 -36.652 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.560 17.658 -37.343 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.399 18.737 -37.822 1.00 0.00 H new ATOM 617 N GLU A 40 -9.761 15.382 -31.727 1.00 0.00 N ATOM 618 CA GLU A 40 -10.967 16.030 -31.235 1.00 0.00 C ATOM 619 C GLU A 40 -10.649 16.913 -30.032 1.00 0.00 C ATOM 620 O GLU A 40 -11.443 17.774 -29.649 1.00 0.00 O ATOM 621 CB GLU A 40 -12.009 14.979 -30.853 1.00 0.00 C ATOM 622 CG GLU A 40 -12.534 14.175 -32.033 1.00 0.00 C ATOM 623 CD GLU A 40 -13.366 15.008 -32.981 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.585 15.127 -32.753 1.00 0.00 O ATOM 625 OE2 GLU A 40 -12.810 15.555 -33.957 1.00 0.00 O ATOM 0 H GLU A 40 -9.705 14.387 -31.512 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.370 16.659 -32.029 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.571 14.295 -30.126 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.847 15.474 -30.361 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.693 13.744 -32.577 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.134 13.344 -31.663 1.00 0.00 H new ATOM 632 N GLY A 41 -9.480 16.700 -29.445 1.00 0.00 N ATOM 633 CA GLY A 41 -9.056 17.502 -28.318 1.00 0.00 C ATOM 634 C GLY A 41 -9.094 16.744 -27.009 1.00 0.00 C ATOM 635 O GLY A 41 -8.570 17.216 -25.998 1.00 0.00 O ATOM 0 H GLY A 41 -8.815 15.982 -29.732 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.042 17.861 -28.495 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.697 18.381 -28.242 1.00 0.00 H new ATOM 639 N GLU A 42 -9.700 15.564 -27.018 1.00 0.00 N ATOM 640 CA GLU A 42 -9.790 14.753 -25.814 1.00 0.00 C ATOM 641 C GLU A 42 -8.640 13.757 -25.760 1.00 0.00 C ATOM 642 O GLU A 42 -8.587 12.803 -26.534 1.00 0.00 O ATOM 643 CB GLU A 42 -11.138 14.031 -25.741 1.00 0.00 C ATOM 644 CG GLU A 42 -12.322 14.982 -25.709 1.00 0.00 C ATOM 645 CD GLU A 42 -13.639 14.292 -25.423 1.00 0.00 C ATOM 646 OE1 GLU A 42 -14.314 13.860 -26.378 1.00 0.00 O ATOM 647 OE2 GLU A 42 -14.020 14.206 -24.236 1.00 0.00 O ATOM 0 H GLU A 42 -10.134 15.150 -27.843 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.717 15.413 -24.949 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.235 13.368 -26.601 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.160 13.403 -24.850 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.147 15.744 -24.949 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.391 15.497 -26.667 1.00 0.00 H new ATOM 654 N LYS A 43 -7.710 13.995 -24.848 1.00 0.00 N ATOM 655 CA LYS A 43 -6.520 13.171 -24.747 1.00 0.00 C ATOM 656 C LYS A 43 -6.554 12.277 -23.506 1.00 0.00 C ATOM 657 O LYS A 43 -6.311 12.715 -22.388 1.00 0.00 O ATOM 658 CB LYS A 43 -5.261 14.053 -24.780 1.00 0.00 C ATOM 659 CG LYS A 43 -5.397 15.399 -24.060 1.00 0.00 C ATOM 660 CD LYS A 43 -5.157 15.290 -22.562 1.00 0.00 C ATOM 661 CE LYS A 43 -5.415 16.611 -21.858 1.00 0.00 C ATOM 662 NZ LYS A 43 -5.235 16.501 -20.387 1.00 0.00 N ATOM 0 H LYS A 43 -7.758 14.753 -24.168 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.492 12.504 -25.609 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.436 13.500 -24.332 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.993 14.239 -25.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.688 16.108 -24.487 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.395 15.801 -24.236 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.806 14.521 -22.144 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.130 14.974 -22.379 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.738 17.370 -22.251 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.429 16.946 -22.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.387 17.431 -19.