USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 176:sc= 1.64 USER MOD Set 1.2: A 72 ASN : amide:sc= -3.18! C(o=-1.5!,f=-0.82!) USER MOD Single : A 7 SER OG : rot 180:sc= 0.225 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,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=-0.7) USER MOD Single : A 17 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 18 MET CE :methyl -135:sc= 0 (180deg=-1.51!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0929 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.222 USER MOD Single : A 40 MET CE :methyl 168:sc= -0.315 (180deg=-0.512) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0279 K(o=-0.028,f=-2.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -104:sc= 0.36 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -150:sc= 1.21 (180deg=1.12) USER MOD Single : A 64 GLN : amide:sc= -0.608 K(o=-0.61,f=-2.3) USER MOD Single : A 65 ASN : amide:sc= 0.105 K(o=0.11,f=-3.3!) USER MOD Single : A 67 LYS NZ :NH3+ 174:sc= 1.23 (180deg=1.21) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.831 K(o=-0.83,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 7 -11.584 -12.358 -10.600 1.00 0.00 N ATOM 2 CA SER A 7 -11.924 -12.234 -9.193 1.00 0.00 C ATOM 3 C SER A 7 -12.690 -10.927 -9.085 1.00 0.00 C ATOM 4 O SER A 7 -13.163 -10.406 -10.105 1.00 0.00 O ATOM 5 CB SER A 7 -10.626 -12.228 -8.348 1.00 0.00 C ATOM 6 OG SER A 7 -10.882 -12.262 -6.942 1.00 0.00 O ATOM 0 HA SER A 7 -12.527 -13.062 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 7 -10.015 -13.088 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.047 -11.336 -8.586 1.00 0.00 H new ATOM 0 HG SER A 7 -10.032 -12.258 -6.455 1.00 0.00 H new ATOM 12 N GLY A 8 -12.823 -10.410 -7.894 1.00 0.00 N ATOM 13 CA GLY A 8 -13.512 -9.179 -7.704 1.00 0.00 C ATOM 14 C GLY A 8 -12.704 -8.290 -6.812 1.00 0.00 C ATOM 15 O GLY A 8 -12.133 -8.764 -5.833 1.00 0.00 O ATOM 0 H GLY A 8 -12.458 -10.831 -7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.681 -8.692 -8.664 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.492 -9.362 -7.263 1.00 0.00 H new ATOM 19 N ARG A 9 -12.584 -7.039 -7.174 1.00 0.00 N ATOM 20 CA ARG A 9 -11.913 -6.091 -6.326 1.00 0.00 C ATOM 21 C ARG A 9 -12.960 -5.215 -5.669 1.00 0.00 C ATOM 22 O ARG A 9 -13.712 -4.493 -6.333 1.00 0.00 O ATOM 23 CB ARG A 9 -10.721 -5.351 -7.015 1.00 0.00 C ATOM 24 CG ARG A 9 -10.968 -4.585 -8.325 1.00 0.00 C ATOM 25 CD ARG A 9 -11.751 -3.291 -8.147 1.00 0.00 C ATOM 26 NE ARG A 9 -11.068 -2.320 -7.275 1.00 0.00 N ATOM 27 CZ ARG A 9 -11.676 -1.555 -6.346 1.00 0.00 C ATOM 28 NH1 ARG A 9 -12.948 -1.775 -6.006 1.00 0.00 N ATOM 29 NH2 ARG A 9 -10.991 -0.607 -5.719 1.00 0.00 N ATOM 0 H ARG A 9 -12.942 -6.655 -8.048 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.385 -6.615 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.314 -4.643 -6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.944 -6.091 -7.209 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.008 -4.356 -8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.508 -5.232 -9.016 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.920 -2.838 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.731 -3.520 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.059 -2.219 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -13.472 -2.529 -6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.396 -1.189 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.006 -0.458 -5.940 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.449 -0.027 -5.016 1.00 0.00 H new ATOM 43 N GLU A 10 -13.050 -5.332 -4.376 1.00 0.00 N ATOM 44 CA GLU A 10 -14.043 -4.643 -3.595 1.00 0.00 C ATOM 45 C GLU A 10 -13.325 -3.976 -2.461 1.00 0.00 C ATOM 46 O GLU A 10 -12.169 -4.293 -2.179 1.00 0.00 O ATOM 47 CB GLU A 10 -15.023 -5.631 -2.956 1.00 0.00 C ATOM 48 CG GLU A 10 -15.750 -6.579 -3.892 1.00 0.00 C ATOM 49 CD GLU A 10 -16.788 -5.903 -4.744 1.00 0.00 C ATOM 50 OE1 GLU A 10 -17.880 -5.576 -4.226 1.00 0.00 O ATOM 51 OE2 GLU A 10 -16.596 -5.747 -5.947 1.00 0.00 O ATOM 0 H GLU A 10 -12.426 -5.919 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.583 -3.950 -4.240 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.476 -6.228 -2.226 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.770 -5.060 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.022 -7.067 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.228 -7.362 -3.304 1.00 0.00 H new ATOM 58 N ASN A 11 -14.010 -3.096 -1.804 1.00 0.00 N ATOM 59 CA ASN A 11 -13.495 -2.427 -0.642 1.00 0.00 C ATOM 60 C ASN A 11 -14.646 -2.258 0.319 1.00 0.00 C ATOM 61 O ASN A 11 -15.747 -1.890 -0.090 1.00 0.00 O ATOM 62 CB ASN A 11 -12.832 -1.089 -1.019 1.00 0.00 C ATOM 63 CG ASN A 11 -12.435 -0.234 0.174 1.00 0.00 C ATOM 64 OD1 ASN A 11 -11.345 -0.384 0.739 1.00 0.00 O ATOM 65 ND2 ASN A 11 -13.292 0.695 0.541 1.00 0.00 N ATOM 0 H ASN A 11 -14.957 -2.814 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 11 -12.708 -3.013 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.944 -1.292 -1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -13.518 -0.521 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.066 1.320 1.315 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.182 0.790 0.052 1.00 0.00 H new ATOM 72 N LEU A 12 -14.426 -2.607 1.562 1.00 0.00 N ATOM 73 CA LEU A 12 -15.457 -2.486 2.559 1.00 0.00 C ATOM 74 C LEU A 12 -15.065 -1.384 3.501 1.00 0.00 C ATOM 75 O LEU A 12 -13.933 -1.355 4.003 1.00 0.00 O ATOM 76 CB LEU A 12 -15.718 -3.786 3.361 1.00 0.00 C ATOM 77 CG LEU A 12 -14.542 -4.382 4.158 1.00 0.00 C ATOM 78 CD1 LEU A 12 -15.059 -5.258 5.287 1.00 0.00 C ATOM 79 CD2 LEU A 12 -13.662 -5.235 3.259 1.00 0.00 C ATOM 0 H LEU A 12 -13.540 -2.978 1.907 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.389 -2.268 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -16.532 -3.592 4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -16.070 -4.546 2.663 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.962 -3.552 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.217 -5.672 5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -15.676 -4.660 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -15.656 -6.071 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.838 -5.646 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.252 -6.050 2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.264 -4.621 2.451 1.00 0.00 H new ATOM 91 N TYR A 13 -15.955 -0.465 3.729 1.00 0.00 N ATOM 92 CA TYR A 13 -15.639 0.581 4.648 1.00 0.00 C ATOM 93 C TYR A 13 -16.078 0.189 6.043 1.00 0.00 C ATOM 94 O TYR A 13 -17.259 0.249 6.394 1.00 0.00 O ATOM 95 CB TYR A 13 -16.204 1.949 4.246 1.00 0.00 C ATOM 96 CG TYR A 13 -15.815 3.038 5.226 1.00 0.00 C ATOM 97 CD1 TYR A 13 -16.655 3.382 6.273 1.00 0.00 C ATOM 98 CD2 TYR A 13 -14.597 3.700 5.123 1.00 0.00 C ATOM 99 CE1 TYR A 13 -16.305 4.344 7.182 1.00 0.00 C ATOM 100 CE2 TYR A 13 -14.240 4.674 6.036 1.00 0.00 C ATOM 101 CZ TYR A 13 -15.104 4.988 7.066 1.00 0.00 C ATOM 102 OH TYR A 13 -14.770 5.954 7.989 1.00 0.00 O ATOM 0 H TYR A 13 -16.881 -0.418 3.303 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.556 0.704 4.629 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.843 2.211 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -17.291 1.888 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.606 2.880 6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.921 3.450 4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -16.977 4.594 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.293 5.185 5.945 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.886 6.320 7.775 1.00 0.00 H new ATOM 112 N PHE A 14 -15.136 -0.292 6.795 1.00 0.00 N ATOM 113 CA PHE A 14 -15.338 -0.557 8.187 1.00 0.00 C ATOM 114 C PHE A 14 -14.682 0.615 8.877 1.00 0.00 C ATOM 115 O PHE A 14 -13.678 1.129 8.364 1.00 0.00 O ATOM 116 CB PHE A 14 -14.668 -1.881 8.586 1.00 0.00 C ATOM 117 CG PHE A 14 -14.854 -2.259 10.033 1.00 0.00 C ATOM 118 CD1 PHE A 14 -16.035 -2.842 10.458 1.00 0.00 C ATOM 119 CD2 PHE A 14 -13.848 -2.032 10.964 1.00 0.00 C ATOM 120 CE1 PHE