USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 585 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 55 SER OG : rot -49:sc= 1.21 USER MOD Set 1.2: A 56 THR OG1 : rot 79:sc= 1.29 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 4:sc= 0.972 USER MOD Single : A 7 SER OG : rot -160:sc= 0.0124 USER MOD Single : A 10 SER OG : rot 180:sc= -0.25 USER MOD Single : A 12 MET CE :methyl 136:sc= -0.188 (180deg=-1.31!) USER MOD Single : A 13 GLN : amide:sc= -2.78! K(o=-2.8!,f=-0.35) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 177:sc= 0 (180deg=-0.00842) USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= -0.025 (180deg=-0.415) USER MOD Single : A 18 HIS : no HD1:sc= -0.0609 X(o=-0.061,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0883) USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.16 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -21:sc= 0.825 USER MOD Single : A 29 SER OG : rot -40:sc= 0.471 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 37 GLN : amide:sc=-0.00866 K(o=-0.0087,f=-1.6!) USER MOD Single : A 38 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 44 THR OG1 : rot -55:sc= 1.23 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.962 (180deg=-0.821) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.145 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.702 -24.739 14.273 1.00 1.00 N ATOM 2 CA SER A 1 5.350 -24.384 14.789 1.00 1.00 C ATOM 3 C SER A 1 5.123 -22.884 14.624 1.00 1.00 C ATOM 4 O SER A 1 5.826 -22.070 15.225 1.00 1.00 O ATOM 5 CB SER A 1 5.254 -24.770 16.266 1.00 1.00 C ATOM 6 OG SER A 1 6.083 -23.903 17.032 1.00 1.00 O ATOM 0 H1 SER A 1 6.859 -25.761 14.385 1.00 1.00 H new ATOM 0 H2 SER A 1 6.767 -24.487 13.266 1.00 1.00 H new ATOM 0 H3 SER A 1 7.426 -24.217 14.808 1.00 1.00 H new ATOM 0 HA SER A 1 4.587 -24.924 14.228 1.00 1.00 H new ATOM 0 HB2 SER A 1 4.221 -24.699 16.606 1.00 1.00 H new ATOM 0 HB3 SER A 1 5.565 -25.806 16.404 1.00 1.00 H new ATOM 0 HG SER A 1 6.470 -23.219 16.447 1.00 1.00 H new ATOM 14 N GLU A 2 4.137 -22.527 13.808 1.00 1.00 N ATOM 15 CA GLU A 2 3.823 -21.123 13.570 1.00 1.00 C ATOM 16 C GLU A 2 2.436 -20.984 12.950 1.00 1.00 C ATOM 17 O GLU A 2 1.980 -21.862 12.217 1.00 1.00 O ATOM 18 CB GLU A 2 4.869 -20.506 12.635 1.00 1.00 C ATOM 19 CG GLU A 2 4.594 -19.008 12.467 1.00 1.00 C ATOM 20 CD GLU A 2 5.658 -18.379 11.575 1.00 1.00 C ATOM 21 OE1 GLU A 2 6.410 -19.123 10.967 1.00 1.00 O ATOM 22 OE2 GLU A 2 5.705 -17.161 11.511 1.00 1.00 O ATOM 0 H GLU A 2 3.545 -23.186 13.303 1.00 1.00 H new ATOM 0 HA GLU A 2 3.836 -20.598 14.525 1.00 1.00 H new ATOM 0 HB2 GLU A 2 5.869 -20.658 13.042 1.00 1.00 H new ATOM 0 HB3 GLU A 2 4.841 -21.002 11.665 1.00 1.00 H new ATOM 0 HG2 GLU A 2 3.607 -18.858 12.030 1.00 1.00 H new ATOM 0 HG3 GLU A 2 4.589 -18.519 13.441 1.00 1.00 H new ATOM 29 N ALA A 3 1.764 -19.880 13.261 1.00 1.00 N ATOM 30 CA ALA A 3 0.428 -19.637 12.745 1.00 1.00 C ATOM 31 C ALA A 3 0.441 -19.624 11.226 1.00 1.00 C ATOM 32 O ALA A 3 0.935 -18.688 10.600 1.00 1.00 O ATOM 33 CB ALA A 3 -0.090 -18.290 13.267 1.00 1.00 C ATOM 0 H ALA A 3 2.125 -19.143 13.867 1.00 1.00 H new ATOM 0 HA ALA A 3 -0.230 -20.437 13.084 1.00 1.00 H new ATOM 0 HB1 ALA A 3 -1.092 -18.110 12.878 1.00 1.00 H new ATOM 0 HB2 ALA A 3 -0.121 -18.310 14.356 1.00 1.00 H new ATOM 0 HB3 ALA A 3 0.575 -17.492 12.938 1.00 1.00 H new ATOM 39 N GLU A 4 -0.109 -20.677 10.649 1.00 1.00 N ATOM 40 CA GLU A 4 -0.171 -20.803 9.197 1.00 1.00 C ATOM 41 C GLU A 4 -1.130 -19.770 8.611 1.00 1.00 C ATOM 42 O GLU A 4 -1.070 -19.460 7.422 1.00 1.00 O ATOM 43 CB GLU A 4 -0.639 -22.211 8.810 1.00 1.00 C ATOM 44 CG GLU A 4 0.399 -23.245 9.256 1.00 1.00 C ATOM 45 CD GLU A 4 1.699 -23.059 8.480 1.00 1.00 C ATOM 46 OE1 GLU A 4 1.650 -22.455 7.421 1.00 1.00 O ATOM 47 OE2 GLU A 4 2.721 -23.524 8.954 1.00 1.00 O ATOM 0 H GLU A 4 -0.520 -21.459 11.160 1.00 1.00 H new ATOM 0 HA GLU A 4 0.827 -20.629 8.795 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -1.601 -22.425 9.275 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -0.786 -22.272 7.732 1.00 1.00 H new ATOM 0 HG2 GLU A 4 0.588 -23.143 10.325 1.00 1.00 H new ATOM 0 HG3 GLU A 4 0.012 -24.251 9.095 1.00 1.00 H new ATOM 54 N ASP A 5 -2.015 -19.246 9.454 1.00 1.00 N ATOM 55 CA ASP A 5 -2.989 -18.254 9.008 1.00 1.00 C ATOM 56 C ASP A 5 -2.288 -16.978 8.550 1.00 1.00 C ATOM 57 O ASP A 5 -2.858 -16.181 7.807 1.00 1.00 O ATOM 58 CB ASP A 5 -3.963 -17.929 10.140 1.00 1.00 C ATOM 59 CG ASP A 5 -3.206 -17.325 11.317 1.00 1.00 C ATOM 60 OD1 ASP A 5 -1.990 -17.268 11.246 1.00 1.00 O ATOM 61 OD2 ASP A 5 -3.853 -16.932 12.273 1.00 1.00 O ATOM 0 H ASP A 5 -2.078 -19.489 10.443 1.00 1.00 H new ATOM 0 HA ASP A 5 -3.541 -18.671 8.166 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -4.723 -17.231 9.789 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -4.482 -18.834 10.456 1.00 1.00 H new ATOM 66 N ALA A 6 -1.057 -16.783 9.010 1.00 1.00 N ATOM 67 CA ALA A 6 -0.302 -15.602 8.657 1.00 1.00 C ATOM 68 C ALA A 6 -0.189 -15.498 7.151 1.00 1.00 C ATOM 69 O ALA A 6 -0.192 -16.501 6.438 1.00 1.00 O ATOM 70 CB ALA A 6 1.100 -15.686 9.264 1.00 1.00 C ATOM 0 H ALA A 6 -0.567 -17.431 9.627 1.00 1.00 H new ATOM 0 HA ALA A 6 -0.815 -14.722 9.045 1.00 1.00 H new ATOM 0 HB1 ALA A 6 1.667 -14.794 8.996 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.023 -15.755 10.349 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.610 -16.569 8.880 1.00 1.00 H new ATOM 76 N SER A 7 -0.109 -14.271 6.681 1.00 1.00 N ATOM 77 CA SER A 7 -0.015 -14.006 5.256 1.00 1.00 C ATOM 78 C SER A 7 1.366 -14.376 4.738 1.00 1.00 C ATOM 79 O SER A 7 2.246 -14.766 5.503 1.00 1.00 O ATOM 80 CB SER A 7 -0.282 -12.526 4.973 1.00 1.00 C ATOM 81 OG SER A 7 0.498 -11.729 5.857 1.00 1.00 O ATOM 0 H SER A 7 -0.107 -13.436 7.266 1.00 1.00 H new ATOM 0 HA SER A 7 -0.764 -14.612 4.746 1.00 1.00 H new ATOM 0 HB2 SER A 7 -0.033 -12.291 3.938 1.00 1.00 H new ATOM 0 HB3 SER A 7 -1.341 -12.304 5.104 1.00 1.00 H new ATOM 0 HG SER A 7 0.115 -10.829 5.910 1.00 1.00 H new ATOM 87 N LEU A 8 1.536 -14.249 3.434 1.00 1.00 N ATOM 88 CA LEU A 8 2.807 -14.566 2.793 1.00 1.00 C ATOM 89 C LEU A 8 3.949 -13.757 3.413 1.00 1.00 C ATOM 90 O LEU A 8 5.104 -13.903 3.020 1.00 1.00 O ATOM 91 CB LEU A 8 2.735 -14.271 1.281 1.00 1.00 C ATOM 92 CG LEU A 8 3.782 -15.123 0.524 1.00 1.00 C ATOM 93 CD1 LEU A 8 3.187 -16.493 0.167 1.00 1.00 C ATOM 94 CD2 LEU A 8 4.214 -14.409 -0.766 1.00 1.00 C ATOM 0 H LEU A 8 0.810 -13.928 2.794 1.00 1.00 H new ATOM 0 HA LEU A 8 3.002 -15.627 2.947 1.00 1.00 H new ATOM 0 HB2 LEU A 8 1.735 -14.492 0.906 1.00 1.00 H new ATOM 0 HB3 LEU A 8 2.917 -13.212 1.100 1.00 1.00 H new ATOM 0 HG LEU A 8 4.649 -15.259 1.170 1.00 1.00 H new ATOM 0 HD11 LEU A 8 3.931 -17.085 -0.365 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.896 -17.012 1.080 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.311 -16.355 -0.467 1.00 1.00 H new ATOM 0 HD21 LEU A 8 4.951 -15.018 -1.290 1.00 1.00 H new ATOM 0 HD22 LEU A 8 3.345 -14.259 -1.407 1.00 1.00 H new ATOM 0 HD23 LEU A 8 4.653 -13.443 -0.518 1.00 1.00 H new ATOM 106 N LEU A 9 3.626 -12.914 4.389 1.00 1.00 N ATOM 107 CA LEU A 9 4.631 -12.101 5.062 1.00 1.00 C ATOM 108 C LEU A 9 5.341 -12.915 6.144 1.00 1.00 C ATOM 109 O LEU A 9 6.312 -12.459 6.747 1.00 1.00 O ATOM 110 CB LEU A 9 3.942 -10.886 5.690 1.00 1.00 C ATOM 111 CG LEU A 9 3.159 -10.124 4.610 1.00 1.00 C ATOM 112 CD1 LEU A 9 2.412 -8.956 5.257 1.00 1.00 C ATOM 113 CD2 LEU A 9 4.118 -9.587 3.532 1.00 1.00 C ATOM 0 H LEU A 9 2.675 -12.777 4.731 1.00 1.00 H new ATOM 0 HA LEU A 9 5.377 -11.773 4.338 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.268 -11.207 6.484 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.683 -10.230 6.147 1.00 1.00 H new ATOM 0 HG LEU A 9 2.448 -10.804 4.140 1.00 1.00 H new ATOM 0 HD11 LEU A 9 1.855 -8.413 4.494 1.00 1.00 H new ATOM 0 HD12 LEU A 9 1.720 -9.338 6.008 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.128 -8.284 5.731 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.549 -9.049 2.774 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.840 -8.911 3.991 1.00 1.00 H new ATOM 0 HD23 LEU A 9 4.646 -10.420 3.067 1.00 1.00 H new ATOM 125 N SER A 10 4.836 -14.117 6.391 1.00 1.00 N ATOM 126 CA SER A 10 5.416 -14.977 7.414 1.00 1.00 C ATOM 127 C SER A 10 6.836 -15.386 7.072 1.00 1.00 C ATOM 128 O SER A 10 7.782 -15.017 7.767 1.00 1.00 O ATOM 129 CB SER A 10 4.561 -16.225 7.625 1.00 1.00 C ATOM 130 OG SER A 10 4.612 -17.033 6.457 1.00 1.00 O ATOM 0 H SER A 10 4.034 -14.515 5.902 1.00 1.00 H new ATOM 0 HA SER A 10 5.441 -14.397 8.337 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.924 -16.787 8.486 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.531 -15.942 7.840 1.00 1.00 H new ATOM 0 HG SER A 10 4.066 -17.836 6.590 