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.922 15.821 -20.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.270 16.174 -20.179 1.00 0.00 H new ATOM 676 N VAL A 44 -6.863 11.013 -23.724 1.00 0.00 N ATOM 677 CA VAL A 44 -6.926 10.036 -22.648 1.00 0.00 C ATOM 678 C VAL A 44 -6.921 8.619 -23.219 1.00 0.00 C ATOM 679 O VAL A 44 -7.680 8.300 -24.135 1.00 0.00 O ATOM 680 CB VAL A 44 -8.173 10.258 -21.748 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.414 10.477 -22.592 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.377 9.090 -20.792 1.00 0.00 C ATOM 0 H VAL A 44 -7.077 10.633 -24.646 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.042 10.168 -22.024 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.998 11.154 -21.153 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.275 10.630 -21.941 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.275 11.355 -23.222 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.586 9.603 -23.220 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.257 9.274 -20.175 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.520 8.173 -21.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.501 8.986 -20.152 1.00 0.00 H new ATOM 692 N ALA A 45 -6.034 7.786 -22.695 1.00 0.00 N ATOM 693 CA ALA A 45 -5.921 6.409 -23.139 1.00 0.00 C ATOM 694 C ALA A 45 -6.608 5.484 -22.152 1.00 0.00 C ATOM 695 O ALA A 45 -6.579 5.719 -20.941 1.00 0.00 O ATOM 696 CB ALA A 45 -4.459 6.023 -23.314 1.00 0.00 C ATOM 0 H ALA A 45 -5.379 8.044 -21.957 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.415 6.311 -24.106 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.394 4.987 -23.647 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.997 6.673 -24.057 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.938 6.132 -22.363 1.00 0.00 H new ATOM 702 N VAL A 46 -7.236 4.447 -22.673 1.00 0.00 N ATOM 703 CA VAL A 46 -7.922 3.477 -21.845 1.00 0.00 C ATOM 704 C VAL A 46 -7.325 2.105 -22.055 1.00 0.00 C ATOM 705 O VAL A 46 -6.979 1.737 -23.179 1.00 0.00 O ATOM 706 CB VAL A 46 -9.436 3.428 -22.148 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.700 3.112 -23.614 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.147 2.424 -21.245 1.00 0.00 C ATOM 0 H VAL A 46 -7.284 4.255 -23.674 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.795 3.786 -20.807 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.841 4.418 -21.940 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.775 3.085 -23.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.247 3.882 -24.239 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.267 2.143 -23.861 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.211 2.412 -21.481 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.728 1.430 -21.405 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.010 2.712 -20.203 1.00 0.00 H new ATOM 718 N CYS A 47 -7.174 1.363 -20.980 1.00 0.00 N ATOM 719 CA CYS A 47 -6.704 0.007 -21.090 1.00 0.00 C ATOM 720 C CYS A 47 -7.838 -0.968 -20.819 1.00 0.00 C ATOM 721 O CYS A 47 -8.503 -0.894 -19.785 1.00 0.00 O ATOM 722 CB CYS A 47 -5.542 -0.263 -20.134 1.00 0.00 C ATOM 723 SG CYS A 47 -4.669 -1.828 -20.465 1.00 0.00 S ATOM 0 H CYS A 47 -7.369 1.676 -20.029 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.342 -0.136 -22.108 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.831 0.560 -20.199 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.920 -0.277 -19.112 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.529 -2.801 -20.520 1.00 0.00 H new ATOM 728 N PRO A 48 -8.099 -1.866 -21.770 1.00 0.00 N ATOM 729 CA PRO A 48 -9.056 -2.946 -21.591 1.00 0.00 C ATOM 730 C PRO A 48 -8.486 -4.039 -20.692 1.00 0.00 C ATOM 731 O PRO A 48 -7.273 -4.141 -20.540 1.00 0.00 O ATOM 732 CB PRO A 48 -9.286 -3.459 -23.013 1.00 0.00 C ATOM 733 CG PRO A 48 -8.036 -3.128 -23.748 1.00 0.00 C ATOM 734 CD PRO A 48 -7.464 -1.895 -23.099 1.00 0.00 C ATOM 0 HA PRO A 48 -9.977 -2.623 -21.106 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.475 -4.532 -23.020 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.152 -2.980 -23.470 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.328 -3.955 -23.698 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.244 -2.949 -24.803 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.378 -1.952 -23.022 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.696 -0.998 -23.672 1.00 0.00 H new ATOM 742 N SER A 49 -9.378 -4.814 -20.072 1.00 0.00 N ATOM 743 CA SER A 49 -9.015 -5.921 -19.176 1.00 0.00 C ATOM 744 C SER A 49 -8.855 -5.429 -17.739 1.00 0.00 C ATOM 745 O SER A 49 -9.540 -5.917 -16.837 1.00 0.00 O ATOM 746 CB SER A 49 -7.757 -6.669 -19.651 1.00 0.00 C ATOM 747 OG SER A 49 -7.376 -7.684 -18.737 1.00 0.00 O ATOM 0 H SER A 49 -10.385 -4.692 -20.177 1.00 0.00 H new ATOM 0 HA SER A 49 -9.836 -6.637 -19.203 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.944 -7.111 -20.629 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.937 -5.962 -19.773 1.00 0.00 H new ATOM 0 HG SER A 49 -6.936 -8.413 -19.222 1.00 0.00 H new ATOM 753 N CYS A 50 -7.971 -4.463 -17.514 1.00 0.00 N ATOM 754 CA CYS A 50 -7.816 -3.897 -16.178 1.00 0.00 C ATOM 755 C CYS A 50 -8.732 -2.687 -16.022 1.00 0.00 C ATOM 756 O CYS A 50 -9.202 -2.384 -14.923 1.00 0.00 O ATOM 757 CB CYS A 50 -6.359 -3.511 -15.898 1.00 0.00 C ATOM 758 SG CYS A 50 -5.744 -2.103 -16.877 1.00 0.00 S ATOM 0 H CYS A 50 -7.360 -4.061 -18.225 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.098 -4.657 -15.449 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.258 -3.272 -14.839 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.724 -4.376 -16.092 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.480 -2.271 -17.132 1.00 0.00 H new ATOM 763 N SER A 51 -8.990 -2.023 -17.144 1.00 0.00 N ATOM 764 CA SER A 51 -9.879 -0.869 -17.202 1.00 0.00 C ATOM 765 C SER A 51 -9.300 0.324 -16.440 1.00 0.00 C ATOM 766 O SER A 51 -9.798 0.704 -15.377 1.00 0.00 O ATOM 767 CB SER A 51 -11.280 -1.223 -16.685 1.00 0.00 C ATOM 768 OG SER A 51 -12.169 -0.125 -16.813 1.00 0.00 O ATOM 0 H SER A 51 -8.584 -2.273 -18.046 1.00 0.00 H new ATOM 0 HA SER A 51 -9.969 -0.579 -18.249 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.670 -2.076 -17.240 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.219 -1.524 -15.639 1.00 0.00 H new ATOM 0 HG SER A 51 -13.054 -0.380 -16.477 1.00 0.00 H new ATOM 774 N LEU A 52 -8.240 0.908 -16.986 1.00 0.00 N ATOM 775 CA LEU A 52 -7.660 2.111 -16.424 1.00 0.00 C ATOM 776 C LEU A 52 -7.584 3.185 -17.496 1.00 0.00 C ATOM 777 O LEU A 52 -7.485 2.886 -18.684 1.00 0.00 O ATOM 778 CB LEU A 52 -6.269 1.836 -15.844 1.00 0.00 C ATOM 779 CG LEU A 52 -5.607 3.032 -15.153 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.413 3.465 -13.937 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.177 2.701 -14.755 1.00 0.00 C ATOM 0 H LEU A 52 -7.767 0.562 -17.821 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.296 2.456 -15.609 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.346 1.019 -15.127 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.618 1.494 -16.648 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.582 3.861 -15.861 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.925 4.316 -13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.417 3.751 -14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.475 2.639 -13.228 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.726 