A 14 -16.214 -3.188 11.781 1.00 0.00 C ATOM 121 CE2 PHE A 14 -14.022 -2.378 12.289 1.00 0.00 C ATOM 122 CZ PHE A 14 -15.206 -2.956 12.698 1.00 0.00 C ATOM 0 H PHE A 14 -14.199 -0.513 6.458 1.00 0.00 H new ATOM 0 HA PHE A 14 -16.390 -0.661 8.453 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -15.066 -2.679 7.960 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -13.601 -1.813 8.375 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.825 -3.028 9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.920 -1.580 10.648 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -17.141 -3.640 12.100 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -13.233 -2.197 13.004 1.00 0.00 H new ATOM 0 HZ PHE A 14 -15.345 -3.227 13.734 1.00 0.00 H new ATOM 132 N GLN A 15 -15.230 1.078 9.977 1.00 0.00 N ATOM 133 CA GLN A 15 -14.626 2.195 10.662 1.00 0.00 C ATOM 134 C GLN A 15 -13.456 1.684 11.453 1.00 0.00 C ATOM 135 O GLN A 15 -13.578 1.256 12.604 1.00 0.00 O ATOM 136 CB GLN A 15 -15.623 2.904 11.556 1.00 0.00 C ATOM 137 CG GLN A 15 -16.803 3.431 10.783 1.00 0.00 C ATOM 138 CD GLN A 15 -17.877 4.015 11.665 1.00 0.00 C ATOM 139 OE1 GLN A 15 -18.065 3.614 12.815 1.00 0.00 O ATOM 140 NE2 GLN A 15 -18.607 4.958 11.134 1.00 0.00 N ATOM 0 H GLN A 15 -16.076 0.707 10.409 1.00 0.00 H new ATOM 0 HA GLN A 15 -14.288 2.930 9.932 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -15.973 2.216 12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -15.128 3.729 12.068 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -16.460 4.195 10.085 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -17.230 2.623 10.188 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -18.425 5.267 10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -19.359 5.386 11.674 1.00 0.00 H new ATOM 149 N GLY A 16 -12.346 1.670 10.789 1.00 0.00 N ATOM 150 CA GLY A 16 -11.136 1.207 11.379 1.00 0.00 C ATOM 151 C GLY A 16 -10.281 2.363 11.776 1.00 0.00 C ATOM 152 O GLY A 16 -10.525 3.501 11.343 1.00 0.00 O ATOM 0 H GLY A 16 -12.254 1.980 9.822 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.360 0.594 12.252 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.598 0.573 10.674 1.00 0.00 H new ATOM 156 N HIS A 17 -9.306 2.099 12.595 1.00 0.00 N ATOM 157 CA HIS A 17 -8.396 3.126 13.039 1.00 0.00 C ATOM 158 C HIS A 17 -7.458 3.451 11.897 1.00 0.00 C ATOM 159 O HIS A 17 -6.751 2.563 11.397 1.00 0.00 O ATOM 160 CB HIS A 17 -7.640 2.708 14.302 1.00 0.00 C ATOM 161 CG HIS A 17 -8.508 2.546 15.520 1.00 0.00 C ATOM 162 ND1 HIS A 17 -8.223 3.100 16.742 1.00 0.00 N ATOM 163 CD2 HIS A 17 -9.659 1.849 15.692 1.00 0.00 C ATOM 164 CE1 HIS A 17 -9.179 2.731 17.600 1.00 0.00 C ATOM 165 NE2 HIS A 17 -10.082 1.965 17.008 1.00 0.00 N ATOM 0 H HIS A 17 -9.115 1.172 12.975 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.956 4.020 13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.127 1.766 14.109 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -6.872 3.452 14.514 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.168 1.289 14.922 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -9.211 3.020 18.640 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -10.912 1.549 17.430 1.00 0.00 H new ATOM 173 N MET A 18 -7.499 4.710 11.481 1.00 0.00 N ATOM 174 CA MET A 18 -6.756 5.225 10.332 1.00 0.00 C ATOM 175 C MET A 18 -5.281 4.832 10.360 1.00 0.00 C ATOM 176 O MET A 18 -4.625 4.914 11.404 1.00 0.00 O ATOM 177 CB MET A 18 -6.891 6.757 10.257 1.00 0.00 C ATOM 178 CG MET A 18 -6.070 7.398 9.144 1.00 0.00 C ATOM 179 SD MET A 18 -6.542 6.804 7.509 1.00 0.00 S ATOM 180 CE MET A 18 -5.238 7.538 6.518 1.00 0.00 C ATOM 0 H MET A 18 -8.064 5.422 11.944 1.00 0.00 H new ATOM 0 HA MET A 18 -7.192 4.771 9.442 1.00 0.00 H new ATOM 0 HB2 MET A 18 -7.941 7.012 10.113 1.00 0.00 H new ATOM 0 HB3 MET A 18 -6.587 7.185 11.212 1.00 0.00 H new ATOM 0 HG2 MET A 18 -6.193 8.480 9.183 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.013 7.191 9.311 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.669 7.984 5.622 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.730 8.309 7.098 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.522 6.768 6.232 1.00 0.00 H new ATOM 190 N ALA A 19 -4.781 4.393 9.221 1.00 0.00 N ATOM 191 CA ALA A 19 -3.387 4.048 9.078 1.00 0.00 C ATOM 192 C ALA A 19 -2.612 5.350 8.961 1.00 0.00 C ATOM 193 O ALA A 19 -2.785 6.103 8.003 1.00 0.00 O ATOM 194 CB ALA A 19 -3.174 3.166 7.855 1.00 0.00 C ATOM 0 H ALA A 19 -5.332 4.267 8.372 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.038 3.478 9.939 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.117 2.917 7.765 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.754 2.250 7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.498 3.699 6.961 1.00 0.00 H new ATOM 200 N ALA A 20 -1.802 5.624 9.949 1.00 0.00 N ATOM 201 CA ALA A 20 -1.069 6.864 10.008 1.00 0.00 C ATOM 202 C ALA A 20 0.198 6.749 9.190 1.00 0.00 C ATOM 203 O ALA A 20 0.683 5.638 8.970 1.00 0.00 O ATOM 204 CB ALA A 20 -0.705 7.181 11.452 1.00 0.00 C ATOM 0 H ALA A 20 -1.631 4.997 10.735 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.692 7.663 9.606 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.151 8.119 11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.615 7.272 12.045 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.088 6.379 11.856 1.00 0.00 H new ATOM 210 N PRO A 21 0.727 7.874 8.681 1.00 0.00 N ATOM 211 CA PRO A 21 2.020 7.898 7.999 1.00 0.00 C ATOM 212 C PRO A 21 3.123 7.494 8.985 1.00 0.00 C ATOM 213 O PRO A 21 3.696 8.313 9.699 1.00 0.00 O ATOM 214 CB PRO A 21 2.167 9.361 7.584 1.00 0.00 C ATOM 215 CG PRO A 21 0.785 9.888 7.553 1.00 0.00 C ATOM 216 CD PRO A 21 0.089 9.205 8.680 1.00 0.00 C ATOM 0 HA PRO A 21 2.090 7.214 7.153 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.784 9.913 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.645 9.449 6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.772 10.971 7.679 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.301 9.672 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.236 9.727 9.625 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.987 9.141 8.515 1.00 0.00 H new ATOM 224 N ALA A 22 3.369 6.213 9.040 1.00 0.00 N ATOM 225 CA ALA A 22 4.229 5.596 10.035 1.00 0.00 C ATOM 226 C ALA A 22 5.626 5.288 9.542 1.00 0.00 C ATOM 227 O ALA A 22 6.247 4.321 9.986 1.00 0.00 O ATOM 228 CB ALA A 22 3.561 4.325 10.475 1.00 0.00 C ATOM 0 H ALA A 22 2.970 5.545 8.380 1.00 0.00 H new ATOM 0 HA ALA A 22 4.358 6.307 10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.178 3.830 11.225 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.585 4.556 10.903 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.434 3.665 9.617 1.00 0.00 H new ATOM 234 N ARG A 23 6.131 6.130 8.665 1.00 0.00 N ATOM 235 CA ARG A 23 7.486 6.001 8.105 1.00 0.00 C ATOM 236 C ARG A 23 7.678 4.710 7.304 1.00 0.00 C ATOM 237 O ARG A 23 8.804 4.344 6.981 1.00 0.00 O ATOM 238 CB ARG A 23 8.575 6.059 9.190 1.00 0.00 C ATOM 239 CG ARG A 23 8.671 7.346 9.985 1.00 0.00 C ATOM 240 CD ARG A 23 9.719 7.181 11.067 1.00 0.00 C ATOM 241 NE ARG A 23 9.913 8.378 11.884 1.00 0.00 N ATOM 242 CZ ARG A 23 9.751 8.424 13.206 1.00 0.00 C ATOM 243 NH1 ARG A 23 9.072 7.461 13.836 1.00 0.00 N ATOM 244 NH2 ARG A 23 10.204 9.469 13.885 1.00 0.00 N ATOM 0 H ARG A 23 5.618 6.936 8.309 1.00 0.00 H new ATOM 0 HA ARG A 23 7.590 6.855 7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.405 5.239 9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.539 5.879 8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.935 8.175 9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.705 7.587 10.430 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.433 6.352 11.715 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.668 6.910 10.604 1.00 0.00 H new ATOM 0 HE ARG A 23 10.191 9.237 11.409 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.675 6.686 13.305 1.00 0.00 H new ATOM 0 HH12 ARG A 23 8.951 7.501 14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.673 10.231 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.083 