USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 604 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 71 THR OG1 : rot 170:sc= 0.0484 USER MOD Set 1.2: A 72 ASN : amide:sc= -1.86! K(o=-1.8!,f=-0.053) USER MOD Single : A 7 SER OG : rot 27:sc= 0.156 USER MOD Single : A 11 ASN : amide:sc= -0.598 K(o=-0.6,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -160:sc= -0.0972 (180deg=-0.598) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.0267 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.0071) USER MOD Single : A 35 THR OG1 : rot -46:sc= 0.87 USER MOD Single : A 40 MET CE :methyl -159:sc= -0.0955 (180deg=-0.585) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -17:sc= 0.293 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 12:sc= 1.02 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.0066) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 1.3 (180deg=1.14) USER MOD Single : A 64 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 65 ASN : amide:sc= 1.18 K(o=1.2,f=-0.17) USER MOD Single : A 67 LYS NZ :NH3+ -152:sc= 1.06 (180deg=0.549) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc=-0.00164 (180deg=-0.0474) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -24.625 0.118 18.253 1.00 0.00 N ATOM 2 CA SER A 7 -24.509 -0.171 16.841 1.00 0.00 C ATOM 3 C SER A 7 -23.713 0.929 16.088 1.00 0.00 C ATOM 4 O SER A 7 -23.182 0.678 15.009 1.00 0.00 O ATOM 5 CB SER A 7 -25.905 -0.335 16.250 1.00 0.00 C ATOM 6 OG SER A 7 -26.655 -1.311 16.983 1.00 0.00 O ATOM 0 HA SER A 7 -23.949 -1.099 16.721 1.00 0.00 H new ATOM 0 HB2 SER A 7 -26.428 0.621 16.269 1.00 0.00 H new ATOM 0 HB3 SER A 7 -25.830 -0.637 15.205 1.00 0.00 H new ATOM 0 HG SER A 7 -26.327 -1.350 17.906 1.00 0.00 H new ATOM 12 N GLY A 8 -23.593 2.125 16.666 1.00 0.00 N ATOM 13 CA GLY A 8 -22.925 3.205 15.961 1.00 0.00 C ATOM 14 C GLY A 8 -21.571 3.573 16.530 1.00 0.00 C ATOM 15 O GLY A 8 -21.001 4.610 16.167 1.00 0.00 O ATOM 0 H GLY A 8 -23.941 2.361 17.595 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -22.802 2.921 14.916 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -23.566 4.087 15.978 1.00 0.00 H new ATOM 19 N ARG A 9 -21.035 2.739 17.398 1.00 0.00 N ATOM 20 CA ARG A 9 -19.742 3.009 17.980 1.00 0.00 C ATOM 21 C ARG A 9 -18.667 2.195 17.334 1.00 0.00 C ATOM 22 O ARG A 9 -18.340 1.105 17.790 1.00 0.00 O ATOM 23 CB ARG A 9 -19.698 2.846 19.494 1.00 0.00 C ATOM 24 CG ARG A 9 -20.413 3.932 20.272 1.00 0.00 C ATOM 25 CD ARG A 9 -20.231 3.723 21.760 1.00 0.00 C ATOM 26 NE ARG A 9 -20.855 4.779 22.562 1.00 0.00 N ATOM 27 CZ ARG A 9 -20.657 4.958 23.872 1.00 0.00 C ATOM 28 NH1 ARG A 9 -19.877 4.120 24.547 1.00 0.00 N1+ ATOM 29 NH2 ARG A 9 -21.239 5.970 24.495 1.00 0.00 N ATOM 0 H ARG A 9 -21.474 1.874 17.713 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.556 4.064 17.780 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -20.137 1.883 19.754 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.656 2.817 19.812 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.024 4.909 19.985 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -21.475 3.926 20.025 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -20.656 2.760 22.042 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.166 3.680 21.989 1.00 0.00 H new ATOM 0 HE ARG A 9 -21.486 5.424 22.086 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.429 3.340 24.066 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.726 4.257 25.546 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -21.838 6.612 23.976 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -21.089 6.108 25.494 1.00 0.00 H new ATOM 43 N GLU A 10 -18.223 2.713 16.215 1.00 0.00 N ATOM 44 CA GLU A 10 -17.113 2.245 15.426 1.00 0.00 C ATOM 45 C GLU A 10 -17.052 0.735 15.216 1.00 0.00 C ATOM 46 O GLU A 10 -16.454 -0.012 16.007 1.00 0.00 O ATOM 47 CB GLU A 10 -15.831 2.780 15.973 1.00 0.00 C ATOM 48 CG GLU A 10 -15.827 4.282 16.124 1.00 0.00 C ATOM 49 CD GLU A 10 -14.516 4.804 16.604 1.00 0.00 C ATOM 50 OE1 GLU A 10 -13.552 4.828 15.808 1.00 0.00 O ATOM 51 OE2 GLU A 10 -14.416 5.221 17.779 1.00 0.00 O1- ATOM 0 H GLU A 10 -18.663 3.535 15.802 1.00 0.00 H new ATOM 0 HA GLU A 10 -17.278 2.640 14.424 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.640 2.324 16.944 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.013 2.486 15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.068 4.741 15.165 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.610 4.576 16.824 1.00 0.00 H new ATOM 58 N ASN A 11 -17.663 0.290 14.157 1.00 0.00 N ATOM 59 CA ASN A 11 -17.721 -1.131 13.861 1.00 0.00 C ATOM 60 C ASN A 11 -17.206 -1.404 12.473 1.00 0.00 C ATOM 61 O ASN A 11 -17.240 -2.541 11.999 1.00 0.00 O ATOM 62 CB ASN A 11 -19.159 -1.661 13.969 1.00 0.00 C ATOM 63 CG ASN A 11 -19.778 -1.586 15.362 1.00 0.00 C ATOM 64 OD1 ASN A 11 -20.988 -1.432 15.499 1.00 0.00 O ATOM 65 ND2 ASN A 11 -18.977 -1.693 16.398 1.00 0.00 N ATOM 0 H ASN A 11 -18.133 0.885 13.475 1.00 0.00 H new ATOM 0 HA ASN A 11 -17.095 -1.642 14.593 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -19.789 -1.099 13.279 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -19.172 -2.700 13.639 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -19.357 -1.649 17.343 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -17.975 -1.820 16.257 1.00 0.00 H new ATOM 72 N LEU A 12 -16.712 -0.375 11.823 1.00 0.00 N ATOM 73 CA LEU A 12 -16.268 -0.515 10.461 1.00 0.00 C ATOM 74 C LEU A 12 -14.776 -0.694 10.393 1.00 0.00 C ATOM 75 O LEU A 12 -14.006 0.111 10.937 1.00 0.00 O ATOM 76 CB LEU A 12 -16.696 0.671 9.556 1.00 0.00 C ATOM 77 CG LEU A 12 -18.197 0.831 9.216 1.00 0.00 C ATOM 78 CD1 LEU A 12 -19.043 1.144 10.440 1.00 0.00 C ATOM 79 CD2 LEU A 12 -18.382 1.906 8.160 1.00 0.00 C ATOM 0 H LEU A 12 -16.609 0.561 12.215 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.759 -1.410 10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -16.364 1.592 10.036 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.150 0.586 8.617 1.00 0.00 H new ATOM 0 HG LEU A 12 -18.542 -0.127 8.827 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -20.087 1.246 10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -18.948 0.335 11.164 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -18.701 2.076 10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -19.442 2.010 7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -17.998 2.855 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -17.839 1.626 7.257 1.00 0.00 H new ATOM 91 N TYR A 13 -14.362 -1.741 9.744 1.00 0.00 N ATOM 92 CA TYR A 13 -12.964 -1.984 9.529 1.00 0.00 C ATOM 93 C TYR A 13 -12.515 -1.244 8.289 1.00 0.00 C ATOM 94 O TYR A 13 -12.569 -1.761 7.168 1.00 0.00 O ATOM 95 CB TYR A 13 -12.650 -3.479 9.434 1.00 0.00 C ATOM 96 CG TYR A 13 -12.793 -4.228 10.742 1.00 0.00 C ATOM 97 CD1 TYR A 13 -14.011 -4.770 11.139 1.00 0.00 C ATOM 98 CD2 TYR A 13 -11.699 -4.402 11.578 1.00 0.00 C ATOM 99 CE1 TYR A 13 -14.129 -5.459 12.330 1.00 0.00 C ATOM 100 CE2 TYR A 13 -11.811 -5.092 12.767 1.00 0.00 C ATOM 101 CZ TYR A 13 -13.024 -5.617 13.137 1.00 0.00 C ATOM 102 OH TYR A 13 -13.136 -6.308 14.323 1.00 0.00 O ATOM 0 H TYR A 13 -14.980 -2.450 9.349 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.409 -1.610 10.390 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.311 -3.931 8.695 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -11.631 -3.602 9.067 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.878 -4.650 10.506 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.743 -3.990 11.292 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.082 -5.871 12.627 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.948 -5.219 13.404 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.265 -6.330 14.772 1.00 0.00 H new ATOM 112 N PHE A 14 -12.175 -0.008 8.489 1.00 0.00 N ATOM 113 CA PHE A 14 -11.749 0.877 7.447 1.00 0.00 C ATOM 114 C PHE A 14 -10.844 1.883 8.118 1.00 0.00 C ATOM 115 O PHE A 14 -11.026 2.161 9.325 1.00 0.00 O ATOM 116 CB PHE A 14 -12.993 1.564 6.839 1.00 0.00 C ATOM 117 CG PHE A 14 -12.755 2.346 5.574 1.00 0.00 C ATOM 118 CD1 PHE A 14 -12.670 1.697 4.356 1.00 0.00 C ATOM 119 CD2 PHE A 14 -12.648 3.724 5.600 1.00 0.00 C ATOM 120 CE1 PHE A 14 -12.479 2.407 3.187 1.00 0.00 C ATOM 121 CE2 PHE A 14 -12.453 4.442 4.437 1.00 0.00 C ATOM 122 CZ PHE A 14 -12.370 3.783 3.229 1.00 0.00 C ATOM 0 H PHE A 14 -12.186 0.427 9.411 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.227 0.366 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.744 0.801 6.636 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -13.415 2.236 7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.754 0.621 4.318 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.718 4.246 6.543 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.415 1.887 2.242 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.366 5.518 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.220 4.342 2.317 1.00 0.00 H new ATOM 132 N GLN A 15 -9.874 2.401 7.411 1.00 0.00 N ATOM 133 CA GLN A 15 -8.951 3.329 7.998 1.00 0.00 C ATOM 134 C GLN A 15 -9.494 4.724 7.859 1.00 0.00 C ATOM 135 O GLN A 15 -9.224 5.449 6.887 1.00 0.00 O ATOM 136 CB GLN A 15 -7.543 3.188 7.422 1.00 0.00 C ATOM 137 CG GLN A 15 -6.510 4.037 8.138 1.00 0.00 C ATOM 138 CD GLN A 15 -5.104 3.793 7.649 1.00 0.00 C ATOM 139 OE1 GLN A 15 -4.764 2.692 7.208 1.00 0.00 O ATOM 140 NE2 GLN A 15 -4.282 4.795 7.720 1.00 0.00 N ATOM 0 H GLN A 15 -9.705 2.194 6.427 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.851 3.101 9.059 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.241 2.142 7.473 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.561 3.463 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.758 5.090 8.004 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.557 3.832 9.207 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.600 5.690 8.091 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.318 4.687 