USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=21 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= 0.238 F(o=-0.6,f=0.57) USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 0.335 USER MOD Set 2.1: A 25 CYS SG : rot -97:sc= 0.582 USER MOD Set 2.2: A 27 CYS SG : rot -169:sc= 0.344! USER MOD Set 2.3: A 47 CYS SG : rot -53:sc=-0.00868 USER MOD Set 2.4: A 50 CYS SG : rot -152:sc= -2.57! USER MOD Single : A 3 THR OG1 : rot -165:sc= 1.32 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -114:sc= -1.15 (180deg=-3.42!) USER MOD Single : A 13 THR OG1 : rot -160:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.251 F(o=-6!,f=-0.25) USER MOD Single : A 20 MET CE :methyl 164:sc= 0 (180deg=-0.147) USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.547 USER MOD Single : A 23 TYR OH : rot 9:sc= 1.27 USER MOD Single : A 38 MET CE :methyl 159:sc= -0.169 (180deg=-1.23) USER MOD Single : A 43 LYS NZ :NH3+ -105:sc= 0.118 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -49:sc= 0.575 USER MOD Single : A 53 MET CE :methyl -154:sc= -0.218 (180deg=-1.01) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -8.928 10.044 -14.515 1.00 0.00 N ATOM 30 CA THR A 3 -7.623 9.690 -15.033 1.00 0.00 C ATOM 31 C THR A 3 -6.568 9.756 -13.932 1.00 0.00 C ATOM 32 O THR A 3 -6.346 10.806 -13.329 1.00 0.00 O ATOM 33 CB THR A 3 -7.238 10.611 -16.198 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.492 11.975 -15.847 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.027 10.250 -17.442 1.00 0.00 C ATOM 0 HA THR A 3 -7.670 8.665 -15.402 1.00 0.00 H new ATOM 0 HB THR A 3 -6.175 10.482 -16.405 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.473 12.530 -16.655 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.742 10.913 -18.259 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.814 9.218 -17.721 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.093 10.359 -17.241 1.00 0.00 H new ATOM 43 N TYR A 4 -5.928 8.627 -13.668 1.00 0.00 N ATOM 44 CA TYR A 4 -5.013 8.517 -12.539 1.00 0.00 C ATOM 45 C TYR A 4 -3.588 8.931 -12.909 1.00 0.00 C ATOM 46 O TYR A 4 -2.754 9.158 -12.033 1.00 0.00 O ATOM 47 CB TYR A 4 -5.029 7.083 -12.000 1.00 0.00 C ATOM 48 CG TYR A 4 -4.206 6.893 -10.746 1.00 0.00 C ATOM 49 CD1 TYR A 4 -4.448 7.662 -9.615 1.00 0.00 C ATOM 50 CD2 TYR A 4 -3.183 5.952 -10.696 1.00 0.00 C ATOM 51 CE1 TYR A 4 -3.696 7.501 -8.471 1.00 0.00 C ATOM 52 CE2 TYR A 4 -2.429 5.785 -9.550 1.00 0.00 C ATOM 53 CZ TYR A 4 -2.690 6.564 -8.444 1.00 0.00 C ATOM 54 OH TYR A 4 -1.945 6.403 -7.303 1.00 0.00 O ATOM 0 H TYR A 4 -6.024 7.774 -14.219 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.355 9.204 -11.765 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.060 6.794 -11.794 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.657 6.410 -12.773 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -5.238 8.398 -9.632 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.975 5.344 -11.564 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.896 8.108 -7.600 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.640 5.048 -9.522 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.276 5.702 -7.446 1.00 0.00 H new ATOM 64 N ASP A 5 -3.309 9.040 -14.197 1.00 0.00 N ATOM 65 CA ASP A 5 -1.963 9.376 -14.649 1.00 0.00 C ATOM 66 C ASP A 5 -2.027 10.290 -15.863 1.00 0.00 C ATOM 67 O ASP A 5 -3.114 10.576 -16.367 1.00 0.00 O ATOM 68 CB ASP A 5 -1.167 8.106 -14.972 1.00 0.00 C ATOM 69 CG ASP A 5 0.321 8.277 -14.729 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.996 8.936 -15.544 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.820 7.764 -13.705 1.00 0.00 O ATOM 0 H ASP A 5 -3.988 8.903 -14.945 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.450 9.903 -13.844 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.539 7.283 -14.363 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.333 7.832 -16.014 1.00 0.00 H new ATOM 76 N GLU A 6 -0.870 10.757 -16.308 1.00 0.00 N ATOM 77 CA GLU A 6 -0.779 11.696 -17.419 1.00 0.00 C ATOM 78 C GLU A 6 0.594 11.585 -18.077 1.00 0.00 C ATOM 79 O GLU A 6 1.610 11.864 -17.438 1.00 0.00 O ATOM 80 CB GLU A 6 -1.002 13.120 -16.904 1.00 0.00 C ATOM 81 CG GLU A 6 -1.016 14.185 -17.987 1.00 0.00 C ATOM 82 CD GLU A 6 -1.129 15.581 -17.415 1.00 0.00 C ATOM 83 OE1 GLU A 6 -2.226 15.951 -16.942 1.00 0.00 O ATOM 84 OE2 GLU A 6 -0.119 16.316 -17.419 1.00 0.00 O ATOM 0 H GLU A 6 0.032 10.497 -15.910 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.544 11.460 -18.158 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.949 13.154 -16.366 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.218 13.360 -16.186 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.104 14.110 -18.580 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.852 14.002 -18.663 1.00 0.00 H new ATOM 91 N ILE A 7 0.636 11.176 -19.346 1.00 0.00 N ATOM 92 CA ILE A 7 1.916 10.997 -20.028 1.00 0.00 C ATOM 93 C ILE A 7 1.921 11.722 -21.367 1.00 0.00 C ATOM 94 O ILE A 7 0.890 11.822 -22.031 1.00 0.00 O ATOM 95 CB ILE A 7 2.263 9.508 -20.294 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.851 8.610 -19.132 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.752 9.344 -20.562 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.479 8.006 -19.309 1.00 0.00 C ATOM 0 H ILE A 7 -0.186 10.966 -19.913 1.00 0.00 H new ATOM 0 HA ILE A 7 2.665 11.413 -19.354 1.00 0.00 H new ATOM 0 HB ILE A 7 1.699 9.202 -21.175 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.583 7.809 -19.022 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.870 9.189 -18.209 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.975 8.293 -20.746 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.031 9.933 -21.436 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.318 9.689 -19.696 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.244 7.378 -18.450 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.261 8.802 -19.390 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.462 7.401 -20.216 1.00 0.00 H new ATOM 110 N GLU A 8 3.081 12.233 -21.754 1.00 0.00 N ATOM 111 CA GLU A 8 3.239 12.852 -23.059 1.00 0.00 C ATOM 112 C GLU A 8 3.173 11.800 -24.159 1.00 0.00 C ATOM 113 O GLU A 8 3.621 10.665 -23.979 1.00 0.00 O ATOM 114 CB GLU A 8 4.566 13.611 -23.149 1.00 0.00 C ATOM 115 CG GLU A 8 4.719 14.702 -22.106 1.00 0.00 C ATOM 116 CD GLU A 8 5.983 15.509 -22.298 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.081 14.975 -22.038 1.00 0.00 O ATOM 118 OE2 GLU A 8 5.884 16.686 -22.704 1.00 0.00 O ATOM 0 H GLU A 8 3.925 12.230 -21.182 1.00 0.00 H new ATOM 0 HA GLU A 8 2.423 13.562 -23.193 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.387 12.902 -23.043 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.654 14.054 -24.141 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.856 15.367 -22.150 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.725 14.253 -21.113 1.00 0.00 H new ATOM 125 N ILE A 9 2.612 12.196 -25.293 1.00 0.00 N ATOM 126 CA ILE A 9 2.486 11.333 -26.464 1.00 0.00 C ATOM 127 C ILE A 9 3.845 10.770 -26.895 1.00 0.00 C ATOM 128 O ILE A 9 3.928 9.674 -27.451 1.00 0.00 O ATOM 129 CB ILE A 9 1.834 12.110 -27.638 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.694 11.221 -28.874 1.00 0.00 C ATOM 131 CG2 ILE A 9 2.632 13.366 -27.966 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.975 11.889 -30.027 1.00 0.00 C ATOM 0 H ILE A 9 2.228 13.131 -25.429 1.00 0.00 H new ATOM 0 HA ILE A 9 1.846 10.494 -26.191 1.00 0.00 H new ATOM 0 HB ILE A 9 0.835 12.412 -27.325 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.687 10.915 -29.205 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.156 10.314 -28.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.156 13.894 -28.792 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.665 14.015 -27.091 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.647 13.088 -28.250 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.914 11.198 -30.867 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.031 12.170 -29.715 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.523 12.781 -30.330 1.00 0.00 H new ATOM 144 N GLU A 10 4.900 11.526 -26.617 1.00 0.00 N ATOM 145 CA GLU A 10 6.258 11.139 -26.982 1.00 0.00 C ATOM 146 C GLU A 10 6.691 9.854 -26.272 1.00 0.00 C ATOM 147 O GLU A 10 7.449 9.056 -26.825 1.00 0.00 O ATOM 148 CB GLU A 10 7.229 12.260 -26.614 1.00 0.00 C ATOM 149 CG GLU A 10 8.661 11.989 -27.046 1.00 0.00 C ATOM 150 CD GLU A 10 9.673 12.620 -26.118 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.858 13.853 -26.182 1.00 0.00 O ATOM 152 OE2 GLU A 10 10.276 11.887 -25.311 1.00 0.00 O ATOM 0 H GLU A 10 4.839 12.422 -26.134 1.00 0.00 H new ATOM 0 HA GLU A 10 6.272 10.960 -28.057 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.889 13.189 -27.