USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 645 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 41 LYS NZ :NH3+ 152:sc= -0.292 (180deg=0) USER MOD Set 1.2: A 49 THR OG1 : rot 104:sc= 1.29 USER MOD Set 1.3: A 51 HIS : no HE2:sc= -12! C(o=-11!,f=-13!) USER MOD Set 2.1: A 32 GLN : amide:sc= -1.46! C(o=-8.7!,f=-11!) USER MOD Set 2.2: A 34 HIS : no HD1:sc= -7.21! C(o=-8.7!,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -104:sc= 0.1 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0586 USER MOD Single : A 11 GLN : amide:sc= -8.59! C(o=-8.6!,f=-13!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.4!) USER MOD Single : A 22 GLN : amide:sc= -0.738 K(o=-0.74,f=-7.3!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -2.01 F(o=-4.2!,f=-2) USER MOD Single : A 28 GLN : amide:sc= -0.0534 X(o=-0.053,f=-0.25) USER MOD Single : A 36 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.2!) USER MOD Single : A 42 SER OG : rot 35:sc= 0.639 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -7! C(o=-7!,f=-12!) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= -5.58! (180deg=-9.24!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.826 K(o=-0.83,f=-2.2) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0661 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc=-0.00864 X(o=-0.0086,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.068 -17.775 16.981 1.00 0.00 N ATOM 2 CA MET A 1 31.187 -17.897 15.831 1.00 0.00 C ATOM 3 C MET A 1 30.662 -16.528 15.395 1.00 0.00 C ATOM 4 O MET A 1 30.814 -15.542 16.115 1.00 0.00 O ATOM 5 CB MET A 1 30.009 -18.807 16.184 1.00 0.00 C ATOM 6 CG MET A 1 30.380 -20.280 16.000 1.00 0.00 C ATOM 7 SD MET A 1 30.460 -21.092 17.588 1.00 0.00 S ATOM 8 CE MET A 1 30.457 -22.799 17.063 1.00 0.00 C ATOM 0 H1 MET A 1 33.056 -17.880 16.674 1.00 0.00 H new ATOM 0 H2 MET A 1 31.939 -16.841 17.419 1.00 0.00 H new ATOM 0 H3 MET A 1 31.840 -18.517 17.673 1.00 0.00 H new ATOM 0 HA MET A 1 31.755 -18.327 15.006 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.705 -18.631 17.216 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.154 -18.562 15.554 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.642 -20.773 15.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.341 -20.361 15.492 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.503 -23.449 17.937 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.544 -23.006 16.505 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.322 -22.985 16.426 1.00 0.00 H new ATOM 18 N ARG A 2 30.055 -16.510 14.217 1.00 0.00 N ATOM 19 CA ARG A 2 29.507 -15.278 13.676 1.00 0.00 C ATOM 20 C ARG A 2 27.990 -15.241 13.873 1.00 0.00 C ATOM 21 O ARG A 2 27.369 -16.271 14.133 1.00 0.00 O ATOM 22 CB ARG A 2 29.825 -15.140 12.186 1.00 0.00 C ATOM 23 CG ARG A 2 28.994 -16.120 11.356 1.00 0.00 C ATOM 24 CD ARG A 2 29.251 -15.927 9.860 1.00 0.00 C ATOM 25 NE ARG A 2 28.587 -17.001 9.089 1.00 0.00 N ATOM 26 CZ ARG A 2 29.028 -18.265 9.027 1.00 0.00 C ATOM 27 NH1 ARG A 2 30.137 -18.620 9.690 1.00 0.00 N ATOM 28 NH2 ARG A 2 28.361 -19.173 8.302 1.00 0.00 N ATOM 0 H ARG A 2 29.931 -17.329 13.622 1.00 0.00 H new ATOM 0 HA ARG A 2 29.967 -14.447 14.211 1.00 0.00 H new ATOM 0 HB2 ARG A 2 29.623 -14.120 11.860 1.00 0.00 H new ATOM 0 HB3 ARG A 2 30.886 -15.324 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 2 29.239 -17.143 11.642 1.00 0.00 H new ATOM 0 HG3 ARG A 2 27.935 -15.975 11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 2 28.876 -14.954 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 2 30.323 -15.936 9.663 1.00 0.00 H new ATOM 0 HE ARG A 2 27.740 -16.764 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 2 30.645 -17.928 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 2 30.473 -19.582 9.643 1.00 0.00 H new ATOM 0 HH21 ARG A 2 27.517 -18.902 7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 2 28.697 -20.135 8.255 1.00 0.00 H new ATOM 42 N SER A 3 27.437 -14.044 13.741 1.00 0.00 N ATOM 43 CA SER A 3 26.005 -13.860 13.900 1.00 0.00 C ATOM 44 C SER A 3 25.327 -13.820 12.530 1.00 0.00 C ATOM 45 O SER A 3 26.000 -13.761 11.502 1.00 0.00 O ATOM 46 CB SER A 3 25.698 -12.581 14.682 1.00 0.00 C ATOM 47 OG SER A 3 25.630 -12.815 16.085 1.00 0.00 O ATOM 0 H SER A 3 27.955 -13.192 13.526 1.00 0.00 H new ATOM 0 HA SER A 3 25.613 -14.704 14.467 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.467 -11.837 14.476 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.751 -12.164 14.338 1.00 0.00 H new ATOM 0 HG SER A 3 25.434 -11.974 16.548 1.00 0.00 H new ATOM 53 N LEU A 4 24.002 -13.854 12.559 1.00 0.00 N ATOM 54 CA LEU A 4 23.226 -13.824 11.331 1.00 0.00 C ATOM 55 C LEU A 4 22.684 -12.409 11.111 1.00 0.00 C ATOM 56 O LEU A 4 22.806 -11.551 11.984 1.00 0.00 O ATOM 57 CB LEU A 4 22.140 -14.901 11.357 1.00 0.00 C ATOM 58 CG LEU A 4 20.914 -14.596 12.220 1.00 0.00 C ATOM 59 CD1 LEU A 4 19.621 -14.933 11.474 1.00 0.00 C ATOM 60 CD2 LEU A 4 21.001 -15.314 13.568 1.00 0.00 C ATOM 0 H LEU A 4 23.447 -13.902 13.413 1.00 0.00 H new ATOM 0 HA LEU A 4 23.857 -14.062 10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 4 21.805 -15.076 10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 4 22.586 -15.831 11.710 1.00 0.00 H new ATOM 0 HG LEU A 4 20.898 -13.526 12.425 1.00 0.00 H new ATOM 0 HD11 LEU A 4 18.765 -14.707 12.110 1.00 0.00 H new ATOM 0 HD12 LEU A 4 19.562 -14.340 10.561 1.00 0.00 H new ATOM 0 HD13 LEU A 4 19.614 -15.993 11.219 1.00 0.00 H new ATOM 0 HD21 LEU A 4 20.118 -15.081 14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 4 21.054 -16.390 13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 4 21.893 -14.983 14.099 1.00 0.00 H new ATOM 72 N GLU A 5 22.099 -12.210 9.940 1.00 0.00 N ATOM 73 CA GLU A 5 21.538 -10.914 9.593 1.00 0.00 C ATOM 74 C GLU A 5 20.017 -10.933 9.762 1.00 0.00 C ATOM 75 O GLU A 5 19.403 -11.998 9.773 1.00 0.00 O ATOM 76 CB GLU A 5 21.928 -10.511 8.170 1.00 0.00 C ATOM 77 CG GLU A 5 21.991 -8.989 8.030 1.00 0.00 C ATOM 78 CD GLU A 5 21.028 -8.499 6.946 1.00 0.00 C ATOM 79 OE1 GLU A 5 21.120 -9.033 5.819 1.00 0.00 O ATOM 80 OE2 GLU A 5 20.220 -7.601 7.269 1.00 0.00 O ATOM 0 H GLU A 5 22.001 -12.924 9.218 1.00 0.00 H new ATOM 0 HA GLU A 5 21.950 -10.167 10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.896 -10.943 7.918 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.204 -10.915 7.462 1.00 0.00 H new ATOM 0 HG2 GLU A 5 21.741 -8.522 8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.008 -8.684 7.783 1.00 0.00 H new ATOM 87 N THR A 6 19.455 -9.739 9.888 1.00 0.00 N ATOM 88 CA THR A 6 18.017 -9.605 10.055 1.00 0.00 C ATOM 89 C THR A 6 17.362 -9.207 8.732 1.00 0.00 C ATOM 90 O THR A 6 18.005 -9.231 7.684 1.00 0.00 O ATOM 91 CB THR A 6 17.766 -8.603 11.184 1.00 0.00 C ATOM 92 OG1 THR A 6 18.658 -7.529 10.902 1.00 0.00 O ATOM 93 CG2 THR A 6 18.229 -9.126 12.545 1.00 0.00 C ATOM 0 H THR A 6 19.968 -8.858 9.878 1.00 0.00 H new ATOM 0 HA THR A 6 17.560 -10.554 10.335 1.00 0.00 H new ATOM 0 HB THR A 6 16.703 -8.367 11.229 1.00 0.00 H new ATOM 0 HG1 THR A 6 18.559 -6.834 11.585 1.00 0.00 H new ATOM 0 HG21 THR A 6 18.028 -8.376 13.310 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.691 -10.043 12.785 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.299 -9.332 12.511 1.00 0.00 H new ATOM 101 N PHE A 7 16.090 -8.847 8.823 1.00 0.00 N ATOM 102 CA PHE A 7 15.339 -8.444 7.646 1.00 0.00 C ATOM 103 C PHE A 7 14.316 -7.362 7.992 1.00 0.00 C ATOM 104 O PHE A 7 14.317 -6.834 9.103 1.00 0.00 O ATOM 105 CB PHE A 7 14.600 -9.685 7.140 1.00 0.00 C ATOM 106 CG PHE A 7 14.275 -9.649 5.645 1.00 0.00 C ATOM 107 CD1 PHE A 7 15.206 -9.206 4.757 1.00 0.00 C ATOM 108 CD2 PHE A 7 13.056 -10.059 5.204 1.00 0.00 C ATOM 109 CE1 PHE A 7 14.904 -9.173 3.370 1.00 0.00 C ATOM 110 CE2 PHE A 7 12.755 -10.026 3.817 1.00 0.00 C ATOM 111 CZ PHE A 7 13.685 -9.583 2.929 1.00 0.00 C ATOM 0 H PHE A 7 15.560 -8.826 9.694 1.00 0.00 H new ATOM 0 HA PHE A 7 16.016 -8.039 6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 7 15.206 -10.567 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.672 -9.796 7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 7 16.174 -8.880 5.107 1.00 0.00 H new ATOM 0 HD2 PHE A 7 12.317 -10.410 5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 7 15.643 -8.822 2.665 1.00 0.00 H new ATOM 0 HE2 PHE A 7 11.787 -10.353 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 7 13.455 -9.557 1.874 1.00 0.00 H new ATOM 121 N VAL A 8 13.468 -7.061 7.019 1.00 0.00 N ATOM 122 CA VAL A 8 12.441 -6.050 7.207 1.00 0.00 C ATOM 123 C VAL A 8 11.081 -6.734 7.361 1.00 0.00 C ATOM 124 O VAL A 8 10.999 -7.860 7.847 1.00 0.00 O ATOM 125 CB VAL A 8 12.478 -5.045 6.055 1.00 0.00 C ATOM 126 CG1 VAL A 8 11.695 -5.565 4.849 1.00 0.00 C ATOM 127 CG2 VAL A 8 11.955 -3.679 6.501 1.00 0.00 C ATOM 0 H VAL A 8 13.471 -7.500 6.098 1.00 0.00 H new ATOM 0 HA VAL A 8 12.625 -5.483 8.120 1.00 0.00 H new ATOM 0 HB VAL A 8 13.518 -4.922 5.752 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.737 -4.831 4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.133 -6.503 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 8 10.656 -5.732 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.992 -2.984 5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.925 -3.778 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.574 -3.300 7.314 1.00 0.00 H new ATOM 137 N GLY A 9 10.046 -6.023 6.937 1.00 0.00 N ATOM 138 CA GLY A 9 8.693 -6.546 7.020 1.00 0.00 C ATOM 139 C GLY A 9 7.746 -5.766 6.108 1.00 0.00 C ATOM 140 O GLY A 9 8.164 -4.832 5.426 1.00 0.00 O ATOM 0 H GLY A 9 10.118 -5.088 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.689 -7.599 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.340 -6.490 8.050 1.00 0.00 H new ATOM 144 N ASP A 10 6.486 -6.176 6.126 1.00 0.00 N ATOM 145 CA ASP A 10 5.475 -5.527 5.308 1.00 0.00 C ATOM 146 C ASP A 10 