7.405 1.00 0.00 H new ATOM 149 N GLY A 16 -10.363 5.017 8.770 1.00 0.00 N ATOM 150 CA GLY A 16 -11.026 6.278 8.832 1.00 0.00 C ATOM 151 C GLY A 16 -12.397 6.147 8.236 1.00 0.00 C ATOM 152 O GLY A 16 -13.069 5.121 8.437 1.00 0.00 O ATOM 0 H GLY A 16 -10.638 4.371 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.097 6.614 9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.452 7.031 8.291 1.00 0.00 H new ATOM 156 N HIS A 17 -12.802 7.131 7.491 1.00 0.00 N ATOM 157 CA HIS A 17 -14.070 7.117 6.801 1.00 0.00 C ATOM 158 C HIS A 17 -14.073 8.240 5.801 1.00 0.00 C ATOM 159 O HIS A 17 -13.865 9.402 6.165 1.00 0.00 O ATOM 160 CB HIS A 17 -15.259 7.246 7.783 1.00 0.00 C ATOM 161 CG HIS A 17 -16.613 7.202 7.131 1.00 0.00 C ATOM 162 ND1 HIS A 17 -17.238 6.042 6.718 1.00 0.00 N ATOM 163 CD2 HIS A 17 -17.456 8.210 6.815 1.00 0.00 C ATOM 164 CE1 HIS A 17 -18.408 6.375 6.174 1.00 0.00 C ATOM 165 NE2 HIS A 17 -18.590 7.684 6.213 1.00 0.00 N ATOM 0 H HIS A 17 -12.258 7.981 7.339 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.193 6.161 6.292 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -15.197 6.442 8.517 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.163 8.184 8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -17.276 9.258 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -19.113 5.671 5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.399 8.202 5.870 1.00 0.00 H new ATOM 173 N MET A 18 -14.289 7.905 4.568 1.00 0.00 N ATOM 174 CA MET A 18 -14.288 8.867 3.502 1.00 0.00 C ATOM 175 C MET A 18 -15.514 8.629 2.666 1.00 0.00 C ATOM 176 O MET A 18 -15.678 7.553 2.106 1.00 0.00 O ATOM 177 CB MET A 18 -13.032 8.701 2.634 1.00 0.00 C ATOM 178 CG MET A 18 -12.868 9.760 1.559 1.00 0.00 C ATOM 179 SD MET A 18 -11.387 9.518 0.559 1.00 0.00 S ATOM 180 CE MET A 18 -10.101 9.744 1.801 1.00 0.00 C ATOM 0 H MET A 18 -14.473 6.948 4.266 1.00 0.00 H new ATOM 0 HA MET A 18 -14.289 9.877 3.911 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.154 8.717 3.280 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.060 7.720 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 18 -13.744 9.751 0.910 1.00 0.00 H new ATOM 0 HG3 MET A 18 -12.828 10.743 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 18 -9.157 9.979 1.309 1.00 0.00 H new ATOM 0 HE2 MET A 18 -10.377 10.562 2.466 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.990 8.828 2.381 1.00 0.00 H new ATOM 190 N ALA A 19 -16.352 9.618 2.552 1.00 0.00 N ATOM 191 CA ALA A 19 -17.596 9.482 1.827 1.00 0.00 C ATOM 192 C ALA A 19 -17.417 9.841 0.361 1.00 0.00 C ATOM 193 O ALA A 19 -18.387 9.994 -0.380 1.00 0.00 O ATOM 194 CB ALA A 19 -18.689 10.312 2.479 1.00 0.00 C ATOM 0 H ALA A 19 -16.199 10.542 2.955 1.00 0.00 H new ATOM 0 HA ALA A 19 -17.904 8.437 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -19.617 10.196 1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.840 9.974 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -18.396 11.362 2.482 1.00 0.00 H new ATOM 200 N ALA A 20 -16.171 9.896 -0.032 1.00 0.00 N ATOM 201 CA ALA A 20 -15.716 10.247 -1.375 1.00 0.00 C ATOM 202 C ALA A 20 -16.055 11.708 -1.723 1.00 0.00 C ATOM 203 O ALA A 20 -17.210 12.035 -2.060 1.00 0.00 O ATOM 204 CB ALA A 20 -16.246 9.282 -2.433 1.00 0.00 C ATOM 0 H ALA A 20 -15.398 9.689 0.600 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.630 10.152 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -15.882 9.583 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.900 8.273 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -17.336 9.301 -2.429 1.00 0.00 H new ATOM 210 N PRO A 21 -15.074 12.609 -1.583 1.00 0.00 N ATOM 211 CA PRO A 21 -15.251 14.037 -1.863 1.00 0.00 C ATOM 212 C PRO A 21 -15.536 14.338 -3.341 1.00 0.00 C ATOM 213 O PRO A 21 -16.616 14.818 -3.676 1.00 0.00 O ATOM 214 CB PRO A 21 -13.920 14.663 -1.438 1.00 0.00 C ATOM 215 CG PRO A 21 -13.254 13.639 -0.593 1.00 0.00 C ATOM 216 CD PRO A 21 -13.717 12.322 -1.105 1.00 0.00 C ATOM 0 HA PRO A 21 -16.116 14.434 -1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.309 14.914 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -14.080 15.587 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.169 13.724 -0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -13.520 13.765 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.077 11.953 -1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -13.717 11.563 -0.323 1.00 0.00 H new ATOM 224 N ALA A 22 -14.583 14.041 -4.216 1.00 0.00 N ATOM 225 CA ALA A 22 -14.735 14.329 -5.637 1.00 0.00 C ATOM 226 C ALA A 22 -15.740 13.389 -6.270 1.00 0.00 C ATOM 227 O ALA A 22 -15.550 12.170 -6.278 1.00 0.00 O ATOM 228 CB ALA A 22 -13.396 14.264 -6.351 1.00 0.00 C ATOM 0 H ALA A 22 -13.697 13.601 -3.967 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.116 15.345 -5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.537 14.483 -7.409 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.716 14.997 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.973 13.266 -6.240 1.00 0.00 H new ATOM 234 N ARG A 23 -16.830 13.950 -6.749 1.00 0.00 N ATOM 235 CA ARG A 23 -17.889 13.169 -7.356 1.00 0.00 C ATOM 236 C ARG A 23 -18.152 13.595 -8.795 1.00 0.00 C ATOM 237 O ARG A 23 -19.077 13.088 -9.455 1.00 0.00 O ATOM 238 CB ARG A 23 -19.161 13.236 -6.506 1.00 0.00 C ATOM 239 CG ARG A 23 -18.987 12.613 -5.128 1.00 0.00 C ATOM 240 CD ARG A 23 -20.255 12.667 -4.310 1.00 0.00 C ATOM 241 NE ARG A 23 -20.093 11.972 -3.025 1.00 0.00 N ATOM 242 CZ ARG A 23 -21.077 11.354 -2.353 1.00 0.00 C ATOM 243 NH1 ARG A 23 -22.305 11.309 -2.848 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -20.827 10.774 -1.201 1.00 0.00 N ATOM 0 H ARG A 23 -17.007 14.954 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.561 12.130 -7.392 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.462 14.278 -6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.969 12.726 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -18.672 11.575 -5.238 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.191 13.133 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.531 13.706 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.072 12.213 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.161 11.958 -2.612 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -22.509 11.746 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -23.047 10.837 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.883 10.793 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -21.577 10.305 -0.693 1.00 0.00 H new ATOM 258 N PHE A 24 -17.343 14.509 -9.284 1.00 0.00 N ATOM 259 CA PHE A 24 -17.416 14.954 -10.657 1.00 0.00 C ATOM 260 C PHE A 24 -16.010 15.117 -11.172 1.00 0.00 C ATOM 261 O PHE A 24 -15.078 15.318 -10.391 1.00 0.00 O ATOM 262 CB PHE A 24 -18.137 16.309 -10.826 1.00 0.00 C ATOM 263 CG PHE A 24 -19.543 16.391 -10.314 1.00 0.00 C ATOM 264 CD1 PHE A 24 -19.798 16.647 -8.974 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.608 16.239 -11.176 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.091 16.743 -8.509 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.900 16.334 -10.718 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.144 16.586 -9.382 1.00 0.00 C ATOM 0 H PHE A 24 -16.613 14.966 -8.737 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.987 14.206 -11.207 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.546 17.074 -10.322 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.146 16.560 -11.887 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -18.973 16.772 -8.288 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.425 16.043 -12.222 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -21.278 16.941 -7.464 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.726 16.211 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.160 16.660 -9.023 1.00 0.00 H new ATOM 278 N CYS A 25 -15.857 15.013 -12.450 1.00 0.00 N ATOM 279 CA CYS A 25 -14.603 15.219 -13.097 1.00 0.00 C ATOM 280 C CYS A 25 -14.779 16.251 -14.187 1.00 0.00 C ATOM 281 O CYS A 25 -15.842 16.314 -14.822 1.00 0.00 O ATOM 282 CB CYS A 25 -14.124 13.916 -13.705 1.00 0.00 C ATOM 283 SG CYS A 25 -13.867 12.578 -12.506 1.00 0.00 S ATOM 0 H CYS A 25 -16.617 14.777 -13.088 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.867 15.567 -12.373 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -14.851 13.587 -14.448 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.188 14.098 -14.234 1.00 0.00 H new ATOM 288 N VAL A 26 -13.782 17.072 -14.379 1.00 0.00 N ATOM 289 CA VAL A 26 -13.803 18.081 -15.419 1.00 0.00 C ATOM 290 C VAL A 26 -12.879 17.634 -16.529 1.00 0.00 C ATOM 291 O VAL A 26 -11.717 17.324 -16.276 1.00 0.00 O ATOM 292 CB VAL A 26 -13.288 19.448 -14.913 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.672 20.547 -15.867 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.758 19.757 -13.515 1.00 0.00 C ATOM 0 H VAL A 26 -12.928 17.065 -13.821 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.834 18.197 -15.753 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.200 19.386 -14.873 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.300 21.501 -15.492 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.237 20.347 -16.846 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.758 20.590 -15.954 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.369 20.727 -13.207 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.848 19.779 -13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.398 18.988 -12.832 1.00 0.00 H new ATOM 304 N TYR A 27 -13.387 17.568 -17.728 1.00 0.00 N ATOM 305 CA TYR A 27 -12.592 17.177 -18.873 1.00 0.00 C ATOM 306 C TYR A 27 -12.146 18.384 -19.634 1.00 0.00 C ATOM 307 O TYR A 27 -12.918 19.345 -19.820 1.00 0.00 O ATOM 308 CB TYR A 27 -13.351 16.223 -19.800 1.00 0.00 C ATOM 309 CG TYR A 27 -13.596 14.851 -19.213 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.435 14.670 -18.121 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.968 