USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 547 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 24 TYR OH : rot 180:sc= 0.956 USER MOD Set 1.2: A 51 SER OG : rot 136:sc= 1.13 USER MOD Single : A 7 ASN : amide:sc= -0.0372 X(o=-0.037,f=0) USER MOD Single : A 12 THR OG1 : rot 66:sc= 0.648 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.172 F(o=-0.99,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -33:sc= -0.177 USER MOD Single : A 31 SER OG : rot 70:sc= 0.251 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -161:sc= -0.287 (180deg=-1.68) USER MOD Single : A 46 HIS : no HD1:sc= -7.91! C(o=-7.9!,f=-8.1!) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 103:sc= 0.0254 USER MOD Single : A 63 ASN : amide:sc= -0.784 K(o=-0.78,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 3.334 -2.842 -12.769 1.00 0.00 N ATOM 2 CA ASN A 7 2.581 -1.615 -13.001 1.00 0.00 C ATOM 3 C ASN A 7 1.193 -1.781 -12.401 1.00 0.00 C ATOM 4 O ASN A 7 0.449 -0.808 -12.266 1.00 0.00 O ATOM 5 CB ASN A 7 2.423 -1.350 -14.517 1.00 0.00 C ATOM 6 CG ASN A 7 1.361 -2.249 -15.170 1.00 0.00 C ATOM 7 OD1 ASN A 7 1.636 -3.382 -15.553 1.00 0.00 O ATOM 8 ND2 ASN A 7 0.161 -1.736 -15.335 1.00 0.00 N ATOM 0 HA ASN A 7 3.114 -0.781 -12.545 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.154 -0.305 -14.673 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.381 -1.509 -15.011 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -0.569 -2.283 -15.791 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -0.039 -0.791 -15.007 1.00 0.00 H new ATOM 15 N ARG A 8 0.869 -3.036 -12.070 1.00 0.00 N ATOM 16 CA ARG A 8 -0.442 -3.448 -11.584 1.00 0.00 C ATOM 17 C ARG A 8 -0.896 -2.588 -10.417 1.00 0.00 C ATOM 18 O ARG A 8 -0.246 -2.569 -9.365 1.00 0.00 O ATOM 19 CB ARG A 8 -0.423 -4.925 -11.172 1.00 0.00 C ATOM 20 CG ARG A 8 0.159 -5.845 -12.228 1.00 0.00 C ATOM 21 CD ARG A 8 -0.081 -7.305 -11.908 1.00 0.00 C ATOM 22 NE ARG A 8 -1.495 -7.675 -12.086 1.00 0.00 N ATOM 23 CZ ARG A 8 -1.962 -8.932 -12.092 1.00 0.00 C ATOM 24 NH1 ARG A 8 -1.152 -9.939 -11.837 1.00 0.00 N ATOM 25 NH2 ARG A 8 -3.240 -9.172 -12.333 1.00 0.00 N ATOM 0 H ARG A 8 1.532 -3.809 -12.136 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.153 -3.315 -12.400 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.155 -5.029 -10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.441 -5.243 -10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.283 -5.609 -13.196 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.231 -5.665 -12.314 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.542 -7.926 -12.552 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.222 -7.507 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.169 -6.920 -12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.168 -9.763 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.509 -10.894 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.879 -8.398 -12.516 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.587 -10.131 -12.336 1.00 0.00 H new ATOM 39 N PRO A 9 -1.994 -1.836 -10.602 1.00 0.00 N ATOM 40 CA PRO A 9 -2.521 -0.960 -9.587 1.00 0.00 C ATOM 41 C PRO A 9 -3.351 -1.708 -8.557 1.00 0.00 C ATOM 42 O PRO A 9 -4.496 -2.124 -8.817 1.00 0.00 O ATOM 43 CB PRO A 9 -3.393 0.050 -10.363 1.00 0.00 C ATOM 44 CG PRO A 9 -3.313 -0.360 -11.802 1.00 0.00 C ATOM 45 CD PRO A 9 -2.804 -1.771 -11.821 1.00 0.00 C ATOM 0 HA PRO A 9 -1.722 -0.482 -9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.423 0.030 -10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.028 1.068 -10.226 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.292 -0.295 -12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.645 0.300 -12.356 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.618 -2.496 -11.806 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.211 -1.976 -12.713 1.00 0.00 H new ATOM 53 N GLY A 10 -2.746 -1.955 -7.450 1.00 0.00 N ATOM 54 CA GLY A 10 -3.379 -2.538 -6.352 1.00 0.00 C ATOM 55 C GLY A 10 -2.459 -3.483 -5.649 1.00 0.00 C ATOM 56 O GLY A 10 -1.378 -3.793 -6.156 1.00 0.00 O ATOM 0 H GLY A 10 -1.761 -1.744 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.707 -1.761 -5.661 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.272 -3.070 -6.681 1.00 0.00 H new ATOM 60 N ILE A 11 -2.865 -3.912 -4.466 1.00 0.00 N ATOM 61 CA ILE A 11 -2.102 -4.857 -3.674 1.00 0.00 C ATOM 62 C ILE A 11 -1.929 -6.164 -4.448 1.00 0.00 C ATOM 63 O ILE A 11 -2.869 -6.960 -4.565 1.00 0.00 O ATOM 64 CB ILE A 11 -2.789 -5.172 -2.313 1.00 0.00 C ATOM 65 CG1 ILE A 11 -3.144 -3.872 -1.554 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.878 -6.055 -1.459 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.832 -4.102 -0.221 1.00 0.00 C ATOM 0 H ILE A 11 -3.736 -3.613 -4.028 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.134 -4.398 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.717 -5.707 -2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.231 -3.301 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.790 -3.261 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.367 -6.270 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.680 -6.989 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.938 -5.536 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.047 -3.142 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.764 -4.645 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.180 -4.685 0.429 1.00 0.00 H new ATOM 79 N THR A 12 -0.776 -6.325 -5.014 1.00 0.00 N ATOM 80 CA THR A 12 -0.426 -7.505 -5.741 1.00 0.00 C ATOM 81 C THR A 12 0.700 -8.182 -4.952 1.00 0.00 C ATOM 82 O THR A 12 1.509 -7.490 -4.341 1.00 0.00 O ATOM 83 CB THR A 12 0.075 -7.090 -7.148 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.860 -6.150 -7.723 1.00 0.00 O ATOM 85 CG2 THR A 12 0.191 -8.296 -8.072 1.00 0.00 C ATOM 0 H THR A 12 -0.035 -5.625 -4.984 1.00 0.00 H new ATOM 0 HA THR A 12 -1.271 -8.182 -5.861 1.00 0.00 H new ATOM 0 HB THR A 12 1.062 -6.639 -7.041 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.851 -5.320 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.545 -7.972 -9.051 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.897 -9.011 -7.650 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.785 -8.769 -8.177 1.00 0.00 H new ATOM 93 N PHE A 13 0.750 -9.498 -4.932 1.00 0.00 N ATOM 94 CA PHE A 13 1.780 -10.229 -4.165 1.00 0.00 C ATOM 95 C PHE A 13 3.163 -10.221 -4.832 1.00 0.00 C ATOM 96 O PHE A 13 3.876 -11.235 -4.837 1.00 0.00 O ATOM 97 CB PHE A 13 1.331 -11.656 -3.834 1.00 0.00 C ATOM 98 CG PHE A 13 0.367 -11.736 -2.688 1.00 0.00 C ATOM 99 CD1 PHE A 13 -0.972 -11.452 -2.857 1.00 0.00 C ATOM 100 CD2 PHE A 13 0.817 -12.094 -1.425 1.00 0.00 C ATOM 101 CE1 PHE A 13 -1.846 -11.519 -1.791 1.00 0.00 C ATOM 102 CE2 PHE A 13 -0.050 -12.163 -0.359 1.00 0.00 C ATOM 103 CZ PHE A 13 -1.384 -11.877 -0.541 1.00 0.00 C ATOM 0 H PHE A 13 0.096 -10.098 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 13 1.893 -9.682 -3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.868 -12.096 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.209 -12.258 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.340 -11.174 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.862 -12.322 -1.277 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.892 -11.291 -1.935 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.315 -12.441 0.619 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.068 -11.933 0.293 1.00 0.00 H new ATOM 113 N GLU A 14 3.561 -9.056 -5.295 1.00 0.00 N ATOM 114 CA GLU A 14 4.830 -8.849 -5.935 1.00 0.00 C ATOM 115 C GLU A 14 5.501 -7.632 -5.302 1.00 0.00 C ATOM 116 O GLU A 14 4.896 -6.545 -5.203 1.00 0.00 O ATOM 117 CB GLU A 14 4.646 -8.561 -7.419 1.00 0.00 C ATOM 118 CG GLU A 14 3.862 -9.604 -8.219 1.00 0.00 C ATOM 119 CD GLU A 14 4.545 -10.938 -8.312 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.603 -11.032 -8.963 1.00 0.00 O ATOM 121 OE2 GLU A 14 4.013 -11.940 -7.803 1.00 0.00 O ATOM 0 H GLU A 14 2.994 -8.211 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 14 5.434 -9.748 -5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.141 -7.601 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.632 -8.453 -7.871 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.883 -9.739 -7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.692 -9.223 -9.226 1.00 0.00 H new ATOM 128 N ILE A 15 6.722 -7.789 -4.897 1.00 0.00 N ATOM 129 CA ILE A 15 7.485 -6.704 -4.326 1.00 0.00 C ATOM 130 C ILE A 15 7.870 -5.770 -5.463 