USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=19 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 25 CYS SG : rot -95:sc= 0.559 USER MOD Set 1.2: A 27 CYS SG : rot -44:sc= 0.328 USER MOD Set 1.3: A 47 CYS SG : rot -117:sc= -0.21 USER MOD Set 1.4: A 50 CYS SG : rot -154:sc= 0.0948 USER MOD Set 2.1: A 20 MET CE :methyl -137:sc= 0 (180deg=-1.1) USER MOD Set 2.2: A 32 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.026) USER MOD Single : A 3 THR OG1 : rot 154:sc= 1.21 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -154:sc= -0.304 (180deg=-1.01) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.205 X(o=0.2,f=-0.06) USER MOD Single : A 19 GLN : amide:sc= 1.05 K(o=1.1,f=-0.14) USER MOD Single : A 22 THR OG1 : rot -146:sc= 0.286 USER MOD Single : A 23 TYR OH : rot 37:sc= 0.0404 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -162:sc= -2.05 (180deg=-2.79!) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 2.3 (180deg=2.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -142:sc= -0.384 (180deg=-1.52!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -120:sc=7.36e-05 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -9.290 10.358 -14.626 1.00 0.00 N ATOM 30 CA THR A 3 -7.914 10.200 -15.054 1.00 0.00 C ATOM 31 C THR A 3 -6.968 10.842 -14.044 1.00 0.00 C ATOM 32 O THR A 3 -6.911 12.064 -13.917 1.00 0.00 O ATOM 33 CB THR A 3 -7.702 10.811 -16.449 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.289 12.116 -16.513 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.317 9.919 -17.513 1.00 0.00 C ATOM 0 HA THR A 3 -7.694 9.134 -15.112 1.00 0.00 H new ATOM 0 HB THR A 3 -6.631 10.894 -16.631 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.829 12.649 -17.195 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.160 10.363 -18.496 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.847 8.936 -17.480 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.386 9.816 -17.328 1.00 0.00 H new ATOM 43 N TYR A 4 -6.248 10.008 -13.309 1.00 0.00 N ATOM 44 CA TYR A 4 -5.389 10.491 -12.230 1.00 0.00 C ATOM 45 C TYR A 4 -3.935 10.607 -12.679 1.00 0.00 C ATOM 46 O TYR A 4 -3.069 11.020 -11.906 1.00 0.00 O ATOM 47 CB TYR A 4 -5.496 9.570 -11.011 1.00 0.00 C ATOM 48 CG TYR A 4 -6.893 9.489 -10.434 1.00 0.00 C ATOM 49 CD1 TYR A 4 -7.399 10.513 -9.643 1.00 0.00 C ATOM 50 CD2 TYR A 4 -7.705 8.392 -10.686 1.00 0.00 C ATOM 51 CE1 TYR A 4 -8.674 10.443 -9.117 1.00 0.00 C ATOM 52 CE2 TYR A 4 -8.983 8.317 -10.164 1.00 0.00 C ATOM 53 CZ TYR A 4 -9.462 9.344 -9.381 1.00 0.00 C ATOM 54 OH TYR A 4 -10.733 9.276 -8.859 1.00 0.00 O ATOM 0 H TYR A 4 -6.239 8.996 -13.437 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.733 11.488 -11.954 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.170 8.569 -11.293 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.813 9.923 -10.238 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.786 11.377 -9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.333 7.585 -11.299 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.052 11.246 -8.502 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.603 7.457 -10.369 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.157 8.438 -9.139 1.00 0.00 H new ATOM 64 N ASP A 5 -3.677 10.256 -13.930 1.00 0.00 N ATOM 65 CA ASP A 5 -2.336 10.355 -14.494 1.00 0.00 C ATOM 66 C ASP A 5 -2.383 10.995 -15.870 1.00 0.00 C ATOM 67 O ASP A 5 -3.444 11.055 -16.498 1.00 0.00 O ATOM 68 CB ASP A 5 -1.668 8.980 -14.582 1.00 0.00 C ATOM 69 CG ASP A 5 -0.864 8.637 -13.343 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.306 9.075 -13.248 1.00 0.00 O ATOM 71 OD2 ASP A 5 -1.378 7.914 -12.471 1.00 0.00 O ATOM 0 H ASP A 5 -4.380 9.899 -14.577 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.743 10.983 -13.829 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.433 8.219 -14.736 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.013 8.954 -15.453 1.00 0.00 H new ATOM 76 N GLU A 6 -1.232 11.457 -16.333 1.00 0.00 N ATOM 77 CA GLU A 6 -1.127 12.149 -17.610 1.00 0.00 C ATOM 78 C GLU A 6 0.318 12.115 -18.101 1.00 0.00 C ATOM 79 O GLU A 6 1.220 12.606 -17.422 1.00 0.00 O ATOM 80 CB GLU A 6 -1.615 13.596 -17.462 1.00 0.00 C ATOM 81 CG GLU A 6 -1.478 14.431 -18.723 1.00 0.00 C ATOM 82 CD GLU A 6 -2.114 15.796 -18.583 1.00 0.00 C ATOM 83 OE1 GLU A 6 -1.806 16.506 -17.602 1.00 0.00 O ATOM 84 OE2 GLU A 6 -2.920 16.175 -19.456 1.00 0.00 O ATOM 0 H GLU A 6 -0.346 11.364 -15.836 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.755 11.646 -18.345 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.662 13.585 -17.159 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.055 14.076 -16.659 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.422 14.549 -18.965 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.939 13.902 -19.557 1.00 0.00 H new ATOM 91 N ILE A 7 0.544 11.531 -19.273 1.00 0.00 N ATOM 92 CA ILE A 7 1.903 11.372 -19.781 1.00 0.00 C ATOM 93 C ILE A 7 2.046 12.082 -21.121 1.00 0.00 C ATOM 94 O ILE A 7 1.051 12.386 -21.775 1.00 0.00 O ATOM 95 CB ILE A 7 2.305 9.885 -19.965 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.776 9.015 -18.826 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.818 9.744 -20.051 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.435 8.394 -19.120 1.00 0.00 C ATOM 0 H ILE A 7 -0.186 11.164 -19.883 1.00 0.00 H new ATOM 0 HA ILE A 7 2.566 11.812 -19.036 1.00 0.00 H new ATOM 0 HB ILE A 7 1.856 9.543 -20.897 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.497 8.224 -18.618 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.698 9.620 -17.923 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.079 8.694 -20.180 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.189 10.317 -20.901 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.271 10.120 -19.134 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.119 7.790 -18.269 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.299 9.180 -19.299 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.513 7.762 -20.005 1.00 0.00 H new ATOM 110 N GLU A 8 3.281 12.347 -21.520 1.00 0.00 N ATOM 111 CA GLU A 8 3.554 12.972 -22.803 1.00 0.00 C ATOM 112 C GLU A 8 3.345 11.973 -23.935 1.00 0.00 C ATOM 113 O GLU A 8 3.602 10.777 -23.773 1.00 0.00 O ATOM 114 CB GLU A 8 4.985 13.501 -22.835 1.00 0.00 C ATOM 115 CG GLU A 8 5.308 14.449 -21.694 1.00 0.00 C ATOM 116 CD GLU A 8 6.728 14.967 -21.758 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.657 14.215 -21.399 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.921 16.130 -22.159 1.00 0.00 O ATOM 0 H GLU A 8 4.113 12.137 -20.969 1.00 0.00 H new ATOM 0 HA GLU A 8 2.864 13.805 -22.937 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.676 12.658 -22.803 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.153 14.015 -23.782 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.616 15.291 -21.718 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.154 13.936 -20.745 1.00 0.00 H new ATOM 125 N ILE A 9 2.891 12.468 -25.078 1.00 0.00 N ATOM 126 CA ILE A 9 2.621 11.627 -26.238 1.00 0.00 C ATOM 127 C ILE A 9 3.880 10.883 -26.695 1.00 0.00 C ATOM 128 O ILE A 9 3.802 9.771 -27.215 1.00 0.00 O ATOM 129 CB ILE A 9 2.042 12.468 -27.405 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.715 11.585 -28.607 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.003 13.578 -27.806 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.035 12.326 -29.741 1.00 0.00 C ATOM 0 H ILE A 9 2.700 13.459 -25.228 1.00 0.00 H new ATOM 0 HA ILE A 9 1.880 10.886 -25.939 1.00 0.00 H new ATOM 0 HB ILE A 9 1.117 12.926 -27.056 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.636 11.137 -28.979 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.072 10.767 -28.282 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.573 14.153 -28.626 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.176 14.235 -26.954 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.950 13.142 -28.126 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.834 11.634 -30.559 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.096 12.751 -29.386 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.685 13.126 -30.094 1.00 0.00 H new ATOM 144 N GLU A 10 5.038 11.492 -26.464 1.00 0.00 N ATOM 145 CA GLU A 10 6.313 10.907 -26.871 1.00 0.00 C ATOM 146 C GLU A 10 6.655 9.657 -26.055 1.00 0.00 C ATOM 147 O GLU A 10 7.344 8.765 -26.545 1.00 0.00 O ATOM 148 CB GLU A 10 7.440 11.938 -26.761 1.00 0.00 C ATOM 149 CG GLU A 10 7.572 12.567 -25.387 1.00 0.00 C ATOM 150 CD GLU A 10 8.772 13.485 -25.289 1.00 0.00 C ATOM 151 OE1 GLU A 10 9.867 12.996 -24.943 1.00 0.00 O ATOM 152 OE2 GLU A 10 8.628 14.692 -25.557 1.00 0.00 O ATOM 0 H GLU A 10 5.121 12.394 -25.995 1.00 0.00 H new ATOM 0 HA GLU A 10 6.211 10.603 -27.913 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.383 11.458 -27.