1.00 1.00 H new ATOM 136 N PHE A 11 6.982 -16.169 6.018 1.00 1.00 N ATOM 137 CA PHE A 11 8.300 -16.638 5.628 1.00 1.00 C ATOM 138 C PHE A 11 9.299 -15.488 5.666 1.00 1.00 C ATOM 139 O PHE A 11 10.392 -15.619 6.222 1.00 1.00 O ATOM 140 CB PHE A 11 8.234 -17.209 4.215 1.00 1.00 C ATOM 141 CG PHE A 11 9.601 -17.689 3.792 1.00 1.00 C ATOM 142 CD1 PHE A 11 10.118 -18.876 4.321 1.00 1.00 C ATOM 143 CD2 PHE A 11 10.352 -16.950 2.868 1.00 1.00 C ATOM 144 CE1 PHE A 11 11.383 -19.325 3.927 1.00 1.00 C ATOM 145 CE2 PHE A 11 11.617 -17.399 2.473 1.00 1.00 C ATOM 146 CZ PHE A 11 12.133 -18.587 3.003 1.00 1.00 C ATOM 0 H PHE A 11 6.217 -16.490 5.424 1.00 1.00 H new ATOM 0 HA PHE A 11 8.625 -17.412 6.324 1.00 1.00 H new ATOM 0 HB2 PHE A 11 7.522 -18.034 4.179 1.00 1.00 H new ATOM 0 HB3 PHE A 11 7.875 -16.448 3.522 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.541 -19.446 5.034 1.00 1.00 H new ATOM 0 HD2 PHE A 11 9.954 -16.033 2.460 1.00 1.00 H new ATOM 0 HE1 PHE A 11 11.782 -20.242 4.336 1.00 1.00 H new ATOM 0 HE2 PHE A 11 12.195 -16.829 1.760 1.00 1.00 H new ATOM 0 HZ PHE A 11 13.109 -18.935 2.699 1.00 1.00 H new ATOM 156 N MET A 12 8.934 -14.372 5.053 1.00 1.00 N ATOM 157 CA MET A 12 9.832 -13.222 5.005 1.00 1.00 C ATOM 158 C MET A 12 10.110 -12.692 6.406 1.00 1.00 C ATOM 159 O MET A 12 11.228 -12.804 6.905 1.00 1.00 O ATOM 160 CB MET A 12 9.216 -12.112 4.150 1.00 1.00 C ATOM 161 CG MET A 12 10.214 -10.957 4.017 1.00 1.00 C ATOM 162 SD MET A 12 9.514 -9.676 2.947 1.00 1.00 S ATOM 163 CE MET A 12 8.150 -9.184 4.030 1.00 1.00 C ATOM 0 H MET A 12 8.037 -14.236 4.588 1.00 1.00 H new ATOM 0 HA MET A 12 10.774 -13.544 4.561 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.957 -12.499 3.164 1.00 1.00 H new ATOM 0 HB3 MET A 12 8.292 -11.757 4.606 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.440 -10.542 4.999 1.00 1.00 H new ATOM 0 HG3 MET A 12 11.154 -11.320 3.601 1.00 1.00 H new ATOM 0 HE1 MET A 12 8.081 -8.097 4.057 1.00 1.00 H new ATOM 0 HE2 MET A 12 7.216 -9.597 3.649 1.00 1.00 H new ATOM 0 HE3 MET A 12 8.330 -9.561 5.037 1.00 1.00 H new ATOM 173 N GLN A 13 9.087 -12.105 7.026 1.00 1.00 N ATOM 174 CA GLN A 13 9.220 -11.546 8.375 1.00 1.00 C ATOM 175 C GLN A 13 10.231 -12.348 9.199 1.00 1.00 C ATOM 176 O GLN A 13 11.176 -11.788 9.755 1.00 1.00 O ATOM 177 CB GLN A 13 7.857 -11.555 9.078 1.00 1.00 C ATOM 178 CG GLN A 13 6.998 -10.401 8.555 1.00 1.00 C ATOM 179 CD GLN A 13 7.491 -9.084 9.146 1.00 1.00 C ATOM 180 OE1 GLN A 13 6.910 -8.030 8.888 1.00 1.00 O ATOM 181 NE2 GLN A 13 8.535 -9.084 9.930 1.00 1.00 N ATOM 0 H GLN A 13 8.158 -12.003 6.618 1.00 1.00 H new ATOM 0 HA GLN A 13 9.579 -10.521 8.289 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.353 -12.505 8.902 1.00 1.00 H new ATOM 0 HB3 GLN A 13 7.992 -11.461 10.155 1.00 1.00 H new ATOM 0 HG2 GLN A 13 7.046 -10.363 7.467 1.00 1.00 H new ATOM 0 HG3 GLN A 13 5.954 -10.562 8.822 1.00 1.00 H new ATOM 0 HE21 GLN A 13 9.014 -9.959 10.142 1.00 1.00 H new ATOM 0 HE22 GLN A 13 8.872 -8.209 10.331 1.00 1.00 H new ATOM 190 N GLY A 14 10.030 -13.660 9.265 1.00 1.00 N ATOM 191 CA GLY A 14 10.936 -14.520 10.012 1.00 1.00 C ATOM 192 C GLY A 14 12.306 -14.601 9.336 1.00 1.00 C ATOM 193 O GLY A 14 13.337 -14.610 10.001 1.00 1.00 O ATOM 0 H GLY A 14 9.255 -14.146 8.814 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.050 -14.138 11.027 1.00 1.00 H new ATOM 0 HA3 GLY A 14 10.508 -15.519 10.094 1.00 1.00 H new ATOM 197 N TYR A 15 12.312 -14.677 8.013 1.00 1.00 N ATOM 198 CA TYR A 15 13.573 -14.773 7.281 1.00 1.00 C ATOM 199 C TYR A 15 14.573 -13.757 7.786 1.00 1.00 C ATOM 200 O TYR A 15 15.630 -14.117 8.308 1.00 1.00 O ATOM 201 CB TYR A 15 13.323 -14.579 5.781 1.00 1.00 C ATOM 202 CG TYR A 15 14.606 -14.769 5.015 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.098 -16.057 4.793 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.300 -13.656 4.518 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.285 -16.237 4.077 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.486 -13.837 3.802 1.00 1.00 C ATOM 207 CZ TYR A 15 16.979 -15.128 3.581 1.00 1.00 C ATOM 208 OH TYR A 15 18.151 -15.304 2.876 1.00 1.00 O ATOM 0 H TYR A 15 11.475 -14.674 7.430 1.00 1.00 H new ATOM 0 HA TYR A 15 13.992 -15.766 7.446 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.574 -15.291 5.434 1.00 1.00 H new ATOM 0 HB3 TYR A 15 12.924 -13.581 5.597 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.562 -16.913 5.174 1.00 1.00 H new ATOM 0 HD2 TYR A 15 14.918 -12.660 4.689 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.667 -17.233 3.907 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.022 -12.981 3.419 1.00 1.00 H new ATOM 0 HH TYR A 15 18.503 -14.431 2.603 1.00 1.00 H new ATOM 218 N MET A 16 14.255 -12.498 7.625 1.00 1.00 N ATOM 219 CA MET A 16 15.158 -11.462 8.071 1.00 1.00 C ATOM 220 C MET A 16 15.422 -11.634 9.551 1.00 1.00 C ATOM 221 O MET A 16 16.494 -11.286 10.040 1.00 1.00 O ATOM 222 CB MET A 16 14.527 -10.092 7.812 1.00 1.00 C ATOM 223 CG MET A 16 15.494 -8.975 8.213 1.00 1.00 C ATOM 224 SD MET A 16 14.731 -7.369 7.864 1.00 1.00 S ATOM 225 CE MET A 16 13.798 -7.208 9.408 1.00 1.00 C ATOM 0 H MET A 16 13.392 -12.166 7.195 1.00 1.00 H new ATOM 0 HA MET A 16 16.099 -11.532 7.525 1.00 1.00 H new ATOM 0 HB2 MET A 16 14.269 -9.997 6.757 1.00 1.00 H new ATOM 0 HB3 MET A 16 13.599 -9.999 8.377 1.00 1.00 H new ATOM 0 HG2 MET A 16 15.738 -9.052 9.273 1.00 1.00 H new ATOM 0 HG3 MET A 16 16.430 -9.073 7.663 1.00 1.00 H new ATOM 0 HE1 MET A 16 13.287 -6.245 9.426 1.00 1.00 H new ATOM 0 HE2 MET A 16 13.063 -8.010 9.475 1.00 1.00 H new ATOM 0 HE3 MET A 16 14.482 -7.271 10.255 1.00 1.00 H new ATOM 235 N LYS A 17 14.447 -12.182 10.264 1.00 1.00 N ATOM 236 CA LYS A 17 14.616 -12.397 11.695 1.00 1.00 C ATOM 237 C LYS A 17 15.741 -13.391 11.957 1.00 1.00 C ATOM 238 O LYS A 17 16.577 -13.183 12.834 1.00 1.00 O ATOM 239 CB LYS A 17 13.309 -12.889 12.334 1.00 1.00 C ATOM 240 CG LYS A 17 13.314 -12.595 13.850 1.00 1.00 C ATOM 241 CD LYS A 17 12.774 -11.184 14.117 1.00 1.00 C ATOM 242 CE LYS A 17 12.858 -10.883 15.613 1.00 1.00 C ATOM 243 NZ LYS A 17 11.942 -11.798 16.350 1.00 1.00 N ATOM 0 H LYS A 17 13.548 -12.481 9.885 1.00 1.00 H new ATOM 0 HA LYS A 17 14.881 -11.443 12.151 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.458 -12.397 11.863 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.193 -13.959 12.164 1.00 1.00 H new ATOM 0 HG2 LYS A 17 12.703 -13.331 14.373 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.327 -12.685 14.242 1.00 1.00 H new ATOM 0 HD2 LYS A 17 13.350 -10.450 13.554 1.00 1.00 H new ATOM 0 HD3 LYS A 17 11.741 -11.107 13.777 1.00 1.00 H new ATOM 0 HE2 LYS A 17 13.881 -11.013 15.965 1.00 1.00 H new ATOM 0 HE3 LYS A 17 12.585 -9.845 15.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 11.772 -11.424 17.305 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 11.038 -11.869 15.840 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.375 -12.741 16.420 1.00 1.00 H new ATOM 257 N HIS A 18 15.731 -14.488 11.200 1.00 1.00 N ATOM 258 CA HIS A 18 16.735 -15.535 11.352 1.00 1.00 C ATOM 259 C HIS A 18 18.030 -15.167 10.635 1.00 1.00 C ATOM 260 O HIS A 18 19.118 -15.323 11.191 1.00 1.00 O ATOM 261 CB HIS A 18 16.201 -16.853 10.793 1.00 1.00 C ATOM 262 CG HIS A 18 17.253 -17.921 10.930 1.00 1.00 C ATOM 263 ND1 HIS A 18 17.428 -18.642 12.102 1.00 1.00 N ATOM 264 CD2 HIS A 18 18.195 -18.397 10.053 1.00 1.00 C ATOM 265 CE1 HIS A 18 18.440 -19.507 11.899 1.00 1.00 C ATOM 266 NE2 HIS A 18 18.944 -19.399 10.666 1.00 1.00 N ATOM 0 H HIS A 18 15.037 -14.673 10.475 1.00 1.00 H new ATOM 0 HA HIS A 18 16.949 -15.644 12.415 1.00 1.00 H new ATOM 0 HB2 HIS A 18 15.298 -17.147 11.327 1.00 1.00 H new ATOM 0 HB3 HIS A 18 15.926 -16.731 9.745 1.00 1.00 H new ATOM 0 HD2 HIS A 18 18.335 -18.048 9.041 1.00 1.00 H new ATOM 0 HE1 HIS A 18 18.800 -20.203 12.642 1.00 1.00 H new ATOM 0 HE2 HIS A 18 19.712 -19.935 10.261 1.00 1.00 H new ATOM 274 N ALA A 19 17.917 -14.708 9.389 1.00 1.00 N ATOM 275 CA ALA A 19 19.106 -14.363 8.609 1.00 1.00 C ATOM 276 C ALA A 19 19.982 -13.378 9.355 1.00 1.00 C ATOM 277 O ALA A 19 21.188 -13.294 9.114 1.00 1.00 O ATOM 278 CB ALA A 19 18.676 -13.759 7.274 1.00 1.00 C ATOM 0 H ALA A 19 17.031 -14.568 8.904 1.00 1.00 H new ATOM 0 HA ALA A 19 19.684 -15.271 8.439 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.559 -13.501 6.690 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.076 -14.484 6.723 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.085 -12.861 7.454 1.00 1.00 H new ATOM 284 N THR A 20 19.382 -12.661 10.273 1.00 1.00 N ATOM 285 CA THR A 20 20.133 -11.700 11.067 1.00 1.00 C ATOM 286 C THR A 20 21.166 -12.435 11.920 1.00 1.00 C ATOM 287 O THR A 20 22.116 -11.834 12.423 1.00 1.00 O ATOM 288 CB THR A 20 19.176 -10.904 