1.00 0.00 C ATOM 131 O ILE A 15 8.615 -6.151 -6.385 1.00 0.00 O ATOM 132 CB ILE A 15 8.778 -7.209 -3.595 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.469 -7.999 -2.296 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.751 -6.067 -3.303 1.00 0.00 C ATOM 135 CD1 ILE A 15 7.878 -9.381 -2.498 1.00 0.00 C ATOM 0 H ILE A 15 7.227 -8.674 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 15 6.878 -6.196 -3.577 1.00 0.00 H new ATOM 0 HB ILE A 15 9.256 -7.900 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.391 -8.097 -1.723 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.778 -7.412 -1.690 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.632 -6.460 -2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.051 -5.596 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.265 -5.329 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.700 -9.846 -1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.935 -9.298 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.573 -9.994 -3.072 1.00 0.00 H new ATOM 147 N GLY A 16 7.349 -4.588 -5.414 1.00 0.00 N ATOM 148 CA GLY A 16 7.568 -3.638 -6.457 1.00 0.00 C ATOM 149 C GLY A 16 6.273 -3.266 -7.109 1.00 0.00 C ATOM 150 O GLY A 16 6.216 -2.303 -7.884 1.00 0.00 O ATOM 0 H GLY A 16 6.760 -4.253 -4.651 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.046 -2.747 -6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.249 -4.055 -7.199 1.00 0.00 H new ATOM 154 N ALA A 17 5.221 -4.031 -6.814 1.00 0.00 N ATOM 155 CA ALA A 17 3.907 -3.718 -7.333 1.00 0.00 C ATOM 156 C ALA A 17 3.391 -2.473 -6.643 1.00 0.00 C ATOM 157 O ALA A 17 3.887 -2.096 -5.561 1.00 0.00 O ATOM 158 CB ALA A 17 2.947 -4.881 -7.137 1.00 0.00 C ATOM 0 H ALA A 17 5.261 -4.862 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 17 3.980 -3.537 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.968 -4.616 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.327 -5.759 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.857 -5.103 -6.074 1.00 0.00 H new ATOM 164 N ARG A 18 2.423 -1.837 -7.225 1.00 0.00 N ATOM 165 CA ARG A 18 1.934 -0.616 -6.676 1.00 0.00 C ATOM 166 C ARG A 18 0.539 -0.749 -6.178 1.00 0.00 C ATOM 167 O ARG A 18 -0.393 -0.873 -6.945 1.00 0.00 O ATOM 168 CB ARG A 18 2.102 0.562 -7.635 1.00 0.00 C ATOM 169 CG ARG A 18 1.580 0.333 -9.047 1.00 0.00 C ATOM 170 CD ARG A 18 1.848 1.541 -9.915 1.00 0.00 C ATOM 171 NE ARG A 18 3.273 1.891 -9.939 1.00 0.00 N ATOM 172 CZ ARG A 18 3.774 3.090 -10.263 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.973 4.072 -10.704 1.00 0.00 N ATOM 174 NH2 ARG A 18 5.073 3.303 -10.171 1.00 0.00 N ATOM 0 H ARG A 18 1.958 -2.144 -8.079 1.00 0.00 H new ATOM 0 HA ARG A 18 2.555 -0.392 -5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.592 1.428 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.161 0.813 -7.693 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.058 -0.546 -9.479 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.509 0.131 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.506 1.342 -10.931 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.272 2.389 -9.545 1.00 0.00 H new ATOM 0 HE ARG A 18 3.938 1.159 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.970 3.910 -10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.367 4.981 -10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.691 2.556 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.459 4.215 -10.417 1.00 0.00 H new ATOM 188 N LEU A 19 0.408 -0.713 -4.890 1.00 0.00 N ATOM 189 CA LEU A 19 -0.892 -0.857 -4.260 1.00 0.00 C ATOM 190 C LEU A 19 -1.581 0.489 -4.181 1.00 0.00 C ATOM 191 O LEU A 19 -0.930 1.521 -4.357 1.00 0.00 O ATOM 192 CB LEU A 19 -0.837 -1.600 -2.872 1.00 0.00 C ATOM 193 CG LEU A 19 -0.127 -0.971 -1.630 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.317 -0.634 -1.872 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.879 0.217 -1.076 1.00 0.00 C ATOM 0 H LEU A 19 1.183 -0.585 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.493 -1.511 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.868 -1.798 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.365 -2.566 -3.050 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.139 -1.754 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.746 -0.202 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.863 -1.540 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.391 0.084 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.344 0.617 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.959 0.987 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.878 -0.095 -0.770 1.00 0.00 H new ATOM 207 N GLU A 20 -2.870 0.511 -3.914 1.00 0.00 N ATOM 208 CA GLU A 20 -3.539 1.780 -3.861 1.00 0.00 C ATOM 209 C GLU A 20 -3.807 2.164 -2.433 1.00 0.00 C ATOM 210 O GLU A 20 -4.431 1.420 -1.698 1.00 0.00 O ATOM 211 CB GLU A 20 -4.814 1.760 -4.687 1.00 0.00 C ATOM 212 CG GLU A 20 -4.554 1.503 -6.160 1.00 0.00 C ATOM 213 CD GLU A 20 -5.787 1.596 -7.013 1.00 0.00 C ATOM 214 OE1 GLU A 20 -6.574 0.633 -7.057 1.00 0.00 O ATOM 215 OE2 GLU A 20 -5.973 2.632 -7.696 1.00 0.00 O ATOM 0 H GLU A 20 -3.453 -0.307 -3.737 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.888 2.537 -4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.481 0.989 -4.300 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.330 2.714 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.817 2.221 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.116 0.512 -6.276 1.00 0.00 H new ATOM 222 N ALA A 21 -3.280 3.270 -2.018 1.00 0.00 N ATOM 223 CA ALA A 21 -3.498 3.738 -0.676 1.00 0.00 C ATOM 224 C ALA A 21 -4.311 4.992 -0.690 1.00 0.00 C ATOM 225 O ALA A 21 -4.121 5.814 -1.565 1.00 0.00 O ATOM 226 CB ALA A 21 -2.180 3.992 -0.008 1.00 0.00 C ATOM 0 H ALA A 21 -2.690 3.875 -2.590 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.042 2.974 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.350 4.347 1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.603 3.068 0.022 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.628 4.747 -0.568 1.00 0.00 H new ATOM 232 N LEU A 22 -5.208 5.143 0.274 1.00 0.00 N ATOM 233 CA LEU A 22 -6.010 6.326 0.372 1.00 0.00 C ATOM 234 C LEU A 22 -5.409 7.091 1.437 1.00 0.00 C ATOM 235 O LEU A 22 -5.096 6.514 2.466 1.00 0.00 O ATOM 236 CB LEU A 22 -7.478 5.988 0.735 1.00 0.00 C ATOM 237 CG LEU A 22 -8.579 7.090 0.755 1.00 0.00 C ATOM 238 CD1 LEU A 22 -8.407 8.138 1.827 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.745 7.731 -0.588 1.00 0.00 C ATOM 0 H LEU A 22 -5.390 4.448 0.998 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.040 6.864 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.810 5.220 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.464 5.534 1.726 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.493 6.555 1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.220 8.861 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.422 7.662 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.454 8.649 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.522 8.494 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.804 8.191 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.030 6.975 -1.319 1.00 0.00 H new ATOM 251 N ASP A 23 -5.142 8.338 1.161 1.00 0.00 N ATOM 252 CA ASP A 23 -4.704 9.301 2.194 1.00 0.00 C ATOM 253 C ASP A 23 -4.188 10.478 1.490 1.00 0.00 C ATOM 254 O ASP A 23 -4.395 10.580 0.227 1.00 0.00 O ATOM 255 CB ASP A 23 -3.578 8.746 3.084 1.00 0.00 C ATOM 256 CG ASP A 23 -3.576 9.241 4.536 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.283 10.432 4.794 1.00 0.00 O ATOM 258 OD2 ASP A 23 -3.867 8.434 5.446 1.00 0.00 O ATOM 0 H ASP A 23 -5.214 8.737 0.225 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.552 9.526 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.647 7.658 3.090 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.621 9.002 2.630 1.00 0.00 H new ATOM 263 N TYR A 24 -3.582 11.365 2.295 1.00 0.00 N ATOM 264 CA TYR A 24 -2.881 12.602 1.982 1.00 0.00 C ATOM 265 C TYR A 24 -3.725 13.572 1.161 1.00 0.00 C ATOM 266 O TYR A 24 -4.022 14.685 1.583 1.00 0.00 O ATOM 267 CB TYR A 24 -1.536 12.286 1.322 1.00 0.00 C ATOM 268 CG TYR A 24 -0.487 13.341 1.563 1.00 0.00 C ATOM 269 CD1 TYR A 24 0.266 13.321 2.729 1.00 0.00 C ATOM 270 CD2 TYR A 24 -0.251 14.349 0.651 1.00 0.00 C ATOM 271 CE1 TYR A 24 1.221 14.284 2.978 1.00 0.00 C ATOM 272 CE2 TYR A 24 0.702 15.313 0.887 1.00 0.00 C ATOM 273 CZ TYR A 24 1.435 15.279 2.052 1.00 0.00 C ATOM 274 OH TYR A 24 2.378 