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.206 12.410 -25.535 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.829 10.913 -27.084 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.811 12.370 -28.056 1.00 0.00 H new ATOM 159 N ASP A 11 6.217 9.657 -25.044 1.00 0.00 N ATOM 160 CA ASP A 11 6.663 8.521 -24.235 1.00 0.00 C ATOM 161 C ASP A 11 5.838 7.275 -24.534 1.00 0.00 C ATOM 162 O ASP A 11 6.343 6.155 -24.454 1.00 0.00 O ATOM 163 CB ASP A 11 6.599 8.863 -22.743 1.00 0.00 C ATOM 164 CG ASP A 11 7.174 7.767 -21.864 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.385 7.486 -21.962 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.423 7.186 -21.054 1.00 0.00 O ATOM 0 H ASP A 11 5.532 10.261 -24.590 1.00 0.00 H new ATOM 0 HA ASP A 11 7.699 8.309 -24.498 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.144 9.790 -22.564 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.562 9.043 -22.460 1.00 0.00 H new ATOM 171 N MET A 12 4.570 7.472 -24.880 1.00 0.00 N ATOM 172 CA MET A 12 3.698 6.362 -25.248 1.00 0.00 C ATOM 173 C MET A 12 4.179 5.692 -26.531 1.00 0.00 C ATOM 174 O MET A 12 4.701 6.354 -27.432 1.00 0.00 O ATOM 175 CB MET A 12 2.254 6.835 -25.421 1.00 0.00 C ATOM 176 CG MET A 12 1.618 7.336 -24.136 1.00 0.00 C ATOM 177 SD MET A 12 -0.133 7.714 -24.330 1.00 0.00 S ATOM 178 CE MET A 12 -0.774 6.113 -24.818 1.00 0.00 C ATOM 0 H MET A 12 4.124 8.389 -24.913 1.00 0.00 H new ATOM 0 HA MET A 12 3.734 5.634 -24.438 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.229 7.633 -26.164 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.656 6.013 -25.815 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.739 6.583 -23.358 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.144 8.230 -23.799 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.142 6.165 -25.843 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.020 5.369 -24.755 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.590 5.830 -24.153 1.00 0.00 H new ATOM 188 N THR A 13 4.001 4.379 -26.605 1.00 0.00 N ATOM 189 CA THR A 13 4.428 3.607 -27.757 1.00 0.00 C ATOM 190 C THR A 13 3.511 3.873 -28.948 1.00 0.00 C ATOM 191 O THR A 13 2.302 3.642 -28.877 1.00 0.00 O ATOM 192 CB THR A 13 4.415 2.099 -27.445 1.00 0.00 C ATOM 193 OG1 THR A 13 4.930 1.866 -26.126 1.00 0.00 O ATOM 194 CG2 THR A 13 5.242 1.323 -28.462 1.00 0.00 C ATOM 0 H THR A 13 3.559 3.825 -25.871 1.00 0.00 H new ATOM 0 HA THR A 13 5.445 3.914 -28.001 1.00 0.00 H new ATOM 0 HB THR A 13 3.384 1.751 -27.500 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.216 0.932 -26.047 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.216 0.261 -28.218 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.830 1.477 -29.459 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.273 1.675 -28.437 1.00 0.00 H new ATOM 202 N PHE A 14 4.082 4.367 -30.030 1.00 0.00 N ATOM 203 CA PHE A 14 3.315 4.618 -31.238 1.00 0.00 C ATOM 204 C PHE A 14 3.108 3.322 -32.008 1.00 0.00 C ATOM 205 O PHE A 14 4.040 2.537 -32.180 1.00 0.00 O ATOM 206 CB PHE A 14 4.015 5.661 -32.122 1.00 0.00 C ATOM 207 CG PHE A 14 5.410 5.283 -32.556 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.491 5.471 -31.707 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.641 4.748 -33.815 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.770 5.131 -32.103 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.920 4.405 -34.216 1.00 0.00 C ATOM 212 CZ PHE A 14 7.984 4.597 -33.359 1.00 0.00 C ATOM 0 H PHE A 14 5.072 4.602 -30.099 1.00 0.00 H new ATOM 0 HA PHE A 14 2.341 5.015 -30.951 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.406 5.832 -33.010 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.061 6.605 -31.580 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.331 5.888 -30.724 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.812 4.597 -34.491 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.602 5.283 -31.431 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.085 3.988 -35.198 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.983 4.330 -33.670 1.00 0.00 H new ATOM 222 N GLU A 15 1.883 3.090 -32.452 1.00 0.00 N ATOM 223 CA GLU A 15 1.577 1.900 -33.225 1.00 0.00 C ATOM 224 C GLU A 15 0.988 2.291 -34.576 1.00 0.00 C ATOM 225 O GLU A 15 -0.229 2.443 -34.722 1.00 0.00 O ATOM 226 CB GLU A 15 0.614 0.989 -32.457 1.00 0.00 C ATOM 227 CG GLU A 15 0.463 -0.399 -33.061 1.00 0.00 C ATOM 228 CD GLU A 15 -0.489 -1.275 -32.271 1.00 0.00 C ATOM 229 OE1 GLU A 15 -0.607 -1.075 -31.045 1.00 0.00 O ATOM 230 OE2 GLU A 15 -1.124 -2.168 -32.876 1.00 0.00 O ATOM 0 H GLU A 15 1.088 3.708 -32.290 1.00 0.00 H new ATOM 0 HA GLU A 15 2.501 1.347 -33.395 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.964 0.891 -31.429 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.366 1.465 -32.416 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.103 -0.309 -34.086 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.440 -0.880 -33.108 1.00 0.00 H new ATOM 237 N PRO A 16 1.855 2.472 -35.586 1.00 0.00 N ATOM 238 CA PRO A 16 1.439 2.897 -36.926 1.00 0.00 C ATOM 239 C PRO A 16 0.621 1.825 -37.634 1.00 0.00 C ATOM 240 O PRO A 16 -0.053 2.096 -38.623 1.00 0.00 O ATOM 241 CB PRO A 16 2.762 3.140 -37.659 1.00 0.00 C ATOM 242 CG PRO A 16 3.763 2.310 -36.933 1.00 0.00 C ATOM 243 CD PRO A 16 3.316 2.280 -35.498 1.00 0.00 C ATOM 0 HA PRO A 16 0.796 3.777 -36.895 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.692 2.848 -38.707 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.036 4.195 -37.640 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.809 1.303 -37.348 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.762 2.738 -37.021 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.568 1.334 -35.019 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.790 3.069 -34.914 1.00 0.00 H new ATOM 251 N GLU A 17 0.673 0.612 -37.097 1.00 0.00 N ATOM 252 CA GLU A 17 -0.068 -0.512 -37.645 1.00 0.00 C ATOM 253 C GLU A 17 -1.564 -0.291 -37.487 1.00 0.00 C ATOM 254 O GLU A 17 -2.349 -0.587 -38.384 1.00 0.00 O ATOM 255 CB GLU A 17 0.332 -1.798 -36.930 1.00 0.00 C ATOM 256 CG GLU A 17 1.825 -2.058 -36.921 1.00 0.00 C ATOM 257 CD GLU A 17 2.178 -3.318 -36.162 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.163 -4.407 -36.775 1.00 0.00 O ATOM 259 OE2 GLU A 17 2.468 -3.226 -34.953 1.00 0.00 O ATOM 0 H GLU A 17 1.228 0.383 -36.273 1.00 0.00 H new ATOM 0 HA GLU A 17 0.169 -0.596 -38.706 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.026 -1.756 -35.901 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.170 -2.639 -37.408 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.184 -2.140 -37.947 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.338 -1.208 -36.471 1.00 0.00 H new ATOM 266 N ASN A 18 -1.946 0.244 -36.337 1.00 0.00 N ATOM 267 CA ASN A 18 -3.348 0.452 -36.024 1.00 0.00 C ATOM 268 C ASN A 18 -3.670 1.943 -36.009 1.00 0.00 C ATOM 269 O ASN A 18 -4.805 2.341 -35.756 1.00 0.00 O ATOM 270 CB ASN A 18 -3.667 -0.171 -34.667 1.00 0.00 C ATOM 271 CG ASN A 18 -5.117 -0.598 -34.551 1.00 0.00 C ATOM 272 OD1 ASN A 18 -5.978 0.162 -34.109 1.00 0.00 O ATOM 273 ND2 ASN A 18 -5.391 -1.827 -34.947 1.00 0.00 N ATOM 0 H ASN A 18 -1.301 0.542 -35.605 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.960 -0.026 -36.789 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.023 -1.036 -34.507 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.439 0.546 -33.879 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.347 -2.179 -34.893 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.647 -2.425 -35.307 1.00 0.00 H new ATOM 280 N GLN A 19 -2.650 2.759 -36.292 1.00 0.00 N ATOM 281 CA GLN A 19 -2.788 4.219 -36.315 1.00 0.00 C ATOM 282 C GLN A 19 -3.238 4.744 -34.952 1.00 0.00 C ATOM 283 O GLN A 19 -4.078 5.636 -34.863 1.00 0.00 O ATOM 284 CB GLN A 19 -3.767 4.676 -37.414 1.00 0.00 C ATOM 285 CG GLN A 19 -3.121 4.882 -38.784 1.00 0.00 C ATOM 286 CD GLN A 19 -3.091 3.635 -39.657 1.00 0.00 C ATOM 287 OE1 GLN A 19 -3.041 2.468 -39.046 1.00 0.00 O flip ATOM 288 NE2 GLN A 19 -3.118 3.727 -40.883 1.00 0.00 N flip ATOM 0 H GLN A 19 -1.710 2.429 -36.511 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.807 4.636 -36.543 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.562 3.936 -37.507 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.236 5.609 -37.102 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -3.660 5.668 -39.312 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.100 5.236 -38.642 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.157 4.646 -41.325 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.102 2.885 -41.458 1.00 0.00 H new ATOM 297 N MET A 20 -2.654 4.198 -33.893 1.00 0.00 N ATOM 298 CA MET A 20 -3.000 4.607 -32.540 1.00 0.00 C ATOM 299 C MET A 20 -1.777 4.517 -31.638 1.00 0.00 C ATOM 300 O MET A 20 -0.720 4.046 -32.065 1.00 0.00 O ATOM 301 CB MET A 20 -4.130 3.734 -31.982 1.00 0.00 C ATOM 302 CG MET A 20 -3.727 2.291 -31.732 1.00 0.00 C ATOM 303 SD MET A 20 -5.059 1.312 -31.013 1.00 0.00 S ATOM 304 CE MET A 20 -4.249 -0.275 -30.825 1.00 0.00 C ATOM 0 H MET A 20 -1.940 3.472 -33.946 1.00 0.00 H new ATOM 0 HA MET A 20 -3.345 5.640 -32.570 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.484 4.169 -31.047 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.967 3.751 -32.679 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.415 1.837 -32.672 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.865 2.269 -31.066 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.828 -0.901 -30.146 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.177 -0.764 -31.797 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.249 -0.127 -30.418 1.00 0.00 H new ATOM 314 N PHE A 21 -1.918 4.970 -30.406 1.00 0.00 N ATOM 315 CA PHE A 21 -0.839 4.896 -29.436 1.00 0.00 C ATOM 316 C PHE A 21 -1.220 3.959 -28.303 1.00 0.00 C ATOM 317 O PHE A 21 -2.381 3.911 -27.888 1.00 0.00 O ATOM 318 CB PHE A 21 -0.513 6.284 -28.879 1.00 0.00 C ATOM 319 CG PHE A 21 0.187 7.175 -29.860 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.519 7.821 -30.862 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.557 7.363 -29.781 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.130 8.636 -31.767 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.210 8.178 -30.684 1.00 0.00 C ATOM 324 CZ PHE A 21 1.495 8.814 -31.679 1.00 0.00 C ATOM 0 H PHE A 21 -2.774 5.396 -30.051 1.00 0.00 H new ATOM 0 HA PHE A 21 0.048 4.509 -29.938 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.438 6.765 -28.560 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.111 6.173 -27.992 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.588 7.685 -30.936 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.120 6.867 -29.005 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.431 9.134 -32.544 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.279 8.318 -30.612 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.004 9.450 -32.388 1.00 0.00 H new ATOM 334 N THR A 22 -0.251 3.202 -27.820 1.00 0.00 N ATOM 335 CA THR A 22 -0.484 2.283 -26.726 1.00 0.00 C ATOM 336 C THR A 22 0.608 2.411 -25.673 1.00 0.00 C ATOM 337 O THR A 22 1.761 2.692 -25.990 1.00 0.00 O ATOM 338 CB THR A 22 -0.568 0.823 -27.213 1.00 0.00 C ATOM 339 OG1 THR A 22 0.590 0.490 -27.991 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.829 0.586 -28.034 1.00 0.00 C ATOM 0 H THR A 22 0.707 3.208 -28.171 1.00 0.00 H new ATOM 0 HA THR A 22 -1.444 2.549 -26.283 1.00 0.00 H new ATOM 0 HB THR A 22 -0.607 0.180 -26.334 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.455 -0.379 -28.424 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.859 -0.453 -28.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.706 0.799 -27.423 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.825 1.242 -28.904 1.00 0.00 H new ATOM 348 N TYR A 23 0.240 2.226 -24.418 1.00 0.00 N ATOM 349 CA TYR A 23 1.196 2.328 -23.332 1.00 0.00 C ATOM 350 C TYR A 23 1.273 1.000 -22.585 1.00 0.00 C ATOM 351 O TYR A 23 0.245 0.415 -22.251 1.00 0.00 O ATOM 352 CB TYR A 23 0.805 3.466 -22.385 1.00 0.00 C ATOM 353 CG TYR A 23 1.963 4.008 -21.583 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.021 4.635 -22.222 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.001 3.905 -20.197 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.085 5.142 -21.511 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.066 4.412 -19.474 1.00 0.00 C ATOM 358 CZ TYR A 23 4.107 5.030 -20.140 1.00 0.00 C ATOM 359 OH TYR A 23 5.173 5.542 -19.436 1.00 0.00 O ATOM 0 H TYR A 23 -0.712 2.005 -24.127 1.00 0.00 H new ATOM 0 HA TYR A 23 2.181 2.553 -23.742 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.365 4.276 -22.966 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.035 3.110 -21.701 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.010 4.728 -23.298 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.187 3.422 -19.677 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.900 5.626 -22.028 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.084 4.325 -18.398 1.00 0.00 H new ATOM 0 HH TYR A 23 5.744 6.062 -20.039 1.00 0.00 H new ATOM 369 N PRO A 24 2.493 0.496 -22.348 1.00 0.00 N ATOM 370 CA PRO A 24 2.710 -0.796 -21.684 1.00 0.00 C ATOM 371 C PRO A 24 2.094 -0.863 -20.287 1.00 0.00 C ATOM 372 O PRO A 24 2.403 -0.049 -19.414 1.00 0.00 O ATOM 373 CB PRO A 24 4.236 -0.921 -21.602 1.00 0.00 C ATOM 374 CG PRO A 24 4.759 0.459 -21.820 1.00 0.00 C ATOM 375 CD PRO A 24 3.763 1.139 -22.713 1.00 0.00 C ATOM 0 HA PRO A 24 2.233 -1.605 -22.237 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.547 -1.310 -20.632 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.615 -1.609 -22.358 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.863 0.991 -20.875 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.746 0.434 -22.283 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.735 2.215 -22.539 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.001 0.993 -23.767 1.00 0.00 H new ATOM 383 N CYS A 25 1.225 -1.843 -20.103 1.00 0.00 N ATOM 384 CA CYS A 25 0.573 -2.097 -18.828 1.00 0.00 C ATOM 385 C CYS A 25 0.512 -3.597 -18.596 1.00 0.00 C ATOM 386 O CYS A 25 0.286 -4.354 -19.538 1.00 0.00 O ATOM 387 CB CYS A 25 -0.842 -1.509 -18.836 1.00 0.00 C ATOM 388 SG CYS A 25 -1.871 -1.950 -17.395 1.00 0.00 S ATOM 0 H CYS A 25 0.949 -2.491 -20.841 1.00 0.00 H new ATOM 0 HA CYS A 25 1.140 -1.625 -18.026 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.767 -0.423 -18.891 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.351 -1.840 -19.741 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.637 -2.955 -17.700 1.00 0.00 H new ATOM 393 N PRO A 26 0.766 -4.065 -17.372 1.00 0.00 N ATOM 394 CA PRO A 26 0.608 -5.463 -17.033 1.00 0.00 C ATOM 395 C PRO A 26 -0.790 -5.762 -16.483 1.00 0.00 C ATOM 396 O PRO A 26 -1.170 -5.264 -15.419 1.00 0.00 O ATOM 397 CB PRO A 26 1.675 -5.675 -15.950 1.00 0.00 C ATOM 398 CG PRO A 26 2.090 -4.302 -15.484 1.00 0.00 C ATOM 399 CD PRO A 26 1.255 -3.293 -16.234 1.00 0.00 C ATOM 0 HA PRO A 26 0.721 -6.120 -17.895 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.277 -6.262 -15.122 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.528 -6.224 -16.348 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.939 -4.201 -14.409 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.151 -4.138 -15.674 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.438 -2.910 -15.623 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.846 -2.434 -16.551 1.00 0.00 H new ATOM 407 N CYS A 27 -1.520 -6.615 -17.196 1.00 0.00 N ATOM 408 CA CYS A 27 -2.879 -6.989 -16.821 1.00 0.00 C ATOM 409 C CYS A 27 -3.427 -8.006 -17.817 1.00 0.00 C ATOM 410 O CYS A 27 -3.901 -9.079 -17.442 1.00 0.00 O ATOM 411 CB CYS A 27 -3.791 -5.750 -16.791 1.00 0.00 C ATOM 412 SG CYS A 27 -4.001 -4.933 -18.409 1.00 0.00 S ATOM 0 H CYS A 27 -1.186 -7.065 -18.048 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.856 -7.431 -15.825 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.771 -6.044 -16.416 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.382 -5.029 -16.083 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.593 -3.787 -18.243 1.00 0.00 H new ATOM 417 N GLY A 28 -3.335 -7.648 -19.086 1.00 0.00 N ATOM 418 CA GLY A 28 -3.836 -8.475 -20.159 1.00 0.00 C ATOM 419 C GLY A 28 -3.766 -7.742 -21.484 1.00 0.00 C ATOM 420 O GLY A 28 -3.644 -8.355 -22.544 1.00 0.00 O ATOM 0 H GLY A 28 -2.910 -6.775 -19.397 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.254 -9.395 -20.217 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.867 -8.762 -19.952 1.00 0.00 H new ATOM 424 N ASP A 29 -3.843 -6.416 -21.418 1.00 0.00 N ATOM 425 CA ASP A 29 -3.741 -5.569 -22.600 1.00 0.00 C ATOM 426 C ASP A 29 -2.964 -4.302 -22.252 1.00 0.00 C ATOM 427 O ASP A 29 -2.530 -4.141 -21.115 1.00 0.00 O ATOM 428 CB ASP A 29 -5.124 -5.221 -23.150 1.00 0.00 C ATOM 429 CG ASP A 29 -5.116 -5.049 -24.663 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.493 -4.093 -25.169 1.00 0.00 O ATOM 431 OD2 ASP A 29 -5.740 -5.883 -25.359 1.00 0.00 O ATOM 0 H ASP A 29 -3.977 -5.901 -20.548 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.207 -6.115 -23.378 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.829 -6.007 -22.879 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.478 -4.301 -22.684 1.00 0.00 H new ATOM 436 N ARG A 30 -2.723 -3.459 -23.239 1.00 0.00 N ATOM 437 CA ARG A 30 -1.971 -2.225 -23.030 1.00 0.00 C ATOM 438 C ARG A 30 -2.866 -1.006 -23.266 1.00 0.00 C ATOM 439 O ARG A 30 -3.778 -1.060 -24.096 1.00 0.00 O ATOM 440 CB ARG A 30 -0.747 -2.197 -23.956 1.00 0.00 C ATOM 441 CG ARG A 30 -1.075 -2.427 -25.426 1.00 0.00 C ATOM 442 CD ARG A 30 0.169 -2.777 -26.233 1.00 0.00 C ATOM 443 NE ARG A 30 1.164 -1.702 -26.230 1.00 0.00 N ATOM 444 CZ ARG A 30 2.415 -1.844 -25.788 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.838 -3.021 -25.343 1.00 0.00 N ATOM 446 NH2 ARG A 30 3.246 -0.807 -25.801 1.00 0.00 N ATOM 0 H ARG A 30 -3.037 -3.603 -24.199 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.624 -2.190 -21.997 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.248 -1.233 -23.852 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.040 -2.959 -23.629 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.805 -3.232 -25.514 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.537 -1.531 -25.840 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.618 -3.683 -25.827 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -0.119 -2.997 -27.261 1.00 0.00 H new ATOM 0 HE ARG A 30 0.883 -0.789 -26.588 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.206 -3.822 -25.338 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.795 -3.125 -25.006 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.928 0.097 -26.149 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.202 -0.916 -25.463 1.00 0.00 H new ATOM 460 N PHE A 31 -2.605 0.079 -22.522 1.00 0.00 N ATOM 461 CA PHE A 31 -3.361 1.331 -22.663 1.00 0.00 C ATOM 462 C PHE A 31 -3.493 1.700 -24.127 1.00 0.00 C ATOM 463 O PHE A 31 -2.490 1.879 -24.807 1.00 0.00 O ATOM 464 CB PHE A 31 -2.656 2.491 -21.948 1.00 0.00 C ATOM 465 CG PHE A 31 -2.568 2.375 -20.454 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.623 2.775 -19.654 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.415 1.901 -19.850 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.531 2.703 -18.278 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.321 1.822 -18.473 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.380 2.225 -17.687 1.00 0.00 C ATOM 0 H PHE A 31 -1.872 0.114 -21.813 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.342 1.168 -22.216 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.646 2.580 -22.348 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.178 3.416 -22.192 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.528 3.148 -20.110 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.581 1.590 -20.461 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.361 3.021 -17.664 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.419 1.445 -18.013 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.308 2.166 -16.611 1.00 0.00 H new ATOM 480 N GLN A 32 -4.712 1.825 -24.618 1.00 0.00 N ATOM 481 CA GLN A 32 -4.908 2.132 -26.018 1.00 0.00 C ATOM 482 C GLN A 32 -5.680 3.437 -26.186 1.00 0.00 C ATOM 483 O GLN A 32 -6.695 3.667 -25.526 1.00 0.00 O ATOM 484 CB GLN A 32 -5.611 0.966 -26.729 1.00 0.00 C ATOM 485 CG GLN A 32 -7.059 0.738 -26.308 1.00 0.00 C ATOM 486 CD GLN A 32 -7.593 -0.621 -26.738 1.00 0.00 C ATOM 487 OE1 GLN A 32 -6.770 -1.657 -26.613 1.00 0.00 O flip ATOM 488 NE2 GLN A 32 -8.760 -0.751 -27.119 1.00 0.00 N flip ATOM 0 H GLN A 32 -5.569 1.720 -24.075 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.932 2.269 -26.483 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.584 1.145 -27.804 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.046 0.053 -26.544 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.135 0.827 -25.224 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.685 1.521 -26.737 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.363 0.067 -27.203 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.121 -1.677 -27.350 1.00 0.00 H new ATOM 497 N ILE A 33 -5.161 4.302 -27.044 1.00 0.00 N ATOM 498 CA ILE A 33 -5.814 5.559 -27.360 1.00 0.00 C ATOM 499 C ILE A 33 -5.849 5.762 -28.876 1.00 0.00 C ATOM 500 O ILE A 33 -4.845 5.567 -29.563 1.00 0.00 O ATOM 501 CB ILE A 33 -5.116 6.754 -26.664 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.856 8.059 -26.971 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.654 6.860 -27.080 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.294 9.261 -26.243 1.00 0.00 C ATOM 0 H ILE A 33 -4.281 4.152 -27.537 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.836 5.515 -26.983 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.146 6.579 -25.589 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.818 8.244 -28.044 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.907 7.942 -26.705 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.192 7.708 -26.574 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.130 5.945 -26.805 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.592 7.003 -28.159 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.868 10.149 -26.509 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.357 9.097 -25.167 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.252 9.404 -26.528 1.00 0.00 H new ATOM 516 N TYR A 34 -7.012 6.130 -29.393 1.00 0.00 N ATOM 517 CA TYR A 34 -7.212 6.221 -30.830 1.00 0.00 C ATOM 518 C TYR A 34 -6.874 7.619 -31.335 1.00 0.00 C ATOM 519 O TYR A 34 -7.278 8.619 -30.736 1.00 0.00 O ATOM 520 CB TYR A 34 -8.659 5.862 -31.172 1.00 0.00 C ATOM 521 CG TYR A 34 -9.136 4.594 -30.489 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.689 3.344 -30.904 1.00 0.00 C ATOM 523 CD2 TYR A 34 -10.034 4.651 -29.431 1.00 0.00 C ATOM 524 CE1 TYR A 34 -9.123 2.187 -30.281 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.472 3.499 -28.802 1.00 0.00 C ATOM 526 CZ TYR A 34 -10.015 2.270 -29.231 1.00 0.00 C ATOM 527 OH TYR A 34 -10.461 1.120 -28.610 1.00 0.00 O ATOM 0 H TYR A 34 -7.832 6.371 -28.837 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.544 5.515 -31.324 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.309 6.688 -30.885 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.752 5.743 -32.251 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.992 3.275 -31.726 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.397 5.611 -29.094 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.766 1.224 -30.615 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.168 3.562 -27.979 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.083 1.357 -27.891 1.00 0.00 H new ATOM 537 N LEU A 35 -6.136 7.681 -32.441 1.00 0.00 N ATOM 538 CA LEU A 35 -5.705 8.952 -33.020 1.00 0.00 C ATOM 539 C LEU A 35 -6.923 9.783 -33.423 1.00 0.00 C ATOM 540 O LEU A 35 -6.897 11.012 -33.368 1.00 0.00 O ATOM 541 CB LEU A 35 -4.802 8.685 -34.236 1.00 0.00 C ATOM 542 CG LEU A 35 -3.730 9.744 -34.544 1.00 0.00 C ATOM 543 CD1 LEU A 35 -4.347 11.050 -35.023 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.848 9.980 -33.326 1.00 0.00 C ATOM 0 H LEU A 35 -5.822 6.860 -32.958 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.137 9.514 -32.279 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.302 7.728 -34.085 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.437 8.578 -35.115 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.111 9.360 -35.355 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.557 11.772 -35.230 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.921 10.870 -35.932 