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.270 12.726 -27.495 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.667 13.130 -25.159 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.656 11.781 -24.636 1.00 0.00 H new ATOM 159 N ASP A 11 6.169 9.586 -24.815 1.00 0.00 N ATOM 160 CA ASP A 11 6.462 8.442 -23.950 1.00 0.00 C ATOM 161 C ASP A 11 5.569 7.260 -24.315 1.00 0.00 C ATOM 162 O ASP A 11 5.961 6.101 -24.172 1.00 0.00 O ATOM 163 CB ASP A 11 6.277 8.811 -22.473 1.00 0.00 C ATOM 164 CG ASP A 11 6.695 7.694 -21.531 1.00 0.00 C ATOM 165 OD1 ASP A 11 7.912 7.438 -21.398 1.00 0.00 O ATOM 166 OD2 ASP A 11 5.815 7.075 -20.898 1.00 0.00 O ATOM 0 H ASP A 11 5.577 10.299 -24.390 1.00 0.00 H new ATOM 0 HA ASP A 11 7.503 8.158 -24.103 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.860 9.705 -22.251 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.231 9.059 -22.293 1.00 0.00 H new ATOM 171 N MET A 12 4.364 7.569 -24.784 1.00 0.00 N ATOM 172 CA MET A 12 3.447 6.552 -25.288 1.00 0.00 C ATOM 173 C MET A 12 4.044 5.875 -26.517 1.00 0.00 C ATOM 174 O MET A 12 4.455 6.546 -27.462 1.00 0.00 O ATOM 175 CB MET A 12 2.105 7.188 -25.650 1.00 0.00 C ATOM 176 CG MET A 12 1.330 7.716 -24.455 1.00 0.00 C ATOM 177 SD MET A 12 0.602 6.401 -23.460 1.00 0.00 S ATOM 178 CE MET A 12 -0.540 5.680 -24.640 1.00 0.00 C ATOM 0 H MET A 12 3.998 8.520 -24.826 1.00 0.00 H new ATOM 0 HA MET A 12 3.289 5.805 -24.510 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.279 8.007 -26.348 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.493 6.451 -26.170 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.995 8.312 -23.831 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.540 8.381 -24.805 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.361 5.202 -24.106 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.935 6.462 -25.288 1.00 0.00 H new ATOM 0 HE3 MET A 12 -0.019 4.937 -25.244 1.00 0.00 H new ATOM 188 N THR A 13 4.091 4.551 -26.506 1.00 0.00 N ATOM 189 CA THR A 13 4.683 3.805 -27.604 1.00 0.00 C ATOM 190 C THR A 13 3.791 3.859 -28.843 1.00 0.00 C ATOM 191 O THR A 13 2.636 3.431 -28.817 1.00 0.00 O ATOM 192 CB THR A 13 4.949 2.342 -27.199 1.00 0.00 C ATOM 193 OG1 THR A 13 5.819 2.320 -26.059 1.00 0.00 O ATOM 194 CG2 THR A 13 5.585 1.558 -28.340 1.00 0.00 C ATOM 0 H THR A 13 3.726 3.973 -25.749 1.00 0.00 H new ATOM 0 HA THR A 13 5.638 4.272 -27.846 1.00 0.00 H new ATOM 0 HB THR A 13 3.996 1.873 -26.956 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.990 1.392 -25.796 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.760 0.530 -28.022 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.917 1.563 -29.201 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.534 2.019 -28.614 1.00 0.00 H new ATOM 202 N PHE A 14 4.337 4.408 -29.918 1.00 0.00 N ATOM 203 CA PHE A 14 3.594 4.584 -31.155 1.00 0.00 C ATOM 204 C PHE A 14 3.421 3.256 -31.883 1.00 0.00 C ATOM 205 O PHE A 14 4.342 2.437 -31.935 1.00 0.00 O ATOM 206 CB PHE A 14 4.304 5.600 -32.061 1.00 0.00 C ATOM 207 CG PHE A 14 5.701 5.204 -32.472 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.773 5.389 -31.611 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.941 4.653 -33.723 1.00 0.00 C ATOM 210 CE1 PHE A 14 8.053 5.031 -31.989 1.00 0.00 C ATOM 211 CE2 PHE A 14 7.220 4.292 -34.104 1.00 0.00 C ATOM 212 CZ PHE A 14 8.276 4.481 -33.236 1.00 0.00 C ATOM 0 H PHE A 14 5.300 4.741 -29.957 1.00 0.00 H new ATOM 0 HA PHE A 14 2.604 4.965 -30.905 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.704 5.749 -32.958 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.349 6.559 -31.545 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.605 5.818 -30.634 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.119 4.504 -34.407 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.879 5.181 -31.309 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.392 3.863 -35.080 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.276 4.199 -33.532 1.00 0.00 H new ATOM 222 N GLU A 15 2.233 3.042 -32.427 1.00 0.00 N ATOM 223 CA GLU A 15 1.955 1.847 -33.200 1.00 0.00 C ATOM 224 C GLU A 15 1.336 2.228 -34.541 1.00 0.00 C ATOM 225 O GLU A 15 0.110 2.311 -34.680 1.00 0.00 O ATOM 226 CB GLU A 15 1.038 0.898 -32.426 1.00 0.00 C ATOM 227 CG GLU A 15 0.880 -0.457 -33.087 1.00 0.00 C ATOM 228 CD GLU A 15 0.025 -1.412 -32.281 1.00 0.00 C ATOM 229 OE1 GLU A 15 0.017 -1.303 -31.034 1.00 0.00 O ATOM 230 OE2 GLU A 15 -0.642 -2.275 -32.888 1.00 0.00 O ATOM 0 H GLU A 15 1.445 3.684 -32.346 1.00 0.00 H new ATOM 0 HA GLU A 15 2.893 1.324 -33.384 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.436 0.760 -31.421 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.056 1.359 -32.320 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.436 -0.324 -34.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.865 -0.899 -33.238 1.00 0.00 H new ATOM 237 N PRO A 16 2.194 2.485 -35.544 1.00 0.00 N ATOM 238 CA PRO A 16 1.768 2.949 -36.868 1.00 0.00 C ATOM 239 C PRO A 16 0.832 1.972 -37.565 1.00 0.00 C ATOM 240 O PRO A 16 -0.072 2.383 -38.288 1.00 0.00 O ATOM 241 CB PRO A 16 3.080 3.088 -37.654 1.00 0.00 C ATOM 242 CG PRO A 16 4.081 2.288 -36.896 1.00 0.00 C ATOM 243 CD PRO A 16 3.659 2.352 -35.459 1.00 0.00 C ATOM 0 HA PRO A 16 1.201 3.877 -36.797 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.969 2.716 -38.672 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.385 4.132 -37.728 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.105 1.257 -37.250 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.084 2.694 -37.026 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.951 1.455 -34.913 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.111 3.200 -34.944 1.00 0.00 H new ATOM 251 N GLU A 17 1.034 0.681 -37.319 1.00 0.00 N ATOM 252 CA GLU A 17 0.252 -0.361 -37.982 1.00 0.00 C ATOM 253 C GLU A 17 -1.232 -0.266 -37.636 1.00 0.00 C ATOM 254 O GLU A 17 -2.086 -0.649 -38.432 1.00 0.00 O ATOM 255 CB GLU A 17 0.787 -1.742 -37.610 1.00 0.00 C ATOM 256 CG GLU A 17 2.183 -2.019 -38.141 1.00 0.00 C ATOM 257 CD GLU A 17 2.736 -3.346 -37.667 1.00 0.00 C ATOM 258 OE1 GLU A 17 2.411 -4.389 -38.277 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.497 -3.357 -36.676 1.00 0.00 O ATOM 0 H GLU A 17 1.733 0.330 -36.665 1.00 0.00 H new ATOM 0 HA GLU A 17 0.353 -0.211 -39.057 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.795 -1.839 -36.524 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.105 -2.501 -37.993 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.162 -2.007 -39.231 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.852 -1.218 -37.827 1.00 0.00 H new ATOM 266 N ASN A 18 -1.539 0.250 -36.454 1.00 0.00 N ATOM 267 CA ASN A 18 -2.929 0.404 -36.030 1.00 0.00 C ATOM 268 C ASN A 18 -3.309 1.876 -35.918 1.00 0.00 C ATOM 269 O ASN A 18 -4.416 2.209 -35.495 1.00 0.00 O ATOM 270 CB ASN A 18 -3.178 -0.313 -34.700 1.00 0.00 C ATOM 271 CG ASN A 18 -3.518 -1.781 -34.887 1.00 0.00 C ATOM 272 OD1 ASN A 18 -4.683 -2.140 -35.061 1.00 0.00 O ATOM 273 ND2 ASN A 18 -2.518 -2.644 -34.825 1.00 0.00 N ATOM 0 H ASN A 18 -0.850 0.569 -35.773 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.559 -0.054 -36.792 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.291 -0.226 -34.072 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.993 0.181 -34.171 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.700 -3.643 -34.922 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.565 -2.311 -34.680 1.00 0.00 H new ATOM 280 N GLN A 19 -2.378 2.747 -36.313 1.00 0.00 N ATOM 281 CA GLN A 19 -2.590 4.197 -36.294 1.00 0.00 C ATOM 282 C GLN A 19 -2.907 4.697 -34.881 1.00 0.00 C ATOM 283 O GLN A 19 -3.627 5.683 -34.718 1.00 0.00 O ATOM 284 CB GLN A 19 -3.734 4.610 -37.238 1.00 0.00 C ATOM 285 CG GLN A 19 -3.452 4.436 -38.728 1.00 0.00 C ATOM 286 CD GLN A 19 -3.649 3.015 -39.224 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.759 2.612 -39.566 