11.976 1.00 1.00 C ATOM 289 OG1 THR A 20 19.774 -9.665 12.321 1.00 1.00 O ATOM 290 CG2 THR A 20 18.852 -11.691 13.261 1.00 1.00 C ATOM 0 H THR A 20 18.388 -12.718 10.493 1.00 1.00 H new ATOM 0 HA THR A 20 20.644 -11.007 10.399 1.00 1.00 H new ATOM 0 HB THR A 20 18.247 -10.733 11.432 1.00 1.00 H new ATOM 0 HG1 THR A 20 19.166 -9.157 12.898 1.00 1.00 H new ATOM 0 HG21 THR A 20 18.175 -11.107 13.884 1.00 1.00 H new ATOM 0 HG22 THR A 20 18.378 -12.637 12.999 1.00 1.00 H new ATOM 0 HG23 THR A 20 19.773 -11.886 13.810 1.00 1.00 H new ATOM 298 N LYS A 21 20.973 -13.740 12.062 1.00 1.00 N ATOM 299 CA LYS A 21 21.896 -14.555 12.839 1.00 1.00 C ATOM 300 C LYS A 21 23.244 -14.669 12.138 1.00 1.00 C ATOM 301 O LYS A 21 24.291 -14.688 12.785 1.00 1.00 O ATOM 302 CB LYS A 21 21.316 -15.952 13.085 1.00 1.00 C ATOM 303 CG LYS A 21 22.147 -16.692 14.152 1.00 1.00 C ATOM 304 CD LYS A 21 21.766 -16.211 15.566 1.00 1.00 C ATOM 305 CE LYS A 21 22.356 -17.170 16.606 1.00 1.00 C ATOM 306 NZ LYS A 21 23.843 -17.091 16.567 1.00 1.00 N ATOM 0 H LYS A 21 20.192 -14.253 11.653 1.00 1.00 H new ATOM 0 HA LYS A 21 22.043 -14.063 13.800 1.00 1.00 H new ATOM 0 HB2 LYS A 21 20.279 -15.871 13.412 1.00 1.00 H new ATOM 0 HB3 LYS A 21 21.313 -16.522 12.156 1.00 1.00 H new ATOM 0 HG2 LYS A 21 21.980 -17.766 14.070 1.00 1.00 H new ATOM 0 HG3 LYS A 21 23.209 -16.520 13.977 1.00 1.00 H new ATOM 0 HD2 LYS A 21 22.141 -15.201 15.732 1.00 1.00 H new ATOM 0 HD3 LYS A 21 20.682 -16.169 15.668 1.00 1.00 H new ATOM 0 HE2 LYS A 21 21.993 -16.912 17.601 1.00 1.00 H new ATOM 0 HE3 LYS A 21 22.030 -18.190 16.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 24.240 -17.621 17.369 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 24.189 -17.500 15.676 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 24.140 -16.096 16.629 1.00 1.00 H new ATOM 320 N THR A 22 23.209 -14.769 10.813 1.00 1.00 N ATOM 321 CA THR A 22 24.440 -14.914 10.037 1.00 1.00 C ATOM 322 C THR A 22 25.368 -13.719 10.242 1.00 1.00 C ATOM 323 O THR A 22 26.545 -13.770 9.886 1.00 1.00 O ATOM 324 CB THR A 22 24.104 -15.051 8.553 1.00 1.00 C ATOM 325 OG1 THR A 22 23.427 -13.881 8.114 1.00 1.00 O ATOM 326 CG2 THR A 22 23.204 -16.270 8.339 1.00 1.00 C ATOM 0 H THR A 22 22.354 -14.753 10.258 1.00 1.00 H new ATOM 0 HA THR A 22 24.954 -15.811 10.384 1.00 1.00 H new ATOM 0 HB THR A 22 25.025 -15.178 7.983 1.00 1.00 H new ATOM 0 HG1 THR A 22 22.496 -13.909 8.418 1.00 1.00 H new ATOM 0 HG21 THR A 22 22.966 -16.365 7.280 1.00 1.00 H new ATOM 0 HG22 THR A 22 23.721 -17.168 8.677 1.00 1.00 H new ATOM 0 HG23 THR A 22 22.283 -16.146 8.908 1.00 1.00 H new ATOM 334 N ALA A 23 24.834 -12.651 10.813 1.00 1.00 N ATOM 335 CA ALA A 23 25.615 -11.451 11.061 1.00 1.00 C ATOM 336 C ALA A 23 26.929 -11.814 11.734 1.00 1.00 C ATOM 337 O ALA A 23 27.990 -11.412 11.280 1.00 1.00 O ATOM 338 CB ALA A 23 24.823 -10.496 11.957 1.00 1.00 C ATOM 0 H ALA A 23 23.861 -12.591 11.114 1.00 1.00 H new ATOM 0 HA ALA A 23 25.827 -10.962 10.110 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.412 -9.597 12.141 1.00 1.00 H new ATOM 0 HB2 ALA A 23 23.890 -10.224 11.464 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.603 -10.986 12.906 1.00 1.00 H new ATOM 344 N LYS A 24 26.853 -12.573 12.814 1.00 1.00 N ATOM 345 CA LYS A 24 28.057 -12.984 13.531 1.00 1.00 C ATOM 346 C LYS A 24 29.079 -13.603 12.569 1.00 1.00 C ATOM 347 O LYS A 24 30.088 -12.993 12.227 1.00 1.00 O ATOM 348 CB LYS A 24 27.658 -14.003 14.603 1.00 1.00 C ATOM 349 CG LYS A 24 28.880 -14.414 15.428 1.00 1.00 C ATOM 350 CD LYS A 24 28.466 -15.432 16.502 1.00 1.00 C ATOM 351 CE LYS A 24 27.769 -14.728 17.677 1.00 1.00 C ATOM 352 NZ LYS A 24 27.638 -15.687 18.812 1.00 1.00 N ATOM 0 H LYS A 24 25.980 -12.917 13.214 1.00 1.00 H new ATOM 0 HA LYS A 24 28.520 -12.113 13.994 1.00 1.00 H new ATOM 0 HB2 LYS A 24 26.897 -13.575 15.256 1.00 1.00 H new ATOM 0 HB3 LYS A 24 27.216 -14.882 14.133 1.00 1.00 H new ATOM 0 HG2 LYS A 24 29.640 -14.847 14.778 1.00 1.00 H new ATOM 0 HG3 LYS A 24 29.325 -13.537 15.898 1.00 1.00 H new ATOM 0 HD2 LYS A 24 27.797 -16.175 16.068 1.00 1.00 H new ATOM 0 HD3 LYS A 24 29.345 -15.967 16.862 1.00 1.00 H new ATOM 0 HE2 LYS A 24 28.344 -13.855 17.987 1.00 1.00 H new ATOM 0 HE3 LYS A 24 26.786 -14.370 17.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 27.167 -15.217 19.611 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 27.073 -16.507 18.511 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 28.583 -16.007 19.107 1.00 1.00 H new ATOM 366 N ASP A 25 28.805 -14.837 12.171 1.00 1.00 N ATOM 367 CA ASP A 25 29.694 -15.580 11.288 1.00 1.00 C ATOM 368 C ASP A 25 30.138 -14.672 10.154 1.00 1.00 C ATOM 369 O ASP A 25 31.312 -14.657 9.780 1.00 1.00 O ATOM 370 CB ASP A 25 28.964 -16.799 10.711 1.00 1.00 C ATOM 371 CG ASP A 25 28.767 -17.867 11.786 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.439 -17.794 12.802 1.00 1.00 O ATOM 373 OD2 ASP A 25 27.948 -18.746 11.573 1.00 1.00 O ATOM 0 H ASP A 25 27.967 -15.349 12.448 1.00 1.00 H new ATOM 0 HA ASP A 25 30.562 -15.922 11.852 1.00 1.00 H new ATOM 0 HB2 ASP A 25 27.997 -16.495 10.312 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.536 -17.213 9.880 1.00 1.00 H new ATOM 378 N ALA A 26 29.202 -13.893 9.637 1.00 1.00 N ATOM 379 CA ALA A 26 29.519 -12.954 8.579 1.00 1.00 C ATOM 380 C ALA A 26 30.415 -11.843 9.123 1.00 1.00 C ATOM 381 O ALA A 26 31.338 -11.393 8.451 1.00 1.00 O ATOM 382 CB ALA A 26 28.233 -12.351 8.011 1.00 1.00 C ATOM 0 H ALA A 26 28.225 -13.893 9.931 1.00 1.00 H new ATOM 0 HA ALA A 26 30.045 -13.481 7.783 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.481 -11.647 7.217 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.605 -13.146 7.608 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.695 -11.830 8.803 1.00 1.00 H new ATOM 388 N LEU A 27 30.124 -11.393 10.343 1.00 1.00 N ATOM 389 CA LEU A 27 30.918 -10.316 10.949 1.00 1.00 C ATOM 390 C LEU A 27 32.378 -10.717 11.072 1.00 1.00 C ATOM 391 O LEU A 27 33.277 -9.939 10.746 1.00 1.00 O ATOM 392 CB LEU A 27 30.359 -9.953 12.334 1.00 1.00 C ATOM 393 CG LEU A 27 31.168 -8.804 12.967 1.00 1.00 C ATOM 394 CD1 LEU A 27 31.034 -7.528 12.118 1.00 1.00 C ATOM 395 CD2 LEU A 27 30.639 -8.548 14.386 1.00 1.00 C ATOM 0 H LEU A 27 29.363 -11.745 10.923 1.00 1.00 H new ATOM 0 HA LEU A 27 30.853 -9.445 10.297 1.00 1.00 H new ATOM 0 HB2 LEU A 27 29.313 -9.660 12.244 1.00 1.00 H new ATOM 0 HB3 LEU A 27 30.390 -10.827 12.984 1.00 1.00 H new ATOM 0 HG LEU A 27 32.222 -9.080 13.010 1.00 1.00 H new ATOM 0 HD11 LEU A 27 31.610 -6.724 12.576 1.00 1.00 H new ATOM 0 HD12 LEU A 27 31.412 -7.718 11.113 1.00 1.00 H new ATOM 0 HD13 LEU A 27 29.985 -7.237 12.062 1.00 1.00 H new ATOM 0 HD21 LEU A 27 31.204 -7.736 14.844 1.00 1.00 H new ATOM 0 HD22 LEU A 27 29.585 -8.274 14.337 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.752 -9.452 14.985 1.00 1.00 H new ATOM 407 N SER A 28 32.604 -11.922 11.548 1.00 1.00 N ATOM 408 CA SER A 28 33.962 -12.420 11.718 1.00 1.00 C ATOM 409 C SER A 28 34.664 -12.434 10.374 1.00 1.00 C ATOM 410 O SER A 28 35.889 -12.340 10.290 1.00 1.00 O ATOM 411 CB SER A 28 33.927 -13.831 12.302 1.00 1.00 C ATOM 412 OG SER A 28 33.187 -14.679 11.433 1.00 1.00 O ATOM 0 H SER A 28 31.872 -12.577 11.825 1.00 1.00 H new ATOM 0 HA SER A 28 34.505 -11.768 12.402 1.00 1.00 H new ATOM 0 HB2 SER A 28 34.941 -14.212 12.425 1.00 1.00 H new ATOM 0 HB3 SER A 28 33.470 -13.817 13.291 1.00 1.00 H new ATOM 0 HG SER A 28 32.606 -14.135 10.862 1.00 1.00 H new ATOM 418 N SER A 29 33.858 -12.548 9.327 1.00 1.00 N ATOM 419 CA SER A 29 34.399 -12.567 7.967 1.00 1.00 C ATOM 420 C SER A 29 34.845 -11.171 7.523 1.00 1.00 C ATOM 421 O SER A 29 35.318 -10.999 6.400 1.00 1.00 O ATOM 422 CB SER A 29 33.380 -13.117 6.968 1.00 1.00 C ATOM 423 OG SER A 29 34.051 -13.428 5.753 1.00 1.00 O ATOM 0 H SER A 29 32.843 -12.628 9.386 1.00 1.00 H new ATOM 0 HA SER A 29 35.267 -13.226 7.983 1.00 1.00 H new ATOM 0 HB2 SER A 29 32.898 -14.008 7.372 1.00 1.00 H new ATOM 0 HB3 SER A 29 32.594 -12.383 6.788 1.00 1.00 H new ATOM 0 HG SER A 29 34.714 -12.733 5.558 1.00 1.00 H new ATOM 429 N VAL A 30 34.684 -10.175 8.397 1.00 1.00 N ATOM 430 CA VAL A 30 35.064 -8.798 8.056 1.00 1.00 C ATOM 431 C VAL A 30 36.524 -8.695 7.591 1.00 1.00 C ATOM 432 O VAL A 30 37.007 -7.602 7.306 1.00 1.00 O ATOM 433 CB VAL A 30 34.842 -7.875 9.258 1.00 1.00 C ATOM 434 CG1 VAL A 30 35.723 -8.342 10.420 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.196 -6.422 8.877 1.00 1.00 C ATOM 0 H VAL A 30 34.299 -10.291 9.334 1.00 1.00 H new ATOM 0 HA VAL A 30 34.429 -8.487 7.227 1.00 1.00 H new ATOM 0 HB VAL A 30 33.795 -7.912 9.559 1.00 1.00 H new ATOM 0 HG11 VAL A 30 35.569 -7.688 11.279 1.00 1.00 H new ATOM 0 HG12 VAL A 30 35.458 -9.364 10.690 1.00 1.00 H new ATOM 0 HG13 VAL