USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 109 LYS NZ :NH3+ -121:sc= 1.86 (180deg=-0.0752) USER MOD Set 1.2: A 110 TYR OH : rot -156:sc= 1.31 USER MOD Set 1.3: A 121 HIS : no HE2:sc= 0.699 K(o=3.9,f=-0.36) USER MOD Single : A 96 THR OG1 : rot 92:sc= 0.0786 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.405 K(o=-0.41,f=-11!) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 169:sc=-0.00371 (180deg=-0.124) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ -139:sc= 1.28 (180deg=0.807) USER MOD Single : A 129 GLN :FLIP amide:sc= -0.471 F(o=-1.5,f=-0.47) USER MOD Single : A 130 CYS SG : rot 180:sc=0.000651 USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 136 ASN :FLIP amide:sc= -0.283 F(o=-2.8,f=-0.28) USER MOD Single : A 137 HIS : no HD1:sc= -0.0319 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.307 -10.306 -13.733 1.00 0.00 N ATOM 85 CA TRP A 95 14.528 -9.817 -14.343 1.00 0.00 C ATOM 86 C TRP A 95 14.413 -9.894 -15.858 1.00 0.00 C ATOM 87 O TRP A 95 14.001 -10.917 -16.406 1.00 0.00 O ATOM 88 CB TRP A 95 15.708 -10.644 -13.845 1.00 0.00 C ATOM 89 CG TRP A 95 16.419 -10.058 -12.671 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.922 -9.936 -11.429 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.759 -9.492 -12.609 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.838 -9.348 -10.588 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.006 -9.050 -11.271 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.796 -9.304 -13.546 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.215 -8.456 -10.890 1.00 0.00 C ATOM 96 CZ3 TRP A 95 20.011 -8.700 -13.170 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.220 -8.273 -11.847 1.00 0.00 C ATOM 0 HA TRP A 95 14.689 -8.775 -14.065 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.352 -11.639 -13.579 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.420 -10.767 -14.661 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.935 -10.257 -11.131 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.679 -9.158 -9.599 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.656 -9.628 -14.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.371 -8.142 -9.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.790 -8.563 -13.905 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.153 -7.805 -11.570 1.00 0.00 H new ATOM 108 N THR A 96 14.770 -8.802 -16.529 1.00 0.00 N ATOM 109 CA THR A 96 14.675 -8.720 -17.971 1.00 0.00 C ATOM 110 C THR A 96 15.904 -9.382 -18.597 1.00 0.00 C ATOM 111 O THR A 96 16.960 -9.455 -17.970 1.00 0.00 O ATOM 112 CB THR A 96 14.535 -7.246 -18.395 1.00 0.00 C ATOM 113 OG1 THR A 96 15.811 -6.668 -18.570 1.00 0.00 O ATOM 114 CG2 THR A 96 13.757 -6.459 -17.322 1.00 0.00 C ATOM 0 H THR A 96 15.130 -7.957 -16.085 1.00 0.00 H new ATOM 0 HA THR A 96 13.791 -9.251 -18.325 1.00 0.00 H new ATOM 0 HB THR A 96 13.990 -7.205 -19.338 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.088 -6.763 -19.505 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.663 -5.418 -17.631 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.764 -6.892 -17.201 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.293 -6.509 -16.374 1.00 0.00 H new ATOM 122 N LYS A 97 15.759 -9.870 -19.835 1.00 0.00 N ATOM 123 CA LYS A 97 16.847 -10.541 -20.537 1.00 0.00 C ATOM 124 C LYS A 97 18.067 -9.623 -20.617 1.00 0.00 C ATOM 125 O LYS A 97 19.195 -10.077 -20.453 1.00 0.00 O ATOM 126 CB LYS A 97 16.375 -10.944 -21.945 1.00 0.00 C ATOM 127 CG LYS A 97 16.460 -12.465 -22.113 1.00 0.00 C ATOM 128 CD LYS A 97 15.357 -13.142 -21.291 1.00 0.00 C ATOM 129 CE LYS A 97 15.466 -14.662 -21.438 1.00 0.00 C ATOM 130 NZ LYS A 97 14.452 -15.347 -20.616 1.00 0.00 N ATOM 0 H LYS A 97 14.892 -9.809 -20.369 1.00 0.00 H new ATOM 0 HA LYS A 97 17.134 -11.439 -19.990 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.350 -10.609 -22.103 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.990 -10.452 -22.698 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.356 -12.730 -23.165 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.438 -12.822 -21.789 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.447 -12.861 -20.242 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.378 -12.803 -21.629 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.339 -14.940 -22.484 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.462 -14.989 -21.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.547 -16.376 -20.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.590 -15.098 -19.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.502 -15.051 -20.918 1.00 0.00 H new ATOM 144 N GLU A 98 17.831 -8.332 -20.866 1.00 0.00 N ATOM 145 CA GLU A 98 18.899 -7.349 -20.960 1.00 0.00 C ATOM 146 C GLU A 98 19.598 -7.221 -19.608 1.00 0.00 C ATOM 147 O GLU A 98 20.825 -7.248 -19.534 1.00 0.00 O ATOM 148 CB GLU A 98 18.302 -6.006 -21.397 1.00 0.00 C ATOM 149 CG GLU A 98 19.413 -4.964 -21.556 1.00 0.00 C ATOM 150 CD GLU A 98 18.852 -3.652 -22.093 1.00 0.00 C ATOM 151 OE1 GLU A 98 17.831 -3.198 -21.530 1.00 0.00 O ATOM 152 OE2 GLU A 98 19.454 -3.129 -23.054 1.00 0.00 O ATOM 0 H GLU A 98 16.897 -7.946 -21.007 1.00 0.00 H new ATOM 0 HA GLU A 98 19.638 -7.664 -21.697 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.768 -6.126 -22.339 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.575 -5.665 -20.660 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.896 -4.792 -20.594 1.00 0.00 H new ATOM 0 HG3 GLU A 98 20.178 -5.342 -22.234 1.00 0.00 H new ATOM 159 N GLU A 99 18.807 -7.083 -18.540 1.00 0.00 N ATOM 160 CA GLU A 99 19.335 -6.945 -17.193 1.00 0.00 C ATOM 161 C GLU A 99 20.216 -8.151 -16.853 1.00 0.00 C ATOM 162 O GLU A 99 21.309 -7.992 -16.315 1.00 0.00 O ATOM 163 CB GLU A 99 18.161 -6.817 -16.217 1.00 0.00 C ATOM 164 CG GLU A 99 18.537 -5.901 -15.054 1.00 0.00 C ATOM 165 CD GLU A 99 17.310 -5.571 -14.215 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.345 -6.374 -14.267 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.354 -4.526 -13.533 1.00 0.00 O ATOM 0 H GLU A 99 17.788 -7.065 -18.591 1.00 0.00 H new ATOM 0 HA GLU A 99 19.955 -6.052 -17.117 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.289 -6.418 -16.736 1.00 0.00 H new ATOM 