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.570 2.259 -39.307 1.00 0.00 N ATOM 0 H GLN A 19 -1.458 2.469 -36.654 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.661 4.653 -36.636 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.620 4.028 -36.983 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.976 5.656 -37.052 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.104 5.102 -39.293 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.427 4.744 -38.933 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.665 2.628 -39.014 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.641 1.306 -39.664 1.00 0.00 H new ATOM 297 N MET A 20 -2.350 4.050 -33.862 1.00 0.00 N ATOM 298 CA MET A 20 -2.702 4.393 -32.488 1.00 0.00 C ATOM 299 C MET A 20 -1.503 4.254 -31.563 1.00 0.00 C ATOM 300 O MET A 20 -0.544 3.555 -31.877 1.00 0.00 O ATOM 301 CB MET A 20 -3.840 3.497 -31.985 1.00 0.00 C ATOM 302 CG MET A 20 -3.447 2.035 -31.857 1.00 0.00 C ATOM 303 SD MET A 20 -4.755 1.017 -31.150 1.00 0.00 S ATOM 304 CE MET A 20 -3.939 -0.577 -31.096 1.00 0.00 C ATOM 0 H MET A 20 -1.666 3.299 -33.957 1.00 0.00 H new ATOM 0 HA MET A 20 -3.030 5.432 -32.482 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.177 3.861 -31.014 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.686 3.580 -32.667 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.183 1.647 -32.841 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.556 1.957 -31.234 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.629 -1.351 -31.433 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.065 -0.561 -31.748 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.626 -0.791 -30.074 1.00 0.00 H new ATOM 314 N PHE A 21 -1.564 4.924 -30.426 1.00 0.00 N ATOM 315 CA PHE A 21 -0.525 4.803 -29.416 1.00 0.00 C ATOM 316 C PHE A 21 -0.915 3.742 -28.405 1.00 0.00 C ATOM 317 O PHE A 21 -2.086 3.620 -28.040 1.00 0.00 O ATOM 318 CB PHE A 21 -0.290 6.138 -28.704 1.00 0.00 C ATOM 319 CG PHE A 21 0.359 7.181 -29.566 1.00 0.00 C ATOM 320 CD1 PHE A 21 1.740 7.276 -29.633 1.00 0.00 C ATOM 321 CD2 PHE A 21 -0.408 8.069 -30.304 1.00 0.00 C ATOM 322 CE1 PHE A 21 2.344 8.235 -30.420 1.00 0.00 C ATOM 323 CE2 PHE A 21 0.191 9.028 -31.093 1.00 0.00 C ATOM 324 CZ PHE A 21 1.568 9.112 -31.152 1.00 0.00 C ATOM 0 H PHE A 21 -2.323 5.559 -30.178 1.00 0.00 H new ATOM 0 HA PHE A 21 0.402 4.514 -29.911 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.246 6.520 -28.345 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.334 5.966 -27.827 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.350 6.592 -29.063 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.485 8.009 -30.261 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.421 8.300 -30.463 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.417 9.713 -31.665 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.038 9.863 -31.770 1.00 0.00 H new ATOM 334 N THR A 22 0.064 2.975 -27.957 1.00 0.00 N ATOM 335 CA THR A 22 -0.182 1.912 -27.000 1.00 0.00 C ATOM 336 C THR A 22 0.904 1.889 -25.932 1.00 0.00 C ATOM 337 O THR A 22 2.073 2.123 -26.226 1.00 0.00 O ATOM 338 CB THR A 22 -0.262 0.537 -27.697 1.00 0.00 C ATOM 339 OG1 THR A 22 0.854 0.371 -28.587 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.562 0.396 -28.476 1.00 0.00 C ATOM 0 H THR A 22 1.039 3.070 -28.242 1.00 0.00 H new ATOM 0 HA THR A 22 -1.143 2.113 -26.526 1.00 0.00 H new ATOM 0 HB THR A 22 -0.233 -0.235 -26.928 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.574 -0.150 -29.369 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.593 -0.581 -28.958 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.407 0.492 -27.794 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.618 1.176 -29.235 1.00 0.00 H new ATOM 348 N TYR A 23 0.516 1.623 -24.696 1.00 0.00 N ATOM 349 CA TYR A 23 1.461 1.616 -23.595 1.00 0.00 C ATOM 350 C TYR A 23 1.391 0.290 -22.852 1.00 0.00 C ATOM 351 O TYR A 23 0.343 -0.069 -22.317 1.00 0.00 O ATOM 352 CB TYR A 23 1.175 2.780 -22.646 1.00 0.00 C ATOM 353 CG TYR A 23 2.351 3.158 -21.783 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.407 3.887 -22.311 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.406 2.796 -20.443 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.483 4.246 -21.530 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.482 3.151 -19.656 1.00 0.00 C ATOM 358 CZ TYR A 23 4.517 3.875 -20.205 1.00 0.00 C ATOM 359 OH TYR A 23 5.588 4.242 -19.422 1.00 0.00 O ATOM 0 H TYR A 23 -0.446 1.410 -24.431 1.00 0.00 H new ATOM 0 HA TYR A 23 2.468 1.736 -23.994 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.870 3.648 -23.231 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.334 2.517 -22.004 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.385 4.177 -23.351 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.595 2.229 -20.011 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.296 4.816 -21.955 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.513 2.863 -18.616 1.00 0.00 H new ATOM 0 HH TYR A 23 5.888 5.139 -19.678 1.00 0.00 H new ATOM 369 N PRO A 24 2.505 -0.456 -22.848 1.00 0.00 N ATOM 370 CA PRO A 24 2.600 -1.768 -22.191 1.00 0.00 C ATOM 371 C PRO A 24 2.061 -1.768 -20.761 1.00 0.00 C ATOM 372 O PRO A 24 2.567 -1.054 -19.890 1.00 0.00 O ATOM 373 CB PRO A 24 4.101 -2.054 -22.190 1.00 0.00 C ATOM 374 CG PRO A 24 4.625 -1.315 -23.372 1.00 0.00 C ATOM 375 CD PRO A 24 3.773 -0.079 -23.504 1.00 0.00 C ATOM 0 HA PRO A 24 2.001 -2.516 -22.710 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.569 -1.710 -21.268 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.301 -3.123 -22.270 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.674 -1.052 -23.234 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.566 -1.927 -24.272 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.235 0.780 -23.018 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.619 0.191 -24.549 1.00 0.00 H new ATOM 383 N CYS A 25 1.031 -2.572 -20.537 1.00 0.00 N ATOM 384 CA CYS A 25 0.413 -2.709 -19.228 1.00 0.00 C ATOM 385 C CYS A 25 0.281 -4.186 -18.882 1.00 0.00 C ATOM 386 O CYS A 25 -0.079 -4.995 -19.737 1.00 0.00 O ATOM 387 CB CYS A 25 -0.964 -2.034 -19.235 1.00 0.00 C ATOM 388 SG CYS A 25 -1.985 -2.322 -17.748 1.00 0.00 S ATOM 0 H CYS A 25 0.600 -3.148 -21.260 1.00 0.00 H new ATOM 0 HA CYS A 25 1.035 -2.225 -18.475 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.823 -0.960 -19.356 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.516 -2.383 -20.107 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.783 -3.327 -17.957 1.00 0.00 H new ATOM 393 N PRO A 26 0.618 -4.574 -17.645 1.00 0.00 N ATOM 394 CA PRO A 26 0.438 -5.936 -17.197 1.00 0.00 C ATOM 395 C PRO A 26 -0.979 -6.172 -16.686 1.00 0.00 C ATOM 396 O PRO A 26 -1.400 -5.581 -15.686 1.00 0.00 O ATOM 397 CB PRO A 26 1.456 -6.083 -16.055 1.00 0.00 C ATOM 398 CG PRO A 26 2.013 -4.711 -15.795 1.00 0.00 C ATOM 399 CD PRO A 26 1.203 -3.733 -16.601 1.00 0.00 C ATOM 0 HA PRO A 26 0.587 -6.659 -17.999 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.979 -6.483 -15.160 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.250 -6.777 -16.331 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.959 -4.470 -14.733 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.064 -4.664 -16.079 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.437 -3.248 -15.996 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.825 -2.942 -17.021 1.00 0.00 H new ATOM 407 N CYS A 27 -1.678 -7.079 -17.355 1.00 0.00 N ATOM 408 CA CYS A 27 -3.066 -7.405 -17.048 1.00 0.00 C ATOM 409 C CYS A 27 -3.573 -8.380 -18.097 1.00 0.00 C ATOM 410 O CYS A 27 -4.204 -9.394 -17.791 1.00 0.00 O ATOM 411 CB CYS A 27 -3.950 -6.141 -17.042 1.00 0.00 C ATOM 412 SG CYS A 27 -4.124 -5.333 -18.672 1.00 0.00 S ATOM 0 H CYS A 27 -1.295 -7.615 -18.134 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.116 -7.850 -16.054 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.941 -6.407 -16.675 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.531 -5.423 -16.337 1.00 0.00 H new ATOM 0 HG CYS A 27 -2.964 -5.280 -19.256 1.00 0.00 H new ATOM 417 N GLY A 28 -3.266 -8.059 -19.342 1.00 0.00 N ATOM 418 CA GLY A 28 -3.675 -8.871 -20.464 1.00 0.00 C ATOM 419 C GLY A 28 -3.646 -8.070 -21.744 1.00 0.00 C ATOM 420 O GLY A 28 -3.445 -8.617 -22.828 1.00 0.00 O ATOM 0 H GLY A 28 -2.728 -7.231 -19.598 