A 30 36.770 -8.306 10.120 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.036 -5.771 9.737 1.00 1.00 H new ATOM 0 HG22 VAL A 30 36.241 -6.370 8.572 1.00 1.00 H new ATOM 0 HG23 VAL A 30 34.561 -6.097 8.053 1.00 1.00 H new ATOM 445 N GLN A 31 37.220 -9.829 7.525 1.00 1.00 N ATOM 446 CA GLN A 31 38.624 -9.849 7.090 1.00 1.00 C ATOM 447 C GLN A 31 38.831 -8.938 5.881 1.00 1.00 C ATOM 448 O GLN A 31 39.961 -8.588 5.541 1.00 1.00 O ATOM 449 CB GLN A 31 39.021 -11.288 6.726 1.00 1.00 C ATOM 450 CG GLN A 31 38.982 -12.181 7.975 1.00 1.00 C ATOM 451 CD GLN A 31 39.349 -13.618 7.600 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.344 -13.846 6.912 1.00 1.00 O ATOM 453 NE2 GLN A 31 38.599 -14.608 8.010 1.00 1.00 N ATOM 0 H GLN A 31 36.840 -10.745 7.765 1.00 1.00 H new ATOM 0 HA GLN A 31 39.249 -9.485 7.906 1.00 1.00 H new ATOM 0 HB2 GLN A 31 38.342 -11.680 5.969 1.00 1.00 H new ATOM 0 HB3 GLN A 31 40.021 -11.299 6.293 1.00 1.00 H new ATOM 0 HG2 GLN A 31 39.677 -11.803 8.725 1.00 1.00 H new ATOM 0 HG3 GLN A 31 37.987 -12.155 8.420 1.00 1.00 H new ATOM 0 HE21 GLN A 31 37.774 -14.421 8.580 1.00 1.00 H new ATOM 0 HE22 GLN A 31 38.839 -15.567 7.760 1.00 1.00 H new ATOM 462 N GLU A 32 37.739 -8.523 5.263 1.00 1.00 N ATOM 463 CA GLU A 32 37.823 -7.621 4.133 1.00 1.00 C ATOM 464 C GLU A 32 38.214 -6.232 4.638 1.00 1.00 C ATOM 465 O GLU A 32 38.455 -5.315 3.855 1.00 1.00 O ATOM 466 CB GLU A 32 36.468 -7.563 3.422 1.00 1.00 C ATOM 467 CG GLU A 32 36.599 -6.782 2.114 1.00 1.00 C ATOM 468 CD GLU A 32 35.313 -6.898 1.301 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.517 -7.770 1.607 1.00 1.00 O ATOM 470 OE2 GLU A 32 35.146 -6.112 0.383 1.00 1.00 O ATOM 0 H GLU A 32 36.791 -8.795 5.524 1.00 1.00 H new ATOM 0 HA GLU A 32 38.574 -7.975 3.427 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.111 -8.573 3.219 1.00 1.00 H new ATOM 0 HB3 GLU A 32 35.729 -7.087 4.067 1.00 1.00 H new ATOM 0 HG2 GLU A 32 36.810 -5.734 2.327 1.00 1.00 H new ATOM 0 HG3 GLU A 32 37.440 -7.165 1.536 1.00 1.00 H new ATOM 477 N SER A 33 38.298 -6.088 5.965 1.00 1.00 N ATOM 478 CA SER A 33 38.676 -4.807 6.552 1.00 1.00 C ATOM 479 C SER A 33 39.983 -4.334 5.948 1.00 1.00 C ATOM 480 O SER A 33 40.334 -3.156 6.038 1.00 1.00 O ATOM 481 CB SER A 33 38.828 -4.924 8.075 1.00 1.00 C ATOM 482 OG SER A 33 39.802 -3.988 8.523 1.00 1.00 O ATOM 0 H SER A 33 38.112 -6.831 6.639 1.00 1.00 H new ATOM 0 HA SER A 33 37.887 -4.086 6.337 1.00 1.00 H new ATOM 0 HB2 SER A 33 37.872 -4.734 8.563 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.128 -5.936 8.346 1.00 1.00 H new ATOM 0 HG SER A 33 39.901 -4.059 9.495 1.00 1.00 H new ATOM 488 N GLN A 34 40.710 -5.263 5.338 1.00 1.00 N ATOM 489 CA GLN A 34 41.994 -4.911 4.731 1.00 1.00 C ATOM 490 C GLN A 34 41.853 -3.652 3.869 1.00 1.00 C ATOM 491 O GLN A 34 42.851 -3.046 3.481 1.00 1.00 O ATOM 492 CB GLN A 34 42.512 -6.069 3.871 1.00 1.00 C ATOM 493 CG GLN A 34 43.905 -5.730 3.324 1.00 1.00 C ATOM 494 CD GLN A 34 44.503 -6.954 2.645 1.00 1.00 C ATOM 495 OE1 GLN A 34 43.825 -7.629 1.871 1.00 1.00 O ATOM 496 NE2 GLN A 34 45.742 -7.283 2.886 1.00 1.00 N ATOM 0 H GLN A 34 40.444 -6.244 5.250 1.00 1.00 H new ATOM 0 HA GLN A 34 42.707 -4.714 5.531 1.00 1.00 H new ATOM 0 HB2 GLN A 34 42.557 -6.982 4.464 1.00 1.00 H new ATOM 0 HB3 GLN A 34 41.824 -6.258 3.047 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.836 -4.906 2.614 1.00 1.00 H new ATOM 0 HG3 GLN A 34 44.554 -5.399 4.135 1.00 1.00 H new ATOM 0 HE21 GLN A 34 46.303 -6.723 3.528 1.00 1.00 H new ATOM 0 HE22 GLN A 34 46.150 -8.101 2.433 1.00 1.00 H new ATOM 505 N VAL A 35 40.611 -3.266 3.567 1.00 1.00 N ATOM 506 CA VAL A 35 40.355 -2.077 2.744 1.00 1.00 C ATOM 507 C VAL A 35 41.318 -0.937 3.101 1.00 1.00 C ATOM 508 O VAL A 35 41.520 -0.014 2.317 1.00 1.00 O ATOM 509 CB VAL A 35 38.902 -1.617 2.936 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.613 -1.408 4.428 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.670 -0.305 2.179 1.00 1.00 C ATOM 0 H VAL A 35 39.771 -3.754 3.877 1.00 1.00 H new ATOM 0 HA VAL A 35 40.519 -2.342 1.699 1.00 1.00 H new ATOM 0 HB VAL A 35 38.232 -2.383 2.545 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.581 -1.082 4.556 1.00 1.00 H new ATOM 0 HG12 VAL A 35 38.767 -2.345 4.963 1.00 1.00 H new ATOM 0 HG13 VAL A 35 39.286 -0.648 4.826 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.638 0.018 2.318 1.00 1.00 H new ATOM 0 HG22 VAL A 35 39.344 0.461 2.563 1.00 1.00 H new ATOM 0 HG23 VAL A 35 38.862 -0.459 1.117 1.00 1.00 H new ATOM 521 N ALA A 36 41.940 -1.028 4.267 1.00 1.00 N ATOM 522 CA ALA A 36 42.913 -0.025 4.683 1.00 1.00 C ATOM 523 C ALA A 36 43.908 0.214 3.561 1.00 1.00 C ATOM 524 O ALA A 36 43.937 1.294 2.966 1.00 1.00 O ATOM 525 CB ALA A 36 43.641 -0.516 5.934 1.00 1.00 C ATOM 0 H ALA A 36 41.791 -1.780 4.939 1.00 1.00 H new ATOM 0 HA ALA A 36 42.403 0.911 4.909 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.369 0.232 6.248 1.00 1.00 H new ATOM 0 HB2 ALA A 36 42.919 -0.678 6.735 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.154 -1.452 5.713 1.00 1.00 H new ATOM 531 N GLN A 37 44.730 -0.799 3.275 1.00 1.00 N ATOM 532 CA GLN A 37 45.732 -0.677 2.216 1.00 1.00 C ATOM 533 C GLN A 37 45.127 0.063 1.026 1.00 1.00 C ATOM 534 O GLN A 37 45.759 0.948 0.452 1.00 1.00 O ATOM 535 CB GLN A 37 46.222 -2.062 1.776 1.00 1.00 C ATOM 536 CG GLN A 37 47.308 -1.907 0.709 1.00 1.00 C ATOM 537 CD GLN A 37 47.906 -3.270 0.379 1.00 1.00 C ATOM 538 OE1 GLN A 37 47.721 -4.227 1.130 1.00 1.00 O ATOM 539 NE2 GLN A 37 48.618 -3.417 -0.706 1.00 1.00 N ATOM 0 H GLN A 37 44.722 -1.699 3.754 1.00 1.00 H new ATOM 0 HA GLN A 37 46.584 -0.116 2.599 1.00 1.00 H new ATOM 0 HB2 GLN A 37 46.615 -2.609 2.633 1.00 1.00 H new ATOM 0 HB3 GLN A 37 45.390 -2.645 1.381 1.00 1.00 H new ATOM 0 HG2 GLN A 37 46.886 -1.458 -0.190 1.00 1.00 H new ATOM 0 HG3 GLN A 37 48.088 -1.234 1.066 1.00 1.00 H new ATOM 0 HE21 GLN A 37 48.770 -2.623 -1.328 1.00 1.00 H new ATOM 0 HE22 GLN A 37 49.022 -4.326 -0.932 1.00 1.00 H new ATOM 548 N GLN A 38 43.887 -0.289 0.681 1.00 1.00 N ATOM 549 CA GLN A 38 43.201 0.369 -0.427 1.00 1.00 C ATOM 550 C GLN A 38 43.056 1.847 -0.101 1.00 1.00 C ATOM 551 O GLN A 38 43.578 2.698 -0.809 1.00 1.00 O ATOM 552 CB GLN A 38 41.809 -0.255 -0.619 1.00 1.00 C ATOM 553 CG GLN A 38 41.313 0.000 -2.041 1.00 1.00 C ATOM 554 CD GLN A 38 42.021 -0.941 -3.007 1.00 1.00 C ATOM 555 OE1 GLN A 38 42.872 -0.509 -3.784 1.00 1.00 O ATOM 556 NE2 GLN A 38 41.719 -2.210 -2.999 1.00 1.00 N ATOM 0 H GLN A 38 43.345 -1.017 1.147 1.00 1.00 H new ATOM 0 HA GLN A 38 43.775 0.244 -1.345 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.853 -1.327 -0.427 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.109 0.169 0.101 1.00 1.00 H new ATOM 0 HG2 GLN A 38 40.235 -0.153 -2.094 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.502 1.036 -2.322 1.00 1.00 H new ATOM 0 HE21 GLN A 38 41.013 -2.562 -2.353 1.00 1.00 H new ATOM 0 HE22 GLN A 38 42.189 -2.850 -3.639 1.00 1.00 H new ATOM 565 N ALA A 39 42.338 2.131 0.981 1.00 1.00 N ATOM 566 CA ALA A 39 42.139 3.516 1.405 1.00 1.00 C ATOM 567 C ALA A 39 43.462 4.270 1.272 1.00 1.00 C ATOM 568 O ALA A 39 43.538 5.302 0.602 1.00 1.00 O ATOM 569 CB ALA A 39 41.655 3.568 2.859 1.00 1.00 C ATOM 0 H ALA A 39 41.889 1.433 1.574 1.00 1.00 H new ATOM 0 HA ALA A 39 41.381 3.980 0.774 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.512 4.606 3.158 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.710 3.032 2.947 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.398 3.103 3.507 1.00 1.00 H new ATOM 575 N ARG A 40 44.501 3.731 1.906 1.00 1.00 N ATOM 576 CA ARG A 40 45.831 4.348 1.845 1.00 1.00 C ATOM 577 C ARG A 40 46.315 4.446 0.403 1.00 1.00 C ATOM 578 O ARG A 40 47.318 5.087 0.094 1.00 1.00 O ATOM 579 CB ARG A 40 46.824 3.534 2.685 1.00 1.00 C ATOM 580 CG ARG A 40 48.095 4.349 2.942 1.00 1.00 C ATOM 581 CD ARG A 40 49.081 3.520 3.771 1.00 1.00 C ATOM 582 NE ARG A 40 48.529 3.247 5.092 1.00 1.00 N ATOM 583 CZ ARG A 40 48.558 4.166 6.047 1.00 1.00 C ATOM 584 NH1 ARG A 40 49.040 5.353 5.794 1.00 1.00 N ATOM 585 NH2 ARG A 40 48.103 3.887 7.238 1.00 1.00 N ATOM 0 H ARG A 40 44.453 2.878 2.463 1.00 1.00 H new ATOM 0 HA ARG A 40 45.765 5.357 2.251 1.00 1.00 H new ATOM 0 HB2 ARG A 40 46.365 3.254 3.633 1.00 1.00 H new ATOM 0 HB3 ARG A 40 47.076 2.608 2.167 1.00 1.00 H new ATOM 0 HG2 ARG A 40 48.552 4.636 1.995 1.00 1.00 H new ATOM 0 HG3 ARG A 40 47.847 5.271 3.468 1.00 1.00 H new ATOM 0 HD2 ARG A 40 49.298 2.582 3.259 1.00 1.00 H new ATOM 0 HD3 ARG A 40 50.025 4.056 3.868 1.00 1.00 H new ATOM 0 HE ARG A 40 48.114 2.335 5.285 1.00 1.00 H new ATOM 0 HH11 ARG A 40 49.393 5.572 4.863 1.00 1.00 H new ATOM 0 HH12 ARG A 40 49.063 6.061 6.528 1.00 1.00 H new ATOM 0 HH21 ARG A 40 47.724 2.961 7.435 1.00 1.00 H