9.511 14.897 1.00 0.00 H new ATOM 258 N SER A 24 6.617 4.020 6.950 1.00 0.00 N ATOM 259 CA SER A 24 6.754 2.800 6.187 1.00 0.00 C ATOM 260 C SER A 24 5.517 2.532 5.348 1.00 0.00 C ATOM 261 O SER A 24 4.403 2.777 5.809 1.00 0.00 O ATOM 262 CB SER A 24 7.002 1.624 7.134 1.00 0.00 C ATOM 263 OG SER A 24 8.200 1.804 7.878 1.00 0.00 O ATOM 0 H SER A 24 5.657 4.280 7.176 1.00 0.00 H new ATOM 0 HA SER A 24 7.602 2.915 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.159 1.520 7.817 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.063 0.699 6.561 1.00 0.00 H new ATOM 0 HG SER A 24 8.332 1.039 8.476 1.00 0.00 H new ATOM 269 N CYS A 25 5.730 2.015 4.148 1.00 0.00 N ATOM 270 CA CYS A 25 4.686 1.613 3.251 1.00 0.00 C ATOM 271 C CYS A 25 4.732 0.115 3.265 1.00 0.00 C ATOM 272 O CYS A 25 5.798 -0.499 3.182 1.00 0.00 O ATOM 273 CB CYS A 25 4.900 2.148 1.835 1.00 0.00 C ATOM 274 SG CYS A 25 4.723 3.953 1.697 1.00 0.00 S ATOM 0 H CYS A 25 6.666 1.864 3.771 1.00 0.00 H new ATOM 0 HA CYS A 25 3.720 2.010 3.564 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.896 1.863 1.496 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.186 1.670 1.164 1.00 0.00 H new ATOM 279 N VAL A 26 3.598 -0.459 3.441 1.00 0.00 N ATOM 280 CA VAL A 26 3.469 -1.864 3.665 1.00 0.00 C ATOM 281 C VAL A 26 2.757 -2.443 2.480 1.00 0.00 C ATOM 282 O VAL A 26 1.717 -1.933 2.073 1.00 0.00 O ATOM 283 CB VAL A 26 2.669 -2.047 4.957 1.00 0.00 C ATOM 284 CG1 VAL A 26 2.764 -3.422 5.521 1.00 0.00 C ATOM 285 CG2 VAL A 26 3.158 -1.070 5.955 1.00 0.00 C ATOM 0 H VAL A 26 2.709 0.041 3.434 1.00 0.00 H new ATOM 0 HA VAL A 26 4.429 -2.369 3.774 1.00 0.00 H new ATOM 0 HB VAL A 26 1.618 -1.883 4.717 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.174 -3.482 6.435 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.382 -4.140 4.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.806 -3.652 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.598 -1.187 6.883 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.217 -1.244 6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.020 -0.059 5.572 1.00 0.00 H new ATOM 295 N TYR A 27 3.334 -3.472 1.925 1.00 0.00 N ATOM 296 CA TYR A 27 2.858 -4.026 0.688 1.00 0.00 C ATOM 297 C TYR A 27 2.026 -5.251 0.919 1.00 0.00 C ATOM 298 O TYR A 27 2.397 -6.151 1.692 1.00 0.00 O ATOM 299 CB TYR A 27 4.024 -4.274 -0.275 1.00 0.00 C ATOM 300 CG TYR A 27 4.677 -2.974 -0.689 1.00 0.00 C ATOM 301 CD1 TYR A 27 4.433 -2.419 -1.929 1.00 0.00 C ATOM 302 CD2 TYR A 27 5.497 -2.276 0.185 1.00 0.00 C ATOM 303 CE1 TYR A 27 4.987 -1.205 -2.286 1.00 0.00 C ATOM 304 CE2 TYR A 27 6.054 -1.071 -0.169 1.00 0.00 C ATOM 305 CZ TYR A 27 5.795 -0.537 -1.402 1.00 0.00 C ATOM 306 OH TYR A 27 6.345 0.672 -1.751 1.00 0.00 O ATOM 0 H TYR A 27 4.146 -3.950 2.316 1.00 0.00 H new ATOM 0 HA TYR A 27 2.200 -3.298 0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.762 -4.919 0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.664 -4.801 -1.159 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.800 -2.942 -2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.702 -2.687 1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.784 -0.783 -3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.695 -0.546 0.524 1.00 0.00 H new ATOM 0 HH TYR A 27 6.890 1.010 -1.010 1.00 0.00 H new ATOM 316 N TYR A 28 0.888 -5.258 0.276 1.00 0.00 N ATOM 317 CA TYR A 28 -0.054 -6.314 0.375 1.00 0.00 C ATOM 318 C TYR A 28 -0.465 -6.765 -0.997 1.00 0.00 C ATOM 319 O TYR A 28 -0.478 -5.990 -1.951 1.00 0.00 O ATOM 320 CB TYR A 28 -1.310 -5.865 1.110 1.00 0.00 C ATOM 321 CG TYR A 28 -1.108 -5.453 2.545 1.00 0.00 C ATOM 322 CD1 TYR A 28 -1.216 -6.384 3.562 1.00 0.00 C ATOM 323 CD2 TYR A 28 -0.810 -4.143 2.886 1.00 0.00 C ATOM 324 CE1 TYR A 28 -1.034 -6.032 4.878 1.00 0.00 C ATOM 325 CE2 TYR A 28 -0.627 -3.788 4.199 1.00 0.00 C ATOM 326 CZ TYR A 28 -0.737 -4.727 5.190 1.00 0.00 C ATOM 327 OH TYR A 28 -0.550 -4.352 6.497 1.00 0.00 O ATOM 0 H TYR A 28 0.594 -4.504 -0.345 1.00 0.00 H new ATOM 0 HA TYR A 28 0.423 -7.125 0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.748 -5.027 0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.037 -6.677 1.082 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.448 -7.410 3.317 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.721 -3.395 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.123 -6.773 5.659 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.395 -2.764 4.452 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.347 -3.394 6.537 1.00 0.00 H new ATOM 337 N ASP A 29 -0.763 -8.017 -1.070 1.00 0.00 N ATOM 338 CA ASP A 29 -1.313 -8.648 -2.248 1.00 0.00 C ATOM 339 C ASP A 29 -2.784 -8.785 -1.956 1.00 0.00 C ATOM 340 O ASP A 29 -3.149 -9.516 -1.035 1.00 0.00 O ATOM 341 CB ASP A 29 -0.691 -10.036 -2.368 1.00 0.00 C ATOM 342 CG ASP A 29 -1.159 -10.898 -3.535 1.00 0.00 C ATOM 343 OD1 ASP A 29 -2.369 -11.089 -3.746 1.00 0.00 O ATOM 344 OD2 ASP A 29 -0.307 -11.502 -4.212 1.00 0.00 O ATOM 0 H ASP A 29 -0.631 -8.662 -0.291 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.127 -8.091 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.390 -9.919 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.889 -10.579 -1.444 1.00 0.00 H new ATOM 349 N GLY A 30 -3.616 -8.031 -2.622 1.00 0.00 N ATOM 350 CA GLY A 30 -5.023 -8.181 -2.355 1.00 0.00 C ATOM 351 C GLY A 30 -5.930 -7.450 -3.294 1.00 0.00 C ATOM 352 O GLY A 30 -5.672 -6.318 -3.701 1.00 0.00 O ATOM 0 H GLY A 30 -3.362 -7.336 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.272 -9.242 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.223 -7.837 -1.340 1.00 0.00 H new ATOM 356 N HIS A 31 -7.008 -8.111 -3.614 1.00 0.00 N ATOM 357 CA HIS A 31 -8.056 -7.550 -4.442 1.00 0.00 C ATOM 358 C HIS A 31 -9.056 -6.881 -3.518 1.00 0.00 C ATOM 359 O HIS A 31 -9.712 -5.907 -3.872 1.00 0.00 O ATOM 360 CB HIS A 31 -8.759 -8.630 -5.271 1.00 0.00 C ATOM 361 CG HIS A 31 -7.894 -9.331 -6.283 1.00 0.00 C ATOM 362 ND1 HIS A 31 -8.019 -9.181 -7.648 1.00 0.00 N ATOM 363 CD2 HIS A 31 -6.893 -10.226 -6.106 1.00 0.00 C ATOM 364 CE1 HIS A 31 -7.115 -9.965 -8.237 1.00 0.00 C ATOM 365 NE2 HIS A 31 -6.406 -10.622 -7.347 1.00 0.00 N ATOM 0 H HIS A 31 -7.192 -9.066 -3.307 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.623 -6.836 -5.143 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.171 -9.376 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.601 -8.174 -5.791 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.530 -10.577 -5.151 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.983 -10.049 -9.306 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -5.653 -11.286 -7.529 1.00 0.00 H new ATOM 373 N LEU A 32 -9.138 -7.401 -2.310 1.00 0.00 N ATOM 374 CA LEU A 32 -10.008 -6.869 -1.295 1.00 0.00 C ATOM 375 C LEU A 32 -9.098 -6.549 -0.137 1.00 0.00 C ATOM 376 O LEU A 32 -8.063 -7.206 0.019 1.00 0.00 O ATOM 377 CB LEU A 32 -10.962 -7.943 -0.738 1.00 0.00 C ATOM 378 CG LEU A 32 -11.639 -8.907 -1.699 1.00 0.00 C ATOM 379 CD1 LEU A 32 -12.489 -9.890 -0.921 1.00 0.00 C ATOM 380 CD2 LEU A 32 -12.486 -8.189 -2.716 1.00 0.00 C ATOM 0 H LEU A 32 -8.596 -8.211 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.581 -6.038 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.400 -8.538 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.747 -7.428 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.857 -9.439 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.973 -10.580 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.858 -10.451 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.249 -9.348 -0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.950 -8.917 -3.382 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.261 -7.618 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.860 -7.512 -3.298 1.00 0.00 H new ATOM 392 N PRO A 33 -9.451 -5.597 0.726 1.00 0.00 N ATOM 393 CA PRO A 33 -8.712 -5.378 1.971 1.00 0.00 C ATOM 394 C PRO A 33 -8.969 -6.546 2.940 1.00 0.00 C ATOM 395 O PRO A 33 -8.381 -6.643 4.006 1.00 0.00 O ATOM 396 CB PRO A 33 -9.288 -4.072 2.520 1.00 0.00 C