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.015 -9.734 -20.554 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.680 -9.256 -20.293 1.00 0.00 H new ATOM 424 N ASP A 29 -3.822 -6.763 -21.611 1.00 0.00 N ATOM 425 CA ASP A 29 -3.824 -5.859 -22.754 1.00 0.00 C ATOM 426 C ASP A 29 -3.048 -4.597 -22.406 1.00 0.00 C ATOM 427 O ASP A 29 -2.544 -4.469 -21.293 1.00 0.00 O ATOM 428 CB ASP A 29 -5.250 -5.519 -23.184 1.00 0.00 C ATOM 429 CG ASP A 29 -5.382 -5.412 -24.691 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.773 -4.503 -25.290 1.00 0.00 O ATOM 431 OD2 ASP A 29 -6.103 -6.248 -25.287 1.00 0.00 O ATOM 0 H ASP A 29 -3.967 -6.301 -20.713 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.339 -6.355 -23.595 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.932 -6.285 -22.814 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.551 -4.577 -22.726 1.00 0.00 H new ATOM 436 N ARG A 30 -2.885 -3.704 -23.367 1.00 0.00 N ATOM 437 CA ARG A 30 -2.104 -2.497 -23.146 1.00 0.00 C ATOM 438 C ARG A 30 -2.951 -1.247 -23.358 1.00 0.00 C ATOM 439 O ARG A 30 -3.951 -1.289 -24.074 1.00 0.00 O ATOM 440 CB ARG A 30 -0.898 -2.483 -24.085 1.00 0.00 C ATOM 441 CG ARG A 30 -1.270 -2.579 -25.557 1.00 0.00 C ATOM 442 CD ARG A 30 -0.485 -3.675 -26.259 1.00 0.00 C ATOM 443 NE ARG A 30 -0.727 -4.988 -25.660 1.00 0.00 N ATOM 444 CZ ARG A 30 -1.214 -6.033 -26.333 1.00 0.00 C ATOM 445 NH1 ARG A 30 -1.540 -5.906 -27.613 1.00 0.00 N ATOM 446 NH2 ARG A 30 -1.377 -7.203 -25.731 1.00 0.00 N ATOM 0 H ARG A 30 -3.280 -3.790 -24.303 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.758 -2.496 -22.113 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.331 -1.566 -23.921 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.240 -3.314 -23.830 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.338 -2.777 -25.651 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.079 -1.623 -26.045 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.760 -3.701 -27.313 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.580 -3.446 -26.213 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.511 -5.112 -24.671 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.419 -5.009 -28.084 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.912 -6.705 -28.126 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.130 -7.309 -24.747 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.750 -7.997 -26.252 1.00 0.00 H new ATOM 460 N PHE A 31 -2.535 -0.138 -22.741 1.00 0.00 N ATOM 461 CA PHE A 31 -3.222 1.142 -22.903 1.00 0.00 C ATOM 462 C PHE A 31 -3.294 1.515 -24.373 1.00 0.00 C ATOM 463 O PHE A 31 -2.269 1.610 -25.042 1.00 0.00 O ATOM 464 CB PHE A 31 -2.496 2.257 -22.141 1.00 0.00 C ATOM 465 CG PHE A 31 -2.511 2.109 -20.649 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.597 2.547 -19.910 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.437 1.542 -19.983 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.612 2.418 -18.535 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.447 1.413 -18.609 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.535 1.851 -17.885 1.00 0.00 C ATOM 0 H PHE A 31 -1.724 -0.103 -22.124 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.228 1.033 -22.498 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.460 2.294 -22.478 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.951 3.213 -22.402 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.441 2.994 -20.414 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.582 1.197 -20.545 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.466 2.761 -17.969 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.603 0.969 -18.102 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.545 1.750 -16.810 1.00 0.00 H new ATOM 480 N GLN A 32 -4.499 1.728 -24.869 1.00 0.00 N ATOM 481 CA GLN A 32 -4.702 2.052 -26.270 1.00 0.00 C ATOM 482 C GLN A 32 -5.392 3.398 -26.417 1.00 0.00 C ATOM 483 O GLN A 32 -6.315 3.720 -25.666 1.00 0.00 O ATOM 484 CB GLN A 32 -5.536 0.963 -26.950 1.00 0.00 C ATOM 485 CG GLN A 32 -4.841 -0.387 -27.023 1.00 0.00 C ATOM 486 CD GLN A 32 -5.731 -1.483 -27.585 1.00 0.00 C ATOM 487 OE1 GLN A 32 -5.258 -2.398 -28.257 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.024 -1.419 -27.290 1.00 0.00 N ATOM 0 H GLN A 32 -5.357 1.682 -24.319 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.726 2.107 -26.752 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.476 0.848 -26.410 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.786 1.288 -27.960 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.949 -0.297 -27.643 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.508 -0.673 -26.025 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.382 -0.645 -26.730 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.660 -2.144 -27.623 1.00 0.00 H new ATOM 497 N ILE A 33 -4.921 4.188 -27.366 1.00 0.00 N ATOM 498 CA ILE A 33 -5.542 5.465 -27.680 1.00 0.00 C ATOM 499 C ILE A 33 -5.431 5.758 -29.173 1.00 0.00 C ATOM 500 O ILE A 33 -4.339 5.736 -29.747 1.00 0.00 O ATOM 501 CB ILE A 33 -4.922 6.623 -26.864 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.528 7.961 -27.295 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.407 6.642 -27.008 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.041 9.138 -26.481 1.00 0.00 C ATOM 0 H ILE A 33 -4.105 3.966 -27.937 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.594 5.392 -27.405 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.153 6.463 -25.811 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.293 8.135 -28.345 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.613 7.900 -27.217 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.996 7.466 -26.424 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.995 5.700 -26.646 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.143 6.774 -28.057 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.513 10.051 -26.843 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.299 8.987 -25.433 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.959 9.225 -26.579 1.00 0.00 H new ATOM 516 N TYR A 34 -6.570 6.014 -29.801 1.00 0.00 N ATOM 517 CA TYR A 34 -6.606 6.324 -31.219 1.00 0.00 C ATOM 518 C TYR A 34 -6.406 7.816 -31.437 1.00 0.00 C ATOM 519 O TYR A 34 -6.787 8.637 -30.597 1.00 0.00 O ATOM 520 CB TYR A 34 -7.926 5.868 -31.848 1.00 0.00 C ATOM 521 CG TYR A 34 -8.064 4.364 -31.959 1.00 0.00 C ATOM 522 CD1 TYR A 34 -7.562 3.683 -33.065 1.00 0.00 C ATOM 523 CD2 TYR A 34 -8.694 3.626 -30.966 1.00 0.00 C ATOM 524 CE1 TYR A 34 -7.689 2.309 -33.176 1.00 0.00 C ATOM 525 CE2 TYR A 34 -8.822 2.253 -31.070 1.00 0.00 C ATOM 526 CZ TYR A 34 -8.318 1.599 -32.175 1.00 0.00 C ATOM 527 OH TYR A 34 -8.458 0.231 -32.283 1.00 0.00 O ATOM 0 H TYR A 34 -7.483 6.012 -29.347 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.794 5.783 -31.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.754 6.256 -31.254 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.014 6.306 -32.842 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.066 4.236 -33.849 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.090 4.132 -30.098 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.298 1.796 -34.042 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.315 1.694 -30.288 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.923 -0.114 -31.492 1.00 0.00 H new ATOM 537 N LEU A 35 -5.812 8.170 -32.561 1.00 0.00 N ATOM 538 CA LEU A 35 -5.504 9.559 -32.840 1.00 0.00 C ATOM 539 C LEU A 35 -6.773 10.341 -33.131 1.00 0.00 C ATOM 540 O LEU A 35 -6.825 11.556 -32.954 1.00 0.00 O ATOM 541 CB LEU A 35 -4.547 9.673 -34.010 1.00 0.00 C ATOM 542 CG LEU A 35 -3.648 10.891 -33.929 1.00 0.00 C ATOM 543 CD1 LEU A 35 -2.637 10.711 -32.815 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.961 11.135 -35.247 1.00 0.00 C ATOM 0 H LEU A 35 -5.534 7.517 -33.293 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.026 9.981 -31.956 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.930 8.776 -34.055 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.119 9.713 -34.937 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.259 11.766 -33.707 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.994 11.589 -32.762 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.159 10.586 -31.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.029 9.828 -33.