new ATOM 0 HH22 ARG A 40 48.126 4.595 7.972 1.00 1.00 H new ATOM 599 N GLY A 41 45.550 3.833 -0.460 1.00 1.00 N ATOM 600 CA GLY A 41 45.835 3.861 -1.882 1.00 1.00 C ATOM 601 C GLY A 41 45.377 5.193 -2.455 1.00 1.00 C ATOM 602 O GLY A 41 46.168 5.959 -3.007 1.00 1.00 O ATOM 0 H GLY A 41 44.717 3.302 -0.207 1.00 1.00 H new ATOM 0 HA2 GLY A 41 46.903 3.725 -2.054 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.324 3.040 -2.384 1.00 1.00 H new ATOM 606 N TRP A 42 44.077 5.428 -2.358 1.00 1.00 N ATOM 607 CA TRP A 42 43.489 6.647 -2.917 1.00 1.00 C ATOM 608 C TRP A 42 44.358 7.856 -2.588 1.00 1.00 C ATOM 609 O TRP A 42 44.308 8.876 -3.273 1.00 1.00 O ATOM 610 CB TRP A 42 42.069 6.862 -2.376 1.00 1.00 C ATOM 611 CG TRP A 42 41.122 5.883 -3.003 1.00 1.00 C ATOM 612 CD1 TRP A 42 40.752 4.704 -2.454 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.409 5.979 -4.276 1.00 1.00 C ATOM 614 NE1 TRP A 42 39.866 4.068 -3.305 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.623 4.813 -4.440 1.00 1.00 C ATOM 616 CE3 TRP A 42 40.369 6.951 -5.293 1.00 1.00 C ATOM 617 CZ2 TRP A 42 38.829 4.618 -5.571 1.00 1.00 C ATOM 618 CZ3 TRP A 42 39.569 6.757 -6.432 1.00 1.00 C ATOM 619 CH2 TRP A 42 38.801 5.593 -6.570 1.00 1.00 C ATOM 0 H TRP A 42 43.412 4.802 -1.904 1.00 1.00 H new ATOM 0 HA TRP A 42 43.436 6.532 -4.000 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.063 6.742 -1.293 1.00 1.00 H new ATOM 0 HB3 TRP A 42 41.742 7.880 -2.586 1.00 1.00 H new ATOM 0 HD1 TRP A 42 41.093 4.320 -1.504 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.444 3.159 -3.116 1.00 1.00 H new ATOM 0 HE3 TRP A 42 40.957 7.852 -5.197 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.240 3.719 -5.673 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 39.546 7.510 -7.206 1.00 1.00 H new ATOM 0 HH2 TRP A 42 38.188 5.450 -7.448 1.00 1.00 H new ATOM 630 N VAL A 43 45.176 7.704 -1.562 1.00 1.00 N ATOM 631 CA VAL A 43 46.094 8.760 -1.157 1.00 1.00 C ATOM 632 C VAL A 43 47.121 9.040 -2.259 1.00 1.00 C ATOM 633 O VAL A 43 47.412 10.193 -2.576 1.00 1.00 O ATOM 634 CB VAL A 43 46.798 8.361 0.133 1.00 1.00 C ATOM 635 CG1 VAL A 43 47.848 9.413 0.492 1.00 1.00 C ATOM 636 CG2 VAL A 43 45.759 8.260 1.249 1.00 1.00 C ATOM 0 H VAL A 43 45.225 6.860 -0.992 1.00 1.00 H new ATOM 0 HA VAL A 43 45.524 9.673 -0.987 1.00 1.00 H new ATOM 0 HB VAL A 43 47.294 7.399 0.005 1.00 1.00 H new ATOM 0 HG11 VAL A 43 48.350 9.125 1.416 1.00 1.00 H new ATOM 0 HG12 VAL A 43 48.580 9.485 -0.312 1.00 1.00 H new ATOM 0 HG13 VAL A 43 47.363 10.379 0.629 1.00 1.00 H new ATOM 0 HG21 VAL A 43 46.251 7.975 2.179 1.00 1.00 H new ATOM 0 HG22 VAL A 43 45.269 9.225 1.379 1.00 1.00 H new ATOM 0 HG23 VAL A 43 45.015 7.508 0.986 1.00 1.00 H new ATOM 646 N THR A 44 47.690 7.965 -2.806 1.00 1.00 N ATOM 647 CA THR A 44 48.720 8.093 -3.836 1.00 1.00 C ATOM 648 C THR A 44 48.211 8.961 -4.976 1.00 1.00 C ATOM 649 O THR A 44 48.961 9.754 -5.547 1.00 1.00 O ATOM 650 CB THR A 44 49.104 6.714 -4.386 1.00 1.00 C ATOM 651 OG1 THR A 44 47.955 6.088 -4.940 1.00 1.00 O ATOM 652 CG2 THR A 44 49.668 5.844 -3.263 1.00 1.00 C ATOM 0 H THR A 44 47.457 7.004 -2.555 1.00 1.00 H new ATOM 0 HA THR A 44 49.598 8.556 -3.386 1.00 1.00 H new ATOM 0 HB THR A 44 49.863 6.835 -5.159 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.242 6.059 -4.268 1.00 1.00 H new ATOM 0 HG21 THR A 44 49.938 4.866 -3.661 1.00 1.00 H new ATOM 0 HG22 THR A 44 50.553 6.322 -2.842 1.00 1.00 H new ATOM 0 HG23 THR A 44 48.916 5.723 -2.484 1.00 1.00 H new ATOM 660 N ASP A 45 46.930 8.818 -5.293 1.00 1.00 N ATOM 661 CA ASP A 45 46.323 9.606 -6.354 1.00 1.00 C ATOM 662 C ASP A 45 45.936 10.992 -5.838 1.00 1.00 C ATOM 663 O ASP A 45 45.269 11.754 -6.537 1.00 1.00 O ATOM 664 CB ASP A 45 45.092 8.874 -6.921 1.00 1.00 C ATOM 665 CG ASP A 45 43.904 8.907 -5.951 1.00 1.00 C ATOM 666 OD1 ASP A 45 43.700 9.918 -5.302 1.00 1.00 O ATOM 667 OD2 ASP A 45 43.197 7.916 -5.894 1.00 1.00 O ATOM 0 H ASP A 45 46.295 8.166 -4.832 1.00 1.00 H new ATOM 0 HA ASP A 45 47.051 9.733 -7.155 1.00 1.00 H new ATOM 0 HB2 ASP A 45 44.801 9.333 -7.866 1.00 1.00 H new ATOM 0 HB3 ASP A 45 45.354 7.838 -7.137 1.00 1.00 H new ATOM 672 N GLY A 46 46.354 11.315 -4.612 1.00 1.00 N ATOM 673 CA GLY A 46 46.018 12.622 -4.051 1.00 1.00 C ATOM 674 C GLY A 46 44.549 12.652 -3.633 1.00 1.00 C ATOM 675 O GLY A 46 43.790 13.510 -4.085 1.00 1.00 O ATOM 0 H GLY A 46 46.908 10.710 -4.006 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.653 12.831 -3.190 1.00 1.00 H new ATOM 0 HA3 GLY A 46 46.211 13.403 -4.787 1.00 1.00 H new ATOM 679 N PHE A 47 44.144 11.725 -2.769 1.00 1.00 N ATOM 680 CA PHE A 47 42.760 11.680 -2.308 1.00 1.00 C ATOM 681 C PHE A 47 42.286 13.061 -1.870 1.00 1.00 C ATOM 682 O PHE A 47 41.084 13.315 -1.777 1.00 1.00 O ATOM 683 CB PHE A 47 42.619 10.695 -1.145 1.00 1.00 C ATOM 684 CG PHE A 47 41.165 10.591 -0.732 1.00 1.00 C ATOM 685 CD1 PHE A 47 40.211 10.114 -1.643 1.00 1.00 C ATOM 686 CD2 PHE A 47 40.770 10.960 0.563 1.00 1.00 C ATOM 687 CE1 PHE A 47 38.870 10.005 -1.260 1.00 1.00 C ATOM 688 CE2 PHE A 47 39.427 10.851 0.942 1.00 1.00 C ATOM 689 CZ PHE A 47 38.478 10.373 0.030 1.00 1.00 C ATOM 0 H PHE A 47 44.748 11.002 -2.377 1.00 1.00 H new ATOM 0 HA PHE A 47 42.140 11.346 -3.140 1.00 1.00 H new ATOM 0 HB2 PHE A 47 42.994 9.715 -1.440 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.223 11.027 -0.301 1.00 1.00 H new ATOM 0 HD1 PHE A 47 40.512 9.831 -2.641 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.502 11.328 1.267 1.00 1.00 H new ATOM 0 HE1 PHE A 47 38.137 9.636 -1.962 1.00 1.00 H new ATOM 0 HE2 PHE A 47 39.123 11.136 1.938 1.00 1.00 H new ATOM 0 HZ PHE A 47 37.442 10.289 0.324 1.00 1.00 H new ATOM 699 N SER A 48 43.234 13.946 -1.588 1.00 1.00 N ATOM 700 CA SER A 48 42.898 15.293 -1.142 1.00 1.00 C ATOM 701 C SER A 48 41.838 15.904 -2.046 1.00 1.00 C ATOM 702 O SER A 48 41.069 16.765 -1.617 1.00 1.00 O ATOM 703 CB SER A 48 44.141 16.180 -1.153 1.00 1.00 C ATOM 704 OG SER A 48 45.051 15.727 -0.159 1.00 1.00 O ATOM 0 H SER A 48 44.234 13.758 -1.659 1.00 1.00 H new ATOM 0 HA SER A 48 42.509 15.227 -0.126 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.613 16.151 -2.135 1.00 1.00 H new ATOM 0 HB3 SER A 48 43.864 17.217 -0.963 1.00 1.00 H new ATOM 0 HG SER A 48 45.851 16.294 -0.165 1.00 1.00 H new ATOM 710 N SER A 49 41.804 15.472 -3.302 1.00 1.00 N ATOM 711 CA SER A 49 40.840 16.010 -4.249 1.00 1.00 C ATOM 712 C SER A 49 39.442 16.014 -3.645 1.00 1.00 C ATOM 713 O SER A 49 38.538 16.662 -4.166 1.00 1.00 O ATOM 714 CB SER A 49 40.842 15.157 -5.517 1.00 1.00 C ATOM 715 OG SER A 49 39.907 15.688 -6.447 1.00 1.00 O ATOM 0 H SER A 49 42.426 14.759 -3.683 1.00 1.00 H new ATOM 0 HA SER A 49 41.121 17.035 -4.490 1.00 1.00 H new ATOM 0 HB2 SER A 49 41.839 15.142 -5.956 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.585 14.126 -5.275 1.00 1.00 H new ATOM 0 HG SER A 49 39.909 15.142 -7.261 1.00 1.00 H new ATOM 721 N LEU A 50 39.277 15.324 -2.522 1.00 1.00 N ATOM 722 CA LEU A 50 37.990 15.303 -1.839 1.00 1.00 C ATOM 723 C LEU A 50 37.804 16.587 -1.037 1.00 1.00 C ATOM 724 O LEU A 50 36.685 17.067 -0.865 1.00 1.00 O ATOM 725 CB LEU A 50 37.898 14.091 -0.899 1.00 1.00 C ATOM 726 CG LEU A 50 36.588 14.147 -0.087 1.00 1.00 C ATOM 727 CD1 LEU A 50 35.379 14.243 -1.033 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.462 12.893 0.796 1.00 1.00 C ATOM 0 H LEU A 50 40.010 14.777 -2.070 1.00 1.00 H new ATOM 0 HA LEU A 50 37.203 15.227 -2.589 1.00 1.00 H new ATOM 0 HB2 LEU A 50 37.937 13.168 -1.478 1.00 1.00 H new ATOM 0 HB3 LEU A 50 38.753 14.079 -0.223 1.00 1.00 H new ATOM 0 HG LEU A 50 36.609 15.032 0.550 1.00 1.00 H new ATOM 0 HD11 LEU A 50 34.461 14.282 -0.447 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.462 15.146 -1.638 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.357 13.370 -1.685 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.534 12.941 1.366 1.00 1.00 H new ATOM 0 HD22 LEU A 50 36.455 12.004 0.166 1.00 1.00 H new ATOM 0 HD23 LEU A 50 37.307 12.845 1.483 1.00 1.00 H new ATOM 740 N LYS A 51 38.914 17.132 -0.546 1.00 1.00 N ATOM 741 CA LYS A 51 38.873 18.356 0.246 1.00 1.00 C ATOM 742 C LYS A 51 38.266 19.491 -0.569 1.00 1.00 C ATOM 743 O LYS A 51 37.447 20.260 -0.068 1.00 1.00 O ATOM 744 CB LYS A 51 40.288 18.736 0.696 1.00 1.00 C ATOM 745 CG LYS A 51 40.802 17.704 1.707 1.00 1.00 C ATOM 746 CD LYS A 51 42.217 18.087 2.158 1.00 1.00 C ATOM 747 CE LYS A 51 42.722 17.071 3.185 1.00 1.00 C ATOM 748 NZ LYS A 51 44.105 17.435 3.606 1.00 1.00 N ATOM 0 H LYS A 51 39.849 16.747 -0.682 1.00 1.00 H new ATOM 0 HA LYS A 51 38.253 18.184 1.126 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.955 18.779 -0.165 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.283 19.729 1.146 1.00 1.00 H new ATOM 0 HG2 LYS A 51 40.135 17.659 2.568 1.00 1.00 H new ATOM 0 HG3 LYS A 51 40.809 16.711 1.257 1.00 1.00 H new ATOM 0 HD2 LYS A 51 42.888 18.115 1.299 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.213 19.087 2.592 1.00 1.00 H new ATOM 0 HE2 LYS A 51 42.060 17.053 4.051 1.00 1.00 H new ATOM 0 HE3 LYS A 51 42.713 16.069 2.