16.252 2.293 1.00 0.00 O ATOM 0 H TYR A 24 -3.577 11.203 3.302 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.687 13.124 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.172 11.330 1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.685 12.171 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 24 0.101 12.538 3.454 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.824 14.382 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.796 14.258 3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.874 16.094 0.161 1.00 0.00 H new ATOM 0 HH TYR A 24 2.403 16.877 1.539 1.00 0.00 H new ATOM 284 N LEU A 25 -4.106 13.132 0.022 1.00 0.00 N ATOM 285 CA LEU A 25 -4.907 13.877 -0.890 1.00 0.00 C ATOM 286 C LEU A 25 -6.295 13.279 -0.849 1.00 0.00 C ATOM 287 O LEU A 25 -7.203 13.767 -1.518 1.00 0.00 O ATOM 288 CB LEU A 25 -4.386 13.717 -2.351 1.00 0.00 C ATOM 289 CG LEU A 25 -2.869 13.781 -2.657 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.245 15.029 -2.097 1.00 0.00 C ATOM 291 CD2 LEU A 25 -2.123 12.512 -2.204 1.00 0.00 C ATOM 0 H LEU A 25 -3.861 12.203 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.885 14.931 -0.612 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.748 12.757 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.868 14.489 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.769 13.825 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.180 15.040 -2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.722 15.904 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.379 15.049 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.064 12.608 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.243 12.384 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.533 11.645 -2.721 1.00 0.00 H new ATOM 303 N GLN A 26 -6.435 12.176 -0.076 1.00 0.00 N ATOM 304 CA GLN A 26 -7.629 11.384 -0.062 1.00 0.00 C ATOM 305 C GLN A 26 -7.810 10.829 -1.392 1.00 0.00 C ATOM 306 O GLN A 26 -8.883 10.892 -2.010 1.00 0.00 O ATOM 307 CB GLN A 26 -8.853 12.099 0.455 1.00 0.00 C ATOM 308 CG GLN A 26 -8.969 12.048 1.949 1.00 0.00 C ATOM 309 CD GLN A 26 -7.762 12.598 2.658 1.00 0.00 C ATOM 310 OE1 GLN A 26 -6.841 11.730 3.003 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 -7.673 13.796 2.924 1.00 0.00 N flip ATOM 0 H GLN A 26 -5.705 11.832 0.548 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.501 10.581 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.823 13.140 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.743 11.653 0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.851 12.610 2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.125 11.015 2.259 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.412 14.438 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.860 14.147 3.431 1.00 0.00 H new ATOM 320 N LYS A 27 -6.731 10.298 -1.857 1.00 0.00 N ATOM 321 CA LYS A 27 -6.716 9.669 -3.107 1.00 0.00 C ATOM 322 C LYS A 27 -6.275 8.321 -2.876 1.00 0.00 C ATOM 323 O LYS A 27 -5.639 8.073 -1.837 1.00 0.00 O ATOM 324 CB LYS A 27 -5.780 10.342 -4.099 1.00 0.00 C ATOM 325 CG LYS A 27 -6.134 11.766 -4.389 1.00 0.00 C ATOM 326 CD LYS A 27 -5.439 12.271 -5.642 1.00 0.00 C ATOM 327 CE LYS A 27 -5.924 11.527 -6.878 1.00 0.00 C ATOM 328 NZ LYS A 27 -5.263 11.999 -8.101 1.00 0.00 N ATOM 0 H LYS A 27 -5.836 10.295 -1.368 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.712 9.719 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.763 10.302 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.787 9.778 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.214 11.856 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.855 12.391 -3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.626 13.338 -5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.361 12.146 -5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.738 10.460 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.002 11.653 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.623 11.466 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.461 13.011 -8.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.236 11.855 -8.018 1.00 0.00 H new ATOM 342 N TRP A 28 -6.648 7.459 -3.760 1.00 0.00 N ATOM 343 CA TRP A 28 -6.202 6.124 -3.770 1.00 0.00 C ATOM 344 C TRP A 28 -5.073 6.098 -4.771 1.00 0.00 C ATOM 345 O TRP A 28 -5.286 5.941 -5.983 1.00 0.00 O ATOM 346 CB TRP A 28 -7.316 5.178 -4.189 1.00 0.00 C ATOM 347 CG TRP A 28 -8.505 5.083 -3.253 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.685 5.758 -3.332 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.613 4.232 -2.119 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.548 5.313 -2.336 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.898 4.375 -1.580 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.753 3.359 -1.531 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -10.322 3.633 -0.462 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -8.154 2.642 -0.445 1.00 0.00 C ATOM 355 CH2 TRP A 28 -9.415 2.759 0.085 1.00 0.00 C ATOM 0 H TRP A 28 -7.294 7.681 -4.518 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.882 5.796 -2.781 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.677 5.488 -5.170 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.892 4.181 -4.306 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.916 6.523 -4.058 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.506 5.633 -2.193 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.755 3.234 -1.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.315 3.746 -0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.456 1.958 0.015 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.696 2.159 0.938 1.00 0.00 H new ATOM 366 N TYR A 29 -3.910 6.358 -4.280 1.00 0.00 N ATOM 367 CA TYR A 29 -2.741 6.575 -5.094 1.00 0.00 C ATOM 368 C TYR A 29 -1.794 5.379 -5.089 1.00 0.00 C ATOM 369 O TYR A 29 -1.674 4.667 -4.070 1.00 0.00 O ATOM 370 CB TYR A 29 -2.046 7.883 -4.640 1.00 0.00 C ATOM 371 CG TYR A 29 -1.783 7.969 -3.153 1.00 0.00 C ATOM 372 CD1 TYR A 29 -0.651 7.420 -2.561 1.00 0.00 C ATOM 373 CD2 TYR A 29 -2.689 8.599 -2.342 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.451 7.514 -1.200 1.00 0.00 C ATOM 375 CE2 TYR A 29 -2.504 8.702 -1.002 1.00 0.00 C ATOM 376 CZ TYR A 29 -1.381 8.157 -0.424 1.00 0.00 C ATOM 377 OH TYR A 29 -1.179 8.268 0.929 1.00 0.00 O ATOM 0 H TYR A 29 -3.731 6.429 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.052 6.684 -6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.098 7.979 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.664 8.730 -4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.080 6.914 -3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.578 9.027 -2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.431 7.085 -0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.236 9.210 -0.391 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.703 7.476 1.255 1.00 0.00 H new ATOM 387 N PRO A 30 -1.136 5.124 -6.243 1.00 0.00 N ATOM 388 CA PRO A 30 -0.191 4.027 -6.396 1.00 0.00 C ATOM 389 C PRO A 30 1.032 4.188 -5.498 1.00 0.00 C ATOM 390 O PRO A 30 1.883 5.066 -5.698 1.00 0.00 O ATOM 391 CB PRO A 30 0.211 4.073 -7.874 1.00 0.00 C ATOM 392 CG PRO A 30 -0.125 5.449 -8.330 1.00 0.00 C ATOM 393 CD PRO A 30 -1.289 5.892 -7.496 1.00 0.00 C ATOM 0 HA PRO A 30 -0.635 3.075 -6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.274 3.866 -7.999 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.330 3.324 -8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.724 6.120 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.380 5.457 -9.390 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.264 6.966 -7.313 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.238 5.674 -7.986 1.00 0.00 H new ATOM 401 N SER A 31 1.072 3.370 -4.513 1.00 0.00 N ATOM 402 CA SER A 31 2.125 3.327 -3.557 1.00 0.00 C ATOM 403 C SER A 31 2.869 2.021 -3.799 1.00 0.00 C ATOM 404 O SER A 31 2.289 1.109 -4.318 1.00 0.00 O ATOM 405 CB SER A 31 1.469 3.357 -2.196 1.00 0.00 C ATOM 406 OG SER A 31 0.612 4.483 -2.100 1.00 0.00 O ATOM 0 H SER A 31 0.341 2.680 -4.339 1.00 0.00 H new ATOM 0 HA SER A 31 2.829 4.156 -3.629 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.900 2.441 -2.036 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.230 3.400 -1.416 1.00 0.00 H new ATOM 0 HG SER A 31 -0.169 4.350 -2.677 1.00 0.00 H new ATOM 412 N ARG A 32 4.117 1.912 -3.458 1.00 0.00 N ATOM 413 CA ARG A 32 4.830 0.683 -3.823 1.00 0.00 C ATOM 414 C ARG A 32 4.876 -0.305 -2.659 1.00 0.00 