ATOM 397 CG PRO A 33 -10.626 -3.945 1.885 1.00 0.00 C ATOM 398 CD PRO A 33 -10.528 -4.609 0.542 1.00 0.00 C ATOM 0 HA PRO A 33 -7.633 -5.322 1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.368 -4.102 3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.651 -3.224 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.392 -4.420 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.907 -2.897 1.780 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.467 -5.086 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -10.286 -3.893 -0.243 1.00 0.00 H new ATOM 406 N ALA A 34 -9.849 -7.447 2.531 1.00 0.00 N ATOM 407 CA ALA A 34 -10.158 -8.632 3.300 1.00 0.00 C ATOM 408 C ALA A 34 -9.257 -9.784 2.852 1.00 0.00 C ATOM 409 O ALA A 34 -9.109 -10.775 3.560 1.00 0.00 O ATOM 410 CB ALA A 34 -11.624 -9.000 3.138 1.00 0.00 C ATOM 0 H ALA A 34 -10.367 -7.373 1.655 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.975 -8.433 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -11.841 -9.894 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.247 -8.177 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.837 -9.194 2.087 1.00 0.00 H new ATOM 416 N THR A 35 -8.649 -9.645 1.676 1.00 0.00 N ATOM 417 CA THR A 35 -7.768 -10.668 1.144 1.00 0.00 C ATOM 418 C THR A 35 -6.342 -10.150 1.006 1.00 0.00 C ATOM 419 O THR A 35 -5.520 -10.745 0.318 1.00 0.00 O ATOM 420 CB THR A 35 -8.279 -11.220 -0.209 1.00 0.00 C ATOM 421 OG1 THR A 35 -8.602 -10.154 -1.127 1.00 0.00 O ATOM 422 CG2 THR A 35 -9.489 -12.117 -0.006 1.00 0.00 C ATOM 0 H THR A 35 -8.755 -8.828 1.075 1.00 0.00 H new ATOM 0 HA THR A 35 -7.767 -11.491 1.859 1.00 0.00 H new ATOM 0 HB THR A 35 -7.472 -11.810 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.920 -10.535 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.830 -12.492 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 -9.217 -12.956 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.290 -11.547 0.465 1.00 0.00 H new ATOM 430 N ARG A 36 -6.052 -9.047 1.688 1.00 0.00 N ATOM 431 CA ARG A 36 -4.727 -8.473 1.654 1.00 0.00 C ATOM 432 C ARG A 36 -3.751 -9.359 2.410 1.00 0.00 C ATOM 433 O ARG A 36 -3.958 -9.703 3.582 1.00 0.00 O ATOM 434 CB ARG A 36 -4.704 -7.011 2.137 1.00 0.00 C ATOM 435 CG ARG A 36 -5.321 -6.747 3.500 1.00 0.00 C ATOM 436 CD ARG A 36 -5.272 -5.263 3.853 1.00 0.00 C ATOM 437 NE ARG A 36 -6.186 -4.940 4.953 1.00 0.00 N ATOM 438 CZ ARG A 36 -6.558 -3.710 5.327 1.00 0.00 C ATOM 439 NH1 ARG A 36 -5.965 -2.636 4.834 1.00 0.00 N ATOM 440 NH2 ARG A 36 -7.510 -3.558 6.238 1.00 0.00 N ATOM 0 H ARG A 36 -6.720 -8.539 2.268 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.403 -8.434 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.668 -6.673 2.158 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.224 -6.398 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.355 -7.090 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.790 -7.321 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.255 -4.988 4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.533 -4.671 2.976 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.573 -5.723 5.480 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.210 -2.736 4.156 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.263 -1.707 5.132 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.956 -4.377 6.651 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.796 -2.622 6.525 1.00 0.00 H new ATOM 454 N VAL A 37 -2.721 -9.757 1.713 1.00 0.00 N ATOM 455 CA VAL A 37 -1.713 -10.638 2.237 1.00 0.00 C ATOM 456 C VAL A 37 -0.480 -9.804 2.432 1.00 0.00 C ATOM 457 O VAL A 37 -0.025 -9.163 1.484 1.00 0.00 O ATOM 458 CB VAL A 37 -1.392 -11.797 1.252 1.00 0.00 C ATOM 459 CG1 VAL A 37 -0.352 -12.753 1.827 1.00 0.00 C ATOM 460 CG2 VAL A 37 -2.652 -12.555 0.864 1.00 0.00 C ATOM 0 H VAL A 37 -2.556 -9.473 0.747 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.062 -11.090 3.165 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.972 -11.345 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.154 -13.549 1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.571 -12.209 2.029 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.728 -13.185 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.395 -13.359 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.113 -12.976 1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.353 -11.873 0.382 1.00 0.00 H new ATOM 470 N LEU A 38 0.008 -9.752 3.650 1.00 0.00 N ATOM 471 CA LEU A 38 1.193 -8.994 3.952 1.00 0.00 C ATOM 472 C LEU A 38 2.400 -9.593 3.268 1.00 0.00 C ATOM 473 O LEU A 38 2.738 -10.761 3.476 1.00 0.00 O ATOM 474 CB LEU A 38 1.444 -8.907 5.448 1.00 0.00 C ATOM 475 CG LEU A 38 2.755 -8.234 5.835 1.00 0.00 C ATOM 476 CD1 LEU A 38 2.782 -6.788 5.396 1.00 0.00 C ATOM 477 CD2 LEU A 38 2.989 -8.350 7.310 1.00 0.00 C ATOM 0 H LEU A 38 -0.404 -10.231 4.451 1.00 0.00 H new ATOM 0 HA LEU A 38 1.029 -7.984 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.621 -8.361 5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.432 -9.914 5.864 1.00 0.00 H new ATOM 0 HG LEU A 38 3.563 -8.749 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.731 -6.337 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.672 -6.734 4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.963 -6.248 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.930 -7.864 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.172 -7.868 7.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.036 -9.403 7.589 1.00 0.00 H new ATOM 489 N LEU A 39 2.988 -8.803 2.415 1.00 0.00 N ATOM 490 CA LEU A 39 4.182 -9.175 1.710 1.00 0.00 C ATOM 491 C LEU A 39 5.393 -8.722 2.506 1.00 0.00 C ATOM 492 O LEU A 39 6.255 -9.525 2.860 1.00 0.00 O ATOM 493 CB LEU A 39 4.160 -8.554 0.311 1.00 0.00 C ATOM 494 CG LEU A 39 2.942 -8.939 -0.535 1.00 0.00 C ATOM 495 CD1 LEU A 39 2.952 -8.244 -1.883 1.00 0.00 C ATOM 496 CD2 LEU A 39 2.883 -10.442 -0.712 1.00 0.00 C ATOM 0 H LEU A 39 2.647 -7.869 2.186 1.00 0.00 H new ATOM 0 HA LEU A 39 4.236 -10.258 1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.191 -7.469 0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.064 -8.852 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 39 2.049 -8.608 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.072 -8.543 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.939 -7.164 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.852 -8.525 -2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.013 -10.704 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.788 -10.785 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.805 -10.921 0.264 1.00 0.00 H new ATOM 508 N MET A 40 5.415 -7.434 2.844 1.00 0.00 N ATOM 509 CA MET A 40 6.551 -6.826 3.543 1.00 0.00 C ATOM 510 C MET A 40 6.301 -5.380 3.919 1.00 0.00 C ATOM 511 O MET A 40 5.345 -4.752 3.455 1.00 0.00 O ATOM 512 CB MET A 40 7.827 -6.875 2.700 1.00 0.00 C ATOM 513 CG MET A 40 7.759 -6.109 1.405 1.00 0.00 C ATOM 514 SD MET A 40 9.322 -6.152 0.512 1.00 0.00 S ATOM 515 CE MET A 40 9.428 -7.891 0.096 1.00 0.00 C ATOM 0 H MET A 40 4.654 -6.785 2.644 1.00 0.00 H new ATOM 0 HA MET A 40 6.674 -7.417 4.450 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.653 -6.484 3.294 1.00 0.00 H new ATOM 0 HB3 MET A 40 8.059 -7.917 2.478 1.00 0.00 H new ATOM 0 HG2 MET A 40 6.972 -6.527 0.778 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.487 -5.074 1.610 1.00 0.00 H new ATOM 0 HE1 MET A 40 10.223 -8.043 -0.634 1.00 0.00 H new ATOM 0 HE2 MET A 40 9.646 -8.468 0.995 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.479 -8.223 -0.326 1.00 0.00 H new ATOM 525 N TYR A 41 7.188 -4.888 4.759 1.00 0.00 N ATOM 526 CA TYR A 41 7.227 -3.514 5.223 1.00 0.00 C ATOM 527 C TYR A 41 8.415 -2.836 4.555 1.00 0.00 C ATOM 528 O TYR A 41 9.512 -3.396 4.530 1.00 0.00 O ATOM 529 CB TYR A 41 7.431 -3.471 6.749 1.00 0.00 C ATOM 530 CG TYR A 41 6.310 -4.075 7.570 1.00 0.00 C ATOM 531 CD1 TYR A 41 6.277 -5.433 7.868 1.00 0.00 C ATOM 532 CD2 TYR A 41 5.281 -3.282 8.048 1.00 0.00 C ATOM 533 CE1 TYR A 41 5.244 -5.977 8.609 1.00 0.00 C ATOM 534 CE2 TYR A 41 4.251 -3.818 8.793 1.00 0.00 C ATOM 535 CZ TYR A 41 4.233 -5.160 9.067 1.00 0.00 C ATOM 536 OH TYR A 41 3.182 -5.684 9.792 1.00 0.00 O ATOM 0 H TYR A 41 7.935 -5.459 5.155 1.00 0.00 H new ATOM 0 HA TYR A 41 6.290 -3.013 4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.357 -3.993 6.990 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.562 -2.432 7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.072 -6.074 7.515 1.00 0.00 H new ATOM 0 HD2 TYR A 41 5.285 -2.223 7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 41 5.230 -7.035 8.827 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.460 -3.181 9.160 1.00 0.00 H new ATOM 0 HH TYR A 41 2.562 -4.965 10.035 1.00 0.00 H new ATOM 546 N VAL A 42 8.196 -1.678 3.971 1.00 0.00 N ATOM 547 CA VAL A 42 9.260 -0.915 3.337 1.00 0.00 C ATOM 548 C VAL A 42 9.264 0.466 3.933 1.00 0.00 C ATOM 549 O VAL A 42 8.241 1.129 3.922 1.00 0.00 O ATOM 550 CB VAL A 42 9.048 -0.774 1.822 1.00 0.00 C ATOM 551 CG1 VAL A 42 10.226 -0.073 1.151 1.00 0.00 C ATOM 552 CG2 VAL A 42 8.807 -2.127 1.205 1.00 0.00 C ATOM 0 H VAL A 42 7.278 -1.236 3.920 1.00 0.00 H new ATOM 0 HA VAL A 42 10.200 -1.441 3.504 1.00 0.00 H new ATOM 0 HB VAL A 42 8.168 -0.151 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.039 0.008 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.346 0.924 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.136 -0.650 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.658 -2.016 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.669 -2.769 1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.919 -2.577 1.650 1.00 0.00 H new ATOM 562 N ARG A 43 10.373 0.895 4.469 1.00 0.00 N ATOM 563 CA ARG A 43 10.449 2.217 5.034 1.00 0.00 C ATOM 564 C ARG A 43 10.378 3.263 3.931 1.00 0.00 C ATOM 565 O ARG A 43 10.822 3.034 2.803 1.00 0.00 O ATOM 566 CB ARG A 43 11.731 2.429 5.842 1.00 0.00 C ATOM 567 CG ARG A 43 11.801 3.830 6.423 1.00 0.00 C ATOM 568 CD ARG A 43 13.099 4.135 7.079 1.00 0.00 C ATOM 569 NE ARG A 43 13.223 5.573 7.316 1.00 0.00 N ATOM 570 CZ ARG A 43 13.428 6.177 8.485 1.00 0.00 C ATOM 571 NH1 ARG A 43 13.287 5.510 9.625 1.00 0.00 N ATOM 572 NH2 ARG A 43 13.720 7.473 8.501 1.00 0.00 N ATOM 0 H ARG A 43 11.235 0.352 4.527 1.00 0.00 H new ATOM 0 HA ARG A 43 9.601 2.323 5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.778 1.697 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.597 2.256 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 43 11.626 4.554 5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 43 10.998 3.954 7.149 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.172 3.596 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.921 3.791 6.451 1.00 0.00 H new ATOM 0 HE ARG A 43 13.144 6.178 6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.019 4.526 9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.446 5.982 10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.785 7.992 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.880 7.949 9.389 1.00 0.00 H new ATOM 586 N ILE A 44 9.808 4.385 4.277 1.00 0.00 N ATOM 587 CA ILE A 44 9.730 5.536 3.374 1.00 0.00 C ATOM 588 C ILE A 44 11.155 6.009 3.125 1.00 0.00 C ATOM 589 O ILE A 44 11.944 6.182 4.060 1.00 0.00 O ATOM 590 CB ILE A 44 8.978 6.738 3.981 1.00 0.00 C ATOM 591 CG1 ILE A 44 7.648 6.320 4.578 1.00 0.00 C ATOM 592 CG2 ILE A 44 8.780 7.856 2.955 1.00 0.00 C ATOM 593 CD1 ILE A 44 6.558 5.845 3.650 1.00 0.00 C ATOM 0 H ILE A 44 9.380 4.542 5.189 1.00 0.00 H new ATOM 0 HA ILE A 44 9.199 5.214 2.478 1.00 0.00 H new ATOM 0 HB ILE A 44 9.601 7.128 4.786 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.843 5.523 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.257 7.167 5.142 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.247 8.686 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.751 8.202 2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.201 7.478 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.673 5.584 4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.308 6.639 2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.903 4.969 3.102 1.00 0.00 H new ATOM 605 N GLY A 45 11.475 6.160 1.880 1.00 0.00 N ATOM 606 CA GLY A 45 12.779 6.627 1.487 1.00 0.00 C ATOM 607 C GLY A 45 13.703 5.464 1.278 1.00 0.00 C ATOM 608 O GLY A 45 14.925 5.610 1.275 1.00 0.00 O ATOM 0 H GLY A 45 10.845 5.965 1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.703 7.210 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.183 7.289 2.253 1.00 0.00 H new ATOM 612 N ASN A 46 13.113 4.302 1.149 1.00 0.00 N ATOM 613 CA ASN A 46 13.834 3.081 0.915 1.00 0.00 C ATOM 614 C ASN A 46 13.179 2.349 -0.225 1.00 0.00 C ATOM 615 O ASN A 46 12.002 2.572 -0.542 1.00 0.00 O ATOM 616 CB ASN A 46 13.849 2.235 2.180 1.00 0.00 C ATOM 617 CG ASN A 46 14.577 0.894 2.083 1.00 0.00 C ATOM 618 OD1 ASN A 46 15.545 0.752 1.339 1.00 0.00 O ATOM 619 ND2 ASN A 46 14.147 -0.090 2.843 1.00 0.00 N ATOM 0 H ASN A 46 12.102 4.178 1.205 1.00 0.00 H new ATOM 0 HA ASN A 46 14.869 3.296 0.651 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.309 2.818 2.978 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.818 2.045 2.478 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.619 -0.994 2.823 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.342 0.051 3.453 1.00 0.00 H new ATOM 626 N THR A 47 13.942 1.514 -0.840 1.00 0.00 N ATOM 627 CA THR A 47 13.503 0.732 -1.947 1.00 0.00 C ATOM 628 C THR A 47 13.427 -0.716 -1.542 1.00 0.00 C ATOM 629 O THR A 47 14.136 -1.155 -0.631 1.00 0.00 O ATOM 630 CB THR A 47 14.463 0.857 -3.124 1.00 0.00 C ATOM 631 OG1 THR A 47 15.817 0.677 -2.666 1.00 0.00 O ATOM 632 CG2 THR A 47 14.332 2.193 -3.820 1.00 0.00 C ATOM 0 H THR A 47 14.915 1.350 -0.581 1.00 0.00 H new ATOM 0 HA THR A 47 12.522 1.098 -2.250 1.00 0.00 H new ATOM 0 HB THR A 47 14.207 0.082 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 47 16.432 0.756 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.034 2.240 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 47 13.315 2.309 -4.196 1.00 0.00 H new ATOM 0 HG23 THR A 47 14.552 2.994 -3.114 1.00 0.00 H new ATOM 640 N ALA A 48 12.585 -1.447 -2.208 1.00 0.00 N ATOM 641 CA ALA A 48 12.441 -2.857 -1.914 1.00 0.00 C ATOM 642 C ALA A 48 12.050 -3.645 -3.137 1.00 0.00 C ATOM 643 O ALA A 48 11.395 -3.134 -4.043 1.00 0.00 O ATOM 644 CB ALA A 48 11.435 -3.090 -0.806 1.00 0.00 C ATOM 0 H ALA A 48 11.986 -1.101 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 48 13.417 -3.209 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.351 -4.159 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.766 -2.580 0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.464 -2.699 -1.108 1.00 0.00 H new ATOM 650 N THR A 49 12.462 -4.880 -3.148 1.00 0.00 N ATOM 651 CA THR A 49 12.157 -5.800 -4.202 1.00 0.00 C ATOM 652 C THR A 49 11.045 -6.714 -3.695 1.00 0.00 C ATOM 653 O THR A 49 11.255 -7.496 -2.765 1.00 0.00 O ATOM 654 CB THR A 49 13.416 -6.622 -4.529 1.00 0.00 C ATOM 655 OG1 THR A 49 14.508 -5.717 -4.762 1.00 0.00 O ATOM 656 CG2 THR A 49 13.205 -7.465 -5.772 1.00 0.00 C ATOM 0 H THR A 49 13.033 -5.283 -2.405 1.00 0.00 H new ATOM 0 HA THR A 49 11.837 -5.282 -5.106 1.00 0.00 H new ATOM 0 HB THR A 49 13.631 -7.285 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.318 -6.228 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 49 14.109 -8.036 -5.982 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.372 -8.150 -5.610 1.00 0.00 H new ATOM 0 HG23 THR A 49 12.982 -6.816 -6.618 1.00 0.00 H new ATOM 664 N ILE A 50 9.865 -6.573 -4.249 1.00 0.00 N ATOM 665 CA ILE A 50 8.730 -7.358 -3.809 1.00 0.00 C ATOM 666 C ILE A 50 8.598 -8.538 -4.733 1.00 0.00 C ATOM 667 O ILE A 50 8.271 -8.353 -5.887 1.00 0.00 O ATOM 668 CB ILE A 50 7.380 -6.595 -3.970 1.00 0.00 C ATOM 669 CG1 ILE A 50 7.459 -5.110 -3.592 1.00 0.00 C ATOM 670 CG2 ILE A 50 6.275 -7.286 -3.178 1.00 0.00 C ATOM 671 CD1 ILE A 50 7.894 -4.841 -2.186 1.00 0.00 C ATOM 0 H ILE A 50 9.662 -5.921 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 50 8.904 -7.611 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 50 7.144 -6.626 