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 44.448 16.745 4.304 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 44.733 17.431 2.777 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 44.100 18.384 4.031 1.00 1.00 H new ATOM 762 N ASP A 52 38.666 19.576 -1.828 1.00 1.00 N ATOM 763 CA ASP A 52 38.145 20.609 -2.711 1.00 1.00 C ATOM 764 C ASP A 52 36.627 20.532 -2.763 1.00 1.00 C ATOM 765 O ASP A 52 35.934 21.450 -2.324 1.00 1.00 O ATOM 766 CB ASP A 52 38.722 20.448 -4.118 1.00 1.00 C ATOM 767 CG ASP A 52 40.222 20.719 -4.101 1.00 1.00 C ATOM 768 OD1 ASP A 52 40.669 21.402 -3.195 1.00 1.00 O ATOM 769 OD2 ASP A 52 40.901 20.238 -4.992 1.00 1.00 O ATOM 0 H ASP A 52 39.344 18.948 -2.259 1.00 1.00 H new ATOM 0 HA ASP A 52 38.441 21.583 -2.320 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.531 19.440 -4.485 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.228 21.136 -4.804 1.00 1.00 H new ATOM 774 N TYR A 53 36.113 19.438 -3.310 1.00 1.00 N ATOM 775 CA TYR A 53 34.673 19.273 -3.418 1.00 1.00 C ATOM 776 C TYR A 53 34.033 19.287 -2.039 1.00 1.00 C ATOM 777 O TYR A 53 33.036 19.973 -1.819 1.00 1.00 O ATOM 778 CB TYR A 53 34.342 17.955 -4.123 1.00 1.00 C ATOM 779 CG TYR A 53 34.719 18.046 -5.585 1.00 1.00 C ATOM 780 CD1 TYR A 53 33.889 18.730 -6.480 1.00 1.00 C ATOM 781 CD2 TYR A 53 35.896 17.442 -6.044 1.00 1.00 C ATOM 782 CE1 TYR A 53 34.236 18.812 -7.835 1.00 1.00 C ATOM 783 CE2 TYR A 53 36.243 17.524 -7.399 1.00 1.00 C ATOM 784 CZ TYR A 53 35.413 18.209 -8.293 1.00 1.00 C ATOM 785 OH TYR A 53 35.756 18.291 -9.628 1.00 1.00 O ATOM 0 H TYR A 53 36.664 18.663 -3.680 1.00 1.00 H new ATOM 0 HA TYR A 53 34.276 20.102 -4.003 1.00 1.00 H new ATOM 0 HB2 TYR A 53 34.880 17.134 -3.650 1.00 1.00 H new ATOM 0 HB3 TYR A 53 33.278 17.737 -4.025 1.00 1.00 H new ATOM 0 HD1 TYR A 53 32.981 19.195 -6.126 1.00 1.00 H new ATOM 0 HD2 TYR A 53 36.536 16.913 -5.354 1.00 1.00 H new ATOM 0 HE1 TYR A 53 33.595 19.340 -8.526 1.00 1.00 H new ATOM 0 HE2 TYR A 53 37.151 17.059 -7.753 1.00 1.00 H new ATOM 0 HH TYR A 53 36.602 17.820 -9.778 1.00 1.00 H new ATOM 795 N TRP A 54 34.604 18.537 -1.106 1.00 1.00 N ATOM 796 CA TRP A 54 34.059 18.499 0.241 1.00 1.00 C ATOM 797 C TRP A 54 34.030 19.900 0.835 1.00 1.00 C ATOM 798 O TRP A 54 32.971 20.411 1.193 1.00 1.00 O ATOM 799 CB TRP A 54 34.926 17.589 1.110 1.00 1.00 C ATOM 800 CG TRP A 54 34.383 17.535 2.497 1.00 1.00 C ATOM 801 CD1 TRP A 54 33.139 17.124 2.825 1.00 1.00 C ATOM 802 CD2 TRP A 54 35.047 17.880 3.747 1.00 1.00 C ATOM 803 NE1 TRP A 54 32.991 17.205 4.197 1.00 1.00 N ATOM 804 CE2 TRP A 54 34.141 17.665 4.809 1.00 1.00 C ATOM 805 CE3 TRP A 54 36.335 18.359 4.060 1.00 1.00 C ATOM 806 CZ2 TRP A 54 34.494 17.913 6.135 1.00 1.00 C ATOM 807 CZ3 TRP A 54 36.694 18.608 5.395 1.00 1.00 C ATOM 808 CH2 TRP A 54 35.775 18.387 6.430 1.00 1.00 C ATOM 0 H TRP A 54 35.430 17.957 -1.254 1.00 1.00 H new ATOM 0 HA TRP A 54 33.041 18.112 0.205 1.00 1.00 H new ATOM 0 HB2 TRP A 54 34.955 16.586 0.684 1.00 1.00 H new ATOM 0 HB3 TRP A 54 35.951 17.958 1.127 1.00 1.00 H new ATOM 0 HD1 TRP A 54 32.384 16.787 2.130 1.00 1.00 H new ATOM 0 HE1 TRP A 54 32.137 16.956 4.696 1.00 1.00 H new ATOM 0 HE3 TRP A 54 37.049 18.535 3.270 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 33.782 17.740 6.929 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 37.684 18.972 5.625 1.00 1.00 H new ATOM 0 HH2 TRP A 54 36.057 18.583 7.454 1.00 1.00 H new ATOM 819 N SER A 55 35.200 20.518 0.937 1.00 1.00 N ATOM 820 CA SER A 55 35.287 21.860 1.493 1.00 1.00 C ATOM 821 C SER A 55 34.262 22.767 0.829 1.00 1.00 C ATOM 822 O SER A 55 33.679 23.639 1.470 1.00 1.00 O ATOM 823 CB SER A 55 36.693 22.431 1.297 1.00 1.00 C ATOM 824 OG SER A 55 36.957 22.572 -0.094 1.00 1.00 O ATOM 0 H SER A 55 36.091 20.116 0.646 1.00 1.00 H new ATOM 0 HA SER A 55 35.078 21.807 2.561 1.00 1.00 H new ATOM 0 HB2 SER A 55 36.777 23.397 1.794 1.00 1.00 H new ATOM 0 HB3 SER A 55 37.432 21.772 1.754 1.00 1.00 H new ATOM 0 HG SER A 55 36.722 21.741 -0.557 1.00 1.00 H new ATOM 830 N THR A 56 34.033 22.537 -0.460 1.00 1.00 N ATOM 831 CA THR A 56 33.053 23.328 -1.195 1.00 1.00 C ATOM 832 C THR A 56 31.638 22.847 -0.878 1.00 1.00 C ATOM 833 O THR A 56 30.908 23.495 -0.126 1.00 1.00 O ATOM 834 CB THR A 56 33.315 23.215 -2.699 1.00 1.00 C ATOM 835 OG1 THR A 56 34.635 23.660 -2.977 1.00 1.00 O ATOM 836 CG2 THR A 56 32.311 24.078 -3.467 1.00 1.00 C ATOM 0 H THR A 56 34.505 21.820 -1.011 1.00 1.00 H new ATOM 0 HA THR A 56 33.146 24.371 -0.892 1.00 1.00 H new ATOM 0 HB THR A 56 33.203 22.176 -3.010 1.00 1.00 H new ATOM 0 HG1 THR A 56 35.273 22.951 -2.752 1.00 1.00 H new ATOM 0 HG21 THR A 56 32.502 23.994 -4.537 1.00 1.00 H new ATOM 0 HG22 THR A 56 31.298 23.737 -3.251 1.00 1.00 H new ATOM 0 HG23 THR A 56 32.416 25.119 -3.160 1.00 1.00 H new ATOM 844 N VAL A 57 31.256 21.709 -1.468 1.00 1.00 N ATOM 845 CA VAL A 57 29.919 21.144 -1.258 1.00 1.00 C ATOM 846 C VAL A 57 29.463 21.351 0.183 1.00 1.00 C ATOM 847 O VAL A 57 28.481 22.050 0.438 1.00 1.00 O ATOM 848 CB VAL A 57 29.921 19.646 -1.582 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.531 19.059 -1.317 1.00 1.00 C ATOM 850 CG2 VAL A 57 30.283 19.442 -3.054 1.00 1.00 C ATOM 0 H VAL A 57 31.851 21.163 -2.092 1.00 1.00 H new ATOM 0 HA VAL A 57 29.226 21.659 -1.924 1.00 1.00 H new ATOM 0 HB VAL A 57 30.654 19.143 -0.951 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.536 17.994 -1.548 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.270 19.201 -0.268 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.797 19.564 -1.945 1.00 1.00 H new ATOM 0 HG21 VAL A 57 30.284 18.377 -3.284 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.550 19.948 -3.682 1.00 1.00 H new ATOM 0 HG23 VAL A 57 31.273 19.856 -3.246 1.00 1.00 H new ATOM 860 N LYS A 58 30.187 20.748 1.121 1.00 1.00 N ATOM 861 CA LYS A 58 29.853 20.880 2.535 1.00 1.00 C ATOM 862 C LYS A 58 29.481 22.321 2.871 1.00 1.00 C ATOM 863 O LYS A 58 28.370 22.596 3.318 1.00 1.00 O ATOM 864 CB LYS A 58 31.051 20.453 3.387 1.00 1.00 C ATOM 865 CG LYS A 58 30.703 20.579 4.873 1.00 1.00 C ATOM 866 CD LYS A 58 31.871 20.074 5.715 1.00 1.00 C ATOM 867 CE LYS A 58 31.521 20.204 7.196 1.00 1.00 C ATOM 868 NZ LYS A 58 32.657 19.706 8.021 1.00 1.00 N ATOM 0 H LYS A 58 31.003 20.167 0.930 1.00 1.00 H new ATOM 0 HA LYS A 58 28.998 20.239 2.749 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.326 19.424 3.155 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.915 21.074 3.153 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.486 21.618 5.120 1.00 1.00 H new ATOM 0 HG3 LYS A 58 29.804 20.004 5.097 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.087 19.034 5.471 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.770 20.647 5.491 1.00 1.00 H new ATOM 0 HE2 LYS A 58 31.309 21.245 7.440 1.00 1.00 H new ATOM 0 HE3 LYS A 58 30.619 19.634 7.419 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 32.332 18.923 8.623 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 33.418 19.370 7.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 33.016 20.477 8.620 1.00 1.00 H new ATOM 882 N ASP A 59 30.423 23.231 2.672 1.00 1.00 N ATOM 883 CA ASP A 59 30.179 24.633 2.979 1.00 1.00 C ATOM 884 C ASP A 59 28.999 25.147 2.170 1.00 1.00 C ATOM 885 O ASP A 59 28.144 25.866 2.690 1.00 1.00 O ATOM 886 CB ASP A 59 31.424 25.464 2.655 1.00 1.00 C ATOM 887 CG ASP A 59 32.522 25.184 3.677 1.00 1.00 C ATOM 888 OD1 ASP A 59 32.214 24.605 4.704 1.00 1.00 O ATOM 889 OD2 ASP A 59 33.655 25.554 3.414 1.00 1.00 O ATOM 0 H ASP A 59 31.352 23.028 2.304 1.00 1.00 H new ATOM 0 HA ASP A 59 29.952 24.725 4.041 1.00 1.00 H new ATOM 0 HB2 ASP A 59 31.780 25.225 1.653 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.174 26.525 2.660 1.00 1.00 H new ATOM 894 N LYS A 60 28.961 24.791 0.896 1.00 1.00 N ATOM 895 CA LYS A 60 27.888 25.235 0.026 1.00 1.00 C ATOM 896 C LYS A 60 26.558 24.628 0.433 1.00 1.00 C ATOM 897 O LYS A 60 25.508 25.010 -0.083 1.00 1.00 O ATOM 898 CB LYS A 60 28.214 24.835 -1.415 1.00 1.00 C ATOM 899 CG LYS A 60 29.459 25.579 -1.926 1.00 1.00 C ATOM 900 CD LYS A 60 29.143 27.063 -2.147 1.00 1.00 C ATOM 901 CE LYS A 60 30.185 27.682 -3.080 1.00 1.00 C ATOM 902 NZ LYS A 60 29.821 29.103 -3.327 1.00 1.00 N ATOM 0 H LYS A 60 29.658 24.199 0.445 1.00 1.00 H new ATOM 0 HA LYS A 60 27.803 26.319 0.109 1.00 1.00 H new ATOM 0 HB2 LYS A 60 28.382 23.759 -1.468 1.00 1.00 H new ATOM 0 HB3 LYS A 60 27.363 25.057 -2.059 1.00 1.00 H new ATOM 0 HG2 LYS A 60 30.272 25.477 -1.207 1.00 1.00 H new ATOM 0 HG3 LYS A 60 29.801 25.131 -2.859 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.147 27.172 -2.576 1.00 1.00 H new ATOM 0 HD3 LYS A 60 29.138 27.589 -1.192 1.00 1.00 H new ATOM 0 HE2 LYS A 60 31.177 27.618 -2.633 1.00 1.00 H new ATOM 0 HE3 LYS A 60 30.223 27.133 -4.021 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 30.523 29.536 -3.