C ATOM 415 O ARG A 32 4.909 0.093 -1.489 1.00 0.00 O ATOM 416 CB ARG A 32 6.265 0.959 -4.264 1.00 0.00 C ATOM 417 CG ARG A 32 6.478 2.008 -5.334 1.00 0.00 C ATOM 418 CD ARG A 32 7.966 2.094 -5.690 1.00 0.00 C ATOM 419 NE ARG A 32 8.291 3.211 -6.592 1.00 0.00 N ATOM 420 CZ ARG A 32 9.472 3.863 -6.618 1.00 0.00 C ATOM 421 NH1 ARG A 32 10.515 3.430 -5.908 1.00 0.00 N ATOM 422 NH2 ARG A 32 9.631 4.904 -7.397 1.00 0.00 N ATOM 0 H ARG A 32 4.660 2.611 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 32 4.272 0.254 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.836 1.255 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.693 0.022 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.897 1.758 -6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.123 2.976 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.545 2.198 -4.773 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.274 1.159 -6.157 1.00 0.00 H new ATOM 0 HE ARG A 32 7.570 3.515 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.428 2.592 -5.333 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.400 3.937 -5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.861 5.223 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.525 5.396 -7.415 1.00 0.00 H new ATOM 436 N ILE A 33 4.891 -1.578 -2.993 1.00 0.00 N ATOM 437 CA ILE A 33 5.026 -2.653 -2.023 1.00 0.00 C ATOM 438 C ILE A 33 6.499 -2.997 -1.847 1.00 0.00 C ATOM 439 O ILE A 33 7.168 -3.410 -2.798 1.00 0.00 O ATOM 440 CB ILE A 33 4.246 -3.917 -2.460 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.779 -3.554 -2.691 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.361 -4.990 -1.386 1.00 0.00 C ATOM 443 CD1 ILE A 33 1.905 -4.687 -3.155 1.00 0.00 C ATOM 0 H ILE A 33 4.809 -1.903 -3.956 1.00 0.00 H new ATOM 0 HA ILE A 33 4.606 -2.309 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 33 4.668 -4.304 -3.388 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.369 -3.157 -1.763 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.731 -2.753 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.811 -5.878 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.410 -5.247 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.945 -4.615 -0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.885 -4.328 -3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.282 -5.073 -4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.914 -5.482 -2.410 1.00 0.00 H new ATOM 455 N GLU A 34 7.002 -2.795 -0.650 1.00 0.00 N ATOM 456 CA GLU A 34 8.401 -3.046 -0.351 1.00 0.00 C ATOM 457 C GLU A 34 8.598 -4.455 0.188 1.00 0.00 C ATOM 458 O GLU A 34 9.473 -5.183 -0.250 1.00 0.00 O ATOM 459 CB GLU A 34 8.917 -2.023 0.677 1.00 0.00 C ATOM 460 CG GLU A 34 10.414 -2.085 0.937 1.00 0.00 C ATOM 461 CD GLU A 34 11.246 -1.728 -0.288 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.673 -1.345 -1.337 1.00 0.00 O ATOM 463 OE2 GLU A 34 12.487 -1.782 -0.209 1.00 0.00 O ATOM 0 H GLU A 34 6.459 -2.454 0.143 1.00 0.00 H new ATOM 0 HA GLU A 34 8.967 -2.945 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.663 -1.021 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.391 -2.178 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.664 -1.404 1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.678 -3.089 1.269 1.00 0.00 H new ATOM 470 N LYS A 35 7.777 -4.829 1.123 1.00 0.00 N ATOM 471 CA LYS A 35 7.889 -6.109 1.764 1.00 0.00 C ATOM 472 C LYS A 35 6.492 -6.633 1.962 1.00 0.00 C ATOM 473 O LYS A 35 5.579 -5.846 2.225 1.00 0.00 O ATOM 474 CB LYS A 35 8.583 -5.940 3.123 1.00 0.00 C ATOM 475 CG LYS A 35 8.985 -7.242 3.798 1.00 0.00 C ATOM 476 CD LYS A 35 10.083 -7.931 3.026 1.00 0.00 C ATOM 477 CE LYS A 35 10.485 -9.234 3.670 1.00 0.00 C ATOM 478 NZ LYS A 35 11.619 -9.865 2.969 1.00 0.00 N ATOM 0 H LYS A 35 7.007 -4.254 1.465 1.00 0.00 H new ATOM 0 HA LYS A 35 8.476 -6.801 1.160 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.474 -5.327 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.918 -5.391 3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.321 -7.040 4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.119 -7.900 3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.748 -8.118 2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.950 -7.274 2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.755 -9.057 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.635 -9.916 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.866 -10.758 3.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.353 -10.057 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.439 -9.225 2.989 1.00 0.00 H new ATOM 492 N ILE A 36 6.306 -7.911 1.809 1.00 0.00 N ATOM 493 CA ILE A 36 5.000 -8.504 1.949 1.00 0.00 C ATOM 494 C ILE A 36 4.990 -9.471 3.115 1.00 0.00 C ATOM 495 O ILE A 36 5.874 -10.335 3.226 1.00 0.00 O ATOM 496 CB ILE A 36 4.599 -9.259 0.651 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.650 -8.304 -0.539 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.208 -9.874 0.783 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.258 -8.916 -1.853 1.00 0.00 C ATOM 0 H ILE A 36 7.049 -8.573 1.585 1.00 0.00 H new ATOM 0 HA ILE A 36 4.281 -7.705 2.131 1.00 0.00 H new ATOM 0 HB ILE A 36 5.309 -10.070 0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.992 -7.458 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.662 -7.907 -0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.952 -10.396 -0.139 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.199 -10.579 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.478 -9.086 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.324 -8.164 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.930 -9.743 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.235 -9.287 -1.791 1.00 0.00 H new ATOM 511 N ASP A 37 4.036 -9.323 3.991 1.00 0.00 N ATOM 512 CA ASP A 37 3.880 -10.245 5.075 1.00 0.00 C ATOM 513 C ASP A 37 2.489 -10.807 5.011 1.00 0.00 C ATOM 514 O ASP A 37 1.530 -10.091 5.093 1.00 0.00 O ATOM 515 CB ASP A 37 4.105 -9.589 6.435 1.00 0.00 C ATOM 516 CG ASP A 37 4.244 -10.629 7.504 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.232 -11.179 7.949 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.386 -10.929 7.900 1.00 0.00 O ATOM 0 H ASP A 37 3.352 -8.567 3.973 1.00 0.00 H new ATOM 0 HA ASP A 37 4.631 -11.029 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.002 -8.970 6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.270 -8.928 6.669 1.00 0.00 H new ATOM 523 N TYR A 38 2.389 -12.066 4.873 1.00 0.00 N ATOM 524 CA TYR A 38 1.119 -12.729 4.733 1.00 0.00 C ATOM 525 C TYR A 38 0.839 -13.603 5.919 1.00 0.00 C ATOM 526 O TYR A 38 -0.137 -14.363 5.944 1.00 0.00 O ATOM 527 CB TYR A 38 1.060 -13.528 3.436 1.00 0.00 C ATOM 528 CG TYR A 38 2.338 -14.259 3.081 1.00 0.00 C ATOM 529 CD1 TYR A 38 2.687 -15.448 3.704 1.00 0.00 C ATOM 530 CD2 TYR A 38 3.194 -13.748 2.114 1.00 0.00 C ATOM 531 CE1 TYR A 38 3.853 -16.104 3.379 1.00 0.00 C ATOM 532 CE2 TYR A 38 4.359 -14.402 1.783 1.00 0.00 C ATOM 533 CZ TYR A 38 4.684 -15.578 2.420 1.00 0.00 C ATOM 534 OH TYR A 38 5.850 -16.231 2.094 1.00 0.00 O ATOM 0 H TYR A 38 3.191 -12.696 4.851 1.00 0.00 H new ATOM 0 HA TYR A 38 0.343 -11.965 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.251 -14.255 3.510 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.807 -12.851 2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.034 -15.866 4.456 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.942 -12.824 1.615 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.113 -17.027 3.875 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.015 -13.995 1.028 1.00 0.00 H new ATOM 0 HH TYR A 38 6.323 -15.729 1.398 1.00 0.00 H new ATOM 544 N GLU A 39 1.677 -13.487 6.902 1.00 0.00 N ATOM 545 CA GLU A 39 1.534 -14.228 8.113 1.00 0.00 C ATOM 546 C GLU A 39 0.708 -13.380 9.059 1.00 0.00 C ATOM 547 O GLU A 39 -0.268 -13.834 9.641 1.00 0.00 O ATOM 548 CB GLU A 39 2.911 -14.508 8.670 1.00 0.00 C ATOM 549 CG GLU A 39 2.946 -15.331 9.937 1.00 0.00 C ATOM 550 CD GLU A 39 4.351 -15.531 10.432 1.00 0.00 C ATOM 551 OE1 GLU A 39 5.067 -16.391 9.881 1.00 0.00 O ATOM 552 OE2 GLU A 39 4.776 -14.817 11.378 1.00 0.00 O ATOM 0 H GLU A 39 2.488 -12.868 6.884 1.00 0.00 H new ATOM 0 HA GLU A 39 1.035 -15.185 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.495 -15.023 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.406 -13.556 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.355 -14.837 10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.483 -16.301 9.754 1.00 0.00 H new ATOM 559 N GLU A 40 1.100 -12.134 9.169 1.00 0.00 N ATOM 560 CA GLU A 40 0.362 -11.152 9.919 1.00 0.00 C ATOM 561 C GLU A 40 -0.665 -10.570 8.975 1.00 0.00 C ATOM 562 O GLU A 40 -1.774 -10.179 9.371 1.00 0.00 O ATOM 563 CB GLU A 40 1.293 -10.027 10.323 1.00 0.00 C ATOM 564 CG GLU A 40 0.722 -9.074 11.336 1.00 0.00 C ATOM 565 CD GLU A 40 0.653 -9.681 12.709 1.00 0.00 C ATOM 566 OE1 GLU A 40 1.637 -9.572 13.458 1.00 0.00 O ATOM 567 OE2 GLU A 40 -0.377 -10.290 13.065 1.00 0.00 O ATOM 0 H GLU A 40 1.949 -11.771 8.735 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.089 -11.600 10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.209 -10.459 10.726 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.571 -9.465 9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.333 -8.172 11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.277 -8.770 11.024 1.00 0.00 H new ATOM 574 N GLY A 41 -0.257 -10.502 7.715 1.00 0.00 N ATOM 575 CA GLY A 41 -1.076 -9.969 6.677 1.00 0.00 C ATOM 576 C GLY A 41 -0.950 -8.475 6.608 1.00 0.00 C ATOM 577 O GLY A 41 -1.893 -7.747 6.867 1.00 0.00 O ATOM 0 H GLY A 41 0.659 -10.821 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.789 -10.407 5.721 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.116 -10.242 6.853 1.00 0.00 H new ATOM 581 N LYS A 42 0.233 -8.030 6.269 1.00 0.00 N ATOM 582 CA LYS A 42 0.572 -6.630 6.187 1.00 0.00 C ATOM 583 C LYS A 42 1.491 -6.472 4.999 1.00 0.00 C ATOM 584 O LYS A 42 2.142 -7.430 4.595 1.00 0.00 O ATOM 585 CB LYS A 42 1.426 -6.188 7.391 1.00 0.00 C ATOM 586 CG LYS A 42 0.965 -6.612 8.768 1.00 0.00 C ATOM 587 CD LYS A 42 1.947 -6.126 9.840 1.00 0.00 C ATOM 588 CE LYS A 42 3.360 -6.677 9.606 1.00 0.00 C ATOM 589 NZ LYS A 42 4.307 -6.317 10.689 1.00 0.00 N ATOM 0 H LYS A 42 1.010 -8.648 6.036 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.352 -6.054 6.136 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.437 -6.567 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.489 -5.100 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.027 -6.207 8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.880 -7.698 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.976 -5.036 9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.594 -6.435 10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.311 -7.762 9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.740 -6.298 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.244 -6.716 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.379 -5.282 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.963 -6.701 11.592 1.00 0.00 H new ATOM 603 N MET A 43 1.568 -5.321 4.449 1.00 0.00 N ATOM 604 CA MET A 43 2.578 -5.077 3.477 1.00 0.00 C ATOM 605 C MET A 43 3.232 -3.766 3.808 1.00 0.00 C ATOM 606 O MET A 43 2.615 -2.892 4.472 1.00 0.00 O ATOM 607 CB MET A 43 2.067 -5.117 2.006 1.00 0.00 C ATOM 608 CG MET A 43 1.455 -3.824 1.452 1.00 0.00 C ATOM 609 SD MET A 43 0.029 -3.230 2.365 1.00 0.00 S ATOM 610 CE MET A 43 -1.082 -4.619 2.201 1.00 0.00 C ATOM 0 H MET A 43 0.952 -4.533 4.649 1.00 0.00 H new ATOM 0 HA MET A 43 3.303 -5.890 3.526 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.901 -5.401 1.364 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.321 -5.907 1.927 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.219 -3.047 1.449 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.164 -3.989 0.415 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.102 -4.295 2.408 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.025 -5.013 1.186 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.798 -5.398 2.909 1.00 0.00 H new ATOM 620 N LEU A 44 4.476 -3.657 3.444 1.00 0.00 N ATOM 621 CA LEU A 44 5.207 -2.454 3.632 1.00 0.00 C ATOM 622 C LEU A 44 4.881 -1.592 2.454 1.00 0.00 C ATOM 623 O LEU A 44 5.359 -1.838 1.331 1.00 0.00 O ATOM 624 CB LEU A 44 6.723 -2.741 3.702 1.00 0.00 C ATOM 625 CG LEU A 44 7.655 -1.635 4.263 1.00 0.00 C ATOM 626 CD1 LEU A 44 9.072 -2.143 4.366 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.622 -0.348 3.450 1.00 0.00 C ATOM 0 H LEU A 44 5.009 -4.409 3.006 1.00 0.00 H new ATOM 0 HA LEU A 44 4.940 -1.965 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.865 -3.635 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.063 -2.983 2.695 1.00 0.00 H new ATOM 0 HG LEU A 44 7.275 -1.390 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.713 -1.355 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.102 -3.004 5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.426 -2.437 3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.296 0.382 3.897 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.938 -0.555 2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.608 0.051 3.442 1.00 0.00 H new ATOM 639 N VAL A 45 4.058 -0.652 2.678 1.00 0.00 N ATOM 640 CA VAL A 45 3.650 0.243 1.675 1.00 0.00 C ATOM 641 C VAL A 45 4.464 1.513 1.753 1.00 0.00 C ATOM 642 O VAL A 45 4.520 2.178 2.789 1.00 0.00 O ATOM 643 CB VAL A 45 2.106 0.532 1.729 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.632 0.843 3.135 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.736 1.681 0.812 1.00 0.00 C ATOM 0 H VAL A 45 3.636 -0.477 3.590 1.00 0.00 H new ATOM 0 HA VAL A 45 3.835 -0.225 0.708 1.00 0.00 H new ATOM 0 HB VAL A 45 1.609 -0.378 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.559 1.036 3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.841 -0.006 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.155 1.723 3.509 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.662 1.860 0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.271 2.579 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.009 1.431 -0.213 1.00 0.00 H new ATOM 655 N HIS A 46 5.161 1.796 0.694 1.00 0.00 N ATOM 656 CA HIS A 46 5.829 3.045 0.589 1.00 0.00 C ATOM 657 C HIS A 46 5.067 3.946 -0.321 1.00 0.00 C ATOM 658 O HIS A 46 5.081 3.783 -1.552 1.00 0.00 O ATOM 659 CB HIS A 46 7.350 3.003 0.292 1.00 0.00 C ATOM 660 CG HIS A 46 7.845 2.029 -0.700 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.553 2.379 -1.811 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.876 0.705 -0.656 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.003 1.303 -2.390 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.609 0.270 -1.715 1.00 0.00 N ATOM 0 H HIS A 46 5.278 1.175 -0.106 1.00 0.00 H new ATOM 0 HA HIS A 46 5.830 3.462 1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.651 3.997 -0.040 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.867 2.811 1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.403 0.082 0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.606 1.276 -3.286 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.814 -0.704 -1.940 1.00 0.00 H new ATOM 673 N PHE A 47 4.338 4.842 0.293 1.00 0.00 N ATOM 674 CA PHE A 47 3.458 5.762 -0.393 1.00 0.00 C ATOM 675 C PHE A 47 4.313 6.795 -1.105 1.00 0.00 C ATOM 676 O PHE A 47 5.322 7.260 -0.556 1.00 0.00 O ATOM 677 CB PHE A 47 2.550 6.493 0.598 1.00 0.00 C ATOM 678 CG PHE A 47 1.871 5.654 1.664 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.577 5.229 2.778 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.530 5.342 1.583 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.968 4.509 3.771 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.086 4.625 2.590 1.00 0.00 C ATOM 683 CZ PHE A 47 0.637 4.210 3.680 1.00 0.00 C ATOM 0 H PHE A 47 4.337 4.957 1.306 1.00 0.00 H new ATOM 0 HA PHE A 47 2.838 5.202 -1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.143 7.259 1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.776 7.009 0.030 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.626 5.470 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.043 5.661 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.539 4.177 4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.138 4.391 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.155 3.647 4.466 1.00 0.00 H new ATOM 693 N GLU A 48 3.903 7.189 -2.278 1.00 0.00 N ATOM 694 CA GLU A 48 4.696 8.092 -3.099 1.00 0.00 C ATOM 695 C GLU A 48 4.508 9.576 -2.775 1.00 0.00 C ATOM 696 O GLU A 48 5.037 10.438 -3.477 1.00 0.00 O ATOM 697 CB GLU A 48 4.459 7.803 -4.577 1.00 0.00 C ATOM 698 CG GLU A 48 5.027 6.464 -5.017 1.00 0.00 C ATOM 699 CD GLU A 48 6.533 6.414 -4.855 1.00 0.00 C ATOM 700 OE1 GLU A 48 7.019 6.160 -3.734 1.00 0.00 O ATOM 701 OE2 GLU A 48 7.253 6.659 -5.838 1.00 0.00 O ATOM 0 H GLU A 48 3.019 6.902 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 48 