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.151 -4.613 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.479 -4.658 -3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.341 -6.738 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.150 -8.306 -3.542 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.544 -7.308 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.920 -3.765 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.191 -5.304 -1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.888 -5.258 -2.027 1.00 0.00 H new ATOM 683 N THR A 51 8.868 -9.719 -4.281 1.00 0.00 N ATOM 684 CA THR A 51 8.549 -10.832 -5.134 1.00 0.00 C ATOM 685 C THR A 51 7.142 -11.272 -4.755 1.00 0.00 C ATOM 686 O THR A 51 6.867 -11.578 -3.589 1.00 0.00 O ATOM 687 CB THR A 51 9.569 -11.989 -5.006 1.00 0.00 C ATOM 688 OG1 THR A 51 10.872 -11.534 -5.417 1.00 0.00 O ATOM 689 CG2 THR A 51 9.174 -13.179 -5.871 1.00 0.00 C ATOM 0 H THR A 51 9.286 -9.940 -3.377 1.00 0.00 H new ATOM 0 HA THR A 51 8.598 -10.534 -6.181 1.00 0.00 H new ATOM 0 HB THR A 51 9.584 -12.304 -3.963 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.075 -11.885 -6.309 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.912 -13.973 -5.757 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.196 -13.546 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.131 -12.871 -6.916 1.00 0.00 H new ATOM 697 N ALA A 52 6.263 -11.282 -5.722 1.00 0.00 N ATOM 698 CA ALA A 52 4.890 -11.654 -5.517 1.00 0.00 C ATOM 699 C ALA A 52 4.395 -12.317 -6.777 1.00 0.00 C ATOM 700 O ALA A 52 4.517 -11.756 -7.869 1.00 0.00 O ATOM 701 CB ALA A 52 4.053 -10.426 -5.179 1.00 0.00 C ATOM 0 H ALA A 52 6.484 -11.029 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 52 4.804 -12.346 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.016 -10.724 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.436 -9.964 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.108 -9.711 -6.000 1.00 0.00 H new ATOM 707 N ARG A 53 3.931 -13.548 -6.622 1.00 0.00 N ATOM 708 CA ARG A 53 3.389 -14.373 -7.701 1.00 0.00 C ATOM 709 C ARG A 53 4.461 -14.725 -8.730 1.00 0.00 C ATOM 710 O ARG A 53 4.171 -15.128 -9.856 1.00 0.00 O ATOM 711 CB ARG A 53 2.151 -13.733 -8.336 1.00 0.00 C ATOM 712 CG ARG A 53 1.034 -13.489 -7.331 1.00 0.00 C ATOM 713 CD ARG A 53 -0.212 -12.916 -7.979 1.00 0.00 C ATOM 714 NE ARG A 53 -0.801 -13.838 -8.944 1.00 0.00 N ATOM 715 CZ ARG A 53 -2.085 -14.181 -9.004 1.00 0.00 C ATOM 716 NH1 ARG A 53 -2.967 -13.659 -8.156 1.00 0.00 N ATOM 717 NH2 ARG A 53 -2.484 -15.048 -9.924 1.00 0.00 N ATOM 0 H ARG A 53 3.919 -14.018 -5.717 1.00 0.00 H new ATOM 0 HA ARG A 53 3.058 -15.314 -7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.433 -12.786 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.782 -14.378 -9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.784 -14.427 -6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.386 -12.805 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.946 -12.681 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.037 -11.980 -8.478 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.174 -14.256 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.661 -12.989 -7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.949 -13.929 -8.211 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.809 -15.445 -10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.466 -15.318 -9.979 1.00 0.00 H new ATOM 731 N GLY A 54 5.698 -14.652 -8.289 1.00 0.00 N ATOM 732 CA GLY A 54 6.828 -14.967 -9.135 1.00 0.00 C ATOM 733 C GLY A 54 7.422 -13.746 -9.804 1.00 0.00 C ATOM 734 O GLY A 54 8.403 -13.850 -10.539 1.00 0.00 O ATOM 0 H GLY A 54 5.948 -14.374 -7.340 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.597 -15.458 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.516 -15.678 -9.900 1.00 0.00 H new ATOM 738 N HIS A 55 6.851 -12.590 -9.551 1.00 0.00 N ATOM 739 CA HIS A 55 7.335 -11.364 -10.159 1.00 0.00 C ATOM 740 C HIS A 55 7.972 -10.461 -9.124 1.00 0.00 C ATOM 741 O HIS A 55 7.405 -10.264 -8.053 1.00 0.00 O ATOM 742 CB HIS A 55 6.191 -10.576 -10.818 1.00 0.00 C ATOM 743 CG HIS A 55 5.533 -11.217 -12.004 1.00 0.00 C ATOM 744 ND1 HIS A 55 5.787 -10.844 -13.304 1.00 0.00 N ATOM 745 CD2 HIS A 55 4.581 -12.181 -12.073 1.00 0.00 C ATOM 746 CE1 HIS A 55 5.002 -11.562 -14.108 1.00 0.00 C ATOM 747 NE2 HIS A 55 4.246 -12.392 -13.410 1.00 0.00 N ATOM 0 H HIS A 55 6.051 -12.469 -8.929 1.00 0.00 H new ATOM 0 HA HIS A 55 8.067 -11.659 -10.910 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.427 -10.389 -10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.579 -9.605 -11.126 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.152 -12.701 -11.229 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.986 -11.477 -15.185 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.559 -13.051 -13.775 1.00 0.00 H new ATOM 755 N GLU A 56 9.160 -9.958 -9.418 1.00 0.00 N ATOM 756 CA GLU A 56 9.769 -8.935 -8.603 1.00 0.00 C ATOM 757 C GLU A 56 9.256 -7.578 -9.024 1.00 0.00 C ATOM 758 O GLU A 56 9.317 -7.212 -10.203 1.00 0.00 O ATOM 759 CB GLU A 56 11.294 -8.886 -8.700 1.00 0.00 C ATOM 760 CG GLU A 56 12.038 -9.992 -7.997 1.00 0.00 C ATOM 761 CD GLU A 56 11.949 -11.330 -8.653 1.00 0.00 C ATOM 762 OE1 GLU A 56 11.406 -12.261 -8.043 1.00 0.00 O ATOM 763 OE2 GLU A 56 12.461 -11.483 -9.772 1.00 0.00 O ATOM 0 H GLU A 56 9.719 -10.247 -10.220 1.00 0.00 H new ATOM 0 HA GLU A 56 9.502 -9.186 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.572 -8.901 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.633 -7.933 -8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.088 -9.711 -7.920 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.656 -10.077 -6.980 1.00 0.00 H new ATOM 770 N PHE A 57 8.735 -6.859 -8.079 1.00 0.00 N ATOM 771 CA PHE A 57 8.312 -5.515 -8.268 1.00 0.00 C ATOM 772 C PHE A 57 9.259 -4.696 -7.432 1.00 0.00 C ATOM 773 O PHE A 57 9.218 -4.764 -6.212 1.00 0.00 O ATOM 774 CB PHE A 57 6.883 -5.335 -7.756 1.00 0.00 C ATOM 775 CG PHE A 57 5.860 -6.216 -8.414 1.00 0.00 C ATOM 776 CD1 PHE A 57 5.399 -7.357 -7.777 1.00 0.00 C ATOM 777 CD2 PHE A 57 5.351 -5.897 -9.662 1.00 0.00 C ATOM 778 CE1 PHE A 57 4.450 -8.160 -8.372 1.00 0.00 C ATOM 779 CE2 PHE A 57 4.403 -6.700 -10.262 1.00 0.00 C ATOM 780 CZ PHE A 57 3.952 -7.831 -9.614 1.00 0.00 C ATOM 0 H PHE A 57 8.590 -7.205 -7.130 1.00 0.00 H new ATOM 0 HA PHE A 57 8.320 -5.224 -9.318 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.870 -5.527 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.590 -4.295 -7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.787 -7.620 -6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 57 5.700 -5.010 -10.171 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.097 -9.046 -7.865 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.015 -6.444 -11.237 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.208 -8.459 -10.081 1.00 0.00 H new ATOM 790 N GLU A 58 10.156 -3.993 -8.053 1.00 0.00 N ATOM 791 CA GLU A 58 11.092 -3.223 -7.297 1.00 0.00 C ATOM 792 C GLU A 58 10.476 -1.855 -7.121 1.00 0.00 C ATOM 793 O GLU A 58 10.258 -1.127 -8.086 1.00 0.00 O ATOM 794 CB GLU A 58 12.447 -3.172 -7.990 1.00 0.00 C ATOM 795 CG GLU A 58 13.529 -2.558 -7.147 1.00 0.00 C ATOM 796 CD GLU A 58 14.820 -2.393 -7.898 1.00 0.00 C ATOM 797 OE1 GLU A 58 14.839 -1.647 -8.897 1.00 0.00 O ATOM 798 OE2 GLU A 58 15.849 -2.982 -7.500 1.00 0.00 O ATOM 0 H GLU A 58 10.259 -3.937 -9.066 1.00 0.00 H new ATOM 0 HA GLU A 58 11.286 -3.672 -6.323 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.743 -4.184 -8.266 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.352 -2.604 -8.915 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.196 -1.585 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.700 -3.182 -6.270 1.00 0.00 H new ATOM 805 N VAL A 59 10.134 -1.549 -5.906 1.00 0.00 N ATOM 806 CA VAL A 59 9.444 -0.328 -5.563 1.00 0.00 C ATOM 807 C VAL A 59 10.338 0.601 -4.792 1.00 0.00 C ATOM 808 O VAL A 59 11.371 0.198 -4.240 1.00 0.00 O ATOM 809 CB VAL A 59 8.211 -0.603 -4.679 1.00 0.00 C ATOM 810 CG1 