5.147 -4.157 5.905 1.00 0.00 C ATOM 147 O ASP A 10 5.756 -3.742 6.889 1.00 0.00 O ATOM 148 CB ASP A 10 4.185 -6.348 5.272 1.00 0.00 C ATOM 149 CG ASP A 10 4.099 -7.369 4.136 1.00 0.00 C ATOM 150 OD1 ASP A 10 4.888 -8.338 4.183 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.247 -7.158 3.246 1.00 0.00 O ATOM 0 H ASP A 10 6.142 -6.950 6.694 1.00 0.00 H new ATOM 0 HA ASP A 10 5.869 -5.431 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.080 -6.874 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.340 -5.665 5.191 1.00 0.00 H new ATOM 156 N GLN A 11 4.185 -3.491 5.282 1.00 0.00 N ATOM 157 CA GLN A 11 3.769 -2.176 5.739 1.00 0.00 C ATOM 158 C GLN A 11 2.453 -1.773 5.069 1.00 0.00 C ATOM 159 O GLN A 11 2.205 -2.126 3.918 1.00 0.00 O ATOM 160 CB GLN A 11 4.858 -1.134 5.477 1.00 0.00 C ATOM 161 CG GLN A 11 4.609 0.136 6.292 1.00 0.00 C ATOM 162 CD GLN A 11 5.423 1.309 5.743 1.00 0.00 C ATOM 163 OE1 GLN A 11 6.512 1.613 6.202 1.00 0.00 O ATOM 164 NE2 GLN A 11 4.837 1.949 4.735 1.00 0.00 N ATOM 0 H GLN A 11 3.682 -3.838 4.465 1.00 0.00 H new ATOM 0 HA GLN A 11 3.608 -2.222 6.816 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.833 -1.549 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.884 -0.890 4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.548 0.384 6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.874 -0.039 7.335 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.924 1.643 4.399 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.301 2.746 4.298 1.00 0.00 H new ATOM 173 N VAL A 12 1.644 -1.041 5.821 1.00 0.00 N ATOM 174 CA VAL A 12 0.359 -0.587 5.315 1.00 0.00 C ATOM 175 C VAL A 12 0.486 0.865 4.846 1.00 0.00 C ATOM 176 O VAL A 12 1.489 1.523 5.116 1.00 0.00 O ATOM 177 CB VAL A 12 -0.720 -0.779 6.381 1.00 0.00 C ATOM 178 CG1 VAL A 12 -2.084 -1.043 5.738 1.00 0.00 C ATOM 179 CG2 VAL A 12 -0.343 -1.904 7.347 1.00 0.00 C ATOM 0 H VAL A 12 1.853 -0.751 6.776 1.00 0.00 H new ATOM 0 HA VAL A 12 0.055 -1.182 4.454 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.792 0.145 6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.834 -1.176 6.518 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.360 -0.196 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.030 -1.945 5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.127 -2.019 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.229 -2.836 6.793 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.597 -1.659 7.842 1.00 0.00 H new ATOM 189 N LEU A 13 -0.548 1.321 4.154 1.00 0.00 N ATOM 190 CA LEU A 13 -0.566 2.683 3.646 1.00 0.00 C ATOM 191 C LEU A 13 -2.014 3.164 3.542 1.00 0.00 C ATOM 192 O LEU A 13 -2.899 2.402 3.157 1.00 0.00 O ATOM 193 CB LEU A 13 0.209 2.773 2.330 1.00 0.00 C ATOM 194 CG LEU A 13 -0.485 2.182 1.101 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.762 3.263 0.054 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.322 1.018 0.523 1.00 0.00 C ATOM 0 H LEU A 13 -1.379 0.772 3.933 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.056 3.355 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.426 3.822 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.166 2.268 2.460 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.450 1.782 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.256 2.816 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.407 4.029 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.179 3.715 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.193 0.616 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.311 1.371 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.424 0.237 1.276 1.00 0.00 H new ATOM 208 N GLU A 14 -2.211 4.427 3.892 1.00 0.00 N ATOM 209 CA GLU A 14 -3.536 5.020 3.843 1.00 0.00 C ATOM 210 C GLU A 14 -3.711 5.823 2.553 1.00 0.00 C ATOM 211 O GLU A 14 -2.964 6.767 2.300 1.00 0.00 O ATOM 212 CB GLU A 14 -3.792 5.894 5.072 1.00 0.00 C ATOM 213 CG GLU A 14 -3.020 5.373 6.285 1.00 0.00 C ATOM 214 CD GLU A 14 -3.596 5.936 7.586 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.819 6.191 7.602 1.00 0.00 O ATOM 216 OE2 GLU A 14 -2.800 6.100 8.535 1.00 0.00 O ATOM 0 H GLU A 14 -1.474 5.056 4.211 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.272 4.216 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.494 6.921 4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.859 5.911 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.061 4.284 6.306 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.969 5.650 6.198 1.00 0.00 H new ATOM 223 N ILE A 15 -4.702 5.420 1.772 1.00 0.00 N ATOM 224 CA ILE A 15 -4.984 6.092 0.514 1.00 0.00 C ATOM 225 C ILE A 15 -6.339 6.796 0.610 1.00 0.00 C ATOM 226 O ILE A 15 -7.288 6.251 1.171 1.00 0.00 O ATOM 227 CB ILE A 15 -4.884 5.107 -0.653 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.638 4.230 -0.525 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.933 5.840 -1.995 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.943 2.954 0.263 1.00 0.00 C ATOM 0 H ILE A 15 -5.320 4.637 1.985 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.238 6.861 0.317 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.749 4.445 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.269 3.969 -1.517 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.846 4.789 -0.027 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.860 5.117 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.873 6.385 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.101 6.541 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.040 2.349 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.288 3.218 1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.718 2.386 -0.251 1.00 0.00 H new ATOM 242 N VAL A 16 -6.385 7.998 0.053 1.00 0.00 N ATOM 243 CA VAL A 16 -7.608 8.783 0.069 1.00 0.00 C ATOM 244 C VAL A 16 -7.979 9.169 -1.364 1.00 0.00 C ATOM 245 O VAL A 16 -7.516 10.186 -1.877 1.00 0.00 O ATOM 246 CB VAL A 16 -7.440 9.994 0.990 1.00 0.00 C ATOM 247 CG1 VAL A 16 -8.755 10.763 1.128 1.00 0.00 C ATOM 248 CG2 VAL A 16 -6.907 9.571 2.360 1.00 0.00 C ATOM 0 H VAL A 16 -5.596 8.447 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.434 8.197 0.472 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.707 10.661 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.609 11.619 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.077 11.112 0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.518 10.107 1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.797 10.450 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.606 8.874 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.938 9.087 2.240 1.00 0.00 H new ATOM 258 N PRO A 17 -8.834 8.314 -1.986 1.00 0.00 N ATOM 259 CA PRO A 17 -9.273 8.555 -3.350 1.00 0.00 C ATOM 260 C PRO A 17 -10.307 9.682 -3.402 1.00 0.00 C ATOM 261 O PRO A 17 -10.588 10.319 -2.388 1.00 0.00 O ATOM 262 CB PRO A 17 -9.825 7.221 -3.828 1.00 0.00 C ATOM 263 CG PRO A 17 -10.100 6.411 -2.572 1.00 0.00 C ATOM 264 CD PRO A 17 -9.404 7.100 -1.409 1.00 0.00 C ATOM 0 HA PRO A 17 -8.464 8.892 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.736 7.361 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.110 6.711 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.172 6.344 -2.389 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.732 5.392 -2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.107 7.334 -0.609 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.630 6.465 -0.978 1.00 0.00 H new ATOM 272 N SER A 18 -10.846 9.893 -4.594 1.00 0.00 N ATOM 273 CA SER A 18 -11.843 10.932 -4.791 1.00 0.00 C ATOM 274 C SER A 18 -12.320 10.929 -6.245 1.00 0.00 C ATOM 275 O SER A 18 -13.498 11.156 -6.516 1.00 0.00 O ATOM 276 CB SER A 18 -11.286 12.307 -4.417 1.00 0.00 C ATOM 277 OG SER A 18 -12.308 13.190 -3.962 1.00 0.00 O ATOM 0 H SER A 18 -10.611 9.362 -5.433 1.00 0.00 H new ATOM 0 HA SER A 18 -12.690 10.723 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.532 12.193 -3.638 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.788 12.744 -5.282 1.00 0.00 H new ATOM 0 HG SER A 18 -11.913 14.057 -3.731 1.00 0.00 H new ATOM 283 N ASN A 19 -11.379 10.672 -7.143 1.00 0.00 N ATOM 284 CA ASN A 19 -11.689 10.638 -8.562 1.00 0.00 C ATOM 285 C ASN A 19 -11.609 9.194 -9.061 1.00 0.00 C ATOM 286 O ASN A 19 -10.763 8.423 -8.612 1.00 0.00 O ATOM 287 CB ASN A 19 -10.687 11.472 -9.363 1.00 0.00 C ATOM 288 CG ASN A 19 -11.163 12.920 -9.497 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.324 13.240 -9.301 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.204 13.775 -9.841 1.00 0.00 N ATOM 0 H ASN A 19 -10.402 10.486 -6.915 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.690 11.046 -8.700 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.714 11.449 -8.872 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.554 11.036 -10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.421 14.765 -9.956 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.252 13.441 -9.990 1.00 0.00 H new ATOM 297 N GLU A 20 -12.502 8.872 -9.986 1.00 0.00 N ATOM 298 CA GLU A 20 -12.544 7.534 -10.552 1.00 0.00 C ATOM 299 C GLU A 20 -11.170 7.149 -11.106 1.00 0.00 C ATOM 300 O GLU A 20 -10.807 5.974 -11.113 1.00 0.00 O ATOM 301 CB GLU A 20 -13.620 7.431 -11.635 1.00 0.00 C ATOM 302 CG GLU A 20 -14.956 6.983 -11.039 1.00 0.00 C ATOM 303 CD GLU A 20 -15.834 8.187 -10.696 1.00 0.00 C ATOM 304 OE1 GLU A 20 -15.557 8.814 -9.651 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.765 8.454 -11.486 1.00 0.00 O ATOM 0 H GLU A 20 -13.202 9.514 -10.357 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.804 6.833 -9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.742 8.397 -12.125 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.304 6.723 -12.401 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.477 6.339 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.778 