13.735 -19.746 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.642 13.420 -17.584 1.00 0.00 C ATOM 313 CE2 TYR A 27 -13.174 12.483 -19.211 1.00 0.00 C ATOM 314 CZ TYR A 27 -14.010 12.333 -18.129 1.00 0.00 C ATOM 315 OH TYR A 27 -14.215 11.086 -17.589 1.00 0.00 O ATOM 0 H TYR A 27 -14.360 17.782 -17.945 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.719 16.645 -18.495 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.310 16.672 -20.058 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.790 16.114 -20.728 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.933 15.524 -17.686 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.308 13.850 -20.593 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.300 13.296 -16.736 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.681 11.623 -19.639 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.113 11.042 -17.200 1.00 0.00 H new ATOM 325 N TYR A 28 -10.918 18.354 -20.048 1.00 0.00 N ATOM 326 CA TYR A 28 -10.334 19.403 -20.822 1.00 0.00 C ATOM 327 C TYR A 28 -9.630 18.818 -22.022 1.00 0.00 C ATOM 328 O TYR A 28 -9.116 17.676 -21.975 1.00 0.00 O ATOM 329 CB TYR A 28 -9.298 20.205 -20.026 1.00 0.00 C ATOM 330 CG TYR A 28 -9.784 20.923 -18.800 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.756 20.308 -17.560 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.230 22.228 -18.875 1.00 0.00 C ATOM 333 CE1 TYR A 28 -10.164 20.974 -16.435 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.645 22.900 -17.751 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.608 22.268 -16.536 1.00 0.00 C ATOM 336 OH TYR A 28 -11.011 22.936 -15.411 1.00 0.00 O ATOM 0 H TYR A 28 -10.280 17.582 -19.853 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.147 20.067 -21.117 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.501 19.525 -19.726 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.853 20.941 -20.695 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.408 19.289 -17.479 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.253 22.728 -19.832 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.136 20.483 -15.473 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.998 23.918 -17.825 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.295 23.842 -15.653 1.00 0.00 H new ATOM 346 N ASP A 29 -9.631 19.587 -23.072 1.00 0.00 N ATOM 347 CA ASP A 29 -8.906 19.293 -24.285 1.00 0.00 C ATOM 348 C ASP A 29 -7.531 19.887 -24.137 1.00 0.00 C ATOM 349 O ASP A 29 -7.366 21.113 -24.139 1.00 0.00 O ATOM 350 CB ASP A 29 -9.616 19.924 -25.487 1.00 0.00 C ATOM 351 CG ASP A 29 -8.881 19.753 -26.806 1.00 0.00 C ATOM 352 OD1 ASP A 29 -9.115 18.753 -27.502 1.00 0.00 O ATOM 353 OD2 ASP A 29 -8.109 20.666 -27.211 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.151 20.464 -23.114 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.850 18.217 -24.449 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.610 19.486 -25.579 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.753 20.988 -25.296 1.00 0.00 H new ATOM 358 N GLY A 30 -6.584 19.051 -23.910 1.00 0.00 N ATOM 359 CA GLY A 30 -5.237 19.472 -23.735 1.00 0.00 C ATOM 360 C GLY A 30 -4.716 19.061 -22.392 1.00 0.00 C ATOM 361 O GLY A 30 -5.444 19.074 -21.394 1.00 0.00 O ATOM 0 H GLY A 30 -6.721 18.043 -23.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.613 19.042 -24.518 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.175 20.555 -23.837 1.00 0.00 H new ATOM 365 N HIS A 31 -3.467 18.726 -22.357 1.00 0.00 N ATOM 366 CA HIS A 31 -2.808 18.266 -21.139 1.00 0.00 C ATOM 367 C HIS A 31 -1.802 19.313 -20.692 1.00 0.00 C ATOM 368 O HIS A 31 -0.949 19.080 -19.827 1.00 0.00 O ATOM 369 CB HIS A 31 -2.137 16.881 -21.348 1.00 0.00 C ATOM 370 CG HIS A 31 -1.006 16.828 -22.357 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.277 16.460 -22.038 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.999 17.055 -23.695 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.009 16.469 -23.143 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.284 16.825 -24.190 1.00 0.00 N ATOM 0 H HIS A 31 -2.854 18.758 -23.172 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.554 18.135 -20.355 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.754 16.538 -20.387 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.905 16.172 -21.657 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.851 17.364 -24.282 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.059 16.219 -23.183 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.597 16.913 -25.157 1.00 0.00 H new ATOM 382 N LEU A 32 -1.935 20.470 -21.279 1.00 0.00 N ATOM 383 CA LEU A 32 -1.100 21.587 -20.996 1.00 0.00 C ATOM 384 C LEU A 32 -1.998 22.691 -20.450 1.00 0.00 C ATOM 385 O LEU A 32 -2.937 23.118 -21.136 1.00 0.00 O ATOM 386 CB LEU A 32 -0.418 22.048 -22.285 1.00 0.00 C ATOM 387 CG LEU A 32 0.644 23.121 -22.132 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.847 22.569 -21.395 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.053 23.676 -23.481 1.00 0.00 C ATOM 0 H LEU A 32 -2.647 20.659 -21.984 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.326 21.332 -20.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.038 21.180 -22.761 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.185 22.419 -22.965 1.00 0.00 H new ATOM 0 HG LEU A 32 0.222 23.938 -21.547 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.601 23.350 -21.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.542 22.227 -20.406 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.265 21.733 -21.955 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.815 24.443 -23.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.455 22.873 -24.098 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.184 24.112 -23.974 1.00 0.00 H new ATOM 401 N PRO A 33 -1.735 23.180 -19.223 1.00 0.00 N ATOM 402 CA PRO A 33 -2.596 24.164 -18.545 1.00 0.00 C ATOM 403 C PRO A 33 -2.747 25.499 -19.292 1.00 0.00 C ATOM 404 O PRO A 33 -3.677 26.253 -19.029 1.00 0.00 O ATOM 405 CB PRO A 33 -1.944 24.370 -17.172 1.00 0.00 C ATOM 406 CG PRO A 33 -0.563 23.830 -17.293 1.00 0.00 C ATOM 407 CD PRO A 33 -0.579 22.799 -18.387 1.00 0.00 C ATOM 0 HA PRO A 33 -3.618 23.789 -18.488 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.929 25.426 -16.901 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.501 23.849 -16.393 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.142 24.628 -17.527 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.240 23.386 -16.351 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.348 22.811 -18.960 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.692 21.792 -17.985 1.00 0.00 H new ATOM 415 N ALA A 34 -1.854 25.782 -20.213 1.00 0.00 N ATOM 416 CA ALA A 34 -1.954 26.999 -21.012 1.00 0.00 C ATOM 417 C ALA A 34 -3.039 26.892 -22.089 1.00 0.00 C ATOM 418 O ALA A 34 -3.716 27.865 -22.384 1.00 0.00 O ATOM 419 CB ALA A 34 -0.622 27.339 -21.661 1.00 0.00 C ATOM 0 H ALA A 34 -1.050 25.194 -20.433 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.233 27.800 -20.327 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.726 28.250 -22.250 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.131 27.491 -20.888 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.314 26.520 -22.311 1.00 0.00 H new ATOM 425 N THR A 35 -3.239 25.707 -22.636 1.00 0.00 N ATOM 426 CA THR A 35 -4.143 25.570 -23.766 1.00 0.00 C ATOM 427 C THR A 35 -5.213 24.511 -23.516 1.00 0.00 C ATOM 428 O THR A 35 -5.811 23.975 -24.457 1.00 0.00 O ATOM 429 CB THR A 35 -3.343 25.253 -25.063 1.00 0.00 C ATOM 430 OG1 THR A 35 -4.212 25.215 -26.213 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.588 23.933 -24.952 1.00 0.00 C ATOM 0 H THR A 35 -2.799 24.841 -22.325 1.00 0.00 H new ATOM 0 HA THR A 35 -4.658 26.522 -23.894 1.00 0.00 H new ATOM 0 HB THR A 35 -2.618 26.057 -25.190 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.010 24.686 -26.003 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.042 23.747 -25.877 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.886 23.984 -24.120 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.296 23.122 -24.779 1.00 0.00 H new ATOM 439 N ARG A 36 -5.480 24.242 -22.274 1.00 0.00 N ATOM 440 CA ARG A 36 -6.483 23.265 -21.953 1.00 0.00 C ATOM 441 C ARG A 36 -7.867 23.902 -22.205 1.00 0.00 C ATOM 442 O ARG A 36 -8.156 24.989 -21.719 1.00 0.00 O ATOM 443 CB ARG A 36 -6.326 22.731 -20.489 1.00 0.00 C ATOM 444 CG ARG A 36 -7.006 23.559 -19.380 1.00 0.00 C ATOM 445 CD ARG A 36 -6.426 24.955 -19.233 1.00 0.00 C ATOM 446 NE ARG A 36 -7.406 25.880 -18.671 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.146 27.093 -18.162 1.00 0.00 C ATOM 448 NH1 ARG A 36 -5.897 27.527 -18.056 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -8.154 27.875 -17.785 1.00 0.00 N ATOM 0 H ARG A 36 -5.025 24.678 -21.472 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.369 22.389 -22.592 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.724 21.717 -20.451 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.262 22.665 -20.262 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.072 23.636 -19.595 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.910 23.031 -18.431 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.546 24.920 -18.591 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.096 25.318 -20.206 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.379 25.575 -18.665 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.124 26.936 -18.363 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.710 28.451 -17.667 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.116 27.550 -17.884 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.965 28.799 -17.397 1.00 0.00 H new ATOM 463 N VAL A 37 -8.655 23.298 -23.017 1.00 0.00 N ATOM 464 CA VAL A 37 -9.968 23.838 -23.298 1.00 0.00 C ATOM 465 C VAL A 37 -10.992 23.099 -22.474 1.00 0.00 C ATOM 466 O VAL A 37 -11.006 21.879 -22.467 