5.739 7.890 -2.854 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.388 7.821 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.909 8.596 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.571 5.665 -4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.767 6.283 -6.060 1.00 0.00 H new ATOM 708 N ARG A 49 3.793 9.881 -1.720 1.00 0.00 N ATOM 709 CA ARG A 49 3.604 11.272 -1.324 1.00 0.00 C ATOM 710 C ARG A 49 3.379 11.315 0.182 1.00 0.00 C ATOM 711 O ARG A 49 2.735 12.205 0.722 1.00 0.00 O ATOM 712 CB ARG A 49 2.420 11.876 -2.103 1.00 0.00 C ATOM 713 CG ARG A 49 2.344 13.401 -2.063 1.00 0.00 C ATOM 714 CD ARG A 49 1.301 13.919 -3.035 1.00 0.00 C ATOM 715 NE ARG A 49 1.575 13.453 -4.403 1.00 0.00 N ATOM 716 CZ ARG A 49 0.697 13.395 -5.403 1.00 0.00 C ATOM 717 NH1 ARG A 49 -0.499 13.937 -5.268 1.00 0.00 N ATOM 718 NH2 ARG A 49 1.047 12.821 -6.550 1.00 0.00 N ATOM 0 H ARG A 49 3.332 9.198 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 49 4.485 11.869 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.485 11.556 -3.143 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.492 11.468 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.100 13.730 -1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.318 13.824 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.311 13.584 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.289 15.009 -3.014 1.00 0.00 H new ATOM 0 HE ARG A 49 2.526 13.145 -4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.753 14.402 -4.396 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.169 13.891 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.982 12.429 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.380 12.773 -7.320 1.00 0.00 H new ATOM 732 N TRP A 50 3.978 10.370 0.855 1.00 0.00 N ATOM 733 CA TRP A 50 3.797 10.219 2.275 1.00 0.00 C ATOM 734 C TRP A 50 4.904 10.947 3.013 1.00 0.00 C ATOM 735 O TRP A 50 5.937 10.364 3.326 1.00 0.00 O ATOM 736 CB TRP A 50 3.808 8.743 2.615 1.00 0.00 C ATOM 737 CG TRP A 50 3.363 8.369 3.988 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.142 7.952 5.010 1.00 0.00 C ATOM 739 CD2 TRP A 50 2.025 8.330 4.468 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.384 7.664 6.093 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.080 7.883 5.793 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.787 8.629 3.910 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.951 7.723 6.574 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.334 8.469 4.686 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.243 8.019 6.008 1.00 0.00 C ATOM 0 H TRP A 50 4.605 9.683 0.436 1.00 0.00 H new ATOM 0 HA TRP A 50 2.843 10.650 2.579 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.172 8.224 1.898 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.822 8.368 2.472 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.217 7.861 4.968 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.737 7.335 6.992 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.709 8.979 2.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.018 7.376 7.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.304 8.695 4.269 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.146 7.905 6.590 1.00 0.00 H new ATOM 756 N SER A 51 4.684 12.218 3.269 1.00 0.00 N ATOM 757 CA SER A 51 5.653 13.093 3.935 1.00 0.00 C ATOM 758 C SER A 51 5.968 12.657 5.384 1.00 0.00 C ATOM 759 O SER A 51 6.902 13.173 6.015 1.00 0.00 O ATOM 760 CB SER A 51 5.111 14.514 3.921 1.00 0.00 C ATOM 761 OG SER A 51 4.803 14.906 2.586 1.00 0.00 O ATOM 0 H SER A 51 3.815 12.691 3.020 1.00 0.00 H new ATOM 0 HA SER A 51 6.593 13.029 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.218 14.577 4.542 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.846 15.196 4.349 1.00 0.00 H new ATOM 0 HG SER A 51 3.939 15.368 2.572 1.00 0.00 H new ATOM 767 N HIS A 52 5.200 11.708 5.896 1.00 0.00 N ATOM 768 CA HIS A 52 5.395 11.224 7.251 1.00 0.00 C ATOM 769 C HIS A 52 6.645 10.380 7.360 1.00 0.00 C ATOM 770 O HIS A 52 7.669 10.835 7.840 1.00 0.00 O ATOM 771 CB HIS A 52 4.192 10.423 7.767 1.00 0.00 C ATOM 772 CG HIS A 52 2.939 11.214 7.987 1.00 0.00 C ATOM 773 ND1 HIS A 52 2.491 11.594 9.231 1.00 0.00 N ATOM 774 CD2 HIS A 52 2.017 11.666 7.110 1.00 0.00 C ATOM 775 CE1 HIS A 52 1.360 12.242 9.105 1.00 0.00 C ATOM 776 NE2 HIS A 52 1.049 12.298 7.828 1.00 0.00 N ATOM 0 H HIS A 52 4.436 11.258 5.392 1.00 0.00 H new ATOM 0 HA HIS A 52 5.504 12.111 7.875 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.977 9.625 7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.471 9.947 8.707 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.043 11.548 6.037 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.780 12.660 9.914 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.217 12.743 7.439 1.00 0.00 H new ATOM 785 N ARG A 53 6.568 9.164 6.886 1.00 0.00 N ATOM 786 CA ARG A 53 7.673 8.232 7.035 1.00 0.00 C ATOM 787 C ARG A 53 8.015 7.548 5.732 1.00 0.00 C ATOM 788 O ARG A 53 9.049 6.894 5.631 1.00 0.00 O ATOM 789 CB ARG A 53 7.278 7.162 8.039 1.00 0.00 C ATOM 790 CG ARG A 53 7.004 7.667 9.437 1.00 0.00 C ATOM 791 CD ARG A 53 6.521 6.541 10.319 1.00 0.00 C ATOM 792 NE ARG A 53 7.498 5.458 10.425 1.00 0.00 N ATOM 793 CZ ARG A 53 7.182 4.180 10.640 1.00 0.00 C ATOM 794 NH1 ARG A 53 5.922 3.769 10.522 1.00 0.00 N ATOM 795 NH2 ARG A 53 8.126 3.295 10.904 1.00 0.00 N ATOM 0 H ARG A 53 5.757 8.789 6.394 1.00 0.00 H new ATOM 0 HA ARG A 53 8.543 8.797 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.387 6.652 7.672 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.074 6.419 8.087 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.910 8.103 9.857 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.255 8.458 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.304 6.930 11.314 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.587 6.146 9.920 1.00 0.00 H new ATOM 0 HE ARG A 53 8.485 5.695 10.328 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.191 4.433 10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.687 2.790 10.688 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.102 3.587 10.944 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.879 2.319 11.068 1.00 0.00 H new ATOM 809 N TYR A 54 7.156 7.722 4.737 1.00 0.00 N ATOM 810 CA TYR A 54 7.203 7.001 3.446 1.00 0.00 C ATOM 811 C TYR A 54 6.904 5.503 3.582 1.00 0.00 C ATOM 812 O TYR A 54 6.050 4.985 2.875 1.00 0.00 O ATOM 813 CB TYR A 54 8.478 7.284 2.622 1.00 0.00 C ATOM 814 CG TYR A 54 8.519 8.696 2.091 1.00 0.00 C ATOM 815 CD1 TYR A 54 9.028 9.732 2.854 1.00 0.00 C ATOM 816 CD2 TYR A 54 8.012 8.998 0.832 1.00 0.00 C ATOM 817 CE1 TYR A 54 9.029 11.028 2.388 1.00 0.00 C ATOM 818 CE2 TYR A 54 8.019 10.292 0.353 1.00 0.00 C ATOM 819 CZ TYR A 54 8.525 11.305 1.140 1.00 0.00 C ATOM 820 OH TYR A 54 8.518 12.604 0.679 1.00 0.00 O ATOM 0 H TYR A 54 6.382 8.383 4.794 1.00 0.00 H new ATOM 0 HA TYR A 54 6.384 7.420 2.861 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.356 7.107 3.244 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.531 6.584 1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.432 9.520 3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.606 8.207 0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 54 9.425 11.824 3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.631 10.510 -0.631 1.00 0.00 H new ATOM 0 HH TYR A 54 8.130 12.630 -0.221 1.00 0.00 H new ATOM 830 N ASP A 55 7.561 4.840 4.514 1.00 0.00 N ATOM 831 CA ASP A 55 7.386 3.409 4.740 1.00 0.00 C ATOM 832 C ASP A 55 6.409 3.193 5.873 1.00 0.00 C ATOM 833 O ASP A 55 6.660 3.642 6.999 1.00 0.00 O ATOM 834 CB ASP A 55 8.707 2.747 5.177 1.00 0.00 C ATOM 835 CG ASP A 55 9.876 3.018 4.283 1.00 0.00 C ATOM 836 OD1 ASP A 55 10.110 2.264 3.329 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.620 3.990 4.544 1.00 0.00 O ATOM 0 H ASP A 55 8.236 5.277 5.142 1.00 0.00 H new ATOM 0 HA ASP A 55 7.034 2.974 3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.951 3.088 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.554 1.669 5.234 1.00 0.00 H new ATOM 842 N GLU A 56 5.329 2.516 5.613 1.00 0.00 N ATOM 843 CA GLU A 56 4.386 2.182 6.654 1.00 0.00 C ATOM 844 C GLU A 56 3.862 0.768 6.385 1.00 0.00 C ATOM 845 O GLU A 56 3.915 0.298 5.254 1.00 0.00 O ATOM 846 CB GLU A 56 3.235 3.219 6.688 1.00 0.00 C ATOM 847 CG GLU A 56 2.311 3.113 7.891 1.00 0.00 C ATOM 848 CD GLU A 56 3.051 3.253 9.206 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.303 4.405 9.660 1.00 0.00 O ATOM 850 OE2 