6.391 -10.141 1.00 0.00 H new ATOM 312 N GLU A 21 -10.445 8.162 -11.556 1.00 0.00 N ATOM 313 CA GLU A 21 -9.119 7.944 -12.111 1.00 0.00 C ATOM 314 C GLU A 21 -8.209 7.290 -11.069 1.00 0.00 C ATOM 315 O GLU A 21 -7.395 6.431 -11.402 1.00 0.00 O ATOM 316 CB GLU A 21 -8.516 9.254 -12.620 1.00 0.00 C ATOM 317 CG GLU A 21 -6.994 9.147 -12.742 1.00 0.00 C ATOM 318 CD GLU A 21 -6.405 10.408 -13.379 1.00 0.00 C ATOM 319 OE1 GLU A 21 -6.240 11.397 -12.633 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.132 10.352 -14.598 1.00 0.00 O ATOM 0 H GLU A 21 -10.750 9.135 -11.548 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.209 7.269 -12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.945 9.503 -13.590 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.774 10.066 -11.939 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.556 8.995 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.734 8.276 -13.344 1.00 0.00 H new ATOM 327 N GLN A 22 -8.377 7.724 -9.828 1.00 0.00 N ATOM 328 CA GLN A 22 -7.581 7.192 -8.735 1.00 0.00 C ATOM 329 C GLN A 22 -7.989 5.748 -8.434 1.00 0.00 C ATOM 330 O GLN A 22 -7.137 4.890 -8.217 1.00 0.00 O ATOM 331 CB GLN A 22 -7.705 8.069 -7.488 1.00 0.00 C ATOM 332 CG GLN A 22 -6.774 9.280 -7.573 1.00 0.00 C ATOM 333 CD GLN A 22 -7.573 10.581 -7.665 1.00 0.00 C ATOM 334 OE1 GLN A 22 -8.642 10.725 -7.095 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.997 11.518 -8.414 1.00 0.00 N ATOM 0 H GLN A 22 -9.053 8.438 -9.556 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.534 7.197 -9.039 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.736 8.406 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.464 7.482 -6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.127 9.308 -6.696 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.126 9.185 -8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.101 11.332 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.452 12.422 -8.539 1.00 0.00 H new ATOM 344 N ILE A 23 -9.296 5.526 -8.430 1.00 0.00 N ATOM 345 CA ILE A 23 -9.829 4.202 -8.159 1.00 0.00 C ATOM 346 C ILE A 23 -9.564 3.295 -9.361 1.00 0.00 C ATOM 347 O ILE A 23 -9.299 2.104 -9.198 1.00 0.00 O ATOM 348 CB ILE A 23 -11.306 4.289 -7.768 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.461 4.677 -6.296 1.00 0.00 C ATOM 350 CG2 ILE A 23 -12.038 2.987 -8.098 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.933 4.905 -5.942 1.00 0.00 C ATOM 0 H ILE A 23 -10.001 6.241 -8.610 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.322 3.755 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.770 5.078 -8.360 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.048 3.891 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.890 5.583 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.086 3.076 -7.810 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.971 2.793 -9.169 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.580 2.163 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.016 5.180 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.336 5.708 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.497 3.990 -6.124 1.00 0.00 H new ATOM 363 N LYS A 24 -9.644 3.891 -10.541 1.00 0.00 N ATOM 364 CA LYS A 24 -9.416 3.150 -11.771 1.00 0.00 C ATOM 365 C LYS A 24 -7.944 2.738 -11.847 1.00 0.00 C ATOM 366 O LYS A 24 -7.582 1.859 -12.628 1.00 0.00 O ATOM 367 CB LYS A 24 -9.889 3.960 -12.980 1.00 0.00 C ATOM 368 CG LYS A 24 -11.355 3.656 -13.302 1.00 0.00 C ATOM 369 CD LYS A 24 -11.794 4.370 -14.581 1.00 0.00 C ATOM 370 CE LYS A 24 -13.204 3.942 -14.991 1.00 0.00 C ATOM 371 NZ LYS A 24 -13.590 4.582 -16.269 1.00 0.00 N ATOM 0 H LYS A 24 -9.863 4.878 -10.672 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.006 2.234 -11.778 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.770 5.025 -12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.267 3.728 -13.844 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.490 2.581 -13.417 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.986 3.970 -12.471 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.768 5.449 -14.427 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.094 4.146 -15.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.246 2.858 -15.094 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.915 4.216 -14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.550 4.280 -16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.570 5.616 -16.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.922 4.300 -17.014 1.00 0.00 H new ATOM 385 N ASN A 25 -7.136 3.391 -11.025 1.00 0.00 N ATOM 386 CA ASN A 25 -5.713 3.103 -10.989 1.00 0.00 C ATOM 387 C ASN A 25 -5.463 1.896 -10.083 1.00 0.00 C ATOM 388 O ASN A 25 -4.807 0.937 -10.486 1.00 0.00 O ATOM 389 CB ASN A 25 -4.925 4.288 -10.426 1.00 0.00 C ATOM 390 CG ASN A 25 -4.468 5.224 -11.545 1.00 0.00 C ATOM 391 OD1 ASN A 25 -4.903 6.474 -11.416 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -3.766 4.838 -12.466 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.440 4.119 -10.379 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.384 2.903 -12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.545 4.838 -9.718 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.058 3.924 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.466 3.864 -12.505 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.479 5.490 -13.196 1.00 0.00 H new ATOM 399 N LEU A 26 -6.001 1.983 -8.875 1.00 0.00 N ATOM 400 CA LEU A 26 -5.845 0.909 -7.908 1.00 0.00 C ATOM 401 C LEU A 26 -6.353 -0.399 -8.518 1.00 0.00 C ATOM 402 O LEU A 26 -5.598 -1.363 -8.644 1.00 0.00 O ATOM 403 CB LEU A 26 -6.525 1.274 -6.587 1.00 0.00 C ATOM 404 CG LEU A 26 -5.888 0.698 -5.322 1.00 0.00 C ATOM 405 CD1 LEU A 26 -4.554 1.381 -5.019 1.00 0.00 C ATOM 406 CD2 LEU A 26 -6.854 0.774 -4.137 1.00 0.00 C ATOM 0 H LEU A 26 -6.545 2.780 -8.544 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.792 0.763 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.542 2.360 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.562 0.941 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.676 -0.357 -5.497 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.123 0.952 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.870 1.230 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.717 2.449 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.376 0.358 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.120 1.814 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.755 0.204 -4.365 1.00 0.00 H new ATOM 418 N LEU A 27 -7.626 -0.391 -8.882 1.00 0.00 N ATOM 419 CA LEU A 27 -8.243 -1.565 -9.476 1.00 0.00 C ATOM 420 C LEU A 27 -7.297 -2.157 -10.522 1.00 0.00 C ATOM 421 O LEU A 27 -7.018 -3.355 -10.506 1.00 0.00 O ATOM 422 CB LEU A 27 -9.630 -1.222 -10.024 1.00 0.00 C ATOM 423 CG LEU A 27 -10.798 -1.398 -9.052 1.00 0.00 C ATOM 424 CD1 LEU A 27 -12.002 -0.560 -9.484 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.157 -2.877 -8.888 1.00 0.00 C ATOM 0 H LEU A 27 -8.248 0.410 -8.777 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.406 -2.334 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.619 -0.186 -10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.816 -1.843 -10.901 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.486 -1.032 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.818 -0.704 -8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.723 0.493 -9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.325 -0.872 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.990 -2.974 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.442 -3.292 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.295 -3.420 -8.500 1.00 0.00 H new ATOM 437 N GLN A 28 -6.829 -1.291 -11.409 1.00 0.00 N ATOM 438 CA GLN A 28 -5.921 -1.713 -12.461 1.00 0.00 C ATOM 439 C GLN A 28 -4.676 -2.366 -11.857 1.00 0.00 C ATOM 440 O GLN A 28 -4.166 -3.351 -12.391 1.00 0.00 O ATOM 441 CB GLN A 28 -5.540 -0.537 -13.362 1.00 0.00 C ATOM 442 CG GLN A 28 -5.291 -1.003 -14.798 1.00 0.00 C ATOM 443 CD GLN A 28 -3.863 -0.677 -15.241 1.00 0.00 C ATOM 444 OE1 GLN A 28 -3.336 0.393 -14.987 1.00 0.00 O ATOM 445 NE2 GLN A 28 -3.269 -1.658 -15.915 1.00 0.00 N ATOM 0 H GLN A 28 -7.062 -0.298 -11.420 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.432 -2.451 -13.080 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.336 0.207 -13.351 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.645 -0.052 -12.973 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.462 -2.077 -14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.002 -0.521 -15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.768 -2.529 -16.093 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.314 -1.539 -16.254 1.00 0.00 H new ATOM 454 N LEU A 29 -4.223 -1.793 -10.752 1.00 0.00 N ATOM 455 CA LEU A 29 -3.047 -2.308 -10.070 1.00 0.00 C ATOM 456 C LEU A 29 -3.336 -3.722 -9.562 1.00 0.00 C ATOM 457 O LEU A 29 -2.673 -4.676 -9.964 1.00 0.00 O ATOM 458 CB LEU A 29 -2.599 -1.340 -8.972 1.00 0.00 C ATOM 459 CG LEU A 29 -1.722 -1.936 -7.870 1.00 0.00 C ATOM 460 CD1 LEU A 29 -0.340 -2.309 -8.410 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.634 -0.992 -6.669 1.00 0.00 C ATOM 0 H LEU A 29 -4.649 -0.977 -10.312 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.207 -2.382 -10.761 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.054 -0.519 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.487 -0.910 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.190 -2.857 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.263 -2.730 -7.606 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.447 -3.045 -9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.150 -1.418 -8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.005 -1.440 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.202 -0.042 -6.984 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.633 -0.821 -6.267 1.00 0.00 H new ATOM 473 N GLU A 30 -4.326 -3.811 -8.686 1.00 0.00 N ATOM 474 CA GLU A 30 -4.711 -5.093 -8.120 1.00 0.00 C ATOM 475 C GLU A 30 -4.762 -6.162 -9.212 1.00 0.00 C ATOM 476 O GLU A 30 -4.606 -7.350 -8.932 1.00 0.00 O ATOM 477 CB GLU A 30 -6.052 -4.989 -7.390 1.00 0.00 C ATOM 478 CG GLU A 30 -6.125 -5.987 -6.234 1.00 0.00 C ATOM 479 CD GLU A 30 -7.534 -6.570 -6.100 1.00 0.00 C ATOM 480 OE1 GLU A 30 -8.491 -5.803 -6.343 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.622 -7.769 -5.758 1.00 0.00 O ATOM 0 H GLU A 30 -4.873 -3.017 -8.354 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.958 -5.386 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.186 -3.976 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.867 -5.177 -8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.409 -6.792 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.842 -5.493 -5.304 1.00 0.00 H new ATOM 488 N ALA A 31 -4.981 -5.703 -10.436 1.00 0.00 N ATOM 489 CA ALA A 31 -5.053 -6.605 -11.572 1.00 0.00 C ATOM 490 C ALA A 31 -3.645 -7.083 -11.931 1.00 0.00 C ATOM 491 O ALA A 31 -3.421 -8.276 -12.131 1.00 0.00 O ATOM 492 CB ALA A 31 -5.745 -5.901 -12.740 1.00 0.00 C ATOM 0 H ALA A 31 -5.111 -4.718 -10.665 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.646 -7.486 -11.324 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.799 -6.578 -13.593 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.753 -5.610 -12.444 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.177 -5.013 -13.017 1.00 0.00 H new ATOM 498 N GLN A 32 -2.730 -6.126 -12.001 1.00 0.00 N ATOM 499 CA GLN A 32 -1.349 -6.434 -12.331 1.00 0.00 C ATOM 500 C GLN A 32 -0.939 -7.769 -11.708 1.00 0.00 C ATOM 501 O GLN A 32 -0.877 -7.894 -10.485 1.00 0.00 O ATOM 502 CB GLN A 32 -0.414 -5.309 -11.883 1.00 0.00 C ATOM 503 CG GLN A 32 -0.233 -4.271 -12.993 1.00 0.00 C ATOM 504 CD GLN A 32 0.268 -4.928 -14.281 1.00 0.00 C ATOM 505 OE1 GLN A 32 0.672 -6.078 -14.305 1.00 0.00 O ATOM 506 NE2 GLN A 32 0.219 -4.134 -15.347 1.00 0.00 N ATOM 0 H GLN A 32 -2.919 -5.137 -11.835 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.266 -6.521 -13.414 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.819 -4.828 -10.993 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.555 -5.725 -11.608 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.181 -3.767 -13.182 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.475 -3.508 -12.670 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.131 -3.180 -15.257 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.531 -4.479 -16.255 1.00 0.00 H new ATOM 515 N GLU A 33 -0.669 -8.734 -12.575 1.00 0.00 N ATOM 516 CA GLU A 33 -0.266 -10.055 -12.124 1.00 0.00 C ATOM 517 C GLU A 33 1.119 -9.996 -11.479 1.00 0.00 C ATOM 518 O GLU A 33 2.062 -10.619 -11.967 1.00 0.00 O ATOM 519 CB GLU A 33 -0.293 -11.059 -13.278 1.00 0.00 C ATOM 520 CG GLU A 33 -1.678 -11.689 -13.427 1.00 0.00 C ATOM 521 CD GLU A 33 -1.739 -12.599 -14.655 1.00 0.00 C ATOM 522 OE1 GLU A 33 -1.384 -12.103 -15.746 1.00 0.00 O ATOM 523 OE2 GLU A 33 -2.140 -13.769 -14.476 1.00 0.00 O ATOM 0 H GLU A 33 -0.722 -8.627 -13.588 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.979 -10.395 -11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.016 -10.559 -14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.448 -11.839 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.918 -12.264 -12.532 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.430 -10.905 -13.514 1.00 0.00 H new ATOM 530 N HIS A 34 1.200 -9.241 -10.393 1.00 0.00 N ATOM 531 CA HIS A 34 2.455 -9.093 -9.676 1.00 0.00 C ATOM 532 C HIS A 34 2.232 -8.249 -8.420 1.00 0.00 C ATOM 533 O HIS A 34 2.794 -8.539 -7.365 1.00 0.00 O ATOM 534 CB HIS A 34 3.539 -8.518 -10.592 1.00 0.00 C ATOM 535 CG HIS A 34 3.317 -7.075 -10.977 1.00 0.00 C ATOM 536 ND1 HIS A 34 3.761 -6.016 -10.204 1.00 0.00 N ATOM 537 CD2 HIS A 34 2.693 -6.528 -12.060 1.00 0.00 C ATOM 538 CE1 HIS A 34 3.414 -4.887 -10.804 1.00 0.00 C ATOM 539 NE2 HIS A 34 2.753 -5.206 -11.953 1.00 0.00 N ATOM 0 H HIS A 34 0.417 -8.725 -9.992 1.00 0.00 H new ATOM 0 HA HIS A 34 2.813 -10.071 -9.355 1.00 0.00 H new ATOM 0 HB2 HIS A 34 4.505 -8.606 -10.094 1.00 0.00 H new ATOM 0 HB3 HIS A 34 3.591 -9.121 -11.498 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.229 -7.077 -12.867 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.619 -3.889 -10.446 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.368 -4.538 -12.621 1.00 0.00 H new ATOM 548 N LEU A 35 1.410 -7.222 -8.575 1.00 0.00 N ATOM 549 CA LEU A 35 1.104 -6.334 -7.465 1.00 0.00 C ATOM 550 C LEU A 35 -0.250 -6.718 -6.867 1.00 0.00 C ATOM 551 O LEU A 35 -1.075 -5.851 -6.582 1.00 0.00 O ATOM 552 CB LEU A 35 1.188 -4.872 -7.911 1.00 0.00 C ATOM 553 CG LEU A 35 2.552 -4.198 -7.748 1.00 0.00 C ATOM 554 CD1 LEU A 35 2.579 -2.840 -8.452 1.00 0.00 C ATOM 555 CD2 LEU A 35 2.936 -4.087 -6.271 1.00 0.00 C ATOM 0 H LEU A 35 0.946 -6.984 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 35 1.844 -6.445 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.901 -4.816 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.452 -4.298 -7.348 1.00 0.00 H new ATOM 0 HG LEU A 35 3.303 -4.825 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.559 -2.382 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.382 -2.977 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.815 -2.192 -8.022 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.909 -3.604 -6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.188 -3.494 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.984 -5.083 -5.832 1.00 0.00 H new ATOM 567 N GLN A 36 -0.437 -8.019 -6.694 1.00 0.00 N ATOM 568 CA GLN A 36 -1.677 -8.529 -6.135 1.00 0.00 C ATOM 569 C GLN A 36 -1.807 -8.115 -4.668 1.00 0.00 C ATOM 570 O GLN A 36 -1.802 -8.963 -3.777 1.00 0.00 O ATOM 571 CB GLN A 36 -1.763 -10.048 -6.286 1.00 0.00 C ATOM 572 CG GLN A 36 -2.921 -10.617 -5.464 1.00 0.00 C ATOM 573 CD GLN A 36 -2.413 -11.598 -4.405 1.00 0.00 C ATOM 574 OE1 GLN A 36 -1.293 -12.080 -4.455 1.00 0.00 O ATOM 575 NE2 GLN A 36 -3.295 -11.865 -3.447 1.00 0.00 N ATOM 0 H GLN A 36 0.250 -8.735 -6.931 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.509 -8.095 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.897 -10.305 -7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.826 -10.502 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.463 -9.804 -4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.626 -11.122 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.216 -11.427 -3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.051 -12.508 -2.694 1.00 0.00 H new ATOM 584 N LEU A 37 -1.923 -6.811 -4.462 1.00 0.00 N ATOM 585 CA LEU A 37 -2.053 -6.275 -3.118 1.00 0.00 C ATOM 586 C LEU A 37 -3.424 -6.654 -2.554 1.00 0.00 C ATOM 587 O LEU A 37 -4.312 -7.069 -3.296 1.00 0.00 O ATOM 588 CB LEU A 37 -1.783 -4.769 -3.112 1.00 0.00 C ATOM 589 CG LEU A 37 -0.807 -4.259 -4.177 1.00 0.00 C ATOM 590 CD1 LEU A 37 -1.556 -3.577 -5.323 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.251 -3.344 -3.558 1.00 0.00 C ATOM 0 H LEU A 37 -1.930 -6.110 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.303 -6.713 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.733 -4.249 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.397 -4.493 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.283 -5.116 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.841 -3.224 -6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.239 -4.289 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.123 -2.731 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.931 -2.996 -4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.236 -2.488 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.813 -3.896 -2.805 1.00 0.00 H new ATOM 603 N ASP A 38 -3.553 -6.500 -1.244 1.00 0.00 N ATOM 604 CA ASP A 38 -4.800 -6.822 -0.571 1.00 0.00 C ATOM 605 C ASP A 38 -5.329 -5.573 0.137 1.00 0.00 C ATOM 606 O ASP A 38 -4.692 -5.059 1.056 1.00 0.00 O ATOM 607 CB ASP A 38 -4.593 -7.911 0.483 1.00 0.00 C ATOM 608 CG ASP A 38 -5.804 -8.812 0.728 1.00 0.00 C ATOM 609 OD1 ASP A 38 -6.782 -8.669 -0.036 1.00 0.00 O ATOM 610 OD2 ASP A 38 -5.724 -9.625 1.675 1.00 0.00 O ATOM 0 H ASP A 38 -2.814 -6.156 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.506 -7.177 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.751 -8.534 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.316 -7.436 1.424 1.00 0.00 H new ATOM 615 N PHE A 39 -6.488 -5.121 -0.316 1.00 0.00 N ATOM 616 CA PHE A 39 -7.111 -3.942 0.262 1.00 0.00 C ATOM 617 C PHE A 39 -8.056 -4.325 1.403 1.00 0.00 C ATOM 618 O PHE A 39 -9.018 -5.063 1.195 1.00 0.00 O ATOM 619 CB PHE A 39 -7.918 -3.270 -0.850 1.00 0.00 C ATOM 620 CG PHE A 39 -7.178 -3.173 -2.185 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.935 -2.623 -2.234 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.762 -3.636 -3.322 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.247 -2.532 -3.473 1.00 0.00 C ATOM 624 CE2 PHE A 39 -7.074 -3.545 -4.561 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.831 -2.995 -4.611 1.00 0.00 C ATOM 0 H PHE A 39 -7.013 -5.550 -1.078 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.347 -3.278 0.666 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.844 -3.825 -0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.197 -2.267 -0.527 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.471 -2.255 -1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.749 -4.073 -3.283 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.260 -2.095 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.538 -3.913 -5.464 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.308 -2.926 -5.553 1.00 0.00 H new ATOM 635 N TRP A 40 -7.748 -3.807 2.583 1.00 0.00 N ATOM 636 CA TRP A 40 -8.559 -4.085 3.756 1.00 0.00 C ATOM 637 C TRP A 40 -9.996 -3.662 3.450 1.00 0.00 C ATOM 638 O TRP A 40 -10.934 -4.428 3.673 1.00 0.00 O ATOM 639 CB TRP A 40 -7.984 -3.395 4.995 1.00 0.00 C ATOM 640 CG TRP A 40 -6.617 -3.928 5.427 1.00 0.00 C ATOM 641 CD1 TRP A 40 -5.717 -4.589 4.685 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.025 -3.817 6.739 1.00 0.00 C ATOM 643 NE1 TRP A 40 -4.594 -4.912 5.420 1.00 0.00 N ATOM 644 CE2 TRP A 40 -4.787 -4.427 6.708 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.519 -3.222 7.912 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -3.941 -4.501 7.821 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.662 -3.304 9.016 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.414 -3.914 9.001 1.00 0.00 C ATOM 0 H TRP A 40 -6.948 -3.197 2.752 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.552 -5.151 3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.900 -2.327 4.797 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.685 -3.511 5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.853 -4.838 3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.774 -5.414 5.080 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.484 -2.739 7.