3.565 -14.266 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.177 1.854 -14.069 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.601 2.446 -15.645 1.00 0.00 H new ATOM 793 N MET A 53 -7.651 4.430 -17.069 1.00 0.00 N ATOM 794 CA MET A 53 -7.627 5.563 -17.983 1.00 0.00 C ATOM 795 C MET A 53 -6.671 6.630 -17.478 1.00 0.00 C ATOM 796 O MET A 53 -6.635 6.919 -16.281 1.00 0.00 O ATOM 797 CB MET A 53 -9.026 6.163 -18.121 1.00 0.00 C ATOM 798 CG MET A 53 -10.050 5.193 -18.678 1.00 0.00 C ATOM 799 SD MET A 53 -11.748 5.735 -18.404 1.00 0.00 S ATOM 800 CE MET A 53 -11.775 5.819 -16.614 1.00 0.00 C ATOM 0 H MET A 53 -7.723 4.688 -16.085 1.00 0.00 H new ATOM 0 HA MET A 53 -7.289 5.209 -18.957 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.361 6.511 -17.144 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.975 7.037 -18.770 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.881 5.068 -19.748 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.907 4.216 -18.217 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.783 5.610 -16.255 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.084 5.082 -16.205 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.474 6.816 -16.292 1.00 0.00 H new ATOM 810 N ILE A 54 -5.901 7.210 -18.389 1.00 0.00 N ATOM 811 CA ILE A 54 -4.977 8.286 -18.044 1.00 0.00 C ATOM 812 C ILE A 54 -4.941 9.318 -19.166 1.00 0.00 C ATOM 813 O ILE A 54 -5.225 8.995 -20.320 1.00 0.00 O ATOM 814 CB ILE A 54 -3.524 7.789 -17.774 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.778 7.466 -19.079 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.520 6.579 -16.846 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.369 6.336 -19.884 1.00 0.00 C ATOM 0 H ILE A 54 -5.897 6.953 -19.376 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.350 8.725 -17.119 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.995 8.605 -17.282 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.756 8.362 -19.699 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.744 7.219 -18.838 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.493 6.254 -16.676 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.978 6.849 -15.894 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.086 5.768 -17.304 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.776 6.182 -20.785 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.366 5.424 -19.287 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.393 6.584 -20.162 1.00 0.00 H new ATOM 829 N ASP A 55 -4.599 10.550 -18.825 1.00 0.00 N ATOM 830 CA ASP A 55 -4.484 11.614 -19.817 1.00 0.00 C ATOM 831 C ASP A 55 -3.179 11.475 -20.598 1.00 0.00 C ATOM 832 O ASP A 55 -2.228 10.845 -20.130 1.00 0.00 O ATOM 833 CB ASP A 55 -4.517 12.991 -19.148 1.00 0.00 C ATOM 834 CG ASP A 55 -5.913 13.478 -18.806 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.421 13.139 -17.720 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.488 14.246 -19.606 1.00 0.00 O ATOM 0 H ASP A 55 -4.395 10.841 -17.869 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.331 11.525 -20.497 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.922 12.954 -18.235 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.042 13.716 -19.809 1.00 0.00 H new ATOM 841 N VAL A 56 -3.133 12.062 -21.785 1.00 0.00 N ATOM 842 CA VAL A 56 -1.926 12.036 -22.610 1.00 0.00 C ATOM 843 C VAL A 56 -1.599 13.429 -23.153 1.00 0.00 C ATOM 844 O VAL A 56 -2.430 14.066 -23.792 1.00 0.00 O ATOM 845 CB VAL A 56 -2.068 11.050 -23.793 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.822 11.080 -24.675 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.333 9.636 -23.296 1.00 0.00 C ATOM 0 H VAL A 56 -3.917 12.564 -22.202 