1.00 0.00 O ATOM 467 CB VAL A 37 -10.331 23.750 -24.807 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.672 24.421 -25.097 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.231 24.363 -25.664 1.00 0.00 C ATOM 0 H VAL A 37 -8.431 22.431 -23.506 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.962 24.895 -23.034 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.422 22.695 -25.063 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.896 24.342 -26.161 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.457 23.928 -24.523 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.621 25.472 -24.814 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.506 24.290 -26.716 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.101 25.411 -25.394 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.297 23.827 -25.496 1.00 0.00 H new ATOM 479 N LEU A 38 -11.797 23.831 -21.742 1.00 0.00 N ATOM 480 CA LEU A 38 -12.845 23.253 -20.914 1.00 0.00 C ATOM 481 C LEU A 38 -13.844 22.531 -21.813 1.00 0.00 C ATOM 482 O LEU A 38 -14.405 23.136 -22.725 1.00 0.00 O ATOM 483 CB LEU A 38 -13.522 24.399 -20.085 1.00 0.00 C ATOM 484 CG LEU A 38 -14.709 24.074 -19.121 1.00 0.00 C ATOM 485 CD1 LEU A 38 -16.019 23.789 -19.852 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.362 22.928 -18.204 1.00 0.00 C ATOM 0 H LEU A 38 -11.749 24.849 -21.699 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.437 22.524 -20.213 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.741 24.872 -19.489 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.877 25.146 -20.795 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.869 24.974 -18.527 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.801 23.571 -19.125 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.304 24.661 -20.441 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.888 22.932 -20.512 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.205 22.722 -17.544 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.141 22.041 -18.798 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.489 23.191 -17.607 1.00 0.00 H new ATOM 498 N LEU A 39 -14.042 21.258 -21.574 1.00 0.00 N ATOM 499 CA LEU A 39 -14.977 20.506 -22.365 1.00 0.00 C ATOM 500 C LEU A 39 -16.286 20.294 -21.627 1.00 0.00 C ATOM 501 O LEU A 39 -17.313 20.811 -22.045 1.00 0.00 O ATOM 502 CB LEU A 39 -14.385 19.164 -22.808 1.00 0.00 C ATOM 503 CG LEU A 39 -13.176 19.232 -23.747 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.675 17.837 -24.054 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.532 19.963 -25.041 1.00 0.00 C ATOM 0 H LEU A 39 -13.570 20.726 -20.843 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.185 21.094 -23.259 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.095 18.607 -21.917 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.170 18.590 -23.301 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.385 19.790 -23.247 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.816 17.898 -24.722 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.380 17.344 -23.128 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.468 17.263 -24.534 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.658 19.998 -25.691 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.340 19.434 -25.547 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.853 20.978 -24.809 1.00 0.00 H new ATOM 517 N MET A 40 -16.251 19.586 -20.491 1.00 0.00 N ATOM 518 CA MET A 40 -17.484 19.236 -19.778 1.00 0.00 C ATOM 519 C MET A 40 -17.199 18.579 -18.455 1.00 0.00 C ATOM 520 O MET A 40 -16.076 18.144 -18.187 1.00 0.00 O ATOM 521 CB MET A 40 -18.378 18.317 -20.633 1.00 0.00 C ATOM 522 CG MET A 40 -17.698 17.037 -21.051 1.00 0.00 C ATOM 523 SD MET A 40 -18.733 15.970 -22.076 1.00 0.00 S ATOM 524 CE MET A 40 -20.024 15.516 -20.922 1.00 0.00 C ATOM 0 H MET A 40 -15.395 19.249 -20.051 1.00 0.00 H new ATOM 0 HA MET A 40 -18.013 20.170 -19.588 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.279 18.074 -20.070 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.695 18.859 -21.524 1.00 0.00 H new ATOM 0 HG2 MET A 40 -16.788 17.281 -21.599 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.396 16.488 -20.159 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.511 14.602 -21.262 1.00 0.00 H new ATOM 0 HE2 MET A 40 -19.589 15.351 -19.936 1.00 0.00 H new ATOM 0 HE3 MET A 40 -20.759 16.319 -20.864 1.00 0.00 H new ATOM 534 N TYR A 41 -18.219 18.527 -17.645 1.00 0.00 N ATOM 535 CA TYR A 41 -18.186 17.912 -16.335 1.00 0.00 C ATOM 536 C TYR A 41 -18.899 16.579 -16.415 1.00 0.00 C ATOM 537 O TYR A 41 -19.853 16.435 -17.185 1.00 0.00 O ATOM 538 CB TYR A 41 -18.913 18.799 -15.324 1.00 0.00 C ATOM 539 CG TYR A 41 -18.350 20.198 -15.174 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.738 21.221 -16.035 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.448 20.501 -14.170 1.00 0.00 C ATOM 542 CE1 TYR A 41 -18.238 22.496 -15.900 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.948 21.779 -14.025 1.00 0.00 C ATOM 544 CZ TYR A 41 -17.346 22.770 -14.892 1.00 0.00 C ATOM 545 OH TYR A 41 -16.855 24.044 -14.744 1.00 0.00 O ATOM 0 H TYR A 41 -19.129 18.923 -17.880 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.151 17.779 -16.018 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.960 18.875 -15.618 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.890 18.308 -14.351 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -19.445 21.010 -16.824 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.130 19.725 -13.489 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -18.545 23.276 -16.582 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.247 22.000 -13.234 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.237 24.070 -13.984 1.00 0.00 H new ATOM 555 N VAL A 42 -18.446 15.617 -15.651 1.00 0.00 N ATOM 556 CA VAL A 42 -19.036 14.273 -15.648 1.00 0.00 C ATOM 557 C VAL A 42 -19.153 13.774 -14.218 1.00 0.00 C ATOM 558 O VAL A 42 -18.250 13.982 -13.419 1.00 0.00 O ATOM 559 CB VAL A 42 -18.177 13.256 -16.487 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.750 11.840 -16.429 1.00 0.00 C ATOM 561 CG2 VAL A 42 -18.066 13.700 -17.935 1.00 0.00 C ATOM 0 H VAL A 42 -17.660 15.728 -15.010 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.022 14.340 -16.108 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.184 13.242 -16.039 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.126 11.171 -17.022 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.769 11.497 -15.394 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.764 11.841 -16.830 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.467 12.979 -18.492 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.062 13.761 -18.374 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.589 14.679 -17.980 1.00 0.00 H new ATOM 571 N ARG A 43 -20.262 13.143 -13.912 1.00 0.00 N ATOM 572 CA ARG A 43 -20.538 12.592 -12.611 1.00 0.00 C ATOM 573 C ARG A 43 -19.823 11.254 -12.475 1.00 0.00 C ATOM 574 O ARG A 43 -19.950 10.369 -13.345 1.00 0.00 O ATOM 575 CB ARG A 43 -22.052 12.371 -12.479 1.00 0.00 C ATOM 576 CG ARG A 43 -22.550 11.943 -11.105 1.00 0.00 C ATOM 577 CD ARG A 43 -22.345 13.050 -10.095 1.00 0.00 C ATOM 578 NE ARG A 43 -23.066 12.826 -8.840 1.00 0.00 N ATOM 579 CZ ARG A 43 -24.272 13.374 -8.560 1.00 0.00 C ATOM 580 NH1 ARG A 43 -24.949 14.023 -9.505 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -24.804 13.248 -7.351 1.00 0.00 N ATOM 0 H ARG A 43 -21.017 12.996 -14.582 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.192 13.274 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.559 13.296 -12.755 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.353 11.614 -13.204 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.608 11.685 -11.160 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.019 11.047 -10.783 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.280 13.147 -9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.671 13.995 -10.530 1.00 0.00 H new ATOM 0 HE ARG A 43 -22.636 12.224 -8.138 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.559 14.109 -10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -25.857 14.434 -9.290 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -24.304 12.735 -6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -25.713 13.664 -7.148 1.00 0.00 H new ATOM 595 N ILE A 44 -19.081 11.101 -11.426 1.00 0.00 N ATOM 596 CA ILE A 44 -18.412 9.854 -11.169 1.00 0.00 C ATOM 597 C ILE A 44 -19.454 8.795 -10.870 1.00 0.00 C ATOM 598 O ILE A 44 -20.325 8.983 -10.010 1.00 0.00 O ATOM 599 CB ILE A 44 -17.367 9.976 -10.037 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.312 11.010 -10.453 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.715 8.618 -9.742 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.214 11.223 -9.451 1.00 0.00 C ATOM 0 H ILE A 44 -18.919 11.825 -10.726 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.849 9.562 -12.056 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.859 10.303 -9.121 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.868 10.696 -11.398 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.809 11.963 -10.636 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -15.984 8.732 -8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.481 7.906 -9.435 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.217 8.251 -10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.516 11.969 -9.830 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.642 11.570 -8.511 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.686 10.284 -9.284 1.00 0.00 H new ATOM 614 N GLY A 45 -19.405 7.725 -11.622 1.00 0.00 N ATOM 615 CA GLY A 45 -20.405 6.715 -11.514 1.00 0.00 C ATOM 616 C GLY A 45 -21.289 6.697 -12.741 1.00 0.00 C ATOM 617 O GLY A 45 -22.128 5.809 -12.897 1.00 0.00 O ATOM 0 H GLY A 45 -18.679 7.538 -12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.932 5.741 -11.388 