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.006 11.446 -34.251 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.095 10.732 -33.562 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.461 10.329 -32.495 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.355 9.048 -33.048 1.00 0.00 H new ATOM 556 N ASP A 36 -7.997 9.093 -33.792 1.00 0.00 N ATOM 557 CA ASP A 36 -9.246 9.738 -34.189 1.00 0.00 C ATOM 558 C ASP A 36 -9.728 10.707 -33.109 1.00 0.00 C ATOM 559 O ASP A 36 -10.114 11.843 -33.399 1.00 0.00 O ATOM 560 CB ASP A 36 -10.309 8.668 -34.454 1.00 0.00 C ATOM 561 CG ASP A 36 -11.656 9.242 -34.852 1.00 0.00 C ATOM 562 OD1 ASP A 36 -12.424 9.655 -33.952 1.00 0.00 O ATOM 563 OD2 ASP A 36 -11.968 9.253 -36.063 1.00 0.00 O ATOM 0 H ASP A 36 -8.028 8.074 -33.825 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.071 10.311 -35.100 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.957 8.005 -35.244 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.432 8.059 -33.558 1.00 0.00 H new ATOM 568 N ASP A 37 -9.674 10.258 -31.861 1.00 0.00 N ATOM 569 CA ASP A 37 -10.098 11.073 -30.730 1.00 0.00 C ATOM 570 C ASP A 37 -9.040 12.106 -30.384 1.00 0.00 C ATOM 571 O ASP A 37 -9.362 13.241 -30.033 1.00 0.00 O ATOM 572 CB ASP A 37 -10.381 10.199 -29.509 1.00 0.00 C ATOM 573 CG ASP A 37 -11.540 9.256 -29.730 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.699 9.681 -29.551 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.301 8.087 -30.098 1.00 0.00 O ATOM 0 H ASP A 37 -9.339 9.329 -31.606 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.015 11.588 -31.016 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.489 9.622 -29.264 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.594 10.837 -28.651 1.00 0.00 H new ATOM 580 N MET A 38 -7.778 11.712 -30.494 1.00 0.00 N ATOM 581 CA MET A 38 -6.670 12.609 -30.191 1.00 0.00 C ATOM 582 C MET A 38 -6.713 13.835 -31.093 1.00 0.00 C ATOM 583 O MET A 38 -6.509 14.958 -30.638 1.00 0.00 O ATOM 584 CB MET A 38 -5.327 11.898 -30.350 1.00 0.00 C ATOM 585 CG MET A 38 -5.172 10.668 -29.469 1.00 0.00 C ATOM 586 SD MET A 38 -3.516 9.963 -29.542 1.00 0.00 S ATOM 587 CE MET A 38 -2.560 11.284 -28.802 1.00 0.00 C ATOM 0 H MET A 38 -7.496 10.778 -30.791 1.00 0.00 H new ATOM 0 HA MET A 38 -6.774 12.925 -29.153 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.204 11.604 -31.392 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.526 12.600 -30.120 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.404 10.934 -28.438 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.897 9.914 -29.775 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.614 10.886 -28.434 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.364 12.054 -29.549 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.119 11.717 -27.973 1.00 0.00 H new ATOM 597 N PHE A 39 -6.997 13.604 -32.370 1.00 0.00 N ATOM 598 CA PHE A 39 -7.146 14.680 -33.342 1.00 0.00 C ATOM 599 C PHE A 39 -8.283 15.617 -32.940 1.00 0.00 C ATOM 600 O PHE A 39 -8.184 16.835 -33.093 1.00 0.00 O ATOM 601 CB PHE A 39 -7.402 14.086 -34.733 1.00 0.00 C ATOM 602 CG PHE A 39 -7.819 15.097 -35.760 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.938 16.074 -36.190 1.00 0.00 C ATOM 604 CD2 PHE A 39 -9.101 15.077 -36.283 1.00 0.00 C ATOM 605 CE1 PHE A 39 -7.327 17.011 -37.126 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.496 16.011 -37.217 1.00 0.00 C ATOM 607 CZ PHE A 39 -8.608 16.980 -37.640 1.00 0.00 C ATOM 0 H PHE A 39 -7.130 12.670 -32.759 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.225 15.263 -33.369 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.496 13.587 -35.076 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.176 13.323 -34.654 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.936 16.104 -35.789 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.799 14.321 -35.956 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.630 17.767 -37.456 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.499 15.985 -37.617 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.915 17.713 -38.372 1.00 0.00 H new ATOM 617 N GLU A 40 -9.347 15.035 -32.401 1.00 0.00 N ATOM 618 CA GLU A 40 -10.515 15.792 -31.981 1.00 0.00 C ATOM 619 C GLU A 40 -10.190 16.660 -30.766 1.00 0.00 C ATOM 620 O GLU A 40 -10.854 17.663 -30.503 1.00 0.00 O ATOM 621 CB GLU A 40 -11.659 14.834 -31.648 1.00 0.00 C ATOM 622 CG GLU A 40 -12.983 15.534 -31.396 1.00 0.00 C ATOM 623 CD GLU A 40 -14.120 14.571 -31.158 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.329 14.158 -29.996 1.00 0.00 O ATOM 625 OE2 GLU A 40 -14.818 14.228 -32.133 1.00 0.00 O ATOM 0 H GLU A 40 -9.423 14.030 -32.244 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.817 16.446 -32.799 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.781 14.128 -32.469 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.391 14.253 -30.765 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.882 16.190 -30.532 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.222 16.167 -32.251 1.00 0.00 H new ATOM 632 N GLY A 41 -9.153 16.279 -30.039 1.00 0.00 N ATOM 633 CA GLY A 41 -8.795 16.991 -28.833 1.00 0.00 C ATOM 634 C GLY A 41 -9.130 16.193 -27.594 1.00 0.00 C ATOM 635 O GLY A 41 -9.025 16.693 -26.474 1.00 0.00 O ATOM 0 H GLY A 41 -8.551 15.487 -30.264 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.728 17.214 -28.845 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.320 17.946 -28.804 1.00 0.00 H new ATOM 639 N GLU A 42 -9.545 14.950 -27.801 1.00 0.00 N ATOM 640 CA GLU A 42 -9.831 14.044 -26.700 1.00 0.00 C ATOM 641 C GLU A 42 -8.582 13.226 -26.396 1.00 0.00 C ATOM 642 O GLU A 42 -8.209 12.342 -27.166 1.00 0.00 O ATOM 643 CB GLU A 42 -11.001 13.119 -27.064 1.00 0.00 C ATOM 644 CG GLU A 42 -11.523 12.286 -25.903 1.00 0.00 C ATOM 645 CD GLU A 42 -12.160 13.134 -24.820 1.00 0.00 C ATOM 646 OE1 GLU A 42 -11.424 13.665 -23.966 1.00 0.00 O ATOM 647 OE2 GLU A 42 -13.404 13.276 -24.822 1.00 0.00 O ATOM 0 H GLU A 42 -9.691 14.546 -28.726 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.114 14.618 -25.817 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.818 13.723 -27.459 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.685 12.449 -27.864 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.254 11.568 -26.275 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.702 11.712 -25.474 1.00 0.00 H new ATOM 654 N LYS A 43 -7.922 13.528 -25.287 1.00 0.00 N ATOM 655 CA LYS A 43 -6.661 12.874 -24.984 1.00 0.00 C ATOM 656 C LYS A 43 -6.722 12.117 -23.658 1.00 0.00 C ATOM 657 O LYS A 43 -6.569 12.683 -22.576 1.00 0.00 O ATOM 658 CB LYS A 43 -5.507 13.892 -24.985 1.00 0.00 C ATOM 659 CG LYS A 43 -5.667 15.063 -24.014 1.00 0.00 C ATOM 660 CD LYS A 43 -6.566 16.166 -24.554 1.00 0.00 C ATOM 661 CE LYS A 43 -6.765 17.271 -23.528 1.00 0.00 C ATOM 662 NZ LYS A 43 -7.727 18.305 -23.996 1.00 0.00 N ATOM 0 H LYS A 43 -8.233 14.209 -24.594 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.473 12.140 -25.768 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.582 13.368 -24.746 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.397 14.290 -25.994 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.078 14.695 -23.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.685 15.479 -23.791 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.128 16.584 -25.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.533 15.746 -24.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.125 16.838 -22.595 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.806 17.741 -23.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.207 19.162 -24.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.258 17.941 -24.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.389 18.537 -23.228 1.00 0.00 H new ATOM 676 N VAL A 44 -6.933 10.817 -23.773 1.00 0.00 N ATOM 677 CA VAL A 44 -6.956 9.912 -22.632 1.00 0.00 C ATOM 678 C VAL A 44 -6.904 8.472 -23.131 1.00 0.00 C ATOM 679 O VAL A 44 -7.651 8.095 -24.032 1.00 0.00 O ATOM 680 CB VAL A 44 -8.207 10.139 -21.739 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.450 10.320 -22.590 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.405 8.994 -20.755 1.00 0.00 C ATOM 0 H VAL A 44 -7.095 10.354 -24.667 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.083 10.116 -22.012 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.038 11.051 -21.166 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.314 10.477 -21.944 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.322 11.184 -23.242 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.609 9.428 -23.