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.112 11.700 -21.967 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.922 11.367 -24.391 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.944 10.379 -25.501 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.680 12.086 -25.071 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.049 10.797 -24.084 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.429 8.963 -24.148 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.504 9.310 -22.667 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.256 9.621 -22.716 1.00 0.00 H new ATOM 857 N VAL A 57 -0.381 13.890 -22.898 1.00 0.00 N ATOM 858 CA VAL A 57 0.079 15.186 -23.399 1.00 0.00 C ATOM 859 C VAL A 57 0.452 15.075 -24.875 1.00 0.00 C ATOM 860 O VAL A 57 1.259 14.228 -25.249 1.00 0.00 O ATOM 861 CB VAL A 57 1.305 15.698 -22.605 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.794 17.031 -23.150 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.978 15.807 -21.127 1.00 0.00 C ATOM 0 H VAL A 57 0.312 13.385 -22.345 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.738 15.896 -23.273 1.00 0.00 H new ATOM 0 HB VAL A 57 2.110 14.973 -22.725 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.656 17.366 -22.573 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.081 16.914 -24.195 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.996 17.770 -23.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.853 16.169 -20.587 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.152 16.504 -20.988 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.694 14.827 -20.744 1.00 0.00 H new ATOM 873 N PHE A 58 -0.119 15.933 -25.711 1.00 0.00 N ATOM 874 CA PHE A 58 0.097 15.837 -27.150 1.00 0.00 C ATOM 875 C PHE A 58 0.193 17.223 -27.787 1.00 0.00 C ATOM 876 O PHE A 58 -0.172 18.225 -27.171 1.00 0.00 O ATOM 877 CB PHE A 58 -1.044 15.052 -27.808 1.00 0.00 C ATOM 878 CG PHE A 58 -2.326 15.833 -27.933 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.106 16.103 -26.821 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.746 16.302 -29.166 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.281 16.825 -26.941 1.00 0.00 C ATOM 882 CE2 PHE A 58 -3.916 17.021 -29.292 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.686 17.283 -28.178 1.00 0.00 C ATOM 0 H PHE A 58 -0.730 16.697 -25.422 1.00 0.00 H new ATOM 0 HA PHE A 58 1.040 15.313 -27.310 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.727 14.731 -28.800 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.234 14.150 -27.227 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.794 15.747 -25.850 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.148 16.102 -30.043 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.881 17.030 -26.066 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.229 17.379 -30.262 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.603 17.845 -28.274 1.00 0.00 H new ATOM 893 N ASP A 59 0.688 17.266 -29.019 1.00 0.00 N ATOM 894 CA ASP A 59 0.663 18.485 -29.813 1.00 0.00 C ATOM 895 C ASP A 59 0.139 18.169 -31.200 1.00 0.00 C ATOM 896 O ASP A 59 0.298 17.051 -31.687 1.00 0.00 O ATOM 897 CB ASP A 59 2.050 19.109 -29.947 1.00 0.00 C ATOM 898 CG ASP A 59 1.981 20.556 -30.395 1.00 0.00 C ATOM 899 OD1 ASP A 59 1.811 20.806 -31.606 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.070 21.455 -29.533 1.00 0.00 O ATOM 0 H ASP A 59 1.113 16.467 -29.489 1.00 0.00 H new ATOM 0 HA ASP A 59 0.015 19.197 -29.302 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.568 19.050 -28.990 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.638 18.535 -30.663 1.00 0.00 H new ATOM 905 N LYS A 60 -0.477 19.155 -31.828 1.00 0.00 N ATOM 906 CA LYS A 60 -0.996 19.005 -33.179 