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.012 6.892 -10.626 1.00 0.00 H new ATOM 621 N THR A 46 -21.126 7.683 -13.613 1.00 0.00 N ATOM 622 CA THR A 46 -21.890 7.724 -14.843 1.00 0.00 C ATOM 623 C THR A 46 -20.966 7.685 -16.038 1.00 0.00 C ATOM 624 O THR A 46 -19.734 7.902 -15.916 1.00 0.00 O ATOM 625 CB THR A 46 -22.819 8.983 -14.946 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.055 10.203 -14.908 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.851 9.002 -13.828 1.00 0.00 C ATOM 0 H THR A 46 -20.475 8.458 -13.489 1.00 0.00 H new ATOM 0 HA THR A 46 -22.533 6.844 -14.834 1.00 0.00 H new ATOM 0 HB THR A 46 -23.334 8.917 -15.904 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.161 10.018 -14.552 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.479 9.887 -13.928 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.471 8.108 -13.890 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.343 9.025 -12.864 1.00 0.00 H new ATOM 635 N THR A 47 -21.527 7.360 -17.153 1.00 0.00 N ATOM 636 CA THR A 47 -20.836 7.415 -18.386 1.00 0.00 C ATOM 637 C THR A 47 -21.239 8.673 -19.104 1.00 0.00 C ATOM 638 O THR A 47 -22.347 9.196 -18.889 1.00 0.00 O ATOM 639 CB THR A 47 -21.133 6.205 -19.284 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.554 6.018 -19.424 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.510 4.942 -18.744 1.00 0.00 C ATOM 0 H THR A 47 -22.494 7.044 -17.229 1.00 0.00 H new ATOM 0 HA THR A 47 -19.767 7.404 -18.172 1.00 0.00 H new ATOM 0 HB THR A 47 -20.694 6.412 -20.260 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.727 5.244 -20.000 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.743 4.109 -19.407 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.429 5.067 -18.684 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.907 4.736 -17.750 1.00 0.00 H new ATOM 649 N ALA A 48 -20.378 9.161 -19.922 1.00 0.00 N ATOM 650 CA ALA A 48 -20.653 10.370 -20.668 1.00 0.00 C ATOM 651 C ALA A 48 -19.850 10.417 -21.935 1.00 0.00 C ATOM 652 O ALA A 48 -18.715 9.942 -21.984 1.00 0.00 O ATOM 653 CB ALA A 48 -20.374 11.608 -19.826 1.00 0.00 C ATOM 0 H ALA A 48 -19.463 8.748 -20.104 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.711 10.360 -20.929 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.589 12.502 -20.411 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -21.007 11.594 -18.938 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.326 11.615 -19.525 1.00 0.00 H new ATOM 659 N THR A 49 -20.434 10.969 -22.949 1.00 0.00 N ATOM 660 CA THR A 49 -19.781 11.133 -24.197 1.00 0.00 C ATOM 661 C THR A 49 -19.116 12.507 -24.249 1.00 0.00 C ATOM 662 O THR A 49 -19.792 13.543 -24.209 1.00 0.00 O ATOM 663 CB THR A 49 -20.785 11.000 -25.360 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.438 9.726 -25.298 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.086 11.128 -26.703 1.00 0.00 C ATOM 0 H THR A 49 -21.391 11.322 -22.928 1.00 0.00 H new ATOM 0 HA THR A 49 -19.026 10.354 -24.300 1.00 0.00 H new ATOM 0 HB THR A 49 -21.517 11.802 -25.263 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.243 9.300 -24.437 1.00 0.00 H new ATOM 0 HG21 THR A 49 -20.818 11.030 -27.505 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.602 12.102 -26.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.336 10.343 -26.799 1.00 0.00 H new ATOM 673 N ILE A 50 -17.820 12.501 -24.324 1.00 0.00 N ATOM 674 CA ILE A 50 -17.041 13.702 -24.439 1.00 0.00 C ATOM 675 C ILE A 50 -16.828 13.900 -25.916 1.00 0.00 C ATOM 676 O ILE A 50 -16.795 12.930 -26.665 1.00 0.00 O ATOM 677 CB ILE A 50 -15.634 13.540 -23.789 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.695 12.790 -22.444 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.961 14.901 -23.611 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.494 13.473 -21.356 1.00 0.00 C ATOM 0 H ILE A 50 -17.262 11.648 -24.307 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.553 14.528 -23.945 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.036 12.935 -24.470 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.120 11.802 -22.618 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.677 12.640 -22.084 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.980 14.765 -23.156 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.846 15.380 -24.583 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.576 15.530 -22.967 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.474 12.864 -20.453 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.060 14.450 -21.145 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.525 13.598 -21.686 1.00 0.00 H new ATOM 692 N THR A 51 -16.770 15.098 -26.348 1.00 0.00 N ATOM 693 CA THR A 51 -16.523 15.362 -27.731 1.00 0.00 C ATOM 694 C THR A 51 -15.386 16.362 -27.879 1.00 0.00 C ATOM 695 O THR A 51 -15.471 17.489 -27.403 1.00 0.00 O ATOM 696 CB THR A 51 -17.805 15.844 -28.440 1.00 0.00 C ATOM 697 OG1 THR A 51 -18.834 14.854 -28.247 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.572 16.047 -29.933 1.00 0.00 C ATOM 0 H THR A 51 -16.890 15.928 -25.767 1.00 0.00 H new ATOM 0 HA THR A 51 -16.220 14.434 -28.216 1.00 0.00 H new ATOM 0 HB THR A 51 -18.103 16.802 -28.014 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.657 15.147 -28.691 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.495 16.387 -30.402 1.00 0.00 H new ATOM 0 HG22 THR A 51 -16.793 16.795 -30.081 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.261 15.105 -30.384 1.00 0.00 H new ATOM 706 N ALA A 52 -14.313 15.920 -28.477 1.00 0.00 N ATOM 707 CA ALA A 52 -13.159 16.758 -28.702 1.00 0.00 C ATOM 708 C ALA A 52 -12.587 16.460 -30.069 1.00 0.00 C ATOM 709 O ALA A 52 -12.460 15.294 -30.444 1.00 0.00 O ATOM 710 CB ALA A 52 -12.127 16.554 -27.616 1.00 0.00 C ATOM 0 H ALA A 52 -14.211 14.966 -28.824 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.459 17.805 -28.667 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.267 17.196 -27.806 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.562 16.807 -26.649 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.808 15.512 -27.609 1.00 0.00 H new ATOM 716 N ARG A 53 -12.296 17.518 -30.819 1.00 0.00 N ATOM 717 CA ARG A 53 -11.823 17.473 -32.223 1.00 0.00 C ATOM 718 C ARG A 53 -12.857 16.787 -33.105 1.00 0.00 C ATOM 719 O ARG A 53 -12.552 16.273 -34.182 1.00 0.00 O ATOM 720 CB ARG A 53 -10.486 16.753 -32.365 1.00 0.00 C ATOM 721 CG ARG A 53 -9.373 17.307 -31.521 1.00 0.00 C ATOM 722 CD ARG A 53 -8.050 16.700 -31.940 1.00 0.00 C ATOM 723 NE ARG A 53 -8.104 15.226 -32.017 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.360 14.481 -32.858 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.423 15.059 -33.612 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -7.541 13.165 -32.927 1.00 0.00 N ATOM 0 H ARG A 53 -12.382 18.471 -30.465 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.682 18.506 -32.541 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.627 15.703 -32.109 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.181 16.788 -33.411 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.333 18.391 -31.624 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.563 17.094 -30.469 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.761 17.101 -32.911 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.277 16.996 -31.230 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.747 14.740 -31.392 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.269 16.066 -33.552 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.860 14.494 -34.248 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.245 12.716 -32.342 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.975 12.605 -33.565 1.00 0.00 H new ATOM 740 N GLY A 54 -14.080 16.847 -32.665 1.00 0.00 N ATOM 741 CA GLY A 54 -15.167 16.211 -33.365 1.00 0.00 C ATOM 742 C GLY A 54 -15.253 14.708 -33.102 1.00 0.00 C ATOM 743 O GLY A 54 -16.010 13.999 -33.774 1.00 0.00 O ATOM 0 H GLY A 54 -14.356 17.336 -31.813 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.105 16.680 -33.069 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.050 16.380 -34.435 1.00 0.00 H new ATOM 747 N HIS A 55 -14.483 14.213 -32.145 1.00 0.00 N ATOM 748 CA HIS A 55 -14.503 12.800 -31.805 1.00 0.00 C ATOM 749 C HIS A 55 -15.314 12.595 -30.546 1.00 0.00 C ATOM 750 O HIS A 55 -15.180 13.366 -29.582 1.00 0.00 O ATOM 751 CB HIS A 55 -13.088 12.250 -31.535 1.00 0.00 C ATOM 752 CG HIS A 55 -12.108 12.308 -32.667 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.527 11.197 -33.232 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.536 13.368 -33.271 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.639 11.607 -34.129 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.603 12.921 -34.194 1.00 0.00 N ATOM 0 H HIS A 55 -13.835 14.771 -31.589 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.937 12.273 -32.655 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.666 12.799 -30.693 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.183 11.210 -31.222 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.768 14.403 -33.068 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.026 10.949 -34.727 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.012 13.492 -34.798 1.00 0.00 H new ATOM 764 N GLU A 56 -16.141 11.586 -30.551 1.00 0.00 N ATOM 765 CA GLU A 56 -16.899 11.199 -29.403 1.00 0.00 C ATOM 766 C GLU A 56 -16.099 10.194 -28.593 1.00 0.00 C ATOM 767 O GLU A 56 -15.539 9.249 -29.146 1.00 0.00 O ATOM 768 CB GLU A 56 -18.227 10.536 -29.797 1.00 0.00 C ATOM 769 CG GLU A 56 -19.280 11.453 -30.377 1.00 0.00 C ATOM 770 CD GLU A 56 -18.979 11.979 -31.750 1.00 0.00 C ATOM 771 OE1 GLU A 56 -18.874 11.175 -32.699 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -18.885 13.201 -31.913 1.00 0.00 O ATOM 0 H GLU A 56 -16.307 11.002 -31.370 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.110 12.100 -28.827 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.017 9.751 -30.524 