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 28.881 29.149 -3.769 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 29.805 29.619 -2.424 1.00 1.00 H new ATOM 916 N PHE A 61 26.596 23.694 1.358 1.00 1.00 N ATOM 917 CA PHE A 61 25.372 23.071 1.811 1.00 1.00 C ATOM 918 C PHE A 61 24.517 24.112 2.526 1.00 1.00 C ATOM 919 O PHE A 61 23.300 23.962 2.639 1.00 1.00 O ATOM 920 CB PHE A 61 25.696 21.923 2.769 1.00 1.00 C ATOM 921 CG PHE A 61 24.447 21.123 3.046 1.00 1.00 C ATOM 922 CD1 PHE A 61 23.990 20.196 2.102 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.749 21.305 4.246 1.00 1.00 C ATOM 924 CE1 PHE A 61 22.834 19.449 2.359 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.593 20.558 4.502 1.00 1.00 C ATOM 926 CZ PHE A 61 22.136 19.630 3.559 1.00 1.00 C ATOM 0 H PHE A 61 27.447 23.353 1.805 1.00 1.00 H new ATOM 0 HA PHE A 61 24.827 22.673 0.955 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.462 21.280 2.336 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.101 22.318 3.701 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.529 20.057 1.176 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.102 22.021 4.973 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.481 18.733 1.632 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.054 20.698 5.427 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.245 19.053 3.757 1.00 1.00 H new ATOM 936 N SER A 62 25.167 25.181 2.994 1.00 1.00 N ATOM 937 CA SER A 62 24.445 26.252 3.682 1.00 1.00 C ATOM 938 C SER A 62 23.609 27.077 2.707 1.00 1.00 C ATOM 939 O SER A 62 22.402 27.249 2.892 1.00 1.00 O ATOM 940 CB SER A 62 25.417 27.163 4.428 1.00 1.00 C ATOM 941 OG SER A 62 26.076 26.412 5.438 1.00 1.00 O ATOM 0 H SER A 62 26.173 25.326 2.911 1.00 1.00 H new ATOM 0 HA SER A 62 23.771 25.783 4.399 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.146 27.582 3.735 1.00 1.00 H new ATOM 0 HB3 SER A 62 24.881 28.001 4.872 1.00 1.00 H new ATOM 0 HG SER A 62 26.703 26.991 5.920 1.00 1.00 H new ATOM 947 N GLU A 63 24.272 27.597 1.674 1.00 1.00 N ATOM 948 CA GLU A 63 23.601 28.422 0.672 1.00 1.00 C ATOM 949 C GLU A 63 22.744 27.573 -0.251 1.00 1.00 C ATOM 950 O GLU A 63 21.710 28.025 -0.744 1.00 1.00 O ATOM 951 CB GLU A 63 24.641 29.191 -0.147 1.00 1.00 C ATOM 952 CG GLU A 63 25.571 28.202 -0.860 1.00 1.00 C ATOM 953 CD GLU A 63 24.905 27.657 -2.121 1.00 1.00 C ATOM 954 OE1 GLU A 63 24.214 28.416 -2.779 1.00 1.00 O ATOM 955 OE2 GLU A 63 25.094 26.486 -2.406 1.00 1.00 O ATOM 0 H GLU A 63 25.270 27.462 1.510 1.00 1.00 H new ATOM 0 HA GLU A 63 22.950 29.126 1.190 1.00 1.00 H new ATOM 0 HB2 GLU A 63 24.144 29.829 -0.878 1.00 1.00 H new ATOM 0 HB3 GLU A 63 25.220 29.845 0.505 1.00 1.00 H new ATOM 0 HG2 GLU A 63 26.507 28.697 -1.120 1.00 1.00 H new ATOM 0 HG3 GLU A 63 25.821 27.380 -0.189 1.00 1.00 H new ATOM 962 N PHE A 64 23.189 26.349 -0.508 1.00 1.00 N ATOM 963 CA PHE A 64 22.461 25.465 -1.403 1.00 1.00 C ATOM 964 C PHE A 64 21.030 25.280 -0.919 1.00 1.00 C ATOM 965 O PHE A 64 20.213 24.657 -1.596 1.00 1.00 O ATOM 966 CB PHE A 64 23.167 24.104 -1.458 1.00 1.00 C ATOM 967 CG PHE A 64 22.355 23.135 -2.291 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.259 23.318 -3.675 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.698 22.058 -1.679 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.506 22.426 -4.447 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.947 21.165 -2.453 1.00 1.00 C ATOM 972 CZ PHE A 64 20.850 21.350 -3.837 1.00 1.00 C ATOM 0 H PHE A 64 24.041 25.951 -0.113 1.00 1.00 H new ATOM 0 HA PHE A 64 22.438 25.909 -2.398 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.163 24.218 -1.886 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.296 23.711 -0.450 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.766 24.147 -4.147 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.771 21.917 -0.611 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.431 22.568 -5.515 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.443 20.334 -1.982 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.269 20.663 -4.434 1.00 1.00 H new ATOM 982 N TRP A 65 20.722 25.841 0.246 1.00 1.00 N ATOM 983 CA TRP A 65 19.372 25.737 0.782 1.00 1.00 C ATOM 984 C TRP A 65 18.445 26.741 0.086 1.00 1.00 C ATOM 985 O TRP A 65 17.383 26.374 -0.421 1.00 1.00 O ATOM 986 CB TRP A 65 19.407 26.016 2.285 1.00 1.00 C ATOM 987 CG TRP A 65 18.043 25.835 2.858 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.242 26.835 3.286 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.308 24.598 3.072 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.059 26.292 3.749 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.051 24.915 3.638 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.605 23.244 2.833 1.00 1.00 C ATOM 993 CZ2 TRP A 65 15.121 23.926 3.955 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.672 22.245 3.152 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.433 22.585 3.710 1.00 1.00 C ATOM 0 H TRP A 65 21.377 26.363 0.828 1.00 1.00 H new ATOM 0 HA TRP A 65 18.990 24.732 0.604 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.110 25.342 2.774 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.758 27.031 2.469 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.486 27.887 3.269 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.286 26.840 4.126 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.557 22.971 2.401 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.168 24.193 4.386 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 16.911 21.208 2.966 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.719 21.812 3.951 1.00 1.00 H new ATOM 1006 N ASP A 66 18.870 28.004 0.050 1.00 1.00 N ATOM 1007 CA ASP A 66 18.100 29.069 -0.602 1.00 1.00 C ATOM 1008 C ASP A 66 18.447 29.153 -2.080 1.00 1.00 C ATOM 1009 O ASP A 66 19.573 29.482 -2.453 1.00 1.00 O ATOM 1010 CB ASP A 66 18.386 30.413 0.072 1.00 1.00 C ATOM 1011 CG ASP A 66 17.513 31.500 -0.546 1.00 1.00 C ATOM 1012 OD1 ASP A 66 16.828 31.204 -1.512 1.00 1.00 O ATOM 1013 OD2 ASP A 66 17.537 32.610 -0.042 1.00 1.00 O ATOM 0 H ASP A 66 19.747 28.318 0.466 1.00 1.00 H new ATOM 0 HA ASP A 66 17.040 28.835 -0.504 1.00 1.00 H new ATOM 0 HB2 ASP A 66 18.190 30.342 1.142 1.00 1.00 H new ATOM 0 HB3 ASP A 66 19.439 30.671 -0.043 1.00 1.00 H new ATOM 1018 N LEU A 67 17.459 28.858 -2.909 1.00 1.00 N ATOM 1019 CA LEU A 67 17.617 28.894 -4.357 1.00 1.00 C ATOM 1020 C LEU A 67 17.295 30.286 -4.880 1.00 1.00 C ATOM 1021 O LEU A 67 17.111 31.227 -4.106 1.00 1.00 O ATOM 1022 CB LEU A 67 16.718 27.845 -5.025 1.00 1.00 C ATOM 1023 CG LEU A 67 17.366 26.451 -4.915 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.641 26.361 -5.790 1.00 1.00 C ATOM 1025 CD2 LEU A 67 17.714 26.178 -3.443 1.00 1.00 C ATOM 0 H LEU A 67 16.526 28.587 -2.600 1.00 1.00 H new ATOM 0 HA LEU A 67 18.652 28.658 -4.602 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.737 27.838 -4.549 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.562 28.101 -6.073 1.00 1.00 H new ATOM 0 HG LEU A 67 16.661 25.702 -5.275 1.00 1.00 H new ATOM 0 HD11 LEU A 67 19.079 25.367 -5.694 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.380 26.544 -6.833 1.00 1.00 H new ATOM 0 HD13 LEU A 67 19.362 27.108 -5.460 1.00 1.00 H new ATOM 0 HD21 LEU A 67 18.173 25.193 -3.354 1.00 1.00 H new ATOM 0 HD22 LEU A 67 18.411 26.937 -3.087 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.805 26.210 -2.842 1.00 1.00 H new ATOM 1037 N ASP A 68 17.268 30.419 -6.195 1.00 1.00 N ATOM 1038 CA ASP A 68 17.020 31.706 -6.820 1.00 1.00 C ATOM 1039 C ASP A 68 15.699 32.274 -6.305 1.00 1.00 C ATOM 1040 O ASP A 68 14.920 31.569 -5.667 1.00 1.00 O ATOM 1041 CB ASP A 68 16.970 31.513 -8.369 1.00 1.00 C ATOM 1042 CG ASP A 68 16.973 30.026 -8.740 1.00 1.00 C ATOM 1043 OD1 ASP A 68 16.136 29.302 -8.224 1.00 1.00 O ATOM 1044 OD2 ASP A 68 17.807 29.635 -9.542 1.00 1.00 O ATOM 0 H ASP A 68 17.415 29.651 -6.850 1.00 1.00 H new ATOM 0 HA ASP A 68 17.818 32.407 -6.574 1.00 1.00 H new ATOM 0 HB2 ASP A 68 16.075 31.989 -8.769 1.00 1.00 H new ATOM 0 HB3 ASP A 68 17.826 32.007 -8.828 1.00 1.00 H new ATOM 1049 N PRO A 69 15.449 33.537 -6.541 1.00 1.00 N ATOM 1050 CA PRO A 69 14.207 34.202 -6.060 1.00 1.00 C ATOM 1051 C PRO A 69 12.965 33.353 -6.338 1.00 1.00 C ATOM 1052 O PRO A 69 11.892 33.618 -5.791 1.00 1.00 O ATOM 1053 CB PRO A 69 14.164 35.540 -6.853 