1.00 0.00 C ATOM 907 C LYS A 60 0.131 18.747 -34.173 1.00 0.00 C ATOM 908 O LYS A 60 -0.048 18.015 -35.148 1.00 0.00 O ATOM 909 CB LYS A 60 -1.785 20.252 -33.570 1.00 0.00 C ATOM 910 CG LYS A 60 -3.069 20.411 -32.775 1.00 0.00 C ATOM 911 CD LYS A 60 -3.707 21.775 -32.973 1.00 0.00 C ATOM 912 CE LYS A 60 -4.945 21.922 -32.108 1.00 0.00 C ATOM 913 NZ LYS A 60 -5.473 23.312 -32.110 1.00 0.00 N ATOM 0 H LYS A 60 -0.632 20.077 -31.420 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.662 18.142 -33.203 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.160 21.133 -33.422 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.024 20.206 -34.632 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.775 19.636 -33.072 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.858 20.262 -31.716 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.989 22.557 -32.724 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.973 21.908 -34.022 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.718 21.242 -32.465 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.708 21.627 -31.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.318 23.363 -31.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.746 23.960 -31.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.725 23.586 -33.081 1.00 0.00 H new ATOM 927 N GLU A 61 1.291 19.337 -33.906 1.00 0.00 N ATOM 928 CA GLU A 61 2.475 19.118 -34.731 1.00 0.00 C ATOM 929 C GLU A 61 2.929 17.670 -34.621 1.00 0.00 C ATOM 930 O GLU A 61 3.143 17.002 -35.634 1.00 0.00 O ATOM 931 CB GLU A 61 3.616 20.055 -34.316 1.00 0.00 C ATOM 932 CG GLU A 61 3.287 21.535 -34.453 1.00 0.00 C ATOM 933 CD GLU A 61 3.043 21.965 -35.886 1.00 0.00 C ATOM 934 OE1 GLU A 61 4.024 22.087 -36.651 1.00 0.00 O ATOM 935 OE2 GLU A 61 1.875 22.214 -36.249 1.00 0.00 O ATOM 0 H GLU A 61 1.437 19.973 -33.122 1.00 0.00 H new ATOM 0 HA GLU A 61 2.211 19.335 -35.766 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.883 19.848 -33.280 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.494 19.831 -34.922 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.402 21.760 -33.858 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.107 22.122 -34.039 1.00 0.00 H new ATOM 942 N ASP A 62 3.052 17.178 -33.389 1.00 0.00 N ATOM 943 CA ASP A 62 3.437 15.789 -33.174 1.00 0.00 C ATOM 944 C ASP A 62 2.412 14.858 -33.808 1.00 0.00 C ATOM 945 O ASP A 62 2.772 13.848 -34.412 1.00 0.00 O ATOM 946 CB ASP A 62 3.587 15.475 -31.681 1.00 0.00 C ATOM 947 CG ASP A 62 4.770 16.186 -31.044 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.908 15.668 -31.126 1.00 0.00 O ATOM 949 OD2 ASP A 62 4.566 17.265 -30.455 1.00 0.00 O ATOM 0 H ASP A 62 2.892 17.714 -32.536 1.00 0.00 H new ATOM 0 HA ASP A 62 4.406 15.631 -33.647 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.673 15.762 -31.161 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.703 14.399 -31.551 1.00 0.00 H new ATOM 954 N LEU A 63 1.134 15.214 -33.690 1.00 0.00 N ATOM 955 CA LEU A 63 0.070 14.437 -34.312 1.00 0.00 C ATOM 956 C LEU A 63 0.280 14.342 -35.817 1.00 0.00 C ATOM 957 O LEU A 63 0.379 13.248 -36.365 1.00 0.00 O ATOM 958 CB LEU A 63 -1.303 15.053 -34.041 1.00 0.00 C ATOM 959 CG LEU A 63 -1.772 15.026 -32.588 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.211 15.508 -32.495 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.636 13.629 -32.005 1.00 0.00 C ATOM 0 H LEU A 63 0.814 16.032 -33.171 1.00 0.00 H new ATOM 0 HA LEU A 63 0.104 13.440 -33.873 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.288 16.089 -34.378 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.041 14.531 -34.650 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.141 15.697 -32.006 