0 HB3 GLU A 99 17.884 -7.801 -15.839 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.291 -6.384 -14.432 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.981 -4.982 -15.436 1.00 0.00 H new ATOM 174 N ASP A 100 19.741 -9.357 -17.179 1.00 0.00 N ATOM 175 CA ASP A 100 20.500 -10.576 -16.938 1.00 0.00 C ATOM 176 C ASP A 100 21.783 -10.555 -17.771 1.00 0.00 C ATOM 177 O ASP A 100 22.859 -10.874 -17.265 1.00 0.00 O ATOM 178 CB ASP A 100 19.641 -11.794 -17.302 1.00 0.00 C ATOM 179 CG ASP A 100 18.964 -12.386 -16.078 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.691 -12.712 -15.114 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.725 -12.508 -16.127 1.00 0.00 O ATOM 0 H ASP A 100 18.830 -9.509 -17.612 1.00 0.00 H new ATOM 0 HA ASP A 100 20.770 -10.639 -15.884 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.885 -11.502 -18.031 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.265 -12.552 -17.776 1.00 0.00 H new ATOM 186 N GLN A 101 21.665 -10.175 -19.052 1.00 0.00 N ATOM 187 CA GLN A 101 22.807 -10.115 -19.955 1.00 0.00 C ATOM 188 C GLN A 101 23.890 -9.207 -19.370 1.00 0.00 C ATOM 189 O GLN A 101 25.076 -9.516 -19.476 1.00 0.00 O ATOM 190 CB GLN A 101 22.341 -9.619 -21.332 1.00 0.00 C ATOM 191 CG GLN A 101 23.442 -9.845 -22.382 1.00 0.00 C ATOM 192 CD GLN A 101 24.475 -8.718 -22.376 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.137 -7.561 -22.137 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.737 -9.061 -22.646 1.00 0.00 N ATOM 0 H GLN A 101 20.780 -9.904 -19.481 1.00 0.00 H new ATOM 0 HA GLN A 101 23.238 -11.109 -20.075 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.434 -10.146 -21.628 1.00 0.00 H new ATOM 0 HB3 GLN A 101 22.092 -8.559 -21.279 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.940 -10.795 -22.187 1.00 0.00 H new ATOM 0 HG3 GLN A 101 22.991 -9.919 -23.371 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.971 -10.035 -22.838 1.00 0.00 H new ATOM 0 HE22 GLN A 101 26.467 -8.349 -22.660 1.00 0.00 H new ATOM 203 N ARG A 102 23.487 -8.090 -18.748 1.00 0.00 N ATOM 204 CA ARG A 102 24.438 -7.173 -18.140 1.00 0.00 C ATOM 205 C ARG A 102 25.252 -7.907 -17.076 1.00 0.00 C ATOM 206 O ARG A 102 26.472 -7.859 -17.105 1.00 0.00 O ATOM 207 CB ARG A 102 23.707 -5.971 -17.526 1.00 0.00 C ATOM 208 CG ARG A 102 23.241 -4.999 -18.620 1.00 0.00 C ATOM 209 CD ARG A 102 24.451 -4.346 -19.304 1.00 0.00 C ATOM 210 NE ARG A 102 24.721 -4.983 -20.602 1.00 0.00 N ATOM 211 CZ ARG A 102 25.947 -5.076 -21.150 1.00 0.00 C ATOM 212 NH1 ARG A 102 27.007 -4.507 -20.562 1.00 0.00 N ATOM 213 NH2 ARG A 102 26.105 -5.748 -22.291 1.00 0.00 N ATOM 0 H ARG A 102 22.511 -7.808 -18.657 1.00 0.00 H new ATOM 0 HA ARG A 102 25.115 -6.801 -18.909 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.848 -6.317 -16.951 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.368 -5.454 -16.831 1.00 0.00 H new ATOM 0 HG2 ARG A 102 22.641 -5.532 -19.358 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.602 -4.230 -18.185 1.00 0.00 H new ATOM 0 HD2 ARG A 102 24.263 -3.282 -19.448 1.00 0.00 H new ATOM 0 HD3 ARG A 102 25.328 -4.431 -18.662 1.00 0.00 H new ATOM 0 HE ARG A 102 23.934 -5.377 -21.117 1.00 0.00 H new ATOM 0 HH11 ARG A 102 26.891 -3.995 -19.687 1.00 0.00 H new ATOM 0 HH12 ARG A 102 27.930 -4.586 -20.989 1.00 0.00 H new ATOM 0 HH21 ARG A 102 25.301 -6.186 -22.741 1.00 0.00 H new ATOM 0 HH22 ARG A 102 27.030 -5.824 -22.714 1.00 0.00 H new ATOM 227 N VAL A 103 24.582 -8.589 -16.134 1.00 0.00 N ATOM 228 CA VAL A 103 25.281 -9.315 -15.075 1.00 0.00 C ATOM 229 C VAL A 103 26.234 -10.338 -15.689 1.00 0.00 C ATOM 230 O VAL A 103 27.397 -10.404 -15.302 1.00 0.00 O ATOM 231 CB VAL A 103 24.272 -10.005 -14.144 1.00 0.00 C ATOM 232 CG1 VAL A 103 25.019 -10.837 -13.097 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.429 -8.953 -13.428 1.00 0.00 C ATOM 0 H VAL A 103 23.565 -8.650 -16.088 1.00 0.00 H new ATOM 0 HA VAL A 103 25.862 -8.607 -14.483 1.00 0.00 H new ATOM 0 HB VAL A 103 23.628 -10.653 -14.739 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.300 -11.325 -12.439 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.624 -11.593 -13.597 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.666 -10.186 -12.509 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.715 -9.446 -12.769 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.079 -8.305 -12.839 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.891 -8.355 -14.164 1.00 0.00 H new ATOM 243 N ILE A 104 25.739 -11.134 -16.646 1.00 0.00 N ATOM 244 CA ILE A 104 26.548 -12.150 -17.310 1.00 0.00 C ATOM 245 C ILE A 104 27.843 -11.524 -17.838 1.00 0.00 C ATOM 246 O ILE A 104 28.937 -11.995 -17.529 1.00 0.00 O ATOM 247 CB ILE A 104 25.730 -12.775 -18.458 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.635 -13.687 -17.883 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.653 -13.587 -19.380 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.687 -14.150 -18.994 1.00 0.00 C ATOM 0 H ILE A 104 24.775 -11.089 -16.975 1.00 0.00 H new ATOM 0 HA ILE A 104 26.816 -12.933 -16.601 1.00 0.00 H new ATOM 0 HB ILE A 104 25.264 -11.977 -19.036 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.090 -14.552 -17.400 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.074 -13.153 -17.116 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.067 -14.025 -20.188 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.416 -12.932 -19.800 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.132 -14.381 -18.807 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.917 -14.795 -18.570 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.218 -13.282 -19.457 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.250 -14.703 -19.746 1.00 0.00 H new ATOM 262 N GLU A 105 27.706 -10.467 -18.640 1.00 0.00 N ATOM 263 CA GLU A 105 28.840 -9.792 -19.251 1.00 0.00 C ATOM 264 C GLU A 105 29.777 -9.214 -18.188 1.00 0.00 C ATOM 265 O GLU A 105 30.978 -9.461 -18.223 1.00 0.00 O ATOM 266 CB GLU A 105 28.303 -8.684 -20.160 1.00 0.00 C ATOM 267 CG GLU A 105 29.446 -8.034 -20.942 1.00 0.00 C ATOM 268 CD GLU A 105 28.905 -6.953 -21.866 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.202 -7.328 -22.831 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.192 -5.766 -21.590 1.00 0.00 O ATOM 0 H GLU A 105 26.803 -10.059 -18.881 1.00 0.00 H new ATOM 0 HA GLU A 105 29.421 -10.506 -19.835 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.569 -9.097 -20.852 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.789 -7.931 -19.562 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.170 -7.602 -20.250 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.973 -8.790 -21.524 1.00 0.00 H new ATOM 277 N LEU A 106 29.227 -8.433 -17.256 1.00 0.00 N ATOM 278 CA LEU A 106 30.017 -7.768 -16.228 1.00 0.00 C ATOM 279 C LEU A 106 30.786 -8.783 -15.376 1.00 0.00 C ATOM 280 O LEU A 106 31.930 -8.529 -15.015 1.00 0.00 O ATOM 281 CB LEU A 106 29.097 -6.908 -15.356 1.00 0.00 C ATOM 282 CG LEU A 106 28.514 -5.744 -16.181 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.424 -5.045 -15.366 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.616 -4.739 -16.532 1.00 0.00 C ATOM 0 H LEU A 106 28.226 -8.247 -17.196 1.00 0.00 H new ATOM 0 HA LEU A 106 30.754 -7.127 -16.711 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.289 -7.519 -14.955 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.653 -6.516 -14.504 1.00 0.00 H new ATOM 0 HG LEU A 106 28.090 -6.138 -17.105 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.009 -4.221 -15.946 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.633 -5.757 -15.130 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.853 -4.659 -14.441 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.191 -3.922 -17.115 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.052 -4.342 -15.615 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.390 -5.237 -17.116 1.00 0.00 H new ATOM 296 N VAL A 107 30.171 -9.928 -15.055 1.00 0.00 N ATOM 297 CA VAL A 107 30.837 -10.953 -14.257 1.00 0.00 C ATOM 298 C VAL A 107 31.931 -11.615 -15.092 1.00 0.00 C ATOM 299 O VAL A 107 33.020 -11.860 -14.594 1.00 0.00 O ATOM 300 CB VAL A 107 29.812 -11.984 -13.753 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.532 -13.245 -13.258 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.022 -11.384 -12.589 1.00 0.00 C ATOM 0 H VAL A 107 29.219 -10.163 -15.336 1.00 0.00 H new ATOM 0 HA VAL A 107 31.300 -10.495 -13.383 1.00 0.00 H new ATOM 0 HB VAL A 107 29.142 -12.244 -14.572 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.797 -13.968 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.105 -13.681 -14.076 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.206 -12.983 -12.442 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.295 -12.112 -12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.706 -11.124 -11.781 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.502 -10.487 -12.926 1.00 0.00 H new ATOM 312 N GLN A 108 31.646 -11.899 -16.364 1.00 0.00 N ATOM 313 CA GLN A 108 32.630 -12.507 -17.247 1.00 0.00 C ATOM 314 C GLN A 108 33.812 -11.546 -17.440 1.00 0.00 C ATOM 315 O GLN A 108 34.949 -11.983 -17.606 1.00 0.00 O ATOM 316 CB GLN A 108 31.964 -12.845 -18.586 1.00 0.00 C ATOM 317 CG GLN A 108 32.926 -13.654 -19.461 1.00 0.00 C ATOM 318 CD GLN A 108 32.225 -14.149 -20.721 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.401 -13.580 -21.795 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.430 -15.210 -20.590 1.00 0.00 N ATOM 0 H GLN A 108 30.742 -11.716 -16.801 1.00 0.00 H new ATOM 0 HA GLN A 108 33.012 -13.429 -16.808 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.050 -13.414 -18.414 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.676 -11.928 -19.100 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.782 -13.037 -19.734 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.312 -14.503 -18.897 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.314 -15.651 -19.677 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.938 -15.582 -21.402 1.00 0.00 H new ATOM 329 N LYS A 109 33.532 -10.235 -17.418 1.00 0.00 N ATOM 330 CA LYS A 109 34.549 -9.212 -17.599 1.00 0.00 C ATOM 331 C LYS A 109 35.391 -9.059 -16.327 1.00 0.00 C ATOM 332 O LYS A 109 36.614 -9.169 -16.377 1.00 0.00 O ATOM 333 CB LYS A 109 33.856 -7.892 -17.962 1.00 0.00 C ATOM 334 CG LYS A 109 34.885 -6.884 -18.492 1.00 0.00 C ATOM 335 CD LYS A 109 34.172 -5.767 -19.272 1.00 0.00 C ATOM 336 CE LYS A 109 33.444 -4.816 -18.311 1.00 0.00 C ATOM 337 NZ LYS A 109 34.393 -3.928 -17.616 1.00 0.00 N ATOM 0 H LYS A 109 32.593 -9.864 -17.274 1.00 0.00 H new ATOM 0 HA LYS A 109 35.225 -9.500 -18.404 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.089 -8.070 -18.715 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.353 -7.483 -17.086 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.449 -6.457 -17.663 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.602 -7.390 -19.138 1.00 0.00 H new ATOM 0 HD2 LYS A 109 34.898 -5.209 -19.864 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.458 -6.203 -19.971 1.00 0.00 H new ATOM 0 HE2 LYS A 109 32.722 -4.217 -18.866 1.00 0.00 H new ATOM 0 HE3 LYS A 109 32.882 -5.396 -17.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 34.310 -4.067 -16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 35.363 -4.152 -17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 34.177 -2.938 -17.850 1.00 0.00 H new ATOM 351 N TYR A 110 34.732 -8.797 -15.190 1.00 0.00 N ATOM 352 CA TYR A 110 35.415 -8.604 -13.916 1.00 0.00 C ATOM 353 C TYR A 110 35.660 -9.949 -13.239 1.00 0.00 C ATOM 354 O TYR A 110 36.800 -10.394 -13.126 1.00 0.00 O ATOM 355 CB TYR A 110 34.558 -7.711 -13.006 1.00 0.00 C ATOM 356 CG TYR A 110 34.300 -6.324 -13.553 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.364 -5.531 -14.024 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.988 -5.818 -13.572 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.111 -4.240 -14.517 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.739 -4.530 -14.063 1.00 0.00 C ATOM 361 CZ TYR A 110 33.797 -3.741 -14.536 1.00 0.00 C ATOM 362 OH TYR A 110 33.551 -2.491 -15.021 1.00 0.00 O ATOM 0 H TYR A 110 33.717 -8.714 -15.133 1.00 0.00 H new ATOM 0 HA TYR A 110 36.377 -8.123 -14.097 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.601 -8.203 -12.832 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.051 -7.620 -12.038 