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.289 9.186 -20.147 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.538 8.062 -21.304 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.530 8.914 -20.109 1.00 0.00 H new ATOM 692 N ALA A 45 -6.005 7.683 -22.573 1.00 0.00 N ATOM 693 CA ALA A 45 -5.853 6.304 -22.999 1.00 0.00 C ATOM 694 C ALA A 45 -6.544 5.368 -22.021 1.00 0.00 C ATOM 695 O ALA A 45 -6.440 5.536 -20.803 1.00 0.00 O ATOM 696 CB ALA A 45 -4.383 5.942 -23.148 1.00 0.00 C ATOM 0 H ALA A 45 -5.372 7.971 -21.827 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.326 6.192 -23.975 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.295 4.904 -23.468 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.922 6.592 -23.892 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.878 6.071 -22.191 1.00 0.00 H new ATOM 702 N VAL A 46 -7.263 4.400 -22.565 1.00 0.00 N ATOM 703 CA VAL A 46 -7.981 3.424 -21.761 1.00 0.00 C ATOM 704 C VAL A 46 -7.375 2.048 -21.972 1.00 0.00 C ATOM 705 O VAL A 46 -7.154 1.624 -23.106 1.00 0.00 O ATOM 706 CB VAL A 46 -9.486 3.384 -22.129 1.00 0.00 C ATOM 707 CG1 VAL A 46 -10.251 2.430 -21.223 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.098 4.779 -22.074 1.00 0.00 C ATOM 0 H VAL A 46 -7.365 4.269 -23.571 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.893 3.718 -20.715 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.565 3.014 -23.151 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.303 2.424 -21.506 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.842 1.425 -21.325 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.156 2.757 -20.187 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.154 4.723 -22.336 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.995 5.182 -21.067 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.583 5.430 -22.780 1.00 0.00 H new ATOM 718 N CYS A 47 -7.075 1.373 -20.883 1.00 0.00 N ATOM 719 CA CYS A 47 -6.524 0.041 -20.955 1.00 0.00 C ATOM 720 C CYS A 47 -7.623 -0.983 -20.727 1.00 0.00 C ATOM 721 O CYS A 47 -8.287 -0.978 -19.687 1.00 0.00 O ATOM 722 CB CYS A 47 -5.409 -0.135 -19.925 1.00 0.00 C ATOM 723 SG CYS A 47 -4.383 -1.617 -20.200 1.00 0.00 S ATOM 0 H CYS A 47 -7.205 1.728 -19.936 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.098 -0.111 -21.947 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.769 0.747 -19.941 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.851 -0.190 -18.930 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.148 -2.664 -20.292 1.00 0.00 H new ATOM 728 N PRO A 48 -7.860 -1.845 -21.716 1.00 0.00 N ATOM 729 CA PRO A 48 -8.813 -2.936 -21.580 1.00 0.00 C ATOM 730 C PRO A 48 -8.306 -3.992 -20.600 1.00 0.00 C ATOM 731 O PRO A 48 -7.104 -4.085 -20.359 1.00 0.00 O ATOM 732 CB PRO A 48 -8.928 -3.504 -22.998 1.00 0.00 C ATOM 733 CG PRO A 48 -7.681 -3.090 -23.695 1.00 0.00 C ATOM 734 CD PRO A 48 -7.210 -1.822 -23.038 1.00 0.00 C ATOM 0 HA PRO A 48 -9.773 -2.607 -21.183 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.025 -4.590 -22.979 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.810 -3.114 -23.507 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.921 -3.868 -23.621 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.868 -2.928 -24.756 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.124 -1.798 -22.949 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.502 -0.942 -23.612 1.00 0.00 H new ATOM 742 N SER A 49 -9.238 -4.750 -20.016 1.00 0.00 N ATOM 743 CA SER A 49 -8.935 -5.815 -19.052 1.00 0.00 C ATOM 744 C SER A 49 -8.802 -5.260 -17.631 1.00 0.00 C ATOM 745 O SER A 49 -9.514 -5.701 -16.724 1.00 0.00 O ATOM 746 CB SER A 49 -7.677 -6.613 -19.449 1.00 0.00 C ATOM 747 OG SER A 49 -7.400 -7.650 -18.526 1.00 0.00 O ATOM 0 H SER A 49 -10.235 -4.641 -20.200 1.00 0.00 H new ATOM 0 HA SER A 49 -9.778 -6.505 -19.069 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.815 -7.038 -20.443 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.822 -5.939 -19.506 1.00 0.00 H new ATOM 0 HG SER A 49 -6.597 -8.135 -18.810 1.00 0.00 H new ATOM 753 N CYS A 50 -7.914 -4.291 -17.425 1.00 0.00 N ATOM 754 CA CYS A 50 -7.751 -3.718 -16.092 1.00 0.00 C ATOM 755 C CYS A 50 -8.625 -2.474 -15.934 1.00 0.00 C ATOM 756 O CYS A 50 -8.901 -2.035 -14.813 1.00 0.00 O ATOM 757 CB CYS A 50 -6.281 -3.394 -15.796 1.00 0.00 C ATOM 758 SG CYS A 50 -5.622 -1.948 -16.683 1.00 0.00 S ATOM 0 H CYS A 50 -7.310 -3.894 -18.144 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.075 -4.463 -15.365 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.169 -3.227 -14.725 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.674 -4.264 -16.048 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.341 -2.089 -16.851 1.00 0.00 H new ATOM 763 N SER A 51 -9.049 -1.915 -17.071 1.00 0.00 N ATOM 764 CA SER A 51 -9.978 -0.788 -17.100 1.00 0.00 C ATOM 765 C SER A 51 -9.326 0.469 -16.525 1.00 0.00 C ATOM 766 O SER A 51 -9.953 1.230 -15.782 1.00 0.00 O ATOM 767 CB SER A 51 -11.267 -1.136 -16.337 1.00 0.00 C ATOM 768 OG SER A 51 -12.234 -0.106 -16.456 1.00 0.00 O ATOM 0 H SER A 51 -8.757 -2.233 -17.995 1.00 0.00 H new ATOM 0 HA SER A 51 -10.239 -0.584 -18.138 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.678 -2.069 -16.722 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.035 -1.300 -15.285 1.00 0.00 H new ATOM 0 HG SER A 51 -11.819 0.758 -16.250 1.00 0.00 H new ATOM 774 N LEU A 52 -8.076 0.704 -16.904 1.00 0.00 N ATOM 775 CA LEU A 52 -7.342 1.853 -16.429 1.00 0.00 C ATOM 776 C LEU A 52 -7.491 2.978 -17.436 1.00 0.00 C ATOM 777 O LEU A 52 -7.628 2.742 -18.635 1.00 0.00 O ATOM 778 CB LEU A 52 -5.858 1.507 -16.260 1.00 0.00 C ATOM 779 CG LEU A 52 -5.176 2.011 -14.978 1.00 0.00 C ATOM 780 CD1 LEU A 52 -5.386 3.503 -14.774 1.00 0.00 C ATOM 781 CD2 LEU A 52 -5.660 1.228 -13.772 1.00 0.00 C ATOM 0 H LEU A 52 -7.553 0.105 -17.543 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.738 2.160 -15.461 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.755 0.423 -16.297 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.315 1.909 -17.115 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.104 1.848 -15.091 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.888 3.818 -13.857 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.968 4.048 -15.620 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.453 3.713 -14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.166 1.600 -12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.738 1.349 -13.669 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.424 0.172 -13.905 1.00 0.00 H new ATOM 793 N MET A 53 -7.475 4.193 -16.942 1.00 0.00 N ATOM 794 CA MET A 53 -7.587 5.371 -17.788 1.00 0.00 C ATOM 795 C MET A 53 -6.654 6.458 -17.291 1.00 0.00 C ATOM 796 O MET A 53 -6.574 6.724 -16.086 1.00 0.00 O ATOM 797 CB MET A 53 -9.028 5.889 -17.794 1.00 0.00 C ATOM 798 CG MET A 53 -10.012 4.944 -18.459 1.00 0.00 C ATOM 799 SD MET A 53 -11.729 5.389 -18.140 1.00 0.00 S ATOM 800 CE MET A 53 -11.802 5.127 -16.369 1.00 0.00 C ATOM 0 H MET A 53 -7.385 4.399 -15.947 1.00 0.00 H new ATOM 0 HA MET A 53 -7.308 5.095 -18.805 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.346 6.066 -16.766 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.057 6.850 -18.307 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.836 4.941 -19.535 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.832 3.929 -18.103 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.828 4.902 -16.076 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.156 4.292 -16.098 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.467 6.027 -15.854 1.00 0.00 H new ATOM 810 N ILE A 54 -5.952 7.095 -18.217 1.00 0.00 N ATOM 811 CA ILE A 54 -5.029 8.168 -17.874 1.00 0.00 C ATOM 812 C ILE A 54 -5.039 9.232 -18.966 1.00 0.00 C ATOM 813 O ILE A 54 -5.329 8.939 -20.126 1.00 0.00 O ATOM 814 CB ILE A 54 -3.566 7.679 -17.654 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.837 7.444 -18.984 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.528 6.413 -16.800 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.371 6.291 -19.796 1.00 0.00 C ATOM 0 H ILE A 54 -6.004 6.887 -19.214 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.378 