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.536 15.485 -31.455 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.278 16.528 -32.874 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.852 14.857 -33.090 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.976 13.632 -30.969 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.243 12.933 -32.584 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.592 13.319 -32.043 1.00 0.00 H new ATOM 973 N ALA A 64 0.364 15.496 -36.474 1.00 0.00 N ATOM 974 CA ALA A 64 0.486 15.553 -37.929 1.00 0.00 C ATOM 975 C ALA A 64 1.695 14.761 -38.414 1.00 0.00 C ATOM 976 O ALA A 64 1.623 14.046 -39.415 1.00 0.00 O ATOM 977 CB ALA A 64 0.578 16.999 -38.394 1.00 0.00 C ATOM 0 H ALA A 64 0.350 16.409 -36.019 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.406 15.099 -38.360 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.669 17.027 -39.480 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.320 17.537 -38.091 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.452 17.471 -37.945 1.00 0.00 H new ATOM 983 N GLU A 65 2.794 14.878 -37.684 1.00 0.00 N ATOM 984 CA GLU A 65 4.012 14.173 -38.013 1.00 0.00 C ATOM 985 C GLU A 65 3.841 12.657 -37.859 1.00 0.00 C ATOM 986 O GLU A 65 4.363 11.878 -38.660 1.00 0.00 O ATOM 987 CB GLU A 65 5.143 14.696 -37.129 1.00 0.00 C ATOM 988 CG GLU A 65 5.674 16.056 -37.554 1.00 0.00 C ATOM 989 CD GLU A 65 6.933 16.449 -36.809 1.00 0.00 C ATOM 990 OE1 GLU A 65 6.835 16.898 -35.648 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.033 16.308 -37.384 1.00 0.00 O ATOM 0 H GLU A 65 2.861 15.463 -36.851 1.00 0.00 H new ATOM 0 HA GLU A 65 4.259 14.356 -39.059 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.788 14.760 -36.100 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.962 13.977 -37.139 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.879 16.044 -38.625 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.906 16.811 -37.385 1.00 0.00 H new ATOM 998 N TYR A 66 3.094 12.240 -36.842 1.00 0.00 N ATOM 999 CA TYR A 66 2.845 10.823 -36.611 1.00 0.00 C ATOM 1000 C TYR A 66 1.785 10.267 -37.561 1.00 0.00 C ATOM 1001 O TYR A 66 1.858 9.105 -37.948 1.00 0.00 O ATOM 1002 CB TYR A 66 2.467 10.559 -35.152 1.00 0.00 C ATOM 1003 CG TYR A 66 3.676 10.351 -34.268 1.00 0.00 C ATOM 1004 CD1 TYR A 66 4.369 9.149 -34.297 1.00 0.00 C ATOM 1005 CD2 TYR A 66 4.132 11.351 -33.417 1.00 0.00 C ATOM 1006 CE1 TYR A 66 5.480 8.946 -33.505 1.00 0.00 C ATOM 1007 CE2 TYR A 66 5.244 11.154 -32.619 1.00 0.00 C ATOM 1008 CZ TYR A 66 5.914 9.949 -32.669 1.00 0.00 C ATOM 1009 OH TYR A 66 7.024 9.749 -31.882 1.00 0.00 O ATOM 0 H TYR A 66 2.651 12.863 -36.166 1.00 0.00 H new ATOM 0 HA TYR A 66 3.776 10.296 -36.821 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.885 11.399 -34.773 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.827 9.678 -35.100 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.032 8.358 -34.951 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.610 12.296 -33.378 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.007 8.004 -33.541 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.586 11.939 -31.961 1.00 0.00 H new ATOM 0 HH TYR A 66 7.012 8.836 -31.525 1.00 0.00 H new ATOM 1019 N TYR A 67 0.797 11.086 -37.919 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.181 10.713 -38.939 1.00 0.00 C ATOM 1021 C TYR A 67 0.522 10.226 -40.206 1.00 0.00 C ATOM 1022 O TYR A 67 0.148 9.204 -40.784 1.00 0.00 O ATOM 1023 CB TYR A 67 -1.083 11.904 -39.288 1.00 0.00 C ATOM 1024 CG TYR A 67 -2.319 12.037 -38.423 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -3.431 11.238 -38.646 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -2.379 12.965 -37.393 