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.373 -5.915 -14.006 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.171 -6.423 -13.207 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.925 -3.631 -14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.730 -4.144 -14.077 1.00 0.00 H new ATOM 0 HH TYR A 110 32.718 -2.148 -14.635 1.00 0.00 H new ATOM 372 N GLY A 111 34.577 -10.579 -12.780 1.00 0.00 N ATOM 373 CA GLY A 111 34.636 -11.850 -12.082 1.00 0.00 C ATOM 374 C GLY A 111 33.503 -11.908 -11.060 1.00 0.00 C ATOM 375 O GLY A 111 32.762 -10.934 -10.906 1.00 0.00 O ATOM 0 H GLY A 111 33.631 -10.213 -12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.547 -12.673 -12.791 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.599 -11.962 -11.584 1.00 0.00 H new ATOM 379 N PRO A 112 33.365 -13.042 -10.352 1.00 0.00 N ATOM 380 CA PRO A 112 32.359 -13.204 -9.323 1.00 0.00 C ATOM 381 C PRO A 112 32.550 -12.150 -8.230 1.00 0.00 C ATOM 382 O PRO A 112 33.595 -11.499 -8.168 1.00 0.00 O ATOM 383 CB PRO A 112 32.541 -14.625 -8.779 1.00 0.00 C ATOM 384 CG PRO A 112 33.735 -15.239 -9.523 1.00 0.00 C ATOM 385 CD PRO A 112 34.206 -14.198 -10.540 1.00 0.00 C ATOM 0 HA PRO A 112 31.349 -13.068 -9.709 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.724 -14.606 -7.705 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.640 -15.218 -8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.536 -15.490 -8.828 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.445 -16.164 -10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.255 -13.946 -10.382 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.120 -14.581 -11.557 1.00 0.00 H new ATOM 393 N LYS A 113 31.535 -11.979 -7.372 1.00 0.00 N ATOM 394 CA LYS A 113 31.567 -10.977 -6.310 1.00 0.00 C ATOM 395 C LYS A 113 31.654 -9.584 -6.946 1.00 0.00 C ATOM 396 O LYS A 113 31.143 -9.379 -8.046 1.00 0.00 O ATOM 397 CB LYS A 113 32.744 -11.239 -5.349 1.00 0.00 C ATOM 398 CG LYS A 113 32.757 -12.709 -4.915 1.00 0.00 C ATOM 399 CD LYS A 113 33.766 -12.894 -3.776 1.00 0.00 C ATOM 400 CE LYS A 113 33.813 -14.365 -3.347 1.00 0.00 C ATOM 401 NZ LYS A 113 34.432 -15.208 -4.387 1.00 0.00 N ATOM 0 H LYS A 113 30.677 -12.529 -7.398 1.00 0.00 H new ATOM 0 HA LYS A 113 30.654 -11.037 -5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.685 -10.989 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.659 -10.595 -4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.762 -13.012 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 113 33.023 -13.346 -5.758 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.755 -12.570 -4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.487 -12.269 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 113 34.376 -14.457 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 113 32.802 -14.719 -3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.620 -16.155 -4.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 33.787 -15.287 -5.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 35.327 -14.777 -4.696 1.00 0.00 H new ATOM 415 N ARG A 114 32.300 -8.632 -6.254 1.00 0.00 N ATOM 416 CA ARG A 114 32.458 -7.267 -6.756 1.00 0.00 C ATOM 417 C ARG A 114 31.092 -6.702 -7.162 1.00 0.00 C ATOM 418 O ARG A 114 30.968 -6.016 -8.179 1.00 0.00 O ATOM 419 CB ARG A 114 33.436 -7.265 -7.945 1.00 0.00 C ATOM 420 CG ARG A 114 34.792 -7.838 -7.508 1.00 0.00 C ATOM 421 CD ARG A 114 35.687 -8.056 -8.731 1.00 0.00 C ATOM 422 NE ARG A 114 36.054 -6.780 -9.358 1.00 0.00 N ATOM 423 CZ ARG A 114 36.905 -6.691 -10.396 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.464 -7.799 -10.906 1.00 0.00 N ATOM 425 NH2 ARG A 114 37.194 -5.494 -10.922 1.00 0.00 N ATOM 0 H ARG A 114 32.722 -8.789 -5.339 1.00 0.00 H new ATOM 0 HA ARG A 114 32.869 -6.631 -5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 114 33.028 -7.858 -8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.564 -6.250 -8.320 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.276 -7.156 -6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.645 -8.781 -6.982 1.00 0.00 H new ATOM 0 HD2 ARG A 114 36.589 -8.590 -8.433 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.169 -8.684 -9.456 1.00 0.00 H new ATOM 0 HE ARG A 114 35.645 -5.921 -8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 114 37.244 -8.711 -10.507 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.109 -7.729 -11.693 1.00 0.00 H new ATOM 0 HH21 ARG A 114 36.769 -4.651 -10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 114 37.839 -5.425 -11.709 1.00 0.00 H new ATOM 439 N TRP A 115 30.067 -7.000 -6.355 1.00 0.00 N ATOM 440 CA TRP A 115 28.707 -6.565 -6.627 1.00 0.00 C ATOM 441 C TRP A 115 28.594 -5.046 -6.547 1.00 0.00 C ATOM 442 O TRP A 115 27.682 -4.470 -7.129 1.00 0.00 O ATOM 443 CB TRP A 115 27.764 -7.258 -5.647 1.00 0.00 C ATOM 444 CG TRP A 115 27.798 -8.748 -5.761 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.203 -9.604 -4.808 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.451 -9.579 -6.907 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.148 -10.902 -5.260 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.693 -10.946 -6.566 1.00 0.00 C ATOM 449 CE3 TRP A 115 26.964 -9.321 -8.210 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.478 -11.990 -7.469 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.741 -10.374 -9.120 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.006 -11.699 -8.754 1.00 0.00 C ATOM 0 H TRP A 115 30.164 -7.548 -5.500 1.00 0.00 H new ATOM 0 HA TRP A 115 28.426 -6.844 -7.642 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.030 -6.970 -4.630 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.746 -6.909 -5.821 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.528 -9.312 -3.820 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.407 -11.720 -4.708 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.760 -8.304 -8.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.674 -13.012 -7.