8.580 -16.927 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.044 8.473 -17.120 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.899 8.353 -19.583 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.781 7.269 -18.779 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.494 6.097 -16.664 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.976 6.617 -15.827 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.087 5.621 -17.298 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.797 6.199 -20.718 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.284 5.369 -19.221 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.419 6.470 -20.037 1.00 0.00 H new ATOM 829 N ASP A 55 -4.731 10.461 -18.587 1.00 0.00 N ATOM 830 CA ASP A 55 -4.675 11.568 -19.531 1.00 0.00 C ATOM 831 C ASP A 55 -3.402 11.482 -20.352 1.00 0.00 C ATOM 832 O ASP A 55 -2.396 10.930 -19.902 1.00 0.00 O ATOM 833 CB ASP A 55 -4.703 12.907 -18.791 1.00 0.00 C ATOM 834 CG ASP A 55 -6.052 13.596 -18.843 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.288 14.388 -19.780 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.871 13.377 -17.928 1.00 0.00 O ATOM 0 H ASP A 55 -4.514 10.720 -17.625 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.543 11.504 -20.187 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.427 12.744 -17.749 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.950 13.567 -19.221 1.00 0.00 H new ATOM 841 N VAL A 56 -3.445 12.022 -21.552 1.00 0.00 N ATOM 842 CA VAL A 56 -2.274 12.043 -22.413 1.00 0.00 C ATOM 843 C VAL A 56 -1.989 13.472 -22.860 1.00 0.00 C ATOM 844 O VAL A 56 -2.914 14.254 -23.074 1.00 0.00 O ATOM 845 CB VAL A 56 -2.474 11.141 -23.650 1.00 0.00 C ATOM 846 CG1 VAL A 56 -1.249 11.160 -24.553 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.803 9.718 -23.230 1.00 0.00 C ATOM 0 H VAL A 56 -4.276 12.453 -21.956 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.427 11.659 -21.844 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.315 11.539 -24.217 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.422 10.515 -25.415 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.064 12.179 -24.894 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.383 10.800 -23.998 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.940 9.099 -24.117 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.985 9.317 -22.631 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.720 9.715 -22.641 1.00 0.00 H new ATOM 857 N VAL A 57 -0.715 13.817 -22.967 1.00 0.00 N ATOM 858 CA VAL A 57 -0.314 15.137 -23.437 1.00 0.00 C ATOM 859 C VAL A 57 0.159 15.056 -24.884 1.00 0.00 C ATOM 860 O VAL A 57 1.230 14.516 -25.167 1.00 0.00 O ATOM 861 CB VAL A 57 0.809 15.737 -22.563 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.183 17.134 -23.038 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.394 15.767 -21.102 1.00 0.00 C ATOM 0 H VAL A 57 0.063 13.199 -22.734 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.185 15.789 -23.368 1.00 0.00 H new ATOM 0 HB VAL A 57 1.687 15.098 -22.660 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.976 17.533 -22.405 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.531 17.086 -24.070 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.310 17.784 -22.979 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.199 16.193 -20.504 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.503 16.377 -20.991 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.187 14.752 -20.762 1.00 0.00 H new ATOM 873 N PHE A 58 -0.645 15.578 -25.795 1.00 0.00 N ATOM 874 CA PHE A 58 -0.327 15.518 -27.215 1.00 0.00 C ATOM 875 C PHE A 58 -0.062 16.917 -27.751 1.00 0.00 C ATOM 876 O PHE A 58 -0.404 17.911 -27.106 1.00 0.00 O ATOM 877 CB PHE A 58 -1.474 14.863 -28.002 1.00 0.00 C ATOM 878 CG PHE A 58 -2.681 15.750 -28.188 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.613 15.905 -27.177 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.880 16.426 -29.384 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.719 16.716 -27.353 1.00 0.00 C ATOM 882 CE2 PHE A 58 -3.983 17.238 -29.564 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.903 17.383 -28.547 1.00 0.00 C ATOM 0 H PHE A 58 -1.524 16.049 -25.578 1.00 0.00 H new ATOM 0 HA PHE A 58 0.570 14.911 -27.341 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.103 14.563 -28.982 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.781 13.954 -27.486 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.475 15.387 -26.240 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.163 16.316 -30.184 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.439 16.827 -26.556 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.125 17.758 -30.500 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.766 18.017 -28.685 1.00 0.00 H new ATOM 893 N ASP A 59 0.540 16.996 -28.927 1.00 0.00 N ATOM 894 CA ASP A 59 0.776 18.277 -29.571 1.00 0.00 C ATOM 895 C ASP A 59 0.438 18.184 -31.045 1.00 0.00 C ATOM 896 O ASP A 59 0.420 17.091 -31.618 1.00 0.00 O ATOM 897 CB ASP A 59 2.232 18.711 -29.420 1.00 0.00 C ATOM 898 CG ASP A 59 2.402 20.211 -29.568 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.317 20.715 -30.706 1.00 0.00 O ATOM 900 OD2 ASP A 59 2.618 20.892 -28.541 1.00 0.00 O ATOM 0 H ASP A 59 0.874 16.189 -29.454 1.00 0.00 H new ATOM 0 HA ASP A 59 0.138 19.017 -29.087 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.602 18.400 -28.443 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.840 18.203 -30.168 1.00 0.00 H new ATOM 905 N LYS A 60 0.174 19.328 -31.654 1.00 0.00 N ATOM 906 CA LYS A 60 -0.087 19.402 -33.078 1.00 0.00 C ATOM 907 C LYS A 60 1.155 18.979 -33.852 1.00 0.00 C ATOM 908 O LYS A 60 1.058 18.364 -34.917 1.00 0.00 O ATOM 909 CB LYS A 60 -0.511 20.820 -33.481 1.00 0.00 C ATOM 910 CG LYS A 60 -1.916 21.209 -33.029 1.00 0.00 C ATOM 911 CD LYS A 60 -2.021 21.358 -31.517 1.00 0.00 C ATOM 912 CE LYS A 60 -3.454 21.620 -31.081 1.00 0.00 C ATOM 913 NZ LYS A 60 -3.575 21.766 -29.605 1.00 0.00 N ATOM 0 H LYS A 60 0.135 20.228 -31.175 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.906 18.724 -33.319 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.202 21.532 -33.065 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.454 20.909 -34.566 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.200 22.148 -33.504 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.625 20.453 -33.367 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.653 20.453 -31.035 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.383 22.178 -31.186 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -3.819 22.526 -31.565 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.090 20.801 -31.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.569 21.943 -29.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.251 20.893 -29.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.990 22.564 -29.286 1.00 0.00 H new ATOM 927 N GLU A 61 2.321 19.302 -33.293 1.00 0.00 N ATOM 928 CA GLU A 61 3.594 18.908 -33.880 1.00 0.00 C ATOM 929 C GLU A 61 3.686 17.392 -33.968 1.00 0.00 C ATOM 930 O GLU A 61 3.923 16.835 -35.043 1.00 0.00 O ATOM 931 CB GLU A 61 4.761 19.427 -33.038 1.00 0.00 C ATOM 932 CG GLU A 61 4.733 20.922 -32.782 1.00 0.00 C ATOM 933 CD GLU A 61 5.946 21.391 -32.005 1.00 0.00 C ATOM 934 OE1 GLU A 61 6.072 21.034 -30.814 1.00 0.00 O ATOM 935 OE2 GLU A 61 6.787 22.104 -32.592 1.00 0.00 O ATOM 0 H GLU A 61 2.406 19.838 -32.430 1.00 0.00 H new ATOM 0 HA GLU A 61 3.651 19.339 -34.879 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.762 18.907 -32.080 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.695 19.174 -33.539 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.686 21.451 -33.734 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.829 21.178 -32.230 1.00 0.00 H new ATOM 942 N ASP A 62 3.480 16.736 -32.827 1.00 0.00 N ATOM 943 CA ASP A 62 3.600 15.283 -32.733 1.00 0.00 C ATOM 944 C ASP A 62 2.600 14.581 -33.639 1.00 0.00 C ATOM 945 O ASP A 62 2.944 13.622 -34.334 1.00 0.00 O ATOM 946 CB ASP A 62 3.392 14.822 -31.290 1.00 0.00 C ATOM 947 CG ASP A 62 4.457 15.345 -30.348 1.00 0.00 C ATOM 948 OD1 ASP A 62 4.297 16.471 -29.832 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.455 14.633 -30.113 1.00 0.00 O ATOM 0 H ASP A 62 3.228 17.192 -31.950 1.00 0.00 H new ATOM 0 HA ASP A 62 4.606 15.017 -33.059 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.413 15.154 -30.945 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.388 13.732 -31.258 1.00 0.00 H new ATOM 954 N LEU A 63 1.361 15.066 -33.636 1.00 0.00 N ATOM 955 CA LEU A 63 0.307 14.462 -34.442 1.00 0.00 C ATOM 956 C LEU A 63 0.659 14.491 -35.925 1.00 0.00 C ATOM 957 O LEU A 63 0.577 13.470 -36.596 1.00 0.00 O ATOM 958 CB LEU A 63 -1.033 15.166 -34.216 1.00 0.00 C ATOM 959 CG LEU A 63 -1.639 15.001 -32.822 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.046 15.574 -32.795 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.646 13.537 -32.405 1.00 0.00 C ATOM 0 H LEU A 63 1.064 15.872 -33.086 1.00 0.00 H new ATOM 0 HA LEU A 63 0.216 13.423 -34.125 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.902 16.230 -34.412 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.747 14.793 -34.950 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.024 15.550 -32.108 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.470 15.452 -31.798 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.012 16.634 -33.048 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.667 15.048 -33.520 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.082 13.444 -31.