VAL A 59 7.160 -1.414 -5.395 1.00 0.00 C ATOM 811 CG2 VAL A 59 8.644 -1.326 -3.441 1.00 0.00 C ATOM 0 H VAL A 59 10.328 -2.149 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 59 9.140 0.123 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 59 7.764 0.358 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.313 -1.580 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.825 -0.875 -6.281 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.581 -2.374 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.776 -1.523 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.114 -2.270 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.358 -0.712 -2.892 1.00 0.00 H new ATOM 821 N GLU A 60 9.918 1.825 -4.748 1.00 0.00 N ATOM 822 CA GLU A 60 10.568 2.831 -3.979 1.00 0.00 C ATOM 823 C GLU A 60 9.478 3.474 -3.165 1.00 0.00 C ATOM 824 O GLU A 60 8.512 3.992 -3.730 1.00 0.00 O ATOM 825 CB GLU A 60 11.248 3.858 -4.886 1.00 0.00 C ATOM 826 CG GLU A 60 12.110 4.872 -4.144 1.00 0.00 C ATOM 827 CD GLU A 60 12.811 5.820 -5.083 1.00 0.00 C ATOM 828 OE1 GLU A 60 13.546 5.362 -5.985 1.00 0.00 O ATOM 829 OE2 GLU A 60 12.643 7.046 -4.952 1.00 0.00 O ATOM 0 H GLU A 60 9.098 2.157 -5.256 1.00 0.00 H new ATOM 0 HA GLU A 60 11.353 2.413 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.869 3.331 -5.611 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.483 4.392 -5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.486 5.441 -3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.851 4.345 -3.542 1.00 0.00 H new ATOM 836 N ALA A 61 9.579 3.387 -1.860 1.00 0.00 N ATOM 837 CA ALA A 61 8.588 4.035 -1.019 1.00 0.00 C ATOM 838 C ALA A 61 8.906 5.521 -0.995 1.00 0.00 C ATOM 839 O ALA A 61 9.712 5.990 -0.200 1.00 0.00 O ATOM 840 CB ALA A 61 8.553 3.436 0.379 1.00 0.00 C ATOM 0 H ALA A 61 10.316 2.888 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 61 7.590 3.877 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.799 3.949 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.306 2.376 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.529 3.553 0.850 1.00 0.00 H new ATOM 846 N LYS A 62 8.319 6.213 -1.950 1.00 0.00 N ATOM 847 CA LYS A 62 8.557 7.625 -2.215 1.00 0.00 C ATOM 848 C LYS A 62 8.093 8.508 -1.067 1.00 0.00 C ATOM 849 O LYS A 62 8.856 9.309 -0.523 1.00 0.00 O ATOM 850 CB LYS A 62 7.776 8.044 -3.465 1.00 0.00 C ATOM 851 CG LYS A 62 7.947 7.162 -4.701 1.00 0.00 C ATOM 852 CD LYS A 62 9.351 7.153 -5.291 1.00 0.00 C ATOM 853 CE LYS A 62 9.778 8.517 -5.804 1.00 0.00 C ATOM 854 NZ LYS A 62 11.079 8.458 -6.505 1.00 0.00 N ATOM 0 H LYS A 62 7.639 5.797 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 62 9.631 7.752 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.716 8.075 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.071 9.060 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.671 6.140 -4.442 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.248 7.496 -5.468 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.058 6.817 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.393 6.432 -6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.017 8.905 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.846 9.214 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.575 9.366 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.658 7.696 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.921 8.271 -7.516 1.00 0.00 H new ATOM 868 N ASP A 63 6.832 8.360 -0.720 1.00 0.00 N ATOM 869 CA ASP A 63 6.183 9.190 0.281 1.00 0.00 C ATOM 870 C ASP A 63 5.134 8.370 1.016 1.00 0.00 C ATOM 871 O ASP A 63 4.730 7.312 0.531 1.00 0.00 O ATOM 872 CB ASP A 63 5.578 10.435 -0.397 1.00 0.00 C ATOM 873 CG ASP A 63 4.660 11.251 0.486 1.00 0.00 C ATOM 874 OD1 ASP A 63 3.437 11.268 0.213 1.00 0.00 O ATOM 875 OD2 ASP A 63 5.112 11.814 1.499 1.00 0.00 O ATOM 0 H ASP A 63 6.219 7.653 -1.127 1.00 0.00 H new ATOM 0 HA ASP A 63 6.909 9.535 1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.390 11.074 -0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.023 10.118 -1.280 1.00 0.00 H new ATOM 880 N GLN A 64 4.659 8.886 2.140 1.00 0.00 N ATOM 881 CA GLN A 64 3.749 8.194 3.048 1.00 0.00 C ATOM 882 C GLN A 64 2.306 8.155 2.530 1.00 0.00 C ATOM 883 O GLN A 64 1.376 7.838 3.273 1.00 0.00 O ATOM 884 CB GLN A 64 3.818 8.858 4.416 1.00 0.00 C ATOM 885 CG GLN A 64 5.252 9.005 4.917 1.00 0.00 C ATOM 886 CD GLN A 64 5.410 9.788 6.204 1.00 0.00 C ATOM 887 OE1 GLN A 64 4.630 10.674 6.507 1.00 0.00 O ATOM 888 NE2 GLN A 64 6.449 9.497 6.953 1.00 0.00 N ATOM 0 H GLN A 64 4.902 9.825 2.457 1.00 0.00 H new ATOM 0 HA GLN A 64 4.069 7.154 3.120 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.351 9.842 4.364 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.244 8.270 5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.673 8.010 5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.843 9.491 4.140 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.085 8.750 6.674 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.620 10.018 7.813 1.00 0.00 H new ATOM 897 N ASN A 65 2.116 8.490 1.261 1.00 0.00 N ATOM 898 CA ASN A 65 0.824 8.317 0.616 1.00 0.00 C ATOM 899 C ASN A 65 0.676 6.838 0.275 1.00 0.00 C ATOM 900 O ASN A 65 -0.430 6.321 0.070 1.00 0.00 O ATOM 901 CB ASN A 65 0.685 9.174 -0.656 1.00 0.00 C ATOM 902 CG ASN A 65 1.671 8.843 -1.775 1.00 0.00 C ATOM 903 OD1 ASN A 65 1.426 7.978 -2.622 1.00 0.00 O ATOM 904 ND2 ASN A 65 2.777 9.544 -1.812 1.00 0.00 N ATOM 0 H ASN A 65 2.840 8.883 0.659 1.00 0.00 H new ATOM 0 HA ASN A 65 0.038 8.647 1.295 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.328 9.061 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.808 10.222 -0.384 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.459 9.381 -2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.956 10.253 -1.101 1.00 0.00 H new ATOM 911 N CYS A 66 1.829 6.181 0.220 1.00 0.00 N ATOM 912 CA CYS A 66 1.969 4.760 -0.006 1.00 0.00 C ATOM 913 C CYS A 66 1.255 4.206 -1.217 1.00 0.00 C ATOM 914 O CYS A 66 0.357 3.384 -1.104 1.00 0.00 O ATOM 915 CB CYS A 66 1.741 3.931 1.252 1.00 0.00 C ATOM 916 SG CYS A 66 2.930 4.332 2.575 1.00 0.00 S ATOM 0 H CYS A 66 2.727 6.651 0.338 1.00 0.00 H new ATOM 0 HA CYS A 66 3.021 4.654 -0.270 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.727 4.099 1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 66 1.820 2.872 1.005 1.00 0.00 H new ATOM 921 N LYS A 67 1.547 4.767 -2.358 1.00 0.00 N ATOM 922 CA LYS A 67 1.120 4.156 -3.588 1.00 0.00 C ATOM 923 C LYS A 67 2.233 3.289 -4.041 1.00 0.00 C ATOM 924 O LYS A 67 3.396 3.520 -3.687 1.00 0.00 O ATOM 925 CB LYS A 67 0.746 5.154 -4.676 1.00 0.00 C ATOM 926 CG LYS A 67 -0.734 5.485 -4.815 1.00 0.00 C ATOM 927 CD LYS A 67 -1.298 5.979 -3.513 1.00 0.00 C ATOM 928 CE LYS A 67 -2.079 4.916 -2.772 1.00 0.00 C ATOM 929 NZ LYS A 67 -2.559 5.402 -1.462 1.00 0.00 N ATOM 0 H LYS A 67 2.072 5.635 -2.463 1.00 0.00 H new ATOM 0 HA LYS A 67 0.206 3.592 -3.400 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.287 6.082 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.100 4.766 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.870 6.243 -5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.280 4.599 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.484 6.333 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.947 6.833 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.929 4.602 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.450 4.038 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.174 4.683 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.746 5.582 -0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.096 6.283 -1.594 1.00 0.00 H new ATOM 943 N VAL A 68 1.887 2.300 -4.787 1.00 0.00 N ATOM 944 CA VAL A 68 2.895 1.402 -5.282 1.00 0.00 C ATOM 945 C VAL A 68 3.595 2.034 -6.475 1.00 0.00 C ATOM 946 O VAL A 68 3.083 2.085 -7.597 1.00 0.00 O ATOM 947 CB VAL A 68 2.391 -0.047 -5.544 1.00 0.00 C ATOM 948 CG1 VAL A 68 1.199 -0.093 -6.489 1.00 0.00 C ATOM 949 CG2 VAL A 68 3.527 -0.914 -6.065 1.00 0.00 C ATOM 0 H VAL A 68 0.931 2.085 