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.363 -10.157 -10.108 1.00 0.00 H new ATOM 0 HH2 TRP A 115 26.846 -12.497 -9.464 1.00 0.00 H new ATOM 463 N SER A 116 29.524 -4.394 -5.842 1.00 0.00 N ATOM 464 CA SER A 116 29.533 -2.944 -5.745 1.00 0.00 C ATOM 465 C SER A 116 29.808 -2.341 -7.126 1.00 0.00 C ATOM 466 O SER A 116 29.242 -1.308 -7.479 1.00 0.00 O ATOM 467 CB SER A 116 30.601 -2.507 -4.740 1.00 0.00 C ATOM 468 OG SER A 116 30.285 -3.015 -3.461 1.00 0.00 O ATOM 0 H SER A 116 30.278 -4.854 -5.332 1.00 0.00 H new ATOM 0 HA SER A 116 28.563 -2.589 -5.398 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.580 -2.869 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.659 -1.419 -4.706 1.00 0.00 H new ATOM 0 HG SER A 116 30.971 -2.735 -2.819 1.00 0.00 H new ATOM 474 N VAL A 117 30.680 -2.997 -7.907 1.00 0.00 N ATOM 475 CA VAL A 117 31.030 -2.534 -9.241 1.00 0.00 C ATOM 476 C VAL A 117 29.891 -2.857 -10.208 1.00 0.00 C ATOM 477 O VAL A 117 29.457 -1.995 -10.969 1.00 0.00 O ATOM 478 CB VAL A 117 32.338 -3.204 -9.692 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.746 -2.669 -11.068 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.452 -2.903 -8.682 1.00 0.00 C ATOM 0 H VAL A 117 31.154 -3.855 -7.627 1.00 0.00 H new ATOM 0 HA VAL A 117 31.181 -1.455 -9.231 1.00 0.00 H new ATOM 0 HB VAL A 117 32.182 -4.281 -9.751 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.674 -3.147 -11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.961 -2.888 -11.791 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.895 -1.591 -11.010 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.376 -3.380 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.603 -1.825 -8.618 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.169 -3.289 -7.703 1.00 0.00 H new ATOM 490 N ILE A 118 29.409 -4.104 -10.171 1.00 0.00 N ATOM 491 CA ILE A 118 28.323 -4.546 -11.037 1.00 0.00 C ATOM 492 C ILE A 118 27.091 -3.656 -10.818 1.00 0.00 C ATOM 493 O ILE A 118 26.437 -3.252 -11.780 1.00 0.00 O ATOM 494 CB ILE A 118 28.020 -6.026 -10.737 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.182 -6.897 -11.248 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.720 -6.451 -11.430 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.196 -8.243 -10.522 1.00 0.00 C ATOM 0 H ILE A 118 29.761 -4.827 -9.543 1.00 0.00 H new ATOM 0 HA ILE A 118 28.609 -4.458 -12.085 1.00 0.00 H new ATOM 0 HB ILE A 118 27.906 -6.156 -9.661 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.081 -7.056 -12.322 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.129 -6.381 -11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.516 -7.499 -11.210 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.896 -5.837 -11.066 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.822 -6.319 -12.507 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.023 -8.848 -10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.320 -8.078 -9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.256 -8.764 -10.703 1.00 0.00 H new ATOM 509 N ALA A 119 26.782 -3.350 -9.551 1.00 0.00 N ATOM 510 CA ALA A 119 25.640 -2.512 -9.205 1.00 0.00 C ATOM 511 C ALA A 119 25.828 -1.095 -9.749 1.00 0.00 C ATOM 512 O ALA A 119 24.863 -0.468 -10.178 1.00 0.00 O ATOM 513 CB ALA A 119 25.476 -2.483 -7.687 1.00 0.00 C ATOM 0 H ALA A 119 27.316 -3.677 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 119 24.740 -2.930 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.623 -1.857 -7.425 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.310 -3.496 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.378 -2.075 -7.231 1.00 0.00 H new ATOM 519 N LYS A 120 27.071 -0.589 -9.730 1.00 0.00 N ATOM 520 CA LYS A 120 27.367 0.752 -10.229 1.00 0.00 C ATOM 521 C LYS A 120 26.912 0.885 -11.684 1.00 0.00 C ATOM 522 O LYS A 120 26.538 1.974 -12.118 1.00 0.00 O ATOM 523 CB LYS A 120 28.871 1.036 -10.103 1.00 0.00 C ATOM 524 CG LYS A 120 29.091 2.257 -9.203 1.00 0.00 C ATOM 525 CD LYS A 120 30.552 2.718 -9.281 1.00 0.00 C ATOM 526 CE LYS A 120 31.484 1.605 -8.791 1.00 0.00 C ATOM 527 NZ LYS A 120 32.852 2.114 -8.586 1.00 0.00 N ATOM 0 H LYS A 120 27.883 -1.093 -9.373 1.00 0.00 H new ATOM 0 HA LYS A 120 26.824 1.484 -9.631 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.381 0.168 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 120 29.301 1.216 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.430 3.067 -9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.835 2.009 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 120 30.802 2.986 -10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 120 30.692 3.613 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.103 1.191 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.499 0.793 -9.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 33.464 1.341 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 33.222 2.487 -9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.837 2.873 -7.875 1.00 0.00 H new ATOM 541 N HIS A 121 26.943 -0.224 -12.431 1.00 0.00 N ATOM 542 CA HIS A 121 26.531 -0.232 -13.822 1.00 0.00 C ATOM 543 C HIS A 121 25.027 -0.470 -13.895 1.00 0.00 C ATOM 544 O HIS A 121 24.324 0.219 -14.633 1.00 0.00 O ATOM 545 CB HIS A 121 27.310 -1.316 -14.566 1.00 0.00 C ATOM 546 CG HIS A 121 28.796 -1.192 -14.347 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.453 0.033 -14.349 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.777 -2.117 -14.101 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.754 -0.223 -14.113 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.021 -1.520 -13.954 1.00 0.00 N ATOM 0 H HIS A 121 27.254 -1.131 -12.083 1.00 0.00 H new ATOM 0 HA HIS A 121 26.746 0.726 -14.295 1.00 0.00 H new ATOM 0 HB2 HIS A 121 26.975 -2.298 -14.232 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.094 -1.251 -15.632 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.031 0.949 -14.500 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.603 -3.181 -14.030 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.508 0.548 -14.058 1.00 0.00 H new ATOM 558 N LEU A 122 24.531 -1.440 -13.114 1.00 0.00 N ATOM 559 CA LEU A 122 23.109 -1.733 -13.062 1.00 0.00 C ATOM 560 C LEU A 122 22.426 -0.719 -12.149 1.00 0.00 C ATOM 561 O LEU A 122 22.025 -1.051 -11.032 1.00 0.00 O ATOM 562 CB LEU A 122 22.890 -3.165 -12.551 1.00 0.00 C ATOM 563 CG LEU A 122 23.138 -4.173 -13.681 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.315 -5.567 -13.088 1.00 0.00 C ATOM 565 CD2 