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.321 12.014 -35.167 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.355 10.267 -35.508 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.709 11.301 -36.022 1.00 0.00 H new ATOM 556 N ASP A 36 -7.788 9.622 -33.579 1.00 0.00 N ATOM 557 CA ASP A 36 -9.113 10.184 -33.784 1.00 0.00 C ATOM 558 C ASP A 36 -9.611 10.849 -32.509 1.00 0.00 C ATOM 559 O ASP A 36 -10.217 11.922 -32.552 1.00 0.00 O ATOM 560 CB ASP A 36 -10.091 9.087 -34.203 1.00 0.00 C ATOM 561 CG ASP A 36 -9.926 8.665 -35.650 1.00 0.00 C ATOM 562 OD1 ASP A 36 -9.043 7.830 -35.934 1.00 0.00 O ATOM 563 OD2 ASP A 36 -10.699 9.156 -36.505 1.00 0.00 O ATOM 0 H ASP A 36 -7.717 8.631 -33.811 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.050 10.932 -34.574 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.951 8.219 -33.559 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.111 9.439 -34.047 1.00 0.00 H new ATOM 568 N ASP A 37 -9.340 10.207 -31.376 1.00 0.00 N ATOM 569 CA ASP A 37 -9.696 10.754 -30.074 1.00 0.00 C ATOM 570 C ASP A 37 -8.849 11.980 -29.770 1.00 0.00 C ATOM 571 O ASP A 37 -9.361 13.010 -29.332 1.00 0.00 O ATOM 572 CB ASP A 37 -9.495 9.715 -28.965 1.00 0.00 C ATOM 573 CG ASP A 37 -10.450 8.540 -29.062 1.00 0.00 C ATOM 574 OD1 ASP A 37 -10.147 7.581 -29.803 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.501 8.568 -28.383 1.00 0.00 O ATOM 0 H ASP A 37 -8.872 9.302 -31.336 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.749 11.033 -30.107 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.470 9.345 -29.005 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.622 10.199 -27.996 1.00 0.00 H new ATOM 580 N MET A 38 -7.549 11.869 -30.041 1.00 0.00 N ATOM 581 CA MET A 38 -6.605 12.945 -29.738 1.00 0.00 C ATOM 582 C MET A 38 -6.946 14.200 -30.538 1.00 0.00 C ATOM 583 O MET A 38 -7.002 15.301 -29.992 1.00 0.00 O ATOM 584 CB MET A 38 -5.162 12.519 -30.046 1.00 0.00 C ATOM 585 CG MET A 38 -4.815 11.116 -29.578 1.00 0.00 C ATOM 586 SD MET A 38 -3.049 10.870 -29.308 1.00 0.00 S ATOM 587 CE MET A 38 -2.785 11.857 -27.838 1.00 0.00 C ATOM 0 H MET A 38 -7.125 11.046 -30.469 1.00 0.00 H new ATOM 0 HA MET A 38 -6.686 13.163 -28.673 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.998 12.582 -31.122 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.478 13.226 -29.577 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.350 10.907 -28.651 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.166 10.397 -30.318 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.722 12.069 -27.729 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.335 12.794 -27.925 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.137 11.309 -26.964 1.00 0.00 H new ATOM 597 N PHE A 39 -7.198 14.014 -31.831 1.00 0.00 N ATOM 598 CA PHE A 39 -7.526 15.119 -32.730 1.00 0.00 C ATOM 599 C PHE A 39 -8.859 15.763 -32.347 1.00 0.00 C ATOM 600 O PHE A 39 -9.102 16.937 -32.631 1.00 0.00 O ATOM 601 CB PHE A 39 -7.574 14.615 -34.177 1.00 0.00 C ATOM 602 CG PHE A 39 -7.945 15.671 -35.183 1.00 0.00 C ATOM 603 CD1 PHE A 39 -7.059 16.690 -35.499 1.00 0.00 C ATOM 604 CD2 PHE A 39 -9.182 15.645 -35.808 1.00 0.00 C ATOM 605 CE1 PHE A 39 -7.402 17.662 -36.419 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.529 16.615 -36.728 1.00 0.00 C ATOM 607 CZ PHE A 39 -8.638 17.625 -37.035 1.00 0.00 C ATOM 0 H PHE A 39 -7.181 13.100 -32.284 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.749 15.878 -32.640 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.599 14.204 -34.440 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.292 13.798 -34.242 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.091 16.724 -35.021 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.882 14.857 -35.573 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.704 18.451 -36.657 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.496 16.584 -37.207 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.907 18.384 -37.755 1.00 0.00 H new ATOM 617 N GLU A 40 -9.713 14.990 -31.694 1.00 0.00 N ATOM 618 CA GLU A 40 -11.007 15.478 -31.242 1.00 0.00 C ATOM 619 C GLU A 40 -10.831 16.515 -30.132 1.00 0.00 C ATOM 620 O GLU A 40 -11.712 17.344 -29.885 1.00 0.00 O ATOM 621 CB GLU A 40 -11.848 14.310 -30.731 1.00 0.00 C ATOM 622 CG GLU A 40 -13.248 14.706 -30.299 1.00 0.00 C ATOM 623 CD GLU A 40 -14.013 13.559 -29.681 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.698 12.827 -30.423 1.00 0.00 O ATOM 625 OE2 GLU A 40 -13.943 13.394 -28.445 1.00 0.00 O ATOM 0 H GLU A 40 -9.531 14.013 -31.464 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.516 15.951 -32.082 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.919 13.556 -31.515 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.335 13.847 -29.888 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.185 15.524 -29.581 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.798 15.081 -31.162 1.00 0.00 H new ATOM 632 N GLY A 41 -9.681 16.468 -29.475 1.00 0.00 N ATOM 633 CA GLY A 41 -9.419 17.361 -28.372 1.00 0.00 C ATOM 634 C GLY A 41 -9.450 16.643 -27.042 1.00 0.00 C ATOM 635 O GLY A 41 -9.204 17.242 -25.994 1.00 0.00 O ATOM 0 H GLY A 41 -8.922 15.822 -29.690 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.444 17.829 -28.508 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.159 18.161 -28.369 1.00 0.00 H new ATOM 639 N GLU A 42 -9.752 15.355 -27.084 1.00 0.00 N ATOM 640 CA GLU A 42 -9.759 14.532 -25.888 1.00 0.00 C ATOM 641 C GLU A 42 -8.468 13.733 -25.819 1.00 0.00 C ATOM 642 O GLU A 42 -8.070 13.092 -26.792 1.00 0.00 O ATOM 643 CB GLU A 42 -10.970 13.592 -25.887 1.00 0.00 C ATOM 644 CG GLU A 42 -11.108 12.766 -24.615 1.00 0.00 C ATOM 645 CD GLU A 42 -11.206 13.622 -23.367 1.00 0.00 C ATOM 646 OE1 GLU A 42 -12.331 14.032 -23.003 1.00 0.00 O ATOM 647 OE2 GLU A 42 -10.161 13.887 -22.743 1.00 0.00 O ATOM 0 H GLU A 42 -9.997 14.856 -27.939 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.831 15.176 -25.012 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.876 14.182 -26.026 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.895 12.918 -26.740 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.995 12.137 -24.690 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.251 12.098 -24.526 1.00 0.00 H new ATOM 654 N LYS A 43 -7.816 13.777 -24.677 1.00 0.00 N ATOM 655 CA LYS A 43 -6.538 13.114 -24.520 1.00 0.00 C ATOM 656 C LYS A 43 -6.578 12.116 -23.378 1.00 0.00 C ATOM 657 O LYS A 43 -6.479 12.476 -22.210 1.00 0.00 O ATOM 658 CB LYS A 43 -5.450 14.138 -24.285 1.00 0.00 C ATOM 659 CG LYS A 43 -5.801 15.124 -23.207 1.00 0.00 C ATOM 660 CD LYS A 43 -4.655 16.051 -22.930 1.00 0.00 C ATOM 661 CE LYS A 43 -5.090 17.133 -21.976 1.00 0.00 C ATOM 662 NZ LYS A 43 -5.237 16.633 -20.581 1.00 0.00 N ATOM 0 H LYS A 43 -8.148 14.264 -23.845 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.321 12.567 -25.437 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.527 13.625 -24.015 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.256 14.675 -25.213 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.675 15.701 -23.508 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.070 14.591 -22.295 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.820 15.494 -22.505 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.302 16.495 -23.861 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.362 17.944 -21.994 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.040 17.550 -22.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.994 17.160 -20.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.477 15.621 -20.