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.976 -4.984 7.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.994 -2.862 9.944 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.811 -3.935 9.896 1.00 0.00 H new ATOM 659 N LYS A 41 -10.126 -2.446 2.943 1.00 0.00 N ATOM 660 CA LYS A 41 -11.434 -1.912 2.603 1.00 0.00 C ATOM 661 C LYS A 41 -11.511 -1.685 1.092 1.00 0.00 C ATOM 662 O LYS A 41 -10.947 -0.721 0.575 1.00 0.00 O ATOM 663 CB LYS A 41 -11.733 -0.658 3.428 1.00 0.00 C ATOM 664 CG LYS A 41 -10.718 0.448 3.132 1.00 0.00 C ATOM 665 CD LYS A 41 -10.169 1.049 4.428 1.00 0.00 C ATOM 666 CE LYS A 41 -11.219 1.924 5.115 1.00 0.00 C ATOM 667 NZ LYS A 41 -11.503 1.420 6.478 1.00 0.00 N ATOM 0 H LYS A 41 -9.347 -1.814 2.759 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.215 -2.628 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.739 -0.303 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.710 -0.903 4.490 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.898 0.045 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.189 1.229 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.860 0.250 5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.282 1.643 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.865 2.953 5.168 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.136 1.932 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.808 2.209 7.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.258 0.706 6.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.643 0.991 6.876 1.00 0.00 H new ATOM 681 N SER A 42 -12.213 -2.589 0.425 1.00 0.00 N ATOM 682 CA SER A 42 -12.372 -2.499 -1.017 1.00 0.00 C ATOM 683 C SER A 42 -12.558 -1.039 -1.433 1.00 0.00 C ATOM 684 O SER A 42 -13.609 -0.449 -1.188 1.00 0.00 O ATOM 685 CB SER A 42 -13.555 -3.342 -1.494 1.00 0.00 C ATOM 686 OG SER A 42 -14.784 -2.914 -0.916 1.00 0.00 O ATOM 0 H SER A 42 -12.678 -3.388 0.856 1.00 0.00 H new ATOM 0 HA SER A 42 -11.469 -2.891 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.626 -3.285 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 42 -13.380 -4.388 -1.241 1.00 0.00 H new ATOM 0 HG SER A 42 -14.772 -1.940 -0.806 1.00 0.00 H new ATOM 692 N PRO A 43 -11.495 -0.483 -2.073 1.00 0.00 N ATOM 693 CA PRO A 43 -11.530 0.897 -2.526 1.00 0.00 C ATOM 694 C PRO A 43 -12.401 1.041 -3.775 1.00 0.00 C ATOM 695 O PRO A 43 -11.951 1.565 -4.793 1.00 0.00 O ATOM 696 CB PRO A 43 -10.077 1.270 -2.768 1.00 0.00 C ATOM 697 CG PRO A 43 -9.324 -0.044 -2.891 1.00 0.00 C ATOM 698 CD PRO A 43 -10.233 -1.151 -2.381 1.00 0.00 C ATOM 0 HA PRO A 43 -11.982 1.568 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.973 1.866 -3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.685 1.869 -1.946 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.043 -0.228 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.401 -0.011 -2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.370 -1.929 -3.132 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.814 -1.632 -1.497 1.00 0.00 H new ATOM 706 N THR A 44 -13.634 0.568 -3.657 1.00 0.00 N ATOM 707 CA THR A 44 -14.572 0.637 -4.765 1.00 0.00 C ATOM 708 C THR A 44 -14.897 2.095 -5.097 1.00 0.00 C ATOM 709 O THR A 44 -14.649 2.551 -6.212 1.00 0.00 O ATOM 710 CB THR A 44 -15.803 -0.190 -4.394 1.00 0.00 C ATOM 711 OG1 THR A 44 -15.501 -1.498 -4.876 1.00 0.00 O ATOM 712 CG2 THR A 44 -17.046 0.221 -5.186 1.00 0.00 C ATOM 0 H THR A 44 -14.005 0.136 -2.811 1.00 0.00 H new ATOM 0 HA THR A 44 -14.142 0.217 -5.674 1.00 0.00 H new ATOM 0 HB THR A 44 -16.002 -0.086 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 44 -16.247 -2.101 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.891 -0.398 -4.884 1.00 0.00 H new ATOM 0 HG22 THR A 44 -17.274 1.268 -4.988 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.860 0.085 -6.251 1.00 0.00 H new ATOM 720 N THR A 45 -15.447 2.785 -4.109 1.00 0.00 N ATOM 721 CA THR A 45 -15.809 4.181 -4.283 1.00 0.00 C ATOM 722 C THR A 45 -14.899 5.077 -3.440 1.00 0.00 C ATOM 723 O THR A 45 -14.226 4.601 -2.527 1.00 0.00 O ATOM 724 CB THR A 45 -17.293 4.331 -3.943 1.00 0.00 C ATOM 725 OG1 THR A 45 -17.326 4.320 -2.519 1.00 0.00 O ATOM 726 CG2 THR A 45 -18.113 3.103 -4.344 1.00 0.00 C ATOM 0 H THR A 45 -15.651 2.403 -3.185 1.00 0.00 H new ATOM 0 HA THR A 45 -15.663 4.502 -5.315 1.00 0.00 H new ATOM 0 HB THR A 45 -17.692 5.213 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 45 -18.252 4.414 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 45 -19.159 3.262 -4.081 1.00 0.00 H new ATOM 0 HG22 THR A 45 -18.030 2.945 -5.419 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.736 2.226 -3.818 1.00 0.00 H new ATOM 734 N PRO A 46 -14.908 6.393 -3.784 1.00 0.00 N ATOM 735 CA PRO A 46 -14.092 7.359 -3.069 1.00 0.00 C ATOM 736 C PRO A 46 -14.694 7.678 -1.700 1.00 0.00 C ATOM 737 O PRO A 46 -15.762 7.177 -1.355 1.00 0.00 O ATOM 738 CB PRO A 46 -14.023 8.570 -3.985 1.00 0.00 C ATOM 739 CG PRO A 46 -15.177 8.419 -4.963 1.00 0.00 C ATOM 740 CD PRO A 46 -15.692 6.993 -4.859 1.00 0.00 C ATOM 0 HA PRO A 46 -13.092 6.985 -2.850 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.112 9.496 -3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.069 8.609 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.970 9.129 -4.730 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -14.846 8.632 -5.980 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.758 6.973 -4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.556 6.454 -5.796 1.00 0.00 H new ATOM 748 N GLY A 47 -13.982 8.511 -0.955 1.00 0.00 N ATOM 749 CA GLY A 47 -14.432 8.903 0.369 1.00 0.00 C ATOM 750 C GLY A 47 -13.936 7.920 1.431 1.00 0.00 C ATOM 751 O GLY A 47 -13.559 8.325 2.530 1.00 0.00 O ATOM 0 H GLY A 47 -13.096 8.925 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.069 9.905 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.521 8.946 0.389 1.00 0.00 H new ATOM 755 N GLU A 48 -13.952 6.646 1.066 1.00 0.00 N ATOM 756 CA GLU A 48 -13.508 5.602 1.973 1.00 0.00 C ATOM 757 C GLU A 48 -12.042 5.254 1.706 1.00 0.00 C ATOM 758 O GLU A 48 -11.732 4.561 0.737 1.00 0.00 O ATOM 759 CB GLU A 48 -14.395 4.361 1.858 1.00 0.00 C ATOM 760 CG GLU A 48 -14.682 4.027 0.393 1.00 0.00 C ATOM 761 CD GLU A 48 -14.945 2.530 0.214 1.00 0.00 C ATOM 762 OE1 GLU A 48 -14.434 1.760 1.056 1.00 0.00 O ATOM 763 OE2 GLU A 48 -15.650 2.190 -0.760 1.00 0.00 O ATOM 0 H GLU A 48 -14.266 6.314 0.154 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.593 5.975 2.994 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.906 3.514 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.333 4.530 2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.546 4.595 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.836 4.328 -0.225 1.00 0.00 H new ATOM 770 N THR A 49 -11.180 5.751 2.579 1.00 0.00 N ATOM 771 CA THR A 49 -9.754 5.501 2.449 1.00 0.00 C ATOM 772 C THR A 49 -9.475 3.996 2.438 1.00 0.00 C ATOM 773 O THR A 49 -10.245 3.214 2.993 1.00 0.00 O ATOM 774 CB THR A 49 -9.039 6.243 3.580 1.00 0.00 C ATOM 775 OG1 THR A 49 -9.435 5.546 4.758 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.581 7.659 3.786 1.00 0.00 C ATOM 0 H THR A 49 -11.441 6.326 3.380 1.00 0.00 H new ATOM 0 HA THR A 49 -9.371 5.878 1.500 1.00 0.00 H new ATOM 0 HB THR A 49 -7.972 6.290 3.364 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.700 4.973 5.061 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.039 8.141 4.600 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.449 8.236 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.641 7.610 4.035 1.00 0.00 H new ATOM 784 N ALA A 50 -8.371 3.637 1.800 1.00 0.00 N ATOM 785 CA ALA A 50 -7.981 2.240 1.709 1.00 0.00 C ATOM 786 C ALA A 50 -6.726 2.010 2.553 1.00 0.00 C ATOM 787 O ALA A 50 -5.977 2.946 2.826 1.00 0.00 O ATOM 788 CB ALA A 50 -7.774 1.862 0.241 1.00 0.00 C ATOM 0 H ALA A 50 -7.734 4.289 1.341 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.767 1.596 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.481 0.814 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.702 2.016 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.990 2.486 -0.188 1.00 0.00 H new ATOM 794 N HIS A 51 -6.535 0.757 2.942 1.00 0.00 N ATOM 795 CA HIS A 51 -5.384 0.392 3.750 1.00 0.00 C ATOM 796 C HIS A 51 -4.943 -1.031 3.401 1.00 0.00 C ATOM 797 O HIS A 51 -5.502 -2.000 3.912 1.00 0.00 O ATOM 798 CB HIS A 51 -5.685 0.572 5.240 1.00 0.00 C ATOM 799 CG HIS A 51 -6.685 1.663 5.536 1.00 0.00 C ATOM 800 ND1 HIS A 51 -7.920 1.413 6.111 1.00 0.00 N ATOM 801 CD2 HIS A 51 -6.621 3.010 5.333 1.00 0.00 