LEU A 122 21.945 -4.182 -14.644 1.00 0.00 C ATOM 0 H LEU A 122 25.103 -2.031 -12.511 1.00 0.00 H new ATOM 0 HA LEU A 122 22.676 -1.659 -14.060 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.562 -3.369 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.873 -3.273 -12.174 1.00 0.00 H new ATOM 0 HG LEU A 122 24.038 -3.886 -14.224 1.00 0.00 H new ATOM 0 HD11 LEU A 122 23.491 -6.284 -13.890 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.166 -5.567 -12.407 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.414 -5.847 -12.542 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.128 -4.900 -15.444 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.042 -4.465 -14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.815 -3.188 -15.072 1.00 0.00 H new ATOM 577 N LYS A 123 22.300 0.523 -12.634 1.00 0.00 N ATOM 578 CA LYS A 123 21.678 1.600 -11.878 1.00 0.00 C ATOM 579 C LYS A 123 20.200 1.282 -11.651 1.00 0.00 C ATOM 580 O LYS A 123 19.346 1.665 -12.449 1.00 0.00 O ATOM 581 CB LYS A 123 21.849 2.918 -12.641 1.00 0.00 C ATOM 582 CG LYS A 123 23.334 3.303 -12.682 1.00 0.00 C ATOM 583 CD LYS A 123 23.546 4.496 -13.621 1.00 0.00 C ATOM 584 CE LYS A 123 22.894 5.753 -13.034 1.00 0.00 C ATOM 585 NZ LYS A 123 23.247 6.948 -13.823 1.00 0.00 N ATOM 0 H LYS A 123 22.627 0.802 -13.559 1.00 0.00 H new ATOM 0 HA LYS A 123 22.158 1.699 -10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.462 2.815 -13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.272 3.707 -12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 123 23.680 3.554 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.928 2.454 -13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.612 4.666 -13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.118 4.279 -14.600 1.00 0.00 H new ATOM 0 HE2 LYS A 123 21.811 5.631 -13.016 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.217 5.886 -12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 22.794 7.786 -13.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 24.279 7.075 -13.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 22.917 6.827 -14.802 1.00 0.00 H new ATOM 599 N GLY A 124 19.912 0.573 -10.557 1.00 0.00 N ATOM 600 CA GLY A 124 18.561 0.171 -10.212 1.00 0.00 C ATOM 601 C GLY A 124 18.612 -1.039 -9.283 1.00 0.00 C ATOM 602 O GLY A 124 17.780 -1.171 -8.386 1.00 0.00 O ATOM 0 H GLY A 124 20.617 0.264 -9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 124 18.038 0.995 -9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 124 18.001 -0.073 -11.115 1.00 0.00 H new ATOM 606 N ARG A 125 19.601 -1.921 -9.504 1.00 0.00 N ATOM 607 CA ARG A 125 19.787 -3.116 -8.693 1.00 0.00 C ATOM 608 C ARG A 125 21.069 -2.963 -7.875 1.00 0.00 C ATOM 609 O ARG A 125 22.169 -3.012 -8.423 1.00 0.00 O ATOM 610 CB ARG A 125 19.861 -4.345 -9.610 1.00 0.00 C ATOM 611 CG ARG A 125 18.487 -4.609 -10.248 1.00 0.00 C ATOM 612 CD ARG A 125 17.627 -5.460 -9.305 1.00 0.00 C ATOM 613 NE ARG A 125 16.196 -5.320 -9.602 1.00 0.00 N ATOM 614 CZ ARG A 125 15.640 -5.728 -10.753 1.00 0.00 C ATOM 615 NH1 ARG A 125 16.347 -6.466 -11.608 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.377 -5.395 -11.044 1.00 0.00 N ATOM 0 H ARG A 125 20.288 -1.818 -10.251 1.00 0.00 H new ATOM 0 HA ARG A 125 18.949 -3.249 -8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.607 -4.184 -10.388 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.179 -5.217 -9.038 1.00 0.00 H new ATOM 0 HG2 ARG A 125 17.986 -3.664 -10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.612 -5.121 -11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.917 -6.507 -9.394 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.815 -5.163 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 125 15.595 -4.891 -8.898 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.310 -6.720 -11.387 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.925 -6.777 -12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 125 13.835 -4.830 -10.390 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.956 -5.706 -11.920 1.00 0.00 H new ATOM 630 N ILE A 126 20.917 -2.767 -6.559 1.00 0.00 N ATOM 631 CA ILE A 126 22.049 -2.576 -5.657 1.00 0.00 C ATOM 632 C ILE A 126 22.903 -3.846 -5.576 1.00 0.00 C ATOM 633 O ILE A 126 22.543 -4.884 -6.139 1.00 0.00 O ATOM 634 CB ILE A 126 21.529 -2.179 -4.264 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.508 -3.217 -3.765 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.870 -0.796 -4.339 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.349 -3.107 -2.247 1.00 0.00 C ATOM 0 H ILE A 126 20.009 -2.737 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 126 22.682 -1.777 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 126 22.366 -2.145 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.546 -3.057 -4.252 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.837 -4.221 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.502 -0.515 -3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.602 -0.062 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.037 -0.827 -5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.625 -3.845 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.310 -3.290 -1.766 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.999 -2.107 -1.989 1.00 0.00 H new ATOM 649 N GLY A 127 24.042 -3.753 -4.864 1.00 0.00 N ATOM 650 CA GLY A 127 24.959 -4.874 -4.695 1.00 0.00 C ATOM 651 C GLY A 127 24.379 -5.889 -3.712 1.00 0.00 C ATOM 652 O GLY A 127 24.899 -6.067 -2.613 1.00 0.00 O ATOM 0 H GLY A 127 24.343 -2.899 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.141 -5.352 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.921 -4.514 -4.331 1.00 0.00 H new ATOM 656 N LYS A 128 23.298 -6.547 -4.126 1.00 0.00 N ATOM 657 CA LYS A 128 22.608 -7.537 -3.320 1.00 0.00 C ATOM 658 C LYS A 128 21.615 -8.260 -4.224 1.00 0.00 C ATOM 659 O LYS A 128 21.570 -9.487 -4.251 1.00 0.00 O ATOM 660 CB LYS A 128 21.911 -6.834 -2.135 1.00 0.00 C ATOM 661 CG LYS A 128 20.711 -7.647 -1.617 1.00 0.00 C ATOM 662 CD LYS A 128 21.170 -9.006 -1.075 1.00 0.00 C ATOM 663 CE LYS A 128 19.949 -9.908 -0.879 1.00 0.00 C ATOM 664 NZ LYS A 128 20.348 -11.271 -0.492 1.00 0.00 N ATOM 0 H LYS A 128 22.876 -6.402 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 128 23.299 -8.268 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 128 22.627 -6.687 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 128 21.574 -5.845 -2.446 1.00 0.00 H new ATOM 0 HG2 LYS A 128 20.200 -7.090 -0.831 1.00 0.00 H new ATOM 0 HG3 LYS A 128 19.991 -7.795 -2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 128 21.872 -9.469 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 128 21.696 -8.875 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 128 19.301 -9.485 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 128 19.369 -9.944 -1.