GLU A 56 3.400 2.215 9.815 1.00 0.00 O ATOM 0 H GLU A 56 5.073 2.180 4.685 1.00 0.00 H new ATOM 0 HA GLU A 56 4.868 2.207 7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.667 4.220 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.640 3.110 5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.544 3.885 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.798 2.152 7.867 1.00 0.00 H new ATOM 857 N TRP A 57 3.418 0.084 7.409 1.00 0.00 N ATOM 858 CA TRP A 57 2.885 -1.266 7.255 1.00 0.00 C ATOM 859 C TRP A 57 1.394 -1.263 7.450 1.00 0.00 C ATOM 860 O TRP A 57 0.901 -0.792 8.487 1.00 0.00 O ATOM 861 CB TRP A 57 3.524 -2.237 8.246 1.00 0.00 C ATOM 862 CG TRP A 57 4.949 -2.570 7.949 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.048 -1.816 8.219 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.422 -3.766 7.333 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.177 -2.470 7.800 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.818 -3.672 7.258 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.796 -4.905 6.839 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.598 -4.683 6.708 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.568 -5.907 6.294 1.00 0.00 C ATOM 870 CH2 TRP A 57 6.954 -5.790 6.235 1.00 0.00 C ATOM 0 H TRP A 57 3.411 0.433 8.367 1.00 0.00 H new ATOM 0 HA TRP A 57 3.123 -1.599 6.245 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.464 -1.808 9.246 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.943 -3.159 8.259 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.033 -0.846 8.693 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.131 -2.117 7.880 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.721 -5.002 6.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.673 -4.596 6.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.092 -6.796 5.907 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.533 -6.594 5.805 1.00 0.00 H new ATOM 881 N ILE A 58 0.668 -1.767 6.483 1.00 0.00 N ATOM 882 CA ILE A 58 -0.789 -1.802 6.560 1.00 0.00 C ATOM 883 C ILE A 58 -1.270 -3.205 6.150 1.00 0.00 C ATOM 884 O ILE A 58 -0.552 -3.913 5.471 1.00 0.00 O ATOM 885 CB ILE A 58 -1.445 -0.694 5.647 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.877 0.699 5.978 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.959 -0.666 5.826 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.453 1.821 5.135 1.00 0.00 C ATOM 0 H ILE A 58 1.055 -2.162 5.626 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.097 -1.590 7.584 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.208 -0.945 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.066 0.916 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.205 0.679 5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.387 0.106 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.376 -1.636 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.198 -0.448 6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.001 2.768 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.241 1.631 4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.531 1.872 5.285 1.00 0.00 H new ATOM 900 N TYR A 59 -2.451 -3.602 6.606 1.00 0.00 N ATOM 901 CA TYR A 59 -3.023 -4.925 6.310 1.00 0.00 C ATOM 902 C TYR A 59 -3.667 -4.924 4.920 1.00 0.00 C ATOM 903 O TYR A 59 -3.723 -3.878 4.261 1.00 0.00 O ATOM 904 CB TYR A 59 -4.090 -5.286 7.352 1.00 0.00 C ATOM 905 CG TYR A 59 -3.637 -5.149 8.784 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.928 -6.158 9.416 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.931 -4.002 9.506 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.525 -6.027 10.726 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.531 -3.862 10.811 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.829 -4.875 11.418 1.00 0.00 C ATOM 911 OH TYR A 59 -2.431 -4.734 12.727 1.00 0.00 O ATOM 0 H TYR A 59 -3.047 -3.020 7.194 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.219 -5.660 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.961 -4.649 7.197 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.412 -6.313 7.183 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.688 -7.060 8.873 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.485 -3.205 9.033 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.975 -6.822 11.208 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.767 -2.961 11.358 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.725 -3.863 13.066 1.00 0.00 H new ATOM 921 N TRP A 60 -4.193 -6.075 4.497 1.00 0.00 N ATOM 922 CA TRP A 60 -4.820 -6.207 3.177 1.00 0.00 C ATOM 923 C TRP A 60 -6.123 -5.413 3.170 1.00 0.00 C ATOM 924 O TRP A 60 -7.137 -5.900 3.690 1.00 0.00 O ATOM 925 CB TRP A 60 -5.148 -7.677 2.854 1.00 0.00 C ATOM 926 CG TRP A 60 -4.058 -8.674 3.131 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.135 -9.731 3.988 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.739 -8.714 2.574 1.00 0.00 C ATOM 929 NE1 TRP A 60 -2.963 -10.431 3.983 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.089 -9.828 3.135 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.044 -7.928 1.659 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -0.788 -10.169 2.813 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.747 -8.271 1.344 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.137 -9.380 1.921 1.00 0.00 C ATOM 0 H TRP A 60 -4.198 -6.932 5.050 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.122 -5.832 2.429 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.030 -7.965 3.426 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.415 -7.745 1.800 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.000 -9.979 4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -2.774 -11.272 4.528 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.512 -7.067 1.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.308 -11.030 3.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.195 -7.669 0.637 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.881 -9.619 1.652 1.00 0.00 H new ATOM 945 N ASP A 61 -6.079 -4.188 2.606 1.00 0.00 N ATOM 946 CA ASP A 61 -7.211 -3.231 2.618 1.00 0.00 C ATOM 947 C ASP A 61 -7.903 -3.185 3.944 1.00 0.00 C ATOM 948 O ASP A 61 -9.044 -3.618 4.099 1.00 0.00 O ATOM 949 CB ASP A 61 -8.222 -3.307 1.428 1.00 0.00 C ATOM 950 CG ASP A 61 -8.823 -4.671 1.114 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.111 -5.562 0.574 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.048 -4.854 1.347 1.00 0.00 O ATOM 0 H ASP A 61 -5.253 -3.831 2.126 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.714 -2.276 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.040 -2.616 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -7.718 -2.945 0.532 1.00 0.00 H new ATOM 957 N SER A 62 -7.174 -2.711 4.922 1.00 0.00 N ATOM 958 CA SER A 62 -7.665 -2.658 6.267 1.00 0.00 C ATOM 959 C SER A 62 -8.844 -1.682 6.362 1.00 0.00 C ATOM 960 O SER A 62 -9.987 -2.091 6.595 1.00 0.00 O ATOM 961 CB SER A 62 -6.520 -2.277 7.202 1.00 0.00 C ATOM 962 OG SER A 62 -5.917 -1.061 6.782 1.00 0.00 O ATOM 0 H SER A 62 -6.226 -2.353 4.805 1.00 0.00 H new ATOM 0 HA SER A 62 -8.038 -3.636 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.894 -2.171 8.220 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.775 -3.073 7.217 1.00 0.00 H new ATOM 0 HG SER A 62 -6.221 -0.329 7.358 1.00 0.00 H new ATOM 968 N ASN A 63 -8.572 -0.417 6.165 1.00 0.00 N ATOM 969 CA ASN A 63 -9.626 0.584 6.161 1.00 0.00 C ATOM 970 C ASN A 63 -9.364 1.639 5.096 1.00 0.00 C ATOM 971 O ASN A 63 -10.287 2.130 4.456 1.00 0.00 O ATOM 972 CB ASN A 63 -9.797 1.260 7.555 1.00 0.00 C ATOM 973 CG ASN A 63 -8.657 2.206 7.944 1.00 0.00 C ATOM 974 OD1 ASN A 63 -8.696 3.394 7.640 1.00 0.00 O ATOM 975 ND2 ASN A 63 -7.662 1.701 8.614 1.00 0.00 N ATOM 0 H ASN A 63 -7.634 -0.049 6.005 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.556 0.066 5.928 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.734 1.817 7.562 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.883 0.483 8.314 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.886 2.297 8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.658 0.709 8.852 1.00 0.00 H new ATOM 982 N ARG A 64 -8.106 1.950 4.861 1.00 0.00 N ATOM 983 CA ARG A 64 -7.768 3.039 3.963 1.00 0.00 C ATOM 984 C ARG A 64 -6.784 2.549 2.897 1.00 0.00 C ATOM 985 O ARG A 64 -5.981 3.313 2.361 1.00 0.00 O ATOM 986 CB ARG A 64 -7.143 4.157 4.798 1.00 0.00 C ATOM 987 CG ARG A 64 -7.279 5.529 4.207 1.00 0.00 C ATOM 988 CD ARG A 64 -6.616 6.553 5.087 1.00 