C ATOM 802 CE1 HIS A 51 -8.560 2.566 6.242 1.00 0.00 C ATOM 803 NE2 HIS A 51 -7.754 3.554 5.759 1.00 0.00 N ATOM 0 H HIS A 51 -7.158 -0.017 2.712 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.552 1.059 3.525 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.060 -0.370 5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.755 0.793 5.764 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -8.276 0.498 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.789 3.544 4.899 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.547 2.700 6.659 1.00 0.00 H new ATOM 812 N VAL A 52 -3.945 -1.112 2.534 1.00 0.00 N ATOM 813 CA VAL A 52 -3.423 -2.400 2.111 1.00 0.00 C ATOM 814 C VAL A 52 -2.025 -2.598 2.701 1.00 0.00 C ATOM 815 O VAL A 52 -1.241 -1.654 2.777 1.00 0.00 O ATOM 816 CB VAL A 52 -3.447 -2.499 0.585 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.281 -1.120 -0.057 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.378 -3.470 0.081 1.00 0.00 C ATOM 0 H VAL A 52 -3.484 -0.306 2.113 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.051 -3.208 2.486 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.421 -2.891 0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.302 -1.219 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.094 -0.469 0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.328 -0.688 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.417 -3.521 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.394 -3.121 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.561 -4.460 0.498 1.00 0.00 H new ATOM 828 N ARG A 53 -1.756 -3.831 3.103 1.00 0.00 N ATOM 829 CA ARG A 53 -0.467 -4.164 3.684 1.00 0.00 C ATOM 830 C ARG A 53 0.535 -4.519 2.583 1.00 0.00 C ATOM 831 O ARG A 53 0.712 -5.692 2.256 1.00 0.00 O ATOM 832 CB ARG A 53 -0.587 -5.341 4.654 1.00 0.00 C ATOM 833 CG ARG A 53 0.458 -5.244 5.766 1.00 0.00 C ATOM 834 CD ARG A 53 1.230 -6.557 5.910 1.00 0.00 C ATOM 835 NE ARG A 53 0.331 -7.620 6.416 1.00 0.00 N ATOM 836 CZ ARG A 53 0.750 -8.823 6.832 1.00 0.00 C ATOM 837 NH1 ARG A 53 2.055 -9.123 6.805 1.00 0.00 N ATOM 838 NH2 ARG A 53 -0.137 -9.724 7.274 1.00 0.00 N ATOM 0 H ARG A 53 -2.409 -4.612 3.038 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.115 -3.291 4.233 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.586 -5.357 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.460 -6.278 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 53 1.152 -4.432 5.548 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.031 -5.000 6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.648 -6.850 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.068 -6.422 6.593 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.669 -7.424 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.729 -8.436 6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.374 -10.038 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.131 -9.494 7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.181 -10.640 7.591 1.00 0.00 H new ATOM 852 N VAL A 54 1.164 -3.486 2.044 1.00 0.00 N ATOM 853 CA VAL A 54 2.143 -3.674 0.987 1.00 0.00 C ATOM 854 C VAL A 54 3.519 -3.917 1.610 1.00 0.00 C ATOM 855 O VAL A 54 3.831 -3.370 2.667 1.00 0.00 O ATOM 856 CB VAL A 54 2.121 -2.478 0.033 1.00 0.00 C ATOM 857 CG1 VAL A 54 3.114 -1.403 0.478 1.00 0.00 C ATOM 858 CG2 VAL A 54 2.398 -2.919 -1.405 1.00 0.00 C ATOM 0 H VAL A 54 1.015 -2.515 2.319 1.00 0.00 H new ATOM 0 HA VAL A 54 1.896 -4.552 0.390 1.00 0.00 H new ATOM 0 HB VAL A 54 1.122 -2.044 0.064 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.078 -0.564 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.852 -1.057 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.121 -1.821 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.377 -2.050 -2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.379 -3.390 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.636 -3.631 -1.720 1.00 0.00 H new ATOM 868 N PRO A 55 4.327 -4.759 0.911 1.00 0.00 N ATOM 869 CA PRO A 55 5.663 -5.079 1.385 1.00 0.00 C ATOM 870 C PRO A 55 6.622 -3.911 1.153 1.00 0.00 C ATOM 871 O PRO A 55 6.617 -3.301 0.084 1.00 0.00 O ATOM 872 CB PRO A 55 6.059 -6.333 0.623 1.00 0.00 C ATOM 873 CG PRO A 55 5.131 -6.402 -0.579 1.00 0.00 C ATOM 874 CD PRO A 55 3.991 -5.424 -0.345 1.00 0.00 C ATOM 0 HA PRO A 55 5.698 -5.254 2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.102 -6.286 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.954 -7.219 1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.670 -6.149 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.746 -7.414 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.909 -4.708 -1.163 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.034 -5.940 -0.276 1.00 0.00 H new ATOM 882 N PHE A 56 7.424 -3.633 2.171 1.00 0.00 N ATOM 883 CA PHE A 56 8.387 -2.549 2.092 1.00 0.00 C ATOM 884 C PHE A 56 9.213 -2.641 0.807 1.00 0.00 C ATOM 885 O PHE A 56 9.516 -1.625 0.185 1.00 0.00 O ATOM 886 CB PHE A 56 9.321 -2.690 3.295 1.00 0.00 C ATOM 887 CG PHE A 56 10.004 -1.386 3.709 1.00 0.00 C ATOM 888 CD1 PHE A 56 9.363 -0.515 4.534 1.00 0.00 C ATOM 889 CD2 PHE A 56 11.253 -1.098 3.254 1.00 0.00 C ATOM 890 CE1 PHE A 56 9.998 0.696 4.919 1.00 0.00 C ATOM 891 CE2 PHE A 56 11.888 0.113 3.639 1.00 0.00 C ATOM 892 CZ PHE A 56 11.247 0.984 4.462 1.00 0.00 C ATOM 0 H PHE A 56 7.426 -4.141 3.056 1.00 0.00 H new ATOM 0 HA PHE A 56 7.868 -1.591 2.091 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.751 -3.074 4.141 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.086 -3.431 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.372 -0.744 4.896 1.00 0.00 H new ATOM 0 HD2 PHE A 56 11.762 -1.790 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.490 1.388 5.574 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.880 0.341 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.729 1.905 4.754 1.00 0.00 H new ATOM 902 N VAL A 57 9.551 -3.870 0.447 1.00 0.00 N ATOM 903 CA VAL A 57 10.336 -4.109 -0.752 1.00 0.00 C ATOM 904 C VAL A 57 9.505 -3.738 -1.983 1.00 0.00 C ATOM 905 O VAL A 57 10.049 -3.541 -3.067 1.00 0.00 O ATOM 906 CB VAL A 57 10.827 -5.558 -0.777 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.702 -6.524 -0.402 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.423 -5.913 -2.141 1.00 0.00 C ATOM 0 H VAL A 57 9.296 -4.711 0.964 1.00 0.00 H new ATOM 0 HA VAL A 57 11.225 -3.479 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 57 11.616 -5.657 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.077 -7.547 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.344 -6.294 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.882 -6.421 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.764 -6.948 -2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.664 -5.789 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.266 -5.255 -2.352 1.00 0.00 H new ATOM 918 N ASN A 58 8.199 -3.656 -1.772 1.00 0.00 N ATOM 919 CA ASN A 58 7.287 -3.313 -2.850 1.00 0.00 C ATOM 920 C ASN A 58 6.520 -2.044 -2.478 1.00 0.00 C ATOM 921 O ASN A 58 5.532 -1.700 -3.125 1.00 0.00 O ATOM 922 CB ASN A 58 6.269 -4.430 -3.086 1.00 0.00 C ATOM 923 CG ASN A 58 5.676 -4.343 -4.495 1.00 0.00 C ATOM 924 OD1 ASN A 58 5.025 -3.380 -4.863 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.939 -5.401 -5.258 1.00 0.00 N ATOM 0 H ASN A 58 7.751 -3.821 -0.871 1.00 0.00 H new ATOM 0 HA ASN A 58 7.875 -3.165 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.749 -5.399 -2.949 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.471 -4.362 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.588 -5.439 -6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.491 -6.174 -4.886 1.00 0.00 H new ATOM 932 N VAL A 59 7.002 -1.383 -1.437 1.00 0.00 N ATOM 933 CA VAL A 59 6.373 -0.159 -0.970 1.00 0.00 C ATOM 934 C VAL A 59 6.729 0.987 -1.921 1.00 0.00 C ATOM 935 O VAL A 59 5.953 1.927 -2.084 1.00 0.00 O ATOM 936 CB VAL A 59 6.778 0.119 0.479 1.00 0.00 C ATOM 937 CG1 VAL A 59 6.845 1.624 0.751 1.00 0.00 C ATOM 938 CG2 VAL A 59 5.826 -0.573 1.456 1.00 0.00 C ATOM 0 H VAL A 59 7.822 -1.672 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 59 5.288 -0.262 -0.975 1.00 0.00 H new ATOM 0 HB VAL A 59 7.775 -0.294 0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.135 1.794 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.581 2.081 0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.867 2.070 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.136 -0.359 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.812 -0.204 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.850 -1.650 1.287 1.00 0.00 H new ATOM 948 N GLN A 60 7.904 0.870 -2.522 1.00 0.00 N ATOM 949 CA GLN A 60 8.372 1.884 -3.452 1.00 0.00 C ATOM 950 C GLN A 60 7.550 1.842 -4.741 1.00 0.00 C ATOM 951 O GLN A 60 6.869 2.810 -5.079 1.00 0.00 O ATOM 952 CB GLN A 60 9.864 1.710 -3.746 1.00 0.00 C ATOM 953 CG GLN A 60 10.499 3.039 -4.160 1.00 0.00 C ATOM 954 CD GLN A 60 11.950 2.839 -4.601 1.00 0.00 C ATOM 955 OE1 GLN A 60 12.616 1.891 -4.222 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.401 3.784 -5.421 1.00 0.00 N ATOM 0 H GLN A 60 8.546 0.089 -2.383 1.00 0.00 H new ATOM 0 HA GLN A 60 8.238 2.863 -2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.370 1.321 -2.862 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.999 0.975 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.925 3.482 -4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.462 3.739 -3.326 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.790 4.552 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.358 3.741 -5.771 1.00 0.00 H new ATOM 965 N ALA A 61 7.641 0.713 -5.427 1.00 0.00 N ATOM 966 CA ALA A 61 6.914 0.532 -6.672 1.00 0.00 C ATOM 967 C ALA A 61 5.495 1.081 -6.513 1.00 0.00 C ATOM 968 O ALA A 61 4.971 1.730 -7.418 1.00 0.00 O ATOM 969 CB