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 19.756 -11.962 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 21.346 -11.424 -0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.225 -11.391 0.534 1.00 0.00 H new ATOM 678 N GLN A 129 20.826 -7.486 -4.976 1.00 0.00 N ATOM 679 CA GLN A 129 19.858 -8.040 -5.905 1.00 0.00 C ATOM 680 C GLN A 129 20.589 -8.843 -6.980 1.00 0.00 C ATOM 681 O GLN A 129 20.134 -9.917 -7.368 1.00 0.00 O ATOM 682 CB GLN A 129 19.051 -6.895 -6.537 1.00 0.00 C ATOM 683 CG GLN A 129 17.568 -7.012 -6.159 1.00 0.00 C ATOM 684 CD GLN A 129 16.811 -7.908 -7.138 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.292 -9.134 -7.337 1.00 0.00 O flip ATOM 686 NE2 GLN A 129 15.806 -7.494 -7.705 1.00 0.00 N flip ATOM 0 H GLN A 129 20.846 -6.466 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 129 19.172 -8.705 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.444 -5.936 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.159 -6.921 -7.621 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.479 -7.416 -5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.115 -6.021 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 129 15.471 -6.548 -7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.304 -8.096 -8.358 1.00 0.00 H new ATOM 695 N CYS A 130 21.726 -8.314 -7.451 1.00 0.00 N ATOM 696 CA CYS A 130 22.538 -8.975 -8.462 1.00 0.00 C ATOM 697 C CYS A 130 23.070 -10.289 -7.900 1.00 0.00 C ATOM 698 O CYS A 130 23.038 -11.318 -8.574 1.00 0.00 O ATOM 699 CB CYS A 130 23.693 -8.053 -8.866 1.00 0.00 C ATOM 700 SG CYS A 130 23.015 -6.518 -9.548 1.00 0.00 S ATOM 0 H CYS A 130 22.101 -7.419 -7.138 1.00 0.00 H new ATOM 0 HA CYS A 130 21.936 -9.190 -9.345 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.321 -7.836 -8.002 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.326 -8.545 -9.604 1.00 0.00 H new ATOM 0 HG CYS A 130 23.989 -5.728 -9.892 1.00 0.00 H new ATOM 706 N ARG A 131 23.552 -10.254 -6.654 1.00 0.00 N ATOM 707 CA ARG A 131 24.060 -11.441 -5.993 1.00 0.00 C ATOM 708 C ARG A 131 22.940 -12.474 -5.876 1.00 0.00 C ATOM 709 O ARG A 131 23.174 -13.670 -6.064 1.00 0.00 O ATOM 710 CB ARG A 131 24.611 -11.054 -4.612 1.00 0.00 C ATOM 711 CG ARG A 131 25.246 -12.277 -3.934 1.00 0.00 C ATOM 712 CD ARG A 131 24.231 -12.952 -2.998 1.00 0.00 C ATOM 713 NE ARG A 131 24.366 -14.416 -3.035 1.00 0.00 N ATOM 714 CZ ARG A 131 25.371 -15.083 -2.439 1.00 0.00 C ATOM 715 NH1 ARG A 131 26.349 -14.414 -1.812 1.00 0.00 N ATOM 716 NH2 ARG A 131 25.393 -16.421 -2.472 1.00 0.00 N ATOM 0 H ARG A 131 23.597 -9.407 -6.087 1.00 0.00 H new ATOM 0 HA ARG A 131 24.870 -11.882 -6.574 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.352 -10.261 -4.717 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.808 -10.660 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.583 -12.987 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 131 26.126 -11.972 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 131 24.380 -12.596 -1.979 1.00 0.00 H new ATOM 0 HD3 ARG A 131 23.219 -12.670 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 131 23.661 -14.954 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 131 26.333 -13.394 -1.785 1.00 0.00 H new ATOM 0 HH12 ARG A 131 27.109 -14.925 -1.362 1.00 0.00 H new ATOM 0 HH21 ARG A 131 24.649 -16.932 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 131 26.153 -16.930 -2.021 1.00 0.00 H new ATOM 730 N GLU A 132 21.717 -12.008 -5.568 1.00 0.00 N ATOM 731 CA GLU A 132 20.570 -12.890 -5.418 1.00 0.00 C ATOM 732 C GLU A 132 19.931 -13.201 -6.781 1.00 0.00 C ATOM 733 O GLU A 132 18.825 -13.742 -6.835 1.00 0.00 O ATOM 734 CB GLU A 132 19.555 -12.259 -4.457 1.00 0.00 C ATOM 735 CG GLU A 132 18.980 -13.346 -3.543 1.00 0.00 C ATOM 736 CD GLU A 132 17.874 -12.789 -2.659 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.736 -12.705 -3.166 1.00 0.00 O ATOM 738 OE2 GLU A 132 18.189 -12.458 -1.496 1.00 0.00 O ATOM 0 H GLU A 132 21.508 -11.021 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 132 20.906 -13.837 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 132 20.035 -11.483 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.754 -11.779 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.589 -14.165 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 132 19.774 -13.760 -2.921 1.00 0.00 H new ATOM 745 N ARG A 133 20.636 -12.883 -7.875 1.00 0.00 N ATOM 746 CA ARG A 133 20.205 -13.253 -9.217 1.00 0.00 C ATOM 747 C ARG A 133 21.167 -14.316 -9.724 1.00 0.00 C ATOM 748 O ARG A 133 20.755 -15.323 -10.302 1.00 0.00 O ATOM 749 CB ARG A 133 20.219 -12.021 -10.145 1.00 0.00 C ATOM 750 CG ARG A 133 19.808 -12.411 -11.578 1.00 0.00 C ATOM 751 CD ARG A 133 18.342 -12.845 -11.618 1.00 0.00 C ATOM 752 NE ARG A 133 17.938 -13.192 -12.989 1.00 0.00 N ATOM 753 CZ ARG A 133 16.773 -13.799 -13.276 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.880 -14.016 -12.308 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.504 -14.182 -14.525 1.00 0.00 N ATOM 0 H ARG A 133 21.515 -12.365 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 133 19.185 -13.638 -9.202 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.538 -11.262 -9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.215 -11.579 -10.155 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.961 -11.566 -12.249 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.443 -13.221 -11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.194 -13.703 -10.962 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.710 -12.042 -11.240 1.00 0.00 H new ATOM 0 HE ARG A 133 18.570 -12.962 -13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.082 -13.722 -11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.996 -14.476 -12.524 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.183 -14.015 -15.267 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.619 -14.642 -14.738 1.00 0.00 H new ATOM 769 N TRP A 134 22.460 -14.071 -9.497 1.00 0.00 N ATOM 770 CA TRP A 134 23.515 -14.951 -9.941 1.00 0.00 C ATOM 771 C TRP A 134 23.516 -16.263 -9.154 1.00 0.00 C ATOM 772 O TRP A 134 23.434 -17.335 -9.744 1.00 0.00 O ATOM 773 CB TRP A 134 24.852 -14.220 -9.792 1.00 0.00 C ATOM 774 CG TRP A 134 25.912 -14.712 -10.710 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.071 -15.287 -10.352 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.921 -14.688 -12.161 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.805 -15.635 -11.460 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.134 -15.288 -12.618 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.024 -14.222 -13.145 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.429 -15.426 -13.974 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.317 -14.356 -14.505 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.513 -14.965 -14.924 1.00 0.00 C ATOM 0 H TRP A 134 22.794 -13.248 -8.996 1.00 0.00 H new ATOM 0 HA TRP A 134 23.352 -15.212 -10.987 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.695 -13.156 -9.971 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.199 -14.323 -8.764 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.384 -15.453 -9.332 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.719 -16.087 -11.432 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.098 -13.755 -12.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.356 -15.884 -14.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.618 -13.988 -15.241 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.724 -15.076 -15.977 1.00 0.00 H new ATOM 793 N HIS A 135 23.616 -16.185 -7.820 1.00 0.00 N ATOM 794 CA HIS A 135 23.686 -17.381 -6.981 1.00 0.00 C ATOM 795 C HIS A 135 22.294 -17.981 -6.742 1.00 0.00 C ATOM 796 O HIS A 135 22.053 -18.572 -5.692 1.00 0.00 O ATOM 797 CB HIS A 135 24.355 -17.020 -5.653 1.00 0.00 C ATOM 798 CG HIS A 135 25.790 -16.601 -5.826 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.855 -17.471 -5.627 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.369 -15.411 -6.183 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.980 -16.770 -5.867 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.753 -15.502 -6.212 1.00 0.00 N ATOM 0 H HIS A 135 23.650 -15.306 -7.303 1.00 0.00 H new ATOM 0 HA HIS A 135 24.278 -18.138 -7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.799 -16.212 -5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.309 -17.877 -4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.816 -14.513 -6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.970 -17.194 -5.788 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.432 -14.776 -6.441 1.00 0.00 H new ATOM 810 N ASN A 136 21.383 -17.831 -7.716 1.00 0.00 N ATOM 811 CA ASN A 136 20.033 -18.377 -7.615 1.00 0.00 C ATOM 812 C ASN A 136 19.747 -19.261 -8.812 1.00 0.00 C ATOM 813 O ASN A 136 19.496 -20.454 -8.662 1.00 0.00 O ATOM 814 CB ASN A 136 19.010 -17.237 -7.567 1.00 0.00 C ATOM 815 CG ASN A 136 18.951 -16.616 -6.187 1.00 0.00 C ATOM 816 OD1 ASN A 136 20.082 -16.111 -5.720 1.00 0.00 O flip ATOM 817 ND2 ASN A 136 17.898 -16.592 -5.554 1.00 0.00 N flip ATOM 0 H ASN A 136 21.565 -17.331 -8.586 1.00 0.00 H new ATOM 0 HA ASN A 136 19.957 -18.967 -6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.274 -16.476 -8.301 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.025 -17.616 -7.841 1.00 0.00 H new ATOM 0 HD21 ASN A 136 17.052 -16.994 -5.957 1.00 0.00 H new ATOM 0 HD22 ASN A 136 17.870 -16.170 -4.626 1.00 0.00 H new ATOM 824 N HIS A 137 19.766 -18.657 -10.002 1.00 0.00 N ATOM 825 CA HIS A 137 19.428 -19.365 -11.234 1.00 0.00 C ATOM 826 C HIS A 137 20.679 -19.735 -12.042 1.00 0.00 C ATOM 827 O HIS A 137 21.133 -20.876 -11.981 1.00 0.00 O ATOM 828 CB HIS A 137 18.470 -18.500 -12.063 1.00 0.00 C ATOM 829 CG HIS A 137 17.366 -17.908 -11.234 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.368 -18.671 -10.641 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.087 -16.619 -10.878 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.566 -17.811 -9.981 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.952 -16.537 -10.086 1.00 0.00 N ATOM 0 H HIS A 137 20.013 -17.676 -10.136 1.00 0.00 H new ATOM 0 HA HIS A 137 18.938 -20.303 -10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.032 -17.697 -12.541 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.037 -19.105 -12.860 1.00 0.00 H new ATOM 0 HD2 HIS A 137 17.679 -15.767 -11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.696 -18.122 -9.422 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.518 -15.707 -9.682 1.00 0.00 H new ATOM 841 N LEU A 138 21.218 -18.779 -12.816 1.00 0.00 N ATOM 842 CA LEU A 138 22.347 -19.038 -13.704 1.00 0.00 C ATOM 843 C LEU A 138 23.659 -18.540 -13.099 1.00 0.00 C ATOM 844 O LEU A 138 23.734 -17.426 -12.586 1.00 0.00 O ATOM 845 CB LEU A 138 22.087 -18.370 -15.066 1.00 0.00 C ATOM 846 CG LEU A 138 21.723 -16.881 -14.890 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.614 -16.025 -15.785 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.262 -16.655 -15.279 1.00 0.00 C ATOM 0 H LEU A 138 20.883 -17.816 -12.839 1.00 0.00 H new ATOM 0 HA LEU A 138 22.443 -20.115 -13.841 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.973 -18.460 -15.694 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.278 -18.888 -15.581 1.00 0.00 H new ATOM 0 HG LEU A 138 21.871 -16.601 -13.847 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.354 -14.974 -15.658 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.658 -16.177 -15.511 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.467 -16.312 -16.826 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.011 -15.602 -15.153 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.114 -16.941 -16.320 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.618 -17.261 -14.642 1.00 0.00 H new