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.343 16.768 -20.068 1.00 0.00 H new ATOM 676 N VAL A 44 -6.712 10.858 -23.725 1.00 0.00 N ATOM 677 CA VAL A 44 -6.818 9.804 -22.730 1.00 0.00 C ATOM 678 C VAL A 44 -6.652 8.428 -23.363 1.00 0.00 C ATOM 679 O VAL A 44 -7.293 8.109 -24.363 1.00 0.00 O ATOM 680 CB VAL A 44 -8.161 9.884 -21.957 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.334 9.998 -22.915 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.337 8.683 -21.040 1.00 0.00 C ATOM 0 H VAL A 44 -6.751 10.533 -24.691 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.008 9.954 -22.017 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.135 10.782 -21.340 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.263 10.052 -22.348 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.224 10.899 -23.519 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.358 9.125 -23.567 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.286 8.765 -20.511 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.330 7.768 -21.633 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.521 8.654 -20.318 1.00 0.00 H new ATOM 692 N ALA A 45 -5.773 7.629 -22.785 1.00 0.00 N ATOM 693 CA ALA A 45 -5.579 6.260 -23.225 1.00 0.00 C ATOM 694 C ALA A 45 -6.312 5.317 -22.285 1.00 0.00 C ATOM 695 O ALA A 45 -6.352 5.546 -21.072 1.00 0.00 O ATOM 696 CB ALA A 45 -4.098 5.914 -23.285 1.00 0.00 C ATOM 0 H ALA A 45 -5.179 7.908 -22.004 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.986 6.151 -24.230 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.978 4.883 -23.617 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.596 6.582 -23.986 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.657 6.030 -22.295 1.00 0.00 H new ATOM 702 N VAL A 46 -6.906 4.276 -22.840 1.00 0.00 N ATOM 703 CA VAL A 46 -7.658 3.322 -22.050 1.00 0.00 C ATOM 704 C VAL A 46 -7.101 1.924 -22.217 1.00 0.00 C ATOM 705 O VAL A 46 -6.797 1.496 -23.333 1.00 0.00 O ATOM 706 CB VAL A 46 -9.157 3.324 -22.423 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.361 3.085 -23.915 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.924 2.294 -21.603 1.00 0.00 C ATOM 0 H VAL A 46 -6.881 4.071 -23.839 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.561 3.628 -21.008 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.552 4.312 -22.187 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.427 3.093 -24.142 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.864 3.873 -24.481 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.938 2.119 -24.190 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.977 2.316 -21.885 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.517 1.301 -21.794 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.827 2.528 -20.543 1.00 0.00 H new ATOM 718 N CYS A 47 -6.942 1.228 -21.114 1.00 0.00 N ATOM 719 CA CYS A 47 -6.542 -0.152 -21.172 1.00 0.00 C ATOM 720 C CYS A 47 -7.740 -1.043 -20.889 1.00 0.00 C ATOM 721 O CYS A 47 -8.456 -0.840 -19.904 1.00 0.00 O ATOM 722 CB CYS A 47 -5.423 -0.447 -20.176 1.00 0.00 C ATOM 723 SG CYS A 47 -4.559 -2.022 -20.483 1.00 0.00 S ATOM 0 H CYS A 47 -7.083 1.596 -20.173 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.162 -0.357 -22.173 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.698 0.366 -20.208 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.841 -0.463 -19.169 1.00 0.00 H new ATOM 0 HG CYS A 47 -4.728 -2.815 -19.467 1.00 0.00 H new ATOM 728 N PRO A 48 -7.992 -2.013 -21.769 1.00 0.00 N ATOM 729 CA PRO A 48 -9.057 -2.981 -21.586 1.00 0.00 C ATOM 730 C PRO A 48 -8.638 -4.104 -20.639 1.00 0.00 C ATOM 731 O PRO A 48 -7.450 -4.334 -20.436 1.00 0.00 O ATOM 732 CB PRO A 48 -9.295 -3.507 -23.001 1.00 0.00 C ATOM 733 CG PRO A 48 -7.979 -3.374 -23.690 1.00 0.00 C ATOM 734 CD PRO A 48 -7.238 -2.247 -23.015 1.00 0.00 C ATOM 0 HA PRO A 48 -9.950 -2.549 -21.134 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.629 -4.544 -22.985 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.067 -2.931 -23.511 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.413 -4.303 -23.622 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.119 -3.163 -24.750 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.203 -2.518 -22.809 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.215 -1.354 -23.640 1.00 0.00 H new ATOM 742 N SER A 49 -9.631 -4.748 -20.030 1.00 0.00 N ATOM 743 CA SER A 49 -9.432 -5.904 -19.149 1.00 0.00 C ATOM 744 C SER A 49 -9.139 -5.449 -17.719 1.00 0.00 C ATOM 745 O SER A 49 -9.845 -5.844 -16.786 1.00 0.00 O ATOM 746 CB SER A 49 -8.330 -6.845 -19.673 1.00 0.00 C ATOM 747 OG SER A 49 -8.438 -8.146 -19.108 1.00 0.00 O ATOM 0 H SER A 49 -10.610 -4.481 -20.134 1.00 0.00 H new ATOM 0 HA SER A 49 -10.360 -6.476 -19.143 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.395 -6.913 -20.759 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.351 -6.426 -19.438 1.00 0.00 H new ATOM 0 HG SER A 49 -7.725 -8.717 -19.463 1.00 0.00 H new ATOM 753 N CYS A 50 -8.121 -4.615 -17.534 1.00 0.00 N ATOM 754 CA CYS A 50 -7.852 -4.057 -16.216 1.00 0.00 C ATOM 755 C CYS A 50 -8.675 -2.784 -16.041 1.00 0.00 C ATOM 756 O CYS A 50 -9.125 -2.462 -14.939 1.00 0.00 O ATOM 757 CB CYS A 50 -6.355 -3.779 -16.017 1.00 0.00 C ATOM 758 SG CYS A 50 -5.711 -2.342 -16.931 1.00 0.00 S ATOM 0 H CYS A 50 -7.479 -4.315 -18.267 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.140 -4.784 -15.456 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.167 -3.628 -14.954 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.793 -4.663 -16.318 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.438 -2.499 -17.145 1.00 0.00 H new ATOM 763 N SER A 51 -8.882 -2.090 -17.162 1.00 0.00 N ATOM 764 CA SER A 51 -9.741 -0.911 -17.231 1.00 0.00 C ATOM 765 C SER A 51 -9.149 0.282 -16.476 1.00 0.00 C ATOM 766 O SER A 51 -9.584 0.617 -15.371 1.00 0.00 O ATOM 767 CB SER A 51 -11.147 -1.236 -16.716 1.00 0.00 C ATOM 768 OG SER A 51 -11.677 -2.376 -17.377 1.00 0.00 O ATOM 0 H SER A 51 -8.453 -2.335 -18.054 1.00 0.00 H new ATOM 0 HA SER A 51 -9.810 -0.624 -18.280 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.113 -1.417 -15.642 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.804 -0.381 -16.874 1.00 0.00 H new ATOM 0 HG SER A 51 -12.574 -2.567 -17.032 1.00 0.00 H new ATOM 774 N LEU A 52 -8.154 0.919 -17.083 1.00 0.00 N ATOM 775 CA LEU A 52 -7.567 2.129 -16.531 1.00 0.00 C ATOM 776 C LEU A 52 -7.425 3.177 -17.630 1.00 0.00 C ATOM 777 O LEU A 52 -7.156 2.845 -18.784 1.00 0.00 O ATOM 778 CB LEU A 52 -6.208 1.830 -15.891 1.00 0.00 C ATOM 779 CG LEU A 52 -5.485 3.037 -15.284 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.331 3.688 -14.198 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.129 2.621 -14.723 1.00 0.00 C ATOM 0 H LEU A 52 -7.737 0.613 -17.962 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.224 2.517 -15.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.350 1.083 -15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.561 1.383 -16.646 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.325 3.769 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.796 4.542 -13.783 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.276 4.024 -14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.528 2.964 -13.407 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.630 3.491 -14.296 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.271 1.868 -13.948 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.516 2.207 -15.523 1.00 0.00 H new ATOM 793 N MET A 53 -7.634 4.432 -17.267 1.00 0.00 N ATOM 794 CA MET A 53 -7.578 5.537 -18.218 1.00 0.00 C ATOM 795 C MET A 53 -6.735 6.673 -17.667 1.00 0.00 C ATOM 796 O MET A 53 -6.833 7.009 -16.486 1.00 0.00 O ATOM 797 CB MET A 53 -8.984 6.045 -18.510 1.00 0.00 C ATOM 798 CG MET A 53 -9.872 5.019 -19.185 1.00 0.00 C ATOM 799 SD MET A 53 -11.612 5.473 -19.120 1.00 0.00 S ATOM 800 CE MET A 53 -11.861 5.523 -17.346 1.00 0.00 C ATOM 0 H MET A 53 -7.846 4.716 -16.311 1.00 0.00 H new ATOM 0 HA MET A 53 -7.123 5.174 -19.140 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.450 6.358 -17.575 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.917 6.929 -19.144 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.567 4.906 -20.225 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.733 4.050 -18.705 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.847 5.125 -17.106 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.097 4.921 -16.854 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.791 6.554 -16.998 1.00 0.00 H new ATOM 810 N ILE A 54 -5.913 7.262 -18.526 1.00 0.00 N ATOM 811 CA ILE A 54 -5.060 8.382 -18.141 1.00 0.00 C ATOM 812 C ILE A 54 -4.958 9.378 -19.292 1.00 0.00 C ATOM 813 O ILE A 54 -5.097 8.998 -20.454 1.00 0.00 O ATOM 814 CB ILE A 54 -3.625 7.933 -17.735 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.771 7.558 -18.960 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.666 6.773 -16.747 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.266 6.361 -19.744 1.00 0.00 C ATOM 0 H ILE A 54 -5.818 6.981 -19.502 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.524 8.845 -17.270 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.155 8.788 -17.248 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.725 8.417 -19.629 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.753 7.359 -18.627 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.649 6.483 -16.484 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.200 7.080 -15.848 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.178 5.925 -17.202 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.599 6.177 -20.586 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.284 5.484 -19.097 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.272 6.559 -20.114 1.00 0.00 H new ATOM 829 N ASP A 55 -4.721 10.642 -18.969 1.00 0.00 N ATOM 830 CA ASP A 55 -4.561 11.679 -19.984 1.00 0.00 C ATOM 831 C ASP A 55 -3.242 11.501 -20.728 1.00 0.00 C ATOM 832 O ASP A 55 -2.282 10.951 -20.183 1.00 0.00 O ATOM 833 CB ASP A 55 -4.576 13.071 -19.351 1.00 0.00 C ATOM 834 CG ASP A 55 -5.961 13.605 -19.043 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.504 13.277 -17.969 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.495 14.390 -19.858 1.00 0.00 O ATOM 0 H ASP A 55 -4.635 10.977 -18.009 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.395 11.586 -20.679 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.997 13.043 -18.428 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.073 13.767 -20.022 1.00 0.00 H new ATOM 841 N VAL A 56 -3.192 11.970 -21.967 1.00 0.00 N ATOM 842 CA VAL A 56 -1.960 11.931 -22.754 1.00 0.00 C ATOM 843 C VAL A 56 -1.740 13.265 -23.472 1.00 0.00 C ATOM 844 O VAL A 56 -2.516 13.638 -24.351 1.00 0.00 O ATOM 845 CB VAL A 56 -1.975 10.791 -23.797 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.697 10.797 -24.626 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.160 9.438 -23.124 1.00 0.00 C ATOM 0 H VAL A 56 -3.989 12.383 -22.452 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.144 11.746 -22.056 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.821 10.962 -24.463 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.731 9.986 -25.353 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.607 11.749 -25.149 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.163 10.661 -23.970 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.167 8.653 -23.880 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.340 9.263 -22.427 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.105 9.428 -22.582 1.00 0.00 H new ATOM 857 N VAL A 57 -0.681 13.971 -23.099 1.00 0.00 N ATOM 858 CA VAL A 57 -0.392 15.289 -23.659 1.00 0.00 C ATOM 859 C VAL A 57 0.077 15.179 -25.107 1.00 0.00 C ATOM 860 O VAL A 57 1.108 14.574 -25.385 1.00 0.00 O ATOM 861 CB VAL A 57 0.687 16.026 -22.835 1.00 0.00 C ATOM 862 CG1 VAL A 57 0.933 17.420 -23.385 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.292 16.091 -21.369 1.00 0.00 C ATOM 0 H VAL A 57 -0.003 13.652 -22.407 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.320 15.860 -23.622 1.00 0.00 H new ATOM 0 HB VAL A 57 1.616 15.462 -22.916 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.697 17.917 -22.787 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.271 17.349 -24.419 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.008 17.996 -23.344 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.066 16.614 -20.807 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.653 16.626 -21.270 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.179 15.080 -20.977 1.00 0.00 H new ATOM 873 N PHE A 58 -0.684 15.766 -26.023 1.00 0.00 N ATOM 874 CA PHE A 58 -0.353 15.719 -27.443 1.00 0.00 C ATOM 875 C PHE A 58 0.046 17.101 -27.953 1.00 0.00 C ATOM 876 O PHE A 58 -0.191 18.108 -27.282 1.00 0.00 O ATOM 877 CB PHE A 58 -1.538 15.175 -28.252 1.00 0.00 C ATOM 878 CG PHE A 58 -2.809 15.975 -28.109 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.725 15.673 -27.115 1.00 0.00 C ATOM 880 CD2 PHE A 58 -3.090 17.019 -28.978 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.896 16.398 -26.986 1.00 0.00 C ATOM 882 CE2 PHE A 58 -4.257 17.749 -28.853 1.00 0.00 C ATOM 883 CZ PHE A 58 -5.161 17.437 -27.856 1.00 0.00 C ATOM 0 H PHE A 58 -1.537 16.282 -25.807 1.00 0.00 H new ATOM 0 HA PHE A 58 0.496 15.048 -27.572 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.259 15.143 -29.305 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.733 14.148 -27.943 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.522 14.861 -26.432 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.389 17.264 -29.762 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.602 16.152 -26.206 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.462 18.562 -29.534 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.074 18.005 -27.757 1.00 0.00 H new ATOM 893 N ASP A 59 0.663 17.141 -29.132 1.00 0.00 N ATOM 894 CA ASP A 59 1.042 18.404 -29.757 1.00 0.00 C ATOM 895 C ASP A 59 0.603 18.427 -31.208 1.00 0.00 C ATOM 896 O ASP A 59 0.401 17.378 -31.815 1.00 0.00 O ATOM 897 CB ASP A 59 2.552 18.620 -29.705 1.00 0.00 C ATOM 898 CG ASP A 59 2.930 20.048 -30.041 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.845 20.912 -29.143 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.294 20.316 -31.207 1.00 0.00 O ATOM 0 H ASP A 59 0.911 16.313 -29.673 1.00 0.00 H new ATOM 0 HA ASP A 59 0.547 19.201 -29.201 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.920 18.372 -28.710 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.040 17.941 -30.404 1.00 0.00 H new ATOM 905 N LYS A 60 0.488 19.624 -31.765 1.00 0.00 N ATOM 906 CA LYS A 60 0.114 19.797 -33.159 1.00 0.00 C ATOM 907 C LYS A 60 1.110 19.089 -34.070 1.00 0.00 C ATOM 908 O LYS A 60 0.727 18.397 -35.012 1.00 0.00 O ATOM 909 CB LYS A 60 0.065 21.285 -33.536 1.00 0.00 C ATOM 910 CG LYS A 60 -0.841 22.148 -32.665 1.00 0.00 C ATOM 911 CD LYS A 60 -0.159 22.541 -31.365 1.00 0.00 C ATOM 912 CE LYS A 60 -0.987 23.538 -30.576 1.00 0.00 C ATOM 913 NZ LYS A 60 -0.310 23.950 -29.319 1.00 0.00 N ATOM 0 H LYS A 60 0.651 20.498 -31.265 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.877 19.362 -33.290 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.077 21.688 -33.490 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.265 21.370 -34.571 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.126 23.046 -33.213 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.760 21.605 -32.445 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.012 21.651 -30.760 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.819 22.971 -31.582 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.178 24.418 -31.190 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.956 23.098 -30.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.908 24.631 -28.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.150 23.114 -28.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.603 24.393 -29.546 1.00 0.00 H new ATOM 927 N GLU A 61 2.390 19.256 -33.765 1.00 0.00 N ATOM 928 CA GLU A 61 3.445 18.699 -34.597 1.00 0.00 C ATOM 929 C GLU A 61 3.570 17.200 -34.386 1.00 0.00 C ATOM 930 O GLU A 61 3.807 16.454 -35.338 1.00 0.00 O ATOM 931 CB GLU A 61 4.777 19.392 -34.319 1.00 0.00 C ATOM 932 CG GLU A 61 4.816 20.830 -34.810 1.00 0.00 C ATOM 933 CD GLU A 61 6.151 21.495 -34.563 1.00 0.00 C ATOM 934 OE1 GLU A 61 7.151 21.075 -35.180 1.00 0.00 O ATOM 935 OE2 GLU A 61 6.202 22.454 -33.766 1.00 0.00 O ATOM 0 H GLU A 61 2.721 19.772 -32.949 1.00 0.00 H new ATOM 0 HA GLU A 61 3.177 18.874 -35.639 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.971 19.375 -33.247 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.579 18.829 -34.797 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.596 20.851 -35.877 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.033 21.401 -34.312 1.00 0.00 H new ATOM 942 N ASP A 62 3.390 16.755 -33.144 1.00 0.00 N ATOM 943 CA ASP A 62 3.442 15.331 -32.845 1.00 0.00 C ATOM 944 C ASP A 62 2.344 14.586 -33.588 1.00 0.00 C ATOM 945 O ASP A 62 2.568 13.497 -34.110 1.00 0.00 O ATOM 946 CB ASP A 62 3.332 15.077 -31.340 1.00 0.00 C ATOM 947 CG ASP A 62 4.625 15.372 -30.608 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.661 14.769 -30.955 1.00 0.00 O ATOM 949 OD2 ASP A 62 4.613 16.212 -29.687 1.00 0.00 O ATOM 0 H ASP A 62 3.209 17.354 -32.339 1.00 0.00 H new ATOM 0 HA ASP A 62 4.408 14.956 -33.182 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.535 15.695 -30.927 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.050 