ALA A 61 6.926 -0.948 -7.061 1.00 0.00 C ATOM 0 H ALA A 61 8.208 -0.087 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 61 7.393 1.085 -7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.380 -1.083 -7.995 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.956 -1.282 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.451 -1.535 -6.275 1.00 0.00 H new ATOM 975 N VAL A 62 4.912 0.800 -5.356 1.00 0.00 N ATOM 976 CA VAL A 62 3.564 1.258 -5.067 1.00 0.00 C ATOM 977 C VAL A 62 3.582 2.770 -4.832 1.00 0.00 C ATOM 978 O VAL A 62 2.728 3.491 -5.345 1.00 0.00 O ATOM 979 CB VAL A 62 2.988 0.476 -3.884 1.00 0.00 C ATOM 980 CG1 VAL A 62 1.523 0.844 -3.646 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.149 -1.031 -4.093 1.00 0.00 C ATOM 0 H VAL A 62 5.349 0.261 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 62 2.907 1.069 -5.916 1.00 0.00 H new ATOM 0 HB VAL A 62 3.551 0.752 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.138 0.275 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.446 1.910 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.940 0.610 -4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.732 -1.563 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.623 -1.331 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.207 -1.274 -4.190 1.00 0.00 H new ATOM 991 N LYS A 63 4.565 3.203 -4.056 1.00 0.00 N ATOM 992 CA LYS A 63 4.706 4.617 -3.747 1.00 0.00 C ATOM 993 C LYS A 63 4.823 5.410 -5.050 1.00 0.00 C ATOM 994 O LYS A 63 4.341 6.538 -5.140 1.00 0.00 O ATOM 995 CB LYS A 63 5.873 4.841 -2.784 1.00 0.00 C ATOM 996 CG LYS A 63 5.403 4.780 -1.329 1.00 0.00 C ATOM 997 CD LYS A 63 4.790 6.113 -0.895 1.00 0.00 C ATOM 998 CE LYS A 63 4.867 6.284 0.624 1.00 0.00 C ATOM 999 NZ LYS A 63 4.875 7.718 0.984 1.00 0.00 N ATOM 0 H LYS A 63 5.271 2.601 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 63 3.820 4.984 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.640 4.085 -2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.331 5.810 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.668 3.983 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.244 4.534 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.314 6.934 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.750 6.161 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.017 5.790 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.768 5.802 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.819 7.984 1.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.640 8.288 0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.171 7.893 1.730 1.00 0.00 H new ATOM 1013 N VAL A 64 5.468 4.790 -6.027 1.00 0.00 N ATOM 1014 CA VAL A 64 5.655 5.425 -7.321 1.00 0.00 C ATOM 1015 C VAL A 64 4.329 5.417 -8.085 1.00 0.00 C ATOM 1016 O VAL A 64 4.011 6.370 -8.794 1.00 0.00 O ATOM 1017 CB VAL A 64 6.788 4.734 -8.084 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.693 5.020 -9.584 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.152 5.149 -7.531 1.00 0.00 C ATOM 0 H VAL A 64 5.868 3.855 -5.949 1.00 0.00 H new ATOM 0 HA VAL A 64 5.952 6.466 -7.196 1.00 0.00 H new ATOM 0 HB VAL A 64 6.682 3.659 -7.942 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.509 4.518 -10.103 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.740 4.652 -9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.762 6.094 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.940 4.644 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.271 6.228 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.218 4.871 -6.479 1.00 0.00 H new ATOM 1029 N PHE A 65 3.591 4.330 -7.913 1.00 0.00 N ATOM 1030 CA PHE A 65 2.306 4.185 -8.577 1.00 0.00 C ATOM 1031 C PHE A 65 1.346 5.303 -8.164 1.00 0.00 C ATOM 1032 O PHE A 65 0.799 6.003 -9.015 1.00 0.00 O ATOM 1033 CB PHE A 65 1.723 2.841 -8.136 1.00 0.00 C ATOM 1034 CG PHE A 65 0.502 2.398 -8.943 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.631 2.107 -10.266 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.711 2.293 -8.339 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.503 1.695 -11.016 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.846 1.881 -9.089 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.717 1.591 -10.412 1.00 0.00 C ATOM 0 H PHE A 65 3.858 3.541 -7.324 1.00 0.00 H new ATOM 0 HA PHE A 65 2.438 4.236 -9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.496 2.077 -8.217 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.447 2.904 -7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.595 2.189 -10.746 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.813 2.523 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.401 1.464 -12.066 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.810 1.798 -8.609 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.579 1.278 -10.983 1.00 0.00 H new ATOM 1049 N LEU A 66 1.172 5.437 -6.858 1.00 0.00 N ATOM 1050 CA LEU A 66 0.288 6.459 -6.321 1.00 0.00 C ATOM 1051 C LEU A 66 0.683 7.821 -6.896 1.00 0.00 C ATOM 1052 O LEU A 66 -0.128 8.485 -7.539 1.00 0.00 O ATOM 1053 CB LEU A 66 0.284 6.414 -4.792 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.495 5.260 -4.157 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.407 4.425 -3.246 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.734 5.774 -3.421 1.00 0.00 C ATOM 0 H LEU A 66 1.628 4.855 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.742 6.271 -6.625 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.317 6.362 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.129 7.352 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.843 4.604 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.171 3.612 -2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.230 4.012 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.806 5.056 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.269 4.934 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.430 6.464 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.387 6.291 -4.125 1.00 0.00 H new ATOM 1068 N GLU A 67 1.928 8.196 -6.642 1.00 0.00 N ATOM 1069 CA GLU A 67 2.439 9.468 -7.125 1.00 0.00 C ATOM 1070 C GLU A 67 2.145 9.625 -8.618 1.00 0.00 C ATOM 1071 O GLU A 67 1.766 10.704 -9.070 1.00 0.00 O ATOM 1072 CB GLU A 67 3.938 9.598 -6.844 1.00 0.00 C ATOM 1073 CG GLU A 67 4.323 11.056 -6.586 1.00 0.00 C ATOM 1074 CD GLU A 67 5.221 11.592 -7.703 1.00 0.00 C ATOM 1075 OE1 GLU A 67 4.823 11.430 -8.878 1.00 0.00 O ATOM 1076 OE2 GLU A 67 6.283 12.152 -7.357 1.00 0.00 O ATOM 0 H GLU A 67 2.598 7.642 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 67 1.931 10.270 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.204 8.990 -5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.505 9.213 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.423 11.666 -6.514 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.840 11.136 -5.629 1.00 0.00 H new ATOM 1083 N SER A 68 2.331 8.531 -9.343 1.00 0.00 N ATOM 1084 CA SER A 68 2.090 8.534 -10.776 1.00 0.00 C ATOM 1085 C SER A 68 0.640 8.928 -11.063 1.00 0.00 C ATOM 1086 O SER A 68 0.370 9.677 -12.001 1.00 0.00 O ATOM 1087 CB SER A 68 2.400 7.167 -11.390 1.00 0.00 C ATOM 1088 OG SER A 68 2.254 7.172 -12.807 1.00 0.00 O ATOM 0 H SER A 68 2.646 7.637 -8.965 1.00 0.00 H new ATOM 0 HA SER A 68 2.756 9.267 -11.232 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.418 6.876 -11.132 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.736 6.417 -10.960 1.00 0.00 H new ATOM 0 HG SER A 68 2.462 6.282 -13.160 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.255 8.407 -10.236 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.672 8.695 -10.390 1.00 0.00 C ATOM 1096 C GLN A 69 -2.047 9.949 -9.598 1.00 0.00 C ATOM 1097 O GLN A 69 -3.203 10.125 -9.217 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.524 7.500 -9.958 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.201 7.087 -8.520 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.224 6.075 -7.998 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -4.421 6.308 -7.998 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -2.686 4.942 -7.555 1.00 0.00 N ATOM 0 H GLN A 69 -0.027 7.788 -9.458 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.873 8.881 -11.445 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.581 7.754 -10.038 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.346 6.660 -10.630 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.202 6.654 -8.478 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.194 7.967 -7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.675 4.812 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.285 4.203 -7.186 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.046 10.790 -9.374 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.256 12.023 -8.635 1.00 0.00 C ATOM 1113 C GLY A 70 -2.292 11.828 -7.527 1.00 0.00 C ATOM 1114 O GLY A 70 -3.184 12.658 -7.352 1.00 0.00 O ATOM 0 H GLY A 70 -0.088 10.641 -9.692 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.313 12.357 -8.202 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.589 12.807 -9.315 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.140 10.726 -6.806 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.052 10.412 -5.719 1.00 0.00 C ATOM 1120 C ILE A 71 -2.440 10.876 -4.395 1.00 0.00 C ATOM 1121 O ILE A 71 -1.294 11.322 -4.360 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.419 8.928 -5.739 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.645 8.653 -4.867 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.223 8.061 -5.337 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.398 7.412 -5.353 1.00 0.00 C ATOM 0 H ILE A 71 -1.399 10.040 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.991 10.951 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.684 8.657 -6.761 