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.643 10.050 -28.915 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.228 10.917 -30.410 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.415 12.298 -29.702 1.00 0.00 H new ATOM 779 N PHE A 57 -16.018 10.406 -27.325 1.00 0.00 N ATOM 780 CA PHE A 57 -15.373 9.505 -26.428 1.00 0.00 C ATOM 781 C PHE A 57 -16.365 9.136 -25.351 1.00 0.00 C ATOM 782 O PHE A 57 -16.749 9.991 -24.563 1.00 0.00 O ATOM 783 CB PHE A 57 -14.167 10.187 -25.782 1.00 0.00 C ATOM 784 CG PHE A 57 -13.156 10.718 -26.757 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.203 9.886 -27.320 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.171 12.056 -27.120 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.283 10.379 -28.224 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.260 12.551 -28.020 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.315 11.714 -28.575 1.00 0.00 C ATOM 0 H PHE A 57 -16.408 11.231 -26.870 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.033 8.620 -26.966 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.521 11.010 -25.160 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.675 9.475 -25.119 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.179 8.841 -27.049 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.909 12.717 -26.689 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.541 9.723 -28.655 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.283 13.596 -28.293 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.600 12.103 -29.285 1.00 0.00 H new ATOM 799 N GLU A 58 -16.820 7.911 -25.342 1.00 0.00 N ATOM 800 CA GLU A 58 -17.745 7.480 -24.318 1.00 0.00 C ATOM 801 C GLU A 58 -16.903 7.041 -23.134 1.00 0.00 C ATOM 802 O GLU A 58 -16.208 6.013 -23.188 1.00 0.00 O ATOM 803 CB GLU A 58 -18.592 6.315 -24.827 1.00 0.00 C ATOM 804 CG GLU A 58 -19.784 5.937 -23.948 1.00 0.00 C ATOM 805 CD GLU A 58 -20.971 6.870 -24.093 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.063 7.874 -23.372 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.859 6.589 -24.941 1.00 0.00 O ATOM 0 H GLU A 58 -16.570 7.196 -26.025 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.427 8.283 -24.039 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.961 6.564 -25.822 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.950 5.441 -24.934 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.098 4.923 -24.195 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.466 5.927 -22.905 1.00 0.00 H new ATOM 814 N VAL A 59 -16.921 7.822 -22.105 1.00 0.00 N ATOM 815 CA VAL A 59 -16.101 7.576 -20.960 1.00 0.00 C ATOM 816 C VAL A 59 -16.947 7.071 -19.831 1.00 0.00 C ATOM 817 O VAL A 59 -18.145 7.360 -19.764 1.00 0.00 O ATOM 818 CB VAL A 59 -15.339 8.864 -20.485 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.512 9.467 -21.603 1.00 0.00 C ATOM 820 CG2 VAL A 59 -16.287 9.911 -19.905 1.00 0.00 C ATOM 0 H VAL A 59 -17.507 8.654 -22.032 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.359 6.832 -21.250 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.664 8.547 -19.690 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.999 10.356 -21.237 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.777 8.739 -21.945 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.165 9.740 -22.432 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.716 10.784 -19.590 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -17.012 10.206 -20.664 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.811 9.491 -19.047 1.00 0.00 H new ATOM 830 N GLU A 60 -16.358 6.309 -18.986 1.00 0.00 N ATOM 831 CA GLU A 60 -16.993 5.874 -17.808 1.00 0.00 C ATOM 832 C GLU A 60 -16.204 6.396 -16.610 1.00 0.00 C ATOM 833 O GLU A 60 -15.034 6.067 -16.417 1.00 0.00 O ATOM 834 CB GLU A 60 -17.179 4.346 -17.786 1.00 0.00 C ATOM 835 CG GLU A 60 -15.923 3.525 -17.903 1.00 0.00 C ATOM 836 CD GLU A 60 -16.192 2.033 -17.815 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.369 1.491 -16.685 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -16.275 1.365 -18.859 1.00 0.00 O ATOM 0 H GLU A 60 -15.404 5.966 -19.099 1.00 0.00 H new ATOM 0 HA GLU A 60 -18.003 6.281 -17.763 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.681 4.075 -16.857 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.847 4.070 -18.602 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.435 3.747 -18.852 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.230 3.813 -17.113 1.00 0.00 H new ATOM 845 N ALA A 61 -16.823 7.251 -15.851 1.00 0.00 N ATOM 846 CA ALA A 61 -16.164 7.848 -14.693 1.00 0.00 C ATOM 847 C ALA A 61 -16.119 6.835 -13.555 1.00 0.00 C ATOM 848 O ALA A 61 -17.171 6.445 -13.016 1.00 0.00 O ATOM 849 CB ALA A 61 -16.871 9.122 -14.278 1.00 0.00 C ATOM 0 H ALA A 61 -17.783 7.560 -16.000 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.140 8.116 -14.955 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.366 9.553 -13.414 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.851 9.834 -15.103 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.905 8.896 -14.019 1.00 0.00 H new ATOM 855 N LYS A 62 -14.907 6.394 -13.213 1.00 0.00 N ATOM 856 CA LYS A 62 -14.725 5.290 -12.276 1.00 0.00 C ATOM 857 C LYS A 62 -14.404 5.719 -10.854 1.00 0.00 C ATOM 858 O LYS A 62 -15.129 5.393 -9.917 1.00 0.00 O ATOM 859 CB LYS A 62 -13.542 4.433 -12.734 1.00 0.00 C ATOM 860 CG LYS A 62 -13.580 3.972 -14.172 1.00 0.00 C ATOM 861 CD LYS A 62 -14.772 3.085 -14.474 1.00 0.00 C ATOM 862 CE LYS A 62 -14.732 1.755 -13.745 1.00 0.00 C ATOM 863 NZ LYS A 62 -15.947 0.969 -14.041 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.037 6.787 -13.573 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.677 4.759 -12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.625 5.001 -12.579 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.485 3.554 -12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.606 4.843 -14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.662 3.429 -14.399 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.686 3.613 -14.203 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.817 2.902 -15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.847 1.195 -14.046 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.653 1.924 -12.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.812 -0.012 -13.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.760 1.386 -13.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.126 0.979 -15.065 1.00 0.00 H new ATOM 877 N ASP A 63 -13.327 6.453 -10.702 1.00 0.00 N ATOM 878 CA ASP A 63 -12.760 6.710 -9.395 1.00 0.00 C ATOM 879 C ASP A 63 -12.704 8.197 -9.098 1.00 0.00 C ATOM 880 O ASP A 63 -12.591 9.009 -10.021 1.00 0.00 O ATOM 881 CB ASP A 63 -11.357 6.086 -9.375 1.00 0.00 C ATOM 882 CG ASP A 63 -10.612 6.267 -8.087 1.00 0.00 C ATOM 883 OD1 ASP A 63 -10.797 5.463 -7.141 1.00 0.00 O1- ATOM 884 OD2 ASP A 63 -9.807 7.193 -8.005 1.00 0.00 O ATOM 0 H ASP A 63 -12.820 6.887 -11.474 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.385 6.267 -8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.445 5.019 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.769 6.520 -10.184 1.00 0.00 H new ATOM 889 N GLN A 64 -12.738 8.538 -7.807 1.00 0.00 N ATOM 890 CA GLN A 64 -12.756 9.929 -7.312 1.00 0.00 C ATOM 891 C GLN A 64 -11.476 10.697 -7.633 1.00 0.00 C ATOM 892 O GLN A 64 -11.401 11.896 -7.431 1.00 0.00 O ATOM 893 CB GLN A 64 -13.012 9.964 -5.802 1.00 0.00 C ATOM 894 CG GLN A 64 -11.897 9.364 -4.967 1.00 0.00 C ATOM 895 CD GLN A 64 -12.228 9.349 -3.500 1.00 0.00 C ATOM 896 OE1 GLN A 64 -11.929 10.286 -2.770 1.00 0.00 O ATOM 897 NE2 GLN A 64 -12.857 8.303 -3.058 1.00 0.00 N ATOM 0 H GLN A 64 -12.754 7.846 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.572 10.426 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -13.164 10.999 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.938 9.429 -5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.701 8.346 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -10.981 9.933 -5.125 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.090 7.541 -3.695 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -13.118 8.243 -2.074 1.00 0.00 H new ATOM 906 N ASN A 65 -10.471 10.013 -8.131 1.00 0.00 N ATOM 907 CA ASN A 65 -9.230 10.675 -8.481 1.00 0.00 C ATOM 908 C ASN A 65 -9.241 10.987 -9.959 1.00 0.00 C ATOM 909 O ASN A 65 -8.228 11.368 -10.551 1.00 0.00 O ATOM 910 CB ASN A 65 -8.021 9.817 -8.112 1.00 0.00 C ATOM 911 CG ASN A 65 -7.885 9.585 -6.611 1.00 0.00 C ATOM 912 OD1 ASN A 65 -7.261 10.373 -5.896 1.00 0.00 O ATOM 913 ND2 ASN A 65 -8.454 8.511 -6.124 1.00 0.00 N ATOM 0 H ASN A 65 -10.485 9.008 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.148 11.603 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.100 8.854 -8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.116 10.298 -8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.388 8.307 -5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.963 7.879 -6.742 1.00 0.00 H new ATOM 920 N CYS A 66 -10.415 10.809 -10.535 1.00 0.00 N ATOM 921 CA CYS A 66 -10.709 11.067 -11.917 1.00 0.00 C ATOM 922 C CYS A 66 -9.805 10.364 -12.873 1.00 0.00 C ATOM 923 O CYS A 66 -8.918 10.952 -13.484 1.00 0.00 O ATOM 924 CB CYS A 66 -10.874 12.544 -12.218 1.00 0.00 C ATOM 925 SG CYS A 66 -12.320 13.248 -11.382 1.00 0.00 S ATOM 0 H CYS A 66 -11.224 10.463 -10.019 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.687 10.617 -12.088 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.978 13.080 -11.906 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -10.972 12.686 -13.294 1.00 0.00 H new ATOM 930 N LYS A 67 -9.971 9.078 -12.913 1.00 0.00 N ATOM 931 CA LYS A 67 -9.294 8.255 -13.859 1.00 0.00 C ATOM 932 C LYS A 67 -10.229 7.973 -14.973 1.00 0.00 C ATOM 933 O LYS A 67 -11.336 7.438 -14.772 1.00 0.00 O ATOM 934 CB LYS A 67 -8.728 6.991 -13.222 1.00 0.00 C ATOM 935 CG LYS A 67 -7.282 7.040 -12.671 1.00 0.00 C ATOM 936 CD LYS A 67 -6.973 8.323 -11.934 1.00 0.00 C ATOM 937 CE LYS A 67 -6.234 9.268 -12.843 1.00 0.00 C ATOM 938 NZ LYS A 67 -6.055 10.618 -12.266 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.588 8.567 -12.281 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.422 8.779 -14.250 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.388 6.705 -12.