0.00 C ATOM 989 NE ARG A 64 -7.257 6.659 6.419 1.00 0.00 N ATOM 990 CZ ARG A 64 -6.897 7.520 7.386 1.00 0.00 C ATOM 991 NH1 ARG A 64 -5.889 8.346 7.202 1.00 0.00 N ATOM 992 NH2 ARG A 64 -7.550 7.535 8.552 1.00 0.00 N ATOM 0 H ARG A 64 -7.306 1.470 5.274 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.658 3.408 3.453 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.602 4.154 5.786 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.084 3.939 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.830 5.549 3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.334 5.775 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -5.565 6.293 5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.647 7.525 4.594 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.033 6.028 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.375 8.335 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.622 8.997 7.941 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.325 6.891 8.711 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.273 8.190 9.283 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.885 1.286 2.555 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.976 0.706 1.597 1.00 0.00 C ATOM 1008 C LEU A 65 -6.797 -0.039 0.546 1.00 0.00 C ATOM 1009 O LEU A 65 -7.928 -0.408 0.827 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.992 -0.221 2.305 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.654 -0.353 1.613 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.978 1.001 1.562 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.768 -1.314 2.330 1.00 0.00 C ATOM 0 H LEU A 65 -7.585 0.643 2.925 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.390 1.482 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.829 0.147 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.442 -1.210 2.393 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.828 -0.728 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.013 0.907 1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.606 1.700 1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.828 1.371 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.814 -1.388 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.599 -0.963 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.243 -2.295 2.358 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.271 -0.180 -0.658 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.997 -0.781 -1.775 1.00 0.00 C ATOM 1027 C ARG A 66 -6.147 -1.779 -2.562 1.00 0.00 C ATOM 1028 O ARG A 66 -4.971 -1.482 -2.966 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.530 0.328 -2.689 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.144 -0.096 -4.003 1.00 0.00 C ATOM 1031 CD ARG A 66 -8.755 1.111 -4.698 1.00 0.00 C ATOM 1032 NE ARG A 66 -9.075 0.850 -6.098 1.00 0.00 N ATOM 1033 CZ ARG A 66 -10.280 1.007 -6.678 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.374 1.179 -5.929 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -10.396 0.922 -7.997 1.00 0.00 N ATOM 0 H ARG A 66 -5.325 0.119 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.831 -1.351 -1.365 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.278 0.893 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.709 1.012 -2.905 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.385 -0.549 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.908 -0.854 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.662 1.409 -4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.062 1.950 -4.638 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.315 0.518 -6.692 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.299 1.192 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.284 1.297 -6.375 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.573 0.738 -8.571 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.308 1.041 -8.437 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.733 -2.975 -2.794 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.105 -4.056 -3.521 1.00 0.00 C ATOM 1051 C PRO A 67 -6.139 -3.851 -5.039 1.00 0.00 C ATOM 1052 O PRO A 67 -6.615 -2.827 -5.536 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.943 -5.263 -3.132 1.00 0.00 C ATOM 1054 CG PRO A 67 -8.303 -4.708 -2.939 1.00 0.00 C ATOM 1055 CD PRO A 67 -8.099 -3.357 -2.336 1.00 0.00 C ATOM 0 HA PRO A 67 -5.047 -4.148 -3.277 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.930 -6.026 -3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.570 -5.731 -2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.837 -4.639 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.898 -5.345 -2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.851 -2.646 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.164 -3.389 -1.248 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.624 -4.835 -5.748 1.00 0.00 N ATOM 1064 CA LEU A 68 -5.508 -4.816 -7.202 1.00 0.00 C ATOM 1065 C LEU A 68 -6.850 -4.850 -7.865 1.00 0.00 C ATOM 1066 O LEU A 68 -7.835 -5.305 -7.275 1.00 0.00 O ATOM 1067 CB LEU A 68 -4.687 -6.044 -7.646 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.578 -6.373 -9.133 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.781 -5.314 -9.874 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -3.956 -7.739 -9.311 1.00 0.00 C ATOM 0 H LEU A 68 -5.265 -5.691 -5.325 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.014 -3.890 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.674 -5.916 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.108 -6.917 -7.147 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.581 -6.384 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.721 -5.576 -10.930 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.273 -4.347 -9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.776 -5.257 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.881 -7.969 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.961 -7.746 -8.867 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.578 -8.488 -8.821 1.00 0.00 H new ATOM 1082 N GLU A 69 -6.898 -4.332 -9.065 1.00 0.00 N ATOM 1083 CA GLU A 69 -8.022 -4.514 -9.926 1.00 0.00 C ATOM 1084 C GLU A 69 -7.986 -5.974 -10.396 1.00 0.00 C ATOM 1085 O GLU A 69 -7.446 -6.313 -11.453 1.00 0.00 O ATOM 1086 CB GLU A 69 -7.971 -3.515 -11.095 1.00 0.00 C ATOM 1087 CG GLU A 69 -6.595 -3.406 -11.753 1.00 0.00 C ATOM 1088 CD GLU A 69 -6.579 -2.450 -12.921 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -6.544 -1.230 -12.716 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -6.612 -2.922 -14.081 1.00 0.00 O ATOM 0 H GLU A 69 -6.149 -3.769 -9.469 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.962 -4.319 -9.410 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.701 -3.813 -11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.270 -2.531 -10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.867 -3.078 -11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.281 -4.393 -12.093 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.453 -6.832 -9.536 1.00 0.00 N ATOM 1098 CA ARG A 70 -8.366 -8.245 -9.732 1.00 0.00 C ATOM 1099 C ARG A 70 -9.329 -8.703 -10.843 1.00 0.00 C ATOM 1100 O ARG A 70 -10.462 -8.208 -10.933 1.00 0.00 O ATOM 1101 CB ARG A 70 -8.685 -8.969 -8.422 1.00 0.00 C ATOM 1102 CG ARG A 70 -7.685 -8.724 -7.304 1.00 0.00 C ATOM 1103 CD ARG A 70 -8.167 -9.326 -5.992 1.00 0.00 C ATOM 1104 NE ARG A 70 -7.164 -9.212 -4.922 1.00 0.00 N ATOM 1105 CZ ARG A 70 -7.406 -8.742 -3.680 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -8.585 -8.221 -3.378 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -6.443 -8.743 -2.770 1.00 0.00 N ATOM 0 H ARG A 70 -8.912 -6.562 -8.666 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.350 -8.493 -10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.673 -8.659 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.737 -10.040 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.721 -9.157 -7.573 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.530 -7.652 -7.180 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.085 -8.826 -5.681 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.413 -10.377 -6.146 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.212 -9.511 -5.135 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.318 -8.173 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.761 -7.868 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.517 -9.099 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.627 -8.387 -1.832 1.00 0.00 H new TER 1121 ARG A 70