1.00 1.00 C ATOM 1054 CG PRO A 69 15.371 35.550 -7.760 1.00 1.00 C ATOM 1055 CD PRO A 69 16.331 34.487 -7.237 1.00 1.00 C ATOM 0 HA PRO A 69 14.212 34.353 -4.980 1.00 1.00 H new ATOM 0 HB2 PRO A 69 13.244 35.616 -7.433 1.00 1.00 H new ATOM 0 HB3 PRO A 69 14.184 36.392 -6.174 1.00 1.00 H new ATOM 0 HG2 PRO A 69 15.082 35.336 -8.789 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.845 36.531 -7.760 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.878 34.006 -8.048 1.00 1.00 H new ATOM 0 HD3 PRO A 69 17.073 34.914 -6.562 1.00 1.00 H new ATOM 1063 N GLU A 70 13.115 32.321 -7.164 1.00 1.00 N ATOM 1064 CA GLU A 70 12.000 31.428 -7.471 1.00 1.00 C ATOM 1065 C GLU A 70 12.414 29.986 -7.225 1.00 1.00 C ATOM 1066 O GLU A 70 13.202 29.416 -7.980 1.00 1.00 O ATOM 1067 CB GLU A 70 11.592 31.606 -8.936 1.00 1.00 C ATOM 1068 CG GLU A 70 11.004 33.007 -9.134 1.00 1.00 C ATOM 1069 CD GLU A 70 10.617 33.211 -10.596 1.00 1.00 C ATOM 1070 OE1 GLU A 70 10.856 32.311 -11.383 1.00 1.00 O ATOM 1071 OE2 GLU A 70 10.089 34.266 -10.907 1.00 1.00 O ATOM 0 H GLU A 70 13.991 32.083 -7.630 1.00 1.00 H new ATOM 0 HA GLU A 70 11.154 31.671 -6.828 1.00 1.00 H new ATOM 0 HB2 GLU A 70 12.457 31.467 -9.585 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.859 30.849 -9.215 1.00 1.00 H new ATOM 0 HG2 GLU A 70 10.129 33.136 -8.497 1.00 1.00 H new ATOM 0 HG3 GLU A 70 11.731 33.761 -8.834 1.00 1.00 H new ATOM 1078 N VAL A 71 11.851 29.387 -6.176 1.00 1.00 N ATOM 1079 CA VAL A 71 12.152 27.998 -5.872 1.00 1.00 C ATOM 1080 C VAL A 71 11.062 27.125 -6.461 1.00 1.00 C ATOM 1081 O VAL A 71 10.068 26.827 -5.799 1.00 1.00 O ATOM 1082 CB VAL A 71 12.178 27.805 -4.352 1.00 1.00 C ATOM 1083 CG1 VAL A 71 12.814 26.455 -4.018 1.00 1.00 C ATOM 1084 CG2 VAL A 71 12.976 28.943 -3.710 1.00 1.00 C ATOM 0 H VAL A 71 11.196 29.836 -5.536 1.00 1.00 H new ATOM 0 HA VAL A 71 13.121 27.728 -6.292 1.00 1.00 H new ATOM 0 HB VAL A 71 11.161 27.820 -3.961 1.00 1.00 H new ATOM 0 HG11 VAL A 71 12.832 26.319 -2.937 1.00 1.00 H new ATOM 0 HG12 VAL A 71 12.231 25.655 -4.475 1.00 1.00 H new ATOM 0 HG13 VAL A 71 13.833 26.427 -4.404 1.00 1.00 H new ATOM 0 HG21 VAL A 71 12.996 28.808 -2.629 1.00 1.00 H new ATOM 0 HG22 VAL A 71 13.995 28.935 -4.096 1.00 1.00 H new ATOM 0 HG23 VAL A 71 12.505 29.897 -3.948 1.00 1.00 H new ATOM 1094 N ARG A 72 11.266 26.702 -7.707 1.00 1.00 N ATOM 1095 CA ARG A 72 10.299 25.835 -8.384 1.00 1.00 C ATOM 1096 C ARG A 72 10.976 24.575 -8.938 1.00 1.00 C ATOM 1097 O ARG A 72 12.024 24.670 -9.579 1.00 1.00 O ATOM 1098 CB ARG A 72 9.587 26.599 -9.510 1.00 1.00 C ATOM 1099 CG ARG A 72 8.554 27.577 -8.907 1.00 1.00 C ATOM 1100 CD ARG A 72 7.207 26.871 -8.701 1.00 1.00 C ATOM 1101 NE ARG A 72 6.239 27.799 -8.131 1.00 1.00 N ATOM 1102 CZ ARG A 72 5.712 28.770 -8.865 1.00 1.00 C ATOM 1103 NH1 ARG A 72 6.008 28.858 -10.132 1.00 1.00 N ATOM 1104 NH2 ARG A 72 4.903 29.636 -8.320 1.00 1.00 N ATOM 0 H ARG A 72 12.085 26.942 -8.266 1.00 1.00 H new ATOM 0 HA ARG A 72 9.557 25.523 -7.649 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.316 27.148 -10.107 1.00 1.00 H new ATOM 0 HB3 ARG A 72 9.090 25.898 -10.180 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.920 27.961 -7.955 1.00 1.00 H new ATOM 0 HG3 ARG A 72 8.426 28.434 -9.568 1.00 1.00 H new ATOM 0 HD2 ARG A 72 6.839 26.488 -9.653 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.334 26.014 -8.040 1.00 1.00 H new ATOM 0 HE ARG A 72 5.963 27.701 -7.154 1.00 1.00 H new ATOM 0 HH11 ARG A 72 6.643 28.181 -10.556 1.00 1.00 H new ATOM 0 HH12 ARG A 72 5.605 29.603 -10.699 1.00 1.00 H new ATOM 0 HH21 ARG A 72 4.675 29.567 -7.328 1.00 1.00 H new ATOM 0 HH22 ARG A 72 4.498 30.382 -8.886 1.00 1.00 H new ATOM 1118 N PRO A 73 10.411 23.399 -8.739 1.00 1.00 N ATOM 1119 CA PRO A 73 11.013 22.147 -9.278 1.00 1.00 C ATOM 1120 C PRO A 73 11.149 22.212 -10.805 1.00 1.00 C ATOM 1121 O PRO A 73 11.928 21.464 -11.398 1.00 1.00 O ATOM 1122 CB PRO A 73 10.031 21.013 -8.881 1.00 1.00 C ATOM 1123 CG PRO A 73 8.869 21.652 -8.163 1.00 1.00 C ATOM 1124 CD PRO A 73 9.176 23.138 -7.972 1.00 1.00 C ATOM 0 HA PRO A 73 12.015 21.987 -8.879 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.687 20.476 -9.765 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.526 20.285 -8.238 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.952 21.525 -8.738 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.709 21.171 -7.198 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.354 23.756 -8.333 1.00 1.00 H new ATOM 0 HD3 PRO A 73 9.314 23.376 -6.917 1.00 1.00 H new ATOM 1132 N THR A 74 10.368 23.094 -11.435 1.00 1.00 N ATOM 1133 CA THR A 74 10.401 23.222 -12.894 1.00 1.00 C ATOM 1134 C THR A 74 11.587 24.050 -13.352 1.00 1.00 C ATOM 1135 O THR A 74 12.493 23.547 -14.018 1.00 1.00 O ATOM 1136 CB THR A 74 9.099 23.849 -13.400 1.00 1.00 C ATOM 1137 OG1 THR A 74 8.009 23.015 -13.037 1.00 1.00 O ATOM 1138 CG2 THR A 74 9.149 23.988 -14.924 1.00 1.00 C ATOM 0 H THR A 74 9.714 23.721 -10.966 1.00 1.00 H new ATOM 0 HA THR A 74 10.506 22.221 -13.313 1.00 1.00 H new ATOM 0 HB THR A 74 8.974 24.836 -12.954 1.00 1.00 H new ATOM 0 HG1 THR A 74 7.172 23.412 -13.357 1.00 1.00 H new ATOM 0 HG21 THR A 74 8.220 24.435 -15.279 1.00 1.00 H new ATOM 0 HG22 THR A 74 9.988 24.625 -15.204 1.00 1.00 H new ATOM 0 HG23 THR A 74 9.274 23.004 -15.375 1.00 1.00 H new ATOM 1146 N SER A 75 11.560 25.326 -13.017 1.00 1.00 N ATOM 1147 CA SER A 75 12.623 26.223 -13.425 1.00 1.00 C ATOM 1148 C SER A 75 13.959 25.714 -12.902 1.00 1.00 C ATOM 1149 O SER A 75 14.980 25.830 -13.576 1.00 1.00 O ATOM 1150 CB SER A 75 12.360 27.620 -12.870 1.00 1.00 C ATOM 1151 OG SER A 75 12.317 27.556 -11.449 1.00 1.00 O ATOM 0 H SER A 75 10.819 25.762 -12.468 1.00 1.00 H new ATOM 0 HA SER A 75 12.654 26.265 -14.514 1.00 1.00 H new ATOM 0 HB2 SER A 75 13.143 28.306 -13.192 1.00 1.00 H new ATOM 0 HB3 SER A 75 11.418 28.007 -13.258 1.00 1.00 H new ATOM 0 HG SER A 75 12.150 28.451 -11.086 1.00 1.00 H new ATOM 1157 N ALA A 76 13.950 25.143 -11.703 1.00 1.00 N ATOM 1158 CA ALA A 76 15.178 24.616 -11.123 1.00 1.00 C ATOM 1159 C ALA A 76 15.809 23.589 -12.056 1.00 1.00 C ATOM 1160 O ALA A 76 16.936 23.764 -12.519 1.00 1.00 O ATOM 1161 CB ALA A 76 14.880 23.971 -9.770 1.00 1.00 C ATOM 0 H ALA A 76 13.119 25.034 -11.121 1.00 1.00 H new ATOM 0 HA ALA A 76 15.878 25.440 -10.983 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.803 23.579 -9.343 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.456 24.716 -9.097 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.168 23.157 -9.904 1.00 1.00 H new ATOM 1167 N VAL A 77 15.080 22.508 -12.309 1.00 1.00 N ATOM 1168 CA VAL A 77 15.591 21.447 -13.169 1.00 1.00 C ATOM 1169 C VAL A 77 15.882 22.001 -14.557 1.00 1.00 C ATOM 1170 O VAL A 77 16.949 21.756 -15.119 1.00 1.00 O ATOM 1171 CB VAL A 77 14.562 20.311 -13.276 1.00 1.00 C ATOM 1172 CG1 VAL A 77 15.000 19.304 -14.346 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.442 19.598 -11.926 1.00 1.00 C ATOM 0 H VAL A 77 14.145 22.344 -11.936 1.00 1.00 H new ATOM 0 HA VAL A 77 16.511 21.056 -12.734 1.00 1.00 H new ATOM 0 HB VAL A 77 13.596 20.733 -13.555 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.264 18.503 -14.414 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.078 19.808 -15.309 1.00 1.00 H new ATOM 0 HG13 VAL A 77 15.969 18.885 -14.076 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.712 18.793 -12.004 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.411 19.184 -11.646 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.118 20.309 -11.166 1.00 1.00 H new ATOM 1183 N ALA A 78 14.937 22.755 -15.105 1.00 1.00 N ATOM 1184 CA ALA A 78 15.128 23.335 -16.426 1.00 1.00 C ATOM 1185 C ALA A 78 16.316 24.293 -16.420 1.00 1.00 C ATOM 1186 O ALA A 78 17.116 24.311 -17.356 1.00 1.00 O ATOM 1187 CB ALA A 78 13.864 24.086 -16.843 1.00 1.00 C ATOM 0 H ALA A 78 14.045 22.976 -14.663 1.00 1.00 H new ATOM 0 HA ALA A 78 15.328 22.533 -17.137 1.00 1.00 H new ATOM 0 HB1 ALA A 78 14.008 24.520 -17.832 1.00 1.00 H new ATOM 0 HB2 ALA A 78 13.022 23.394 -16.869 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.659 24.880 -16.125 1.00 1.00 H new ATOM 1193 N ALA A 79 16.424 25.086 -15.357 1.00 1.00 N ATOM 1194 CA ALA A 79 17.516 26.047 -15.233 1.00 1.00 C ATOM 1195 C ALA A 79 17.418 26.801 -13.910 1.00 1.00 C ATOM 1196 O ALA A 79 17.148 27.990 -13.947 1.00 1.00 O ATOM 1197 CB ALA A 79 17.469 27.045 -16.392 1.00 1.00 C ATOM 1198 OXT ALA A 79 17.614 26.179 -12.879 1.00 1.00 O ATOM 0 H ALA A 79 15.772 25.082 -14.573 1.00 1.00 H new ATOM 0 HA ALA A 79 18.459 25.501 -15.261 1.00 1.00 H new ATOM 0 HB1 ALA A 79 18.287 27.758 -16.291 1.00 1.00 H new ATOM 0 HB2 ALA A 79 17.568 26.510 -17.337 1.00 1.00 H new ATOM 0 HB3 ALA A 79 16.519 27.578 -16.375 1.00 1.00 H new TER 1204 ALA A 79