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.776 6.193 -13.963 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.126 6.196 -12.000 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.580 6.924 -13.497 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.897 8.786 -11.587 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.372 8.110 -11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.256 8.847 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.776 9.352 -13.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.995 11.318 -13.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.865 10.844 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.180 10.643 -11.705 1.00 0.00 H new ATOM 952 N VAL A 68 -9.820 8.383 -16.109 1.00 0.00 N ATOM 953 CA VAL A 68 -10.625 8.314 -17.287 1.00 0.00 C ATOM 954 C VAL A 68 -10.405 7.026 -18.082 1.00 0.00 C ATOM 955 O VAL A 68 -9.398 6.839 -18.783 1.00 0.00 O ATOM 956 CB VAL A 68 -10.493 9.597 -18.174 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.037 9.934 -18.484 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.310 9.462 -19.455 1.00 0.00 C ATOM 0 H VAL A 68 -8.896 8.787 -16.262 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.659 8.280 -16.945 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.897 10.429 -17.597 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.995 10.831 -19.102 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.498 10.109 -17.553 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.577 9.103 -19.019 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.201 10.367 -20.053 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.953 8.605 -20.026 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.361 9.318 -19.203 1.00 0.00 H new ATOM 968 N ILE A 69 -11.325 6.127 -17.909 1.00 0.00 N ATOM 969 CA ILE A 69 -11.363 4.910 -18.648 1.00 0.00 C ATOM 970 C ILE A 69 -12.603 4.977 -19.514 1.00 0.00 C ATOM 971 O ILE A 69 -13.646 5.441 -19.060 1.00 0.00 O ATOM 972 CB ILE A 69 -11.405 3.619 -17.732 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.114 3.442 -16.909 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.633 2.362 -18.561 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.953 4.364 -15.718 1.00 0.00 C ATOM 0 H ILE A 69 -12.085 6.224 -17.235 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.449 4.817 -19.234 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.239 3.765 -17.045 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.071 2.412 -16.554 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.261 3.586 -17.573 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.657 1.492 -17.904 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.582 2.443 -19.091 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.823 2.250 -19.282 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.010 4.149 -15.216 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.955 5.400 -16.057 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.778 4.208 -15.023 1.00 0.00 H new ATOM 987 N LEU A 70 -12.491 4.608 -20.757 1.00 0.00 N ATOM 988 CA LEU A 70 -13.623 4.619 -21.620 1.00 0.00 C ATOM 989 C LEU A 70 -14.417 3.375 -21.396 1.00 0.00 C ATOM 990 O LEU A 70 -13.979 2.443 -20.728 1.00 0.00 O ATOM 991 CB LEU A 70 -13.252 4.651 -23.103 1.00 0.00 C ATOM 992 CG LEU A 70 -12.199 5.634 -23.560 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.957 5.506 -25.057 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.538 7.056 -23.184 1.00 0.00 C ATOM 0 H LEU A 70 -11.622 4.296 -21.191 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.182 5.525 -21.384 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.917 3.652 -23.383 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.162 4.853 -23.668 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.276 5.383 -23.037 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.196 6.223 -25.365 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.618 4.496 -25.286 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.884 5.708 -25.594 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.750 7.723 -23.535 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.485 7.338 -23.645 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.624 7.135 -22.100 1.00 0.00 H new ATOM 1006 N THR A 71 -15.491 3.311 -22.081 1.00 0.00 N ATOM 1007 CA THR A 71 -16.420 2.196 -22.008 1.00 0.00 C ATOM 1008 C THR A 71 -15.817 1.006 -22.715 1.00 0.00 C ATOM 1009 O THR A 71 -16.143 -0.150 -22.449 1.00 0.00 O ATOM 1010 CB THR A 71 -17.724 2.582 -22.685 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.399 3.211 -23.944 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.514 3.537 -21.805 1.00 0.00 C ATOM 0 H THR A 71 -15.779 4.040 -22.733 1.00 0.00 H new ATOM 0 HA THR A 71 -16.615 1.944 -20.966 1.00 0.00 H new ATOM 0 HB THR A 71 -18.339 1.698 -22.852 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.216 3.325 -24.473 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.446 3.805 -22.303 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.737 3.055 -20.853 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.926 4.438 -21.626 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.862 1.322 -23.565 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.141 0.354 -24.358 1.00 0.00 C ATOM 1022 C ASN A 72 -13.117 -0.355 -23.476 1.00 0.00 C ATOM 1023 O ASN A 72 -12.500 -1.340 -23.879 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.404 1.046 -25.533 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.293 1.761 -26.581 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -13.950 1.788 -27.760 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -15.394 2.368 -26.181 1.00 0.00 N ATOM 0 H ASN A 72 -14.560 2.283 -23.726 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.853 -0.364 -24.764 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.711 1.777 -25.118 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.805 0.296 -26.049 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.974 2.869 -26.854 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.665 2.336 -25.198 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.911 0.187 -22.274 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.984 -0.385 -21.333 1.00 0.00 C ATOM 1036 C GLY A 73 -10.624 0.206 -21.523 1.00 0.00 C ATOM 1037 O GLY A 73 -9.653 -0.196 -20.881 1.00 0.00 O ATOM 0 H GLY A 73 -13.384 1.027 -21.941 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.329 -0.202 -20.315 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.940 -1.466 -21.466 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.561 1.197 -22.378 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.321 1.811 -22.730 1.00 0.00 C ATOM 1043 C LYS A 74 -9.280 3.173 -22.141 1.00 0.00 C ATOM 1044 O LYS A 74 -10.308 3.759 -21.920 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.177 1.873 -24.248 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.228 0.513 -24.932 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.078 -0.387 -24.495 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.217 -1.801 -25.055 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.262 -1.831 -26.535 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.375 1.596 -22.846 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.490 1.223 -22.339 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.970 2.501 -24.652 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.231 2.356 -24.493 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.176 0.027 -24.703 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.192 0.649 -26.013 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.133 0.044 -24.827 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.044 -0.429 -23.406 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.380 -2.408 -24.709 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.125 -2.256 -24.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.271 -2.818 -26.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.122 -1.348 -26.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.424 -1.348 -26.918 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.127 3.657 -21.866 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.999 4.962 -21.294 1.00 0.00 C ATOM 1065 C GLN A 75 -7.977 6.028 -22.362 1.00 0.00 C ATOM 1066 O GLN A 75 -7.934 5.728 -23.567 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.808 5.049 -20.344 1.00 0.00 C ATOM 1068 CG GLN A 75 -7.008 4.204 -19.098 1.00 0.00 C ATOM 1069 CD GLN A 75 -5.856 4.260 -18.130 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -4.702 4.436 -18.518 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -6.151 4.121 -16.868 1.00 0.00 N ATOM 0 H GLN A 75 -7.245 3.171 -22.026 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.884 5.149 -20.686 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.907 4.722 -20.862 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.650 6.088 -20.055 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -7.914 4.534 -18.589 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.169 3.168 -19.396 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.120 3.977 -16.584 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.413 4.157 -16.165 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.020 7.241 -21.929 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.100 8.372 -22.782 1.00 0.00 C ATOM 1082 C ALA A 76 -6.729 8.769 -23.303 1.00 0.00 C ATOM 1083 O ALA A 76 -5.711 8.494 -22.666 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.726 9.527 -22.024 