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.335 8.512 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.310 9.517 -4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.512 7.010 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.402 8.227 -6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.902 8.328 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.265 7.240 -4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.728 7.566 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.738 6.546 -5.310 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.231 10.753 -3.339 1.00 0.00 N ATOM 1138 CA ALA A 72 -2.781 11.153 -2.017 1.00 0.00 C ATOM 1139 C ALA A 72 -2.871 9.957 -1.068 1.00 0.00 C ATOM 1140 O ALA A 72 -3.955 9.423 -0.839 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.611 12.345 -1.535 1.00 0.00 C ATOM 0 H ALA A 72 -4.181 10.382 -3.372 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.739 11.472 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.274 12.646 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.488 13.178 -2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.663 12.062 -1.490 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.719 9.572 -0.540 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.654 8.449 0.379 1.00 0.00 C ATOM 1149 C TYR A 73 -0.934 8.839 1.672 1.00 0.00 C ATOM 1150 O TYR A 73 -0.655 10.015 1.900 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.843 7.366 -0.334 1.00 0.00 C ATOM 1152 CG TYR A 73 0.253 7.913 -1.252 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.088 8.574 -2.415 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.581 7.745 -0.919 1.00 0.00 C ATOM 1155 CE1 TYR A 73 0.943 9.089 -3.279 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.612 8.258 -1.782 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.242 8.905 -2.920 1.00 0.00 C ATOM 1158 OH TYR A 73 3.216 9.391 -3.736 1.00 0.00 O ATOM 0 H TYR A 73 -0.822 10.018 -0.731 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.656 8.114 0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.386 6.717 0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.520 6.747 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.128 8.705 -2.677 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.847 7.228 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.690 9.609 -4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.655 8.132 -1.532 1.00 0.00 H new ATOM 0 HH TYR A 73 4.095 9.187 -3.353 1.00 0.00 H new ATOM 1168 N SER A 74 -0.658 7.831 2.485 1.00 0.00 N ATOM 1169 CA SER A 74 0.023 8.053 3.748 1.00 0.00 C ATOM 1170 C SER A 74 0.656 6.749 4.239 1.00 0.00 C ATOM 1171 O SER A 74 0.160 5.664 3.942 1.00 0.00 O ATOM 1172 CB SER A 74 -0.939 8.606 4.803 1.00 0.00 C ATOM 1173 OG SER A 74 -0.254 9.329 5.823 1.00 0.00 O ATOM 0 H SER A 74 -0.894 6.857 2.293 1.00 0.00 H new ATOM 0 HA SER A 74 0.808 8.792 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.668 9.259 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.496 7.784 5.253 1.00 0.00 H new ATOM 0 HG SER A 74 -0.902 9.667 6.476 1.00 0.00 H new ATOM 1179 N ILE A 75 1.742 6.899 4.984 1.00 0.00 N ATOM 1180 CA ILE A 75 2.447 5.746 5.519 1.00 0.00 C ATOM 1181 C ILE A 75 2.085 5.574 6.996 1.00 0.00 C ATOM 1182 O ILE A 75 2.449 6.402 7.829 1.00 0.00 O ATOM 1183 CB ILE A 75 3.951 5.873 5.265 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.239 6.089 3.779 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.705 4.667 5.827 1.00 0.00 C ATOM 1186 CD1 ILE A 75 5.444 7.012 3.582 1.00 0.00 C ATOM 0 H ILE A 75 2.151 7.801 5.230 1.00 0.00 H new ATOM 0 HA ILE A 75 2.136 4.836 5.006 1.00 0.00 H new ATOM 0 HB ILE A 75 4.314 6.754 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.429 5.129 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.363 6.520 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.771 4.782 5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.536 4.601 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.345 3.757 5.347 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.627 7.149 2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.241 7.979 4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.323 6.566 4.047 1.00 0.00 H new ATOM 1198 N MET A 76 1.373 4.491 7.274 1.00 0.00 N ATOM 1199 CA MET A 76 0.958 4.198 8.635 1.00 0.00 C ATOM 1200 C MET A 76 2.111 3.598 9.443 1.00 0.00 C ATOM 1201 O MET A 76 2.907 4.328 10.033 1.00 0.00 O ATOM 1202 CB MET A 76 -0.214 3.215 8.611 1.00 0.00 C ATOM 1203 CG MET A 76 -0.501 2.670 10.012 1.00 0.00 C ATOM 1204 SD MET A 76 -2.263 2.598 10.290 1.00 0.00 S ATOM 1205 CE MET A 76 -2.299 1.643 11.798 1.00 0.00 C ATOM 0 H MET A 76 1.073 3.806 6.580 1.00 0.00 H new ATOM 0 HA MET A 76 0.653 5.130 9.110 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.102 3.712 8.221 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.012 2.390 7.935 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.066 1.676 10.121 1.00 0.00 H new ATOM 0 HG3 MET A 76 -0.032 3.307 10.762 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.332 1.503 12.115 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.838 0.671 11.624 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.749 2.171 12.577 1.00 0.00 H new ATOM 1215 N ILE A 77 2.164 2.274 9.444 1.00 0.00 N ATOM 1216 CA ILE A 77 3.207 1.568 10.170 1.00 0.00 C ATOM 1217 C ILE A 77 4.474 1.520 9.314 1.00 0.00 C ATOM 1218 O ILE A 77 4.469 1.956 8.165 1.00 0.00 O ATOM 1219 CB ILE A 77 2.711 0.190 10.613 1.00 0.00 C ATOM 1220 CG1 ILE A 77 2.037 -0.549 9.456 1.00 0.00 C ATOM 1221 CG2 ILE A 77 1.794 0.304 11.833 1.00 0.00 C ATOM 1222 CD1 ILE A 77 2.072 -2.063 9.677 1.00 0.00 C ATOM 0 H ILE A 77 1.502 1.672 8.954 1.00 0.00 H new ATOM 0 HA ILE A 77 3.461 2.100 11.087 1.00 0.00 H new ATOM 0 HB ILE A 77 3.575 -0.403 10.913 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.004 -0.216 9.360 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.540 -0.303 8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.455 -0.689 12.128 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.341 0.760 12.658 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.932 0.922 11.583 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.586 -2.564 8.840 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.107 -2.396 9.748 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.547 -2.308 10.601 1.00 0.00 H new ATOM 1234 N GLU A 78 5.531 0.984 9.908 1.00 0.00 N ATOM 1235 CA GLU A 78 6.803 0.872 9.214 1.00 0.00 C ATOM 1236 C GLU A 78 7.631 -0.270 9.807 1.00 0.00 C ATOM 1237 O GLU A 78 7.087 -1.308 10.178 1.00 0.00 O ATOM 1238 CB GLU A 78 7.573 2.193 9.267 1.00 0.00 C ATOM 1239 CG GLU A 78 8.474 2.351 8.041 1.00 0.00 C ATOM 1240 CD GLU A 78 9.808 2.998 8.420 1.00 0.00 C ATOM 1241 OE1 GLU A 78 9.858 4.247 8.399 1.00 0.00 O ATOM 1242 OE2 GLU A 78 10.746 2.230 8.723 1.00 0.00 O ATOM 0 H GLU A 78 5.532 0.623 10.862 1.00 0.00 H new ATOM 0 HA GLU A 78 6.606 0.646 8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.871 3.026 9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.177 2.230 10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.654 1.375 7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.970 2.961 7.291 1.00 0.00 H new ATOM 1249 N ASP A 79 8.934 -0.039 9.876 1.00 0.00 N ATOM 1250 CA ASP A 79 9.843 -1.035 10.417 1.00 0.00 C ATOM 1251 C ASP A 79 10.959 -0.334 11.193 1.00 0.00 C ATOM 1252 O ASP A 79 12.139 -0.594 10.962 1.00 0.00 O ATOM 1253 CB ASP A 79 10.489 -1.856 9.299 1.00 0.00 C ATOM 1254 CG ASP A 79 10.849 -3.294 9.677 1.00 0.00 C ATOM 1255 OD1 ASP A 79 9.941 -3.993 10.176 1.00 0.00 O ATOM 1256 OD2 ASP A 79 12.023 -3.661 9.458 1.00 0.00 O ATOM 0 H ASP A 79 9.382 0.824 9.566 1.00 0.00 H new ATOM 0 HA ASP A 79 9.270 -1.697 11.066 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.809 -1.880 8.447 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.394 -1.345 8.970 1.00 0.00 H new ATOM 1261 N VAL A 80 10.547 0.542 12.098 1.00 0.00 N ATOM 1262 CA VAL A 80 11.496 1.283 12.910 1.00 0.00 C ATOM 1263 C VAL A 80 11.643 0.598 14.270 1.00 0.00 C ATOM 1264 O VAL A 80 10.696 0.557 15.054 1.00 0.00 O ATOM 1265 CB VAL A 80 11.061 2.746 13.021 1.00 0.00 C ATOM 1266 CG1 VAL A 80 10.029 2.926 14.136 1.00 0.00 C ATOM 1267 CG2 VAL A 80 12.266 3.662 13.236 1.00 0.00 C ATOM 0 H VAL A 80 9.567 0.755 12.287 1.00 0.00 H new ATOM 0 HA VAL A 80 12.479 1.285 12.440 1.00 0.00 H new ATOM 0 HB VAL A 80 10.591 3.029 12.079 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.736 3.974 14.195 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.152 2.315 13.922 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.463 2.617 15.087 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.928 4.696 13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 80 12.778 3.380 14.156 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.952 3.565 12.394 1.00 0.00 H new ATOM 1277 N GLN A 81 12.837 0.075 14.507 1.00 0.00 N ATOM 1278 CA GLN A 81 13.120 -0.607 15.759 1.00 0.00 C ATOM 1279 C GLN A 81 12.503 0.158 16.932 1.00 0.00 C ATOM 1280 O GLN A 81 12.292 1.367 16.847 1.00 0.00 O ATOM 1281 CB GLN A 81 14.627 -0.790 15.956 1.00 0.00 C ATOM 1282 CG GLN A 81 15.313 0.555 16.208 1.00 0.00 C ATOM 1283 CD GLN A 81 16.832 0.385 16.303 1.00 0.00 C ATOM 1284 OE1 GLN A 81 17.472 -0.189 15.439 1.00 0.00 O ATOM 1285 NE2 GLN A 81 17.367 0.916 17.398 1.00 0.00 N ATOM 0 H GLN A 81 13.620 0.110 13.854 1.00 0.00 H new ATOM 0 HA GLN A 81 12.669 -1.598 15.720 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.809 -1.459 16.797 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.058 -1.263 15.074 1.00 0.00 H new ATOM 0 HG2 GLN A 81 15.070 1.248 15.402 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.934 0.994 17.131 1.00 0.00 H new ATOM 0 HE21 GLN A 81 16.771 1.383 18.082 1.00 0.00 H new ATOM 0 HE22 GLN A 81 18.373 0.856 17.555 1.00 0.00 H new TER 1294 GLN A 81