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.237 12.959 -33.115 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.624 13.158 -32.391 1.00 0.00 H new ATOM 973 N ALA A 64 1.062 15.657 -36.422 1.00 0.00 N ATOM 974 CA ALA A 64 1.396 15.817 -37.836 1.00 0.00 C ATOM 975 C ALA A 64 2.545 14.898 -38.244 1.00 0.00 C ATOM 976 O ALA A 64 2.546 14.339 -39.343 1.00 0.00 O ATOM 977 CB ALA A 64 1.748 17.267 -38.130 1.00 0.00 C ATOM 0 H ALA A 64 1.166 16.506 -35.867 1.00 0.00 H new ATOM 0 HA ALA A 64 0.521 15.537 -38.423 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.995 17.374 -39.186 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.897 17.904 -37.890 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.605 17.563 -37.525 1.00 0.00 H new ATOM 983 N GLU A 65 3.504 14.736 -37.339 1.00 0.00 N ATOM 984 CA GLU A 65 4.673 13.899 -37.584 1.00 0.00 C ATOM 985 C GLU A 65 4.261 12.433 -37.722 1.00 0.00 C ATOM 986 O GLU A 65 4.562 11.779 -38.721 1.00 0.00 O ATOM 987 CB GLU A 65 5.666 14.059 -36.426 1.00 0.00 C ATOM 988 CG GLU A 65 7.016 13.399 -36.662 1.00 0.00 C ATOM 989 CD GLU A 65 7.808 14.085 -37.752 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.278 15.221 -37.526 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.979 13.491 -38.838 1.00 0.00 O ATOM 0 H GLU A 65 3.494 15.178 -36.420 1.00 0.00 H new ATOM 0 HA GLU A 65 5.146 14.213 -38.514 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.822 15.122 -36.241 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.223 13.640 -35.523 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.591 13.411 -35.736 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.865 12.353 -36.929 1.00 0.00 H new ATOM 998 N TYR A 66 3.542 11.935 -36.724 1.00 0.00 N ATOM 999 CA TYR A 66 3.107 10.544 -36.713 1.00 0.00 C ATOM 1000 C TYR A 66 2.060 10.279 -37.787 1.00 0.00 C ATOM 1001 O TYR A 66 2.000 9.181 -38.344 1.00 0.00 O ATOM 1002 CB TYR A 66 2.586 10.149 -35.332 1.00 0.00 C ATOM 1003 CG TYR A 66 3.694 9.953 -34.318 1.00 0.00 C ATOM 1004 CD1 TYR A 66 4.602 8.910 -34.460 1.00 0.00 C ATOM 1005 CD2 TYR A 66 3.835 10.800 -33.225 1.00 0.00 C ATOM 1006 CE1 TYR A 66 5.616 8.716 -33.544 1.00 0.00 C ATOM 1007 CE2 TYR A 66 4.851 10.611 -32.303 1.00 0.00 C ATOM 1008 CZ TYR A 66 5.737 9.567 -32.470 1.00 0.00 C ATOM 1009 OH TYR A 66 6.744 9.367 -31.552 1.00 0.00 O ATOM 0 H TYR A 66 3.247 12.475 -35.910 1.00 0.00 H new ATOM 0 HA TYR A 66 3.974 9.924 -36.940 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.904 10.919 -34.973 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.010 9.227 -35.416 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.512 8.240 -35.302 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.142 11.618 -33.093 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.312 7.899 -33.670 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.949 11.277 -31.458 1.00 0.00 H new ATOM 0 HH TYR A 66 6.693 10.054 -30.855 1.00 0.00 H new ATOM 1019 N TYR A 67 1.225 11.279 -38.055 1.00 0.00 N ATOM 1020 CA TYR A 67 0.234 11.195 -39.124 1.00 0.00 C ATOM 1021 C TYR A 67 0.886 10.780 -40.440 1.00 0.00 C ATOM 1022 O TYR A 67 0.387 9.889 -41.130 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.508 12.537 -39.262 1.00 0.00 C ATOM 1024 CG TYR A 67 -0.790 12.975 -40.683 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -1.726 12.319 -41.477 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.108 14.054 -41.229 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -1.968 12.729 -42.775 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -0.346 14.469 -42.521 1.00 0.00 C ATOM 1029 CZ TYR A 67 -1.273 13.804 -43.291 1.00 0.00 C ATOM 1030 OH TYR A 67 -1.504 14.215 -44.584 1.00 0.00 O ATOM 0 H TYR A 67 1.215 12.161 -37.544 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.495 10.427 -38.867 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.454 12.467 -38.726 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.081 13.311 -38.770 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.271 11.478 -41.074 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.622 14.578 -40.630 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.696 12.211 -43.381 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.192 15.312 -42.928 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.933 14.985 -44.790 1.00 0.00 H new ATOM 1040 N GLU A 68 2.005 11.408 -40.768 1.00 0.00 N ATOM 1041 CA GLU A 68 2.729 11.084 -41.989 1.00 0.00 C ATOM 1042 C GLU A 68 3.322 9.675 -41.917 1.00 0.00 C ATOM 1043 O GLU A 68 3.197 8.886 -42.856 1.00 0.00 O ATOM 1044 CB GLU A 68 3.839 12.108 -42.225 1.00 0.00 C ATOM 1045 CG GLU A 68 3.348 13.453 -42.739 1.00 0.00 C ATOM 1046 CD GLU A 68 2.887 13.400 -44.185 1.00 0.00 C ATOM 1047 OE1 GLU A 68 3.614 12.825 -45.022 1.00 0.00 O ATOM 1048 OE2 GLU A 68 1.802 13.936 -44.492 1.00 0.00 O ATOM 0 H GLU A 68 2.432 12.145 -40.206 1.00 0.00 H new ATOM 0 HA GLU A 68 2.027 11.116 -42.822 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.379 12.264 -41.291 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.551 11.697 -42.940 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.525 13.797 -42.113 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.149 14.187 -42.645 1.00 0.00 H new ATOM 1055 N GLU A 69 3.945 9.363 -40.786 1.00 0.00 N ATOM 1056 CA GLU A 69 4.603 8.074 -40.587 1.00 0.00 C ATOM 1057 C GLU A 69 3.619 6.914 -40.678 1.00 0.00 C ATOM 1058 O GLU A 69 3.855 5.941 -41.398 1.00 0.00 O ATOM 1059 CB GLU A 69 5.308 8.053 -39.231 1.00 0.00 C ATOM 1060 CG GLU A 69 6.485 9.008 -39.156 1.00 0.00 C ATOM 1061 CD GLU A 69 7.564 8.671 -40.162 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.432 9.049 -41.344 1.00 0.00 O ATOM 1063 OE2 GLU A 69 8.555 8.019 -39.774 1.00 0.00 O ATOM 0 H GLU A 69 4.009 9.991 -39.985 1.00 0.00 H new ATOM 0 HA GLU A 69 5.336 7.950 -41.385 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.590 8.309 -38.451 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.656 7.041 -39.025 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.136 10.026 -39.329 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.907 8.982 -38.151 1.00 0.00 H new ATOM 1070 N ALA A 70 2.516 7.024 -39.956 1.00 0.00 N ATOM 1071 CA ALA A 70 1.527 5.958 -39.908 1.00 0.00 C ATOM 1072 C ALA A 70 0.664 5.952 -41.166 1.00 0.00 C ATOM 1073 O ALA A 70 0.042 4.944 -41.495 1.00 0.00 O ATOM 1074 CB ALA A 70 0.656 6.101 -38.669 1.00 0.00 C ATOM 0 H ALA A 70 2.282 7.842 -39.394 1.00 0.00 H new ATOM 0 HA ALA A 70 2.057 5.007 -39.858 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.079 5.297 -38.646 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.280 6.047 -37.777 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.142 7.062 -38.695 1.00 0.00 H new ATOM 1080 N GLY A 71 0.632 7.081 -41.864 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.191 7.194 -43.051 1.00 0.00 C ATOM 1082 C GLY A 71 -1.643 7.382 -42.682 1.00 0.00 C ATOM 1083 O GLY A 71 -2.529 6.724 -43.237 1.00 0.00 O ATOM 0 H GLY A 71 1.162 7.920 -41.628 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.147 8.036 -43.654 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.080 6.299 -43.663 1.00 0.00 H new