1.00 0.00 C ATOM 0 H ALA A 76 -8.000 7.479 -20.937 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.719 8.116 -23.642 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.789 10.398 -22.676 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.727 9.247 -21.695 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.113 9.767 -21.156 1.00 0.00 H new ATOM 1090 N PRO A 77 -6.700 9.390 -24.487 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.477 9.934 -25.085 1.00 0.00 C ATOM 1092 C PRO A 77 -4.844 10.970 -24.169 1.00 0.00 C ATOM 1093 O PRO A 77 -5.538 11.563 -23.338 1.00 0.00 O ATOM 1094 CB PRO A 77 -5.959 10.598 -26.381 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.448 10.593 -26.344 1.00 0.00 C ATOM 1096 CD PRO A 77 -7.873 9.578 -25.334 1.00 0.00 C ATOM 0 HA PRO A 77 -4.721 9.167 -25.256 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.578 11.617 -26.457 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.593 10.055 -27.252 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.827 11.580 -26.078 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.854 10.349 -27.326 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.728 9.928 -24.756 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.171 8.645 -25.811 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.549 11.197 -24.339 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.744 12.109 -23.491 1.00 0.00 C ATOM 1106 C ASP A 78 -3.388 13.456 -23.348 1.00 0.00 C ATOM 1107 O ASP A 78 -3.447 14.030 -22.264 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.354 12.330 -24.100 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.473 11.122 -24.073 1.00 0.00 C ATOM 1110 OD1 ASP A 78 0.211 10.907 -23.058 1.00 0.00 O ATOM 1111 OD2 ASP A 78 -0.415 10.373 -25.084 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.005 10.752 -25.079 1.00 0.00 H new ATOM 0 HA ASP A 78 -2.670 11.631 -22.514 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.470 12.658 -25.133 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.859 13.139 -23.563 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.887 13.931 -24.447 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.465 15.238 -24.539 1.00 0.00 C ATOM 1118 C TRP A 79 -5.859 15.323 -23.906 1.00 0.00 C ATOM 1119 O TRP A 79 -6.304 16.393 -23.549 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.480 15.680 -25.995 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.225 14.772 -26.913 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.710 13.738 -27.604 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.611 14.824 -27.236 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.672 13.157 -28.378 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.856 13.802 -28.166 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.667 15.640 -26.833 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.108 13.577 -28.707 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.907 15.413 -27.366 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.122 14.392 -28.296 1.00 0.00 C ATOM 0 H TRP A 79 -3.905 13.411 -25.324 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.844 15.921 -23.960 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.920 16.675 -26.054 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.451 15.765 -26.346 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.681 13.414 -27.553 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.530 12.370 -29.011 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.510 16.433 -26.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.277 12.788 -29.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.736 16.035 -27.062 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.113 14.245 -28.698 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.536 14.216 -23.763 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.844 14.248 -23.171 1.00 0.00 C ATOM 1142 C LEU A 80 -7.667 14.063 -21.688 1.00 0.00 C ATOM 1143 O LEU A 80 -7.275 12.986 -21.233 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.753 13.167 -23.768 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.195 13.139 -23.238 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.896 14.466 -23.500 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.980 11.995 -23.863 1.00 0.00 C ATOM 0 H LEU A 80 -6.208 13.292 -24.044 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.332 15.201 -23.377 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.786 13.303 -24.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.299 12.194 -23.583 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.151 12.979 -22.161 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.915 14.421 -23.116 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.354 15.269 -22.999 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.921 14.659 -24.573 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.998 11.996 -23.472 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.007 12.121 -24.945 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.499 11.048 -23.620 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.923 15.101 -20.938 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.627 15.063 -19.531 1.00 0.00 C ATOM 1161 C ALA A 81 -8.856 15.288 -18.700 1.00 0.00 C ATOM 1162 O ALA A 81 -9.758 16.019 -19.099 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.558 16.091 -19.193 1.00 0.00 C ATOM 0 H ALA A 81 -8.331 15.974 -21.272 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.251 14.068 -19.295 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.342 16.053 -18.125 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.650 15.870 -19.755 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.915 17.087 -19.456 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.891 14.655 -17.558 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.971 14.798 -16.621 1.00 0.00 C ATOM 1171 C ALA A 82 -9.391 14.968 -15.242 1.00 0.00 C ATOM 1172 O ALA A 82 -8.545 14.180 -14.831 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.865 13.571 -16.656 1.00 0.00 C ATOM 0 H ALA A 82 -8.159 14.016 -17.249 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.571 15.669 -16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.679 13.693 -15.941 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.277 13.450 -17.658 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.282 12.688 -16.394 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.825 15.972 -14.540 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.349 16.241 -13.227 1.00 0.00 C ATOM 1181 C GLU A 83 -10.515 16.413 -12.254 1.00 0.00 C ATOM 1182 O GLU A 83 -11.612 16.820 -12.664 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.359 17.428 -13.217 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.807 18.660 -13.978 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.745 19.735 -13.972 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -6.573 19.435 -14.291 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -8.055 20.912 -13.674 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.528 16.632 -14.872 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.779 15.380 -12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.169 17.711 -12.182 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.410 17.090 -13.634 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.043 18.387 -15.006 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.723 19.050 -13.533 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.299 16.021 -10.986 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.303 16.066 -9.911 1.00 0.00 C ATOM 1196 C PRO A 84 -12.018 17.411 -9.763 1.00 0.00 C ATOM 1197 O PRO A 84 -11.387 18.493 -9.779 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.462 15.805 -8.664 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.352 14.967 -9.125 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.026 15.468 -10.494 1.00 0.00 C ATOM 0 HA PRO A 84 -12.107 15.355 -10.103 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.099 16.737 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.044 15.300 -7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.493 15.051 -8.460 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -9.636 13.915 -9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.246 16.228 -10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.665 14.665 -11.137 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.313 17.338 -9.622 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.127 18.479 -9.370 1.00 0.00 C ATOM 1210 C TYR A 85 -14.783 18.295 -8.018 1.00 0.00 C ATOM 1211 O TYR A 85 -15.775 17.554 -7.920 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.177 18.661 -10.468 1.00 0.00 C ATOM 1213 CG TYR A 85 -16.047 19.894 -10.311 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -15.599 21.136 -10.730 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.318 19.815 -9.757 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -16.389 22.257 -10.603 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -18.107 20.932 -9.627 1.00 0.00 C ATOM 1218 CZ TYR A 85 -17.639 22.148 -10.051 1.00 0.00 C ATOM 1219 OH TYR A 85 -18.431 23.264 -9.925 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.282 18.867 -7.032 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.835 16.464 -9.681 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.513 19.380 -9.368 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.671 18.710 -11.432 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.818 17.780 -10.489 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.614 21.227 -11.163 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.693 18.859 -9.423 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -16.025 23.218 -10.937 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.092 20.852 -9.192 1.00 0.00 H new ATOM 0 HH TYR A 85 -19.286 23.014 -9.516 1.00 0.00 H new TER 1230 TYR A 85