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -4.567 11.356 -37.868 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -3.509 13.091 -36.611 1.00 0.00 C ATOM 1029 CZ TYR A 67 -4.600 12.284 -36.850 1.00 0.00 C ATOM 1030 OH TYR A 67 -5.728 12.406 -36.072 1.00 0.00 O ATOM 0 H TYR A 67 0.653 12.012 -37.517 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.793 9.907 -38.534 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.499 12.821 -39.207 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.393 11.815 -40.329 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.408 10.510 -39.443 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.527 13.600 -37.200 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.423 10.725 -38.057 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.538 13.820 -35.814 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.477 12.382 -35.125 1.00 0.00 H new ATOM 1040 N GLU A 68 1.553 10.963 -40.615 1.00 0.00 N ATOM 1041 CA GLU A 68 2.348 10.609 -41.786 1.00 0.00 C ATOM 1042 C GLU A 68 3.054 9.268 -41.574 1.00 0.00 C ATOM 1043 O GLU A 68 3.043 8.399 -42.447 1.00 0.00 O ATOM 1044 CB GLU A 68 3.383 11.703 -42.051 1.00 0.00 C ATOM 1045 CG GLU A 68 4.203 11.484 -43.310 1.00 0.00 C ATOM 1046 CD GLU A 68 5.323 12.491 -43.444 1.00 0.00 C ATOM 1047 OE1 GLU A 68 5.036 13.675 -43.716 1.00 0.00 O ATOM 1048 OE2 GLU A 68 6.498 12.112 -43.260 1.00 0.00 O ATOM 0 H GLU A 68 1.858 11.816 -40.147 1.00 0.00 H new ATOM 0 HA GLU A 68 1.684 10.518 -42.645 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.872 12.663 -42.125 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.057 11.766 -41.197 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.621 10.477 -43.299 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.552 11.549 -44.182 1.00 0.00 H new ATOM 1055 N GLU A 69 3.651 9.113 -40.399 1.00 0.00 N ATOM 1056 CA GLU A 69 4.410 7.911 -40.064 1.00 0.00 C ATOM 1057 C GLU A 69 3.509 6.680 -39.961 1.00 0.00 C ATOM 1058 O GLU A 69 3.870 5.600 -40.422 1.00 0.00 O ATOM 1059 CB GLU A 69 5.163 8.121 -38.747 1.00 0.00 C ATOM 1060 CG GLU A 69 6.238 9.190 -38.829 1.00 0.00 C ATOM 1061 CD GLU A 69 7.396 8.789 -39.720 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.249 8.836 -40.959 1.00 0.00 O ATOM 1063 OE2 GLU A 69 8.464 8.432 -39.179 1.00 0.00 O ATOM 0 H GLU A 69 3.624 9.810 -39.655 1.00 0.00 H new ATOM 0 HA GLU A 69 5.122 7.732 -40.869 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.450 8.393 -37.969 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.621 7.179 -38.445 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.798 10.113 -39.206 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.612 9.401 -37.827 1.00 0.00 H new ATOM 1070 N ALA A 70 2.335 6.854 -39.370 1.00 0.00 N ATOM 1071 CA ALA A 70 1.410 5.747 -39.153 1.00 0.00 C ATOM 1072 C ALA A 70 0.645 5.399 -40.426 1.00 0.00 C ATOM 1073 O ALA A 70 -0.011 4.362 -40.499 1.00 0.00 O ATOM 1074 CB ALA A 70 0.441 6.079 -38.032 1.00 0.00 C ATOM 0 H ALA A 70 1.998 7.755 -39.030 1.00 0.00 H new ATOM 0 HA ALA A 70 1.998 4.875 -38.868 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.242 5.243 -37.882 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.997 6.262 -37.113 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.128 6.971 -38.295 1.00 0.00 H new ATOM 1080 N GLY A 71 0.727 6.276 -41.418 1.00 0.00 N ATOM 1081 CA GLY A 71 0.086 6.017 -42.693 1.00 0.00 C ATOM 1082 C GLY A 71 -1.407 6.237 -42.647 1.00 0.00 C ATOM 1083 O GLY A 71 -2.173 5.493 -43.257 1.00 0.00 O ATOM 0 H GLY A 71 1.227 7.163 -41.363 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.522 6.665 -43.453 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.289 4.990 -42.996 1.00 0.00 H new