14.038 -31.169 1.00 0.00 H new ATOM 954 N LEU A 63 1.163 15.190 -33.658 1.00 0.00 N ATOM 955 CA LEU A 63 0.044 14.596 -34.376 1.00 0.00 C ATOM 956 C LEU A 63 0.313 14.596 -35.876 1.00 0.00 C ATOM 957 O LEU A 63 0.087 13.594 -36.550 1.00 0.00 O ATOM 958 CB LEU A 63 -1.255 15.354 -34.089 1.00 0.00 C ATOM 959 CG LEU A 63 -1.673 15.416 -32.618 1.00 0.00 C ATOM 960 CD1 LEU A 63 -2.990 16.163 -32.474 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.786 14.020 -32.030 1.00 0.00 C ATOM 0 H LEU A 63 0.957 16.091 -33.226 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.066 13.568 -34.030 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.150 16.373 -34.462 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.060 14.888 -34.658 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.904 15.956 -32.065 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.275 16.199 -31.422 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.876 17.178 -32.854 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.765 15.648 -33.042 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.084 14.089 -30.984 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.533 13.451 -32.584 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.822 13.517 -32.100 1.00 0.00 H new ATOM 973 N ALA A 64 0.818 15.719 -36.382 1.00 0.00 N ATOM 974 CA ALA A 64 1.061 15.884 -37.812 1.00 0.00 C ATOM 975 C ALA A 64 2.054 14.851 -38.341 1.00 0.00 C ATOM 976 O ALA A 64 1.786 14.165 -39.330 1.00 0.00 O ATOM 977 CB ALA A 64 1.565 17.291 -38.098 1.00 0.00 C ATOM 0 H ALA A 64 1.068 16.532 -35.819 1.00 0.00 H new ATOM 0 HA ALA A 64 0.114 15.727 -38.329 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.743 17.403 -39.167 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.819 18.017 -37.776 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.495 17.462 -37.555 1.00 0.00 H new ATOM 983 N GLU A 65 3.199 14.735 -37.682 1.00 0.00 N ATOM 984 CA GLU A 65 4.230 13.822 -38.122 1.00 0.00 C ATOM 985 C GLU A 65 3.823 12.370 -37.889 1.00 0.00 C ATOM 986 O GLU A 65 4.166 11.490 -38.680 1.00 0.00 O ATOM 987 CB GLU A 65 5.539 14.144 -37.419 1.00 0.00 C ATOM 988 CG GLU A 65 6.227 15.376 -37.988 1.00 0.00 C ATOM 989 CD GLU A 65 7.593 15.625 -37.388 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.531 14.860 -37.697 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.739 16.594 -36.621 1.00 0.00 O ATOM 0 H GLU A 65 3.432 15.264 -36.842 1.00 0.00 H new ATOM 0 HA GLU A 65 4.369 13.948 -39.196 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.347 14.299 -36.357 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.210 13.289 -37.501 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.326 15.263 -39.068 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.597 16.249 -37.816 1.00 0.00 H new ATOM 998 N TYR A 66 3.072 12.122 -36.821 1.00 0.00 N ATOM 999 CA TYR A 66 2.574 10.780 -36.556 1.00 0.00 C ATOM 1000 C TYR A 66 1.563 10.375 -37.619 1.00 0.00 C ATOM 1001 O TYR A 66 1.501 9.214 -38.011 1.00 0.00 O ATOM 1002 CB TYR A 66 1.943 10.674 -35.168 1.00 0.00 C ATOM 1003 CG TYR A 66 1.566 9.257 -34.805 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.546 8.290 -34.625 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.237 8.884 -34.643 1.00 0.00 C ATOM 1006 CE1 TYR A 66 2.216 6.993 -34.296 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.102 7.585 -34.312 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.892 6.644 -34.140 1.00 0.00 C ATOM 1009 OH TYR A 66 0.566 5.353 -33.807 1.00 0.00 O ATOM 0 H TYR A 66 2.798 12.824 -36.133 1.00 0.00 H new ATOM 0 HA TYR A 66 3.426 10.101 -36.588 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.641 11.061 -34.426 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.054 11.303 -35.129 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.585 8.559 -34.745 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.542 9.619 -34.778 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.991 6.254 -34.161 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.139 7.309 -34.189 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.002 4.968 -34.507 1.00 0.00 H new ATOM 1019 N TYR A 67 0.774 11.341 -38.081 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.154 11.119 -39.187 1.00 0.00 C ATOM 1021 C TYR A 67 0.573 10.516 -40.386 1.00 0.00 C ATOM 1022 O TYR A 67 0.110 9.541 -40.983 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.842 12.445 -39.567 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.002 12.679 -41.055 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -1.985 12.025 -41.785 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.163 13.559 -41.731 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -2.126 12.240 -43.143 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -0.299 13.781 -43.088 1.00 0.00 C ATOM 1029 CZ TYR A 67 -1.280 13.117 -43.790 1.00 0.00 C ATOM 1030 OH TYR A 67 -1.416 13.330 -45.144 1.00 0.00 O ATOM 0 H TYR A 67 0.759 12.289 -37.705 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.919 10.410 -38.871 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.827 12.472 -39.102 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.267 13.269 -39.144 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.650 11.337 -41.284 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.610 14.079 -41.184 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.896 11.723 -43.696 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.360 14.471 -43.595 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.743 13.977 -45.443 1.00 0.00 H new ATOM 1040 N GLU A 68 1.723 11.086 -40.715 1.00 0.00 N ATOM 1041 CA GLU A 68 2.503 10.625 -41.853 1.00 0.00 C ATOM 1042 C GLU A 68 3.145 9.267 -41.564 1.00 0.00 C ATOM 1043 O GLU A 68 3.116 8.370 -42.404 1.00 0.00 O ATOM 1044 CB GLU A 68 3.579 11.651 -42.209 1.00 0.00 C ATOM 1045 CG GLU A 68 4.379 11.285 -43.449 1.00 0.00 C ATOM 1046 CD GLU A 68 5.418 12.327 -43.796 1.00 0.00 C ATOM 1047 OE1 GLU A 68 5.078 13.308 -44.488 1.00 0.00 O ATOM 1048 OE2 GLU A 68 6.588 12.163 -43.390 1.00 0.00 O ATOM 0 H GLU A 68 2.137 11.869 -40.209 1.00 0.00 H new ATOM 0 HA GLU A 68 1.828 10.510 -42.701 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.107 12.621 -42.364 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.261 11.759 -41.365 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.871 10.325 -43.290 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.699 11.159 -44.292 1.00 0.00 H new ATOM 1055 N GLU A 69 3.705 9.116 -40.371 1.00 0.00 N ATOM 1056 CA GLU A 69 4.421 7.896 -40.013 1.00 0.00 C ATOM 1057 C GLU A 69 3.486 6.713 -39.776 1.00 0.00 C ATOM 1058 O GLU A 69 3.838 5.573 -40.079 1.00 0.00 O ATOM 1059 CB GLU A 69 5.298 8.133 -38.787 1.00 0.00 C ATOM 1060 CG GLU A 69 6.565 8.909 -39.107 1.00 0.00 C ATOM 1061 CD GLU A 69 7.408 8.217 -40.159 1.00 0.00 C ATOM 1062 OE1 GLU A 69 8.240 7.362 -39.789 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.238 8.513 -41.359 1.00 0.00 O ATOM 0 H GLU A 69 3.678 9.821 -39.635 1.00 0.00 H new ATOM 0 HA GLU A 69 5.051 7.638 -40.864 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.725 8.677 -38.036 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.567 7.172 -38.348 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.300 9.907 -39.455 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.152 9.034 -38.197 1.00 0.00 H new ATOM 1070 N ALA A 70 2.307 6.971 -39.241 1.00 0.00 N ATOM 1071 CA ALA A 70 1.354 5.904 -38.982 1.00 0.00 C ATOM 1072 C ALA A 70 0.561 5.562 -40.232 1.00 0.00 C ATOM 1073 O ALA A 70 -0.061 4.505 -40.310 1.00 0.00 O ATOM 1074 CB ALA A 70 0.421 6.287 -37.851 1.00 0.00 C ATOM 0 H ALA A 70 1.986 7.903 -38.978 1.00 0.00 H new ATOM 0 HA ALA A 70 1.915 5.018 -38.686 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.285 5.476 -37.671 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.001 6.470 -36.947 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.125 7.191 -38.120 1.00 0.00 H new ATOM 1080 N GLY A 71 0.577 6.463 -41.202 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.127 6.225 -42.446 1.00 0.00 C ATOM 1082 C GLY A 71 -1.613 6.443 -42.292 1.00 0.00 C ATOM 1083 O GLY A 71 -2.417 5.558 -42.588 1.00 0.00 O ATOM 0 H GLY A 71 1.066 7.357 -41.151 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.261 6.890 -43.218 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.059 5.205 -42.781 1.00 0.00 H new