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 68 3.630 1.260 -4.490 1.00 0.00 H new ATOM 0 HB VAL A 68 2.046 -0.444 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.890 -1.128 -6.635 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.373 0.475 -6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.479 0.341 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.161 -1.925 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.906 -0.495 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.329 -0.944 -5.328 1.00 0.00 H new ATOM 959 N ILE A 69 4.744 2.587 -6.194 1.00 0.00 N ATOM 960 CA ILE A 69 5.529 3.253 -7.191 1.00 0.00 C ATOM 961 C ILE A 69 6.788 2.459 -7.371 1.00 0.00 C ATOM 962 O ILE A 69 7.564 2.251 -6.430 1.00 0.00 O ATOM 963 CB ILE A 69 5.833 4.715 -6.784 1.00 0.00 C ATOM 964 CG1 ILE A 69 4.504 5.451 -6.598 1.00 0.00 C ATOM 965 CG2 ILE A 69 6.680 5.405 -7.854 1.00 0.00 C ATOM 966 CD1 ILE A 69 4.604 6.824 -5.977 1.00 0.00 C ATOM 0 H ILE A 69 5.161 2.587 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 69 4.981 3.309 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 69 6.399 4.729 -5.852 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.021 5.545 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.852 4.837 -5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.884 6.432 -7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.621 4.869 -7.975 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.140 5.407 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.608 7.257 -5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.052 6.744 -4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.224 7.463 -6.605 1.00 0.00 H new ATOM 978 N LEU A 70 6.969 1.992 -8.567 1.00 0.00 N ATOM 979 CA LEU A 70 8.074 1.167 -8.892 1.00 0.00 C ATOM 980 C LEU A 70 9.271 2.008 -9.161 1.00 0.00 C ATOM 981 O LEU A 70 9.155 3.150 -9.597 1.00 0.00 O ATOM 982 CB LEU A 70 7.773 0.263 -10.083 1.00 0.00 C ATOM 983 CG LEU A 70 6.755 -0.861 -9.860 1.00 0.00 C ATOM 984 CD1 LEU A 70 7.203 -1.847 -8.819 1.00 0.00 C ATOM 985 CD2 LEU A 70 5.359 -0.354 -9.568 1.00 0.00 C ATOM 0 H LEU A 70 6.342 2.179 -9.349 1.00 0.00 H new ATOM 0 HA LEU A 70 8.275 0.520 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.415 0.888 -10.901 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.709 -0.188 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 70 6.703 -1.390 -10.811 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.445 -2.621 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.143 -2.303 -9.131 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.347 -1.333 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.688 -1.200 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.375 0.258 -8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.007 0.246 -10.407 1.00 0.00 H new ATOM 997 N THR A 71 10.401 1.423 -8.933 1.00 0.00 N ATOM 998 CA THR A 71 11.694 2.104 -9.113 1.00 0.00 C ATOM 999 C THR A 71 11.913 2.523 -10.547 1.00 0.00 C ATOM 1000 O THR A 71 12.513 3.552 -10.842 1.00 0.00 O ATOM 1001 CB THR A 71 12.840 1.181 -8.728 1.00 0.00 C ATOM 1002 OG1 THR A 71 12.706 -0.060 -9.448 1.00 0.00 O ATOM 1003 CG2 THR A 71 12.788 0.928 -7.258 1.00 0.00 C ATOM 0 H THR A 71 10.481 0.457 -8.615 1.00 0.00 H new ATOM 0 HA THR A 71 11.671 2.986 -8.473 1.00 0.00 H new ATOM 0 HB THR A 71 13.796 1.641 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.475 -0.636 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.607 0.267 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.882 1.873 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.838 0.459 -7.003 1.00 0.00 H new ATOM 1011 N ASN A 72 11.363 1.728 -11.425 1.00 0.00 N ATOM 1012 CA ASN A 72 11.545 1.907 -12.838 1.00 0.00 C ATOM 1013 C ASN A 72 10.319 2.524 -13.449 1.00 0.00 C ATOM 1014 O ASN A 72 10.193 2.671 -14.653 1.00 0.00 O ATOM 1015 CB ASN A 72 12.054 0.644 -13.571 1.00 0.00 C ATOM 1016 CG ASN A 72 11.501 -0.726 -13.158 1.00 0.00 C ATOM 1017 OD1 ASN A 72 11.273 -1.568 -14.019 1.00 0.00 O ATOM 1018 ND2 ASN A 72 11.445 -1.046 -11.876 1.00 0.00 N ATOM 0 H ASN A 72 10.773 0.934 -11.177 1.00 0.00 H new ATOM 0 HA ASN A 72 12.363 2.614 -12.976 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.850 0.775 -14.634 1.00 0.00 H new ATOM 0 HB3 ASN A 72 13.137 0.610 -13.456 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.211 -1.999 -11.598 1.00 0.00 H new ATOM 0 HD22 ASN A 72 11.636 -0.340 -11.165 1.00 0.00 H new ATOM 1025 N GLY A 73 9.394 2.847 -12.565 1.00 0.00 N ATOM 1026 CA GLY A 73 8.217 3.624 -12.934 1.00 0.00 C ATOM 1027 C GLY A 73 7.142 2.754 -13.496 1.00 0.00 C ATOM 1028 O GLY A 73 6.124 3.230 -13.993 1.00 0.00 O ATOM 0 H GLY A 73 9.432 2.584 -11.580 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.839 4.152 -12.058 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.495 4.381 -13.667 1.00 0.00 H new ATOM 1032 N LYS A 74 7.411 1.476 -13.422 1.00 0.00 N ATOM 1033 CA LYS A 74 6.549 0.425 -13.883 1.00 0.00 C ATOM 1034 C LYS A 74 5.139 0.454 -13.332 1.00 0.00 C ATOM 1035 O LYS A 74 4.836 1.076 -12.314 1.00 0.00 O ATOM 1036 CB LYS A 74 7.189 -0.905 -13.565 1.00 0.00 C ATOM 1037 CG LYS A 74 8.339 -1.232 -14.469 1.00 0.00 C ATOM 1038 CD LYS A 74 7.862 -1.886 -15.754 1.00 0.00 C ATOM 1039 CE LYS A 74 9.010 -2.278 -16.664 1.00 0.00 C ATOM 1040 NZ LYS A 74 8.528 -2.946 -17.897 1.00 0.00 N ATOM 0 H LYS A 74 8.280 1.126 -13.019 1.00 0.00 H new ATOM 0 HA LYS A 74 6.437 0.580 -14.956 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.537 -0.897 -12.532 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.438 -1.691 -13.642 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.890 -0.321 -14.705 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.031 -1.899 -13.954 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.275 -2.772 -15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.200 -1.201 -16.283 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.582 -1.390 -16.931 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.687 -2.945 -16.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.340 -3.200 -18.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.003 -3.807 -17.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.902 -2.300 -18.419 1.00 0.00 H new ATOM 1054 N GLN A 75 4.308 -0.240 -14.045 1.00 0.00 N ATOM 1055 CA GLN A 75 2.927 -0.434 -13.711 1.00 0.00 C ATOM 1056 C GLN A 75 2.818 -1.643 -12.806 1.00 0.00 C ATOM 1057 O GLN A 75 3.357 -2.712 -13.115 1.00 0.00 O ATOM 1058 CB GLN A 75 2.139 -0.699 -14.988 1.00 0.00 C ATOM 1059 CG GLN A 75 0.654 -0.931 -14.778 1.00 0.00 C ATOM 1060 CD GLN A 75 -0.071 -1.317 -16.051 1.00 0.00 C ATOM 1061 OE1 GLN A 75 -1.072 -2.028 -16.017 1.00 0.00 O ATOM 1062 NE2 GLN A 75 0.417 -0.877 -17.183 1.00 0.00 N ATOM 0 H GLN A 75 4.581 -0.706 -14.910 1.00 0.00 H new ATOM 0 HA GLN A 75 2.532 0.450 -13.211 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.269 0.148 -15.662 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.563 -1.571 -15.486 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.516 -1.717 -14.035 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.204 -0.025 -14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.250 -0.288 -17.185 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.035 -1.123 -18.063 1.00 0.00 H new ATOM 1071 N ALA A 76 2.161 -1.474 -11.697 1.00 0.00 N ATOM 1072 CA ALA A 76 1.927 -2.567 -10.799 1.00 0.00 C ATOM 1073 C ALA A 76 0.455 -2.944 -10.873 1.00 0.00 C ATOM 1074 O ALA A 76 -0.407 -2.065 -11.018 1.00 0.00 O ATOM 1075 CB ALA A 76 2.335 -2.217 -9.379 1.00 0.00 C ATOM 0 H ALA A 76 1.774 -0.581 -11.390 1.00 0.00 H new ATOM 0 HA ALA A 76 2.539 -3.418 -11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.144 -3.068 -8.725 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.397 -1.973 -9.355 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.757 -1.359 -9.036 1.00 0.00 H new ATOM 1081 N PRO A 77 0.171 -4.261 -10.846 1.00 0.00 N ATOM 1082 CA PRO A 77 -1.191 -4.814 -10.866 1.00 0.00 C ATOM 1083 C PRO A 77 -2.130 -4.195 -9.839 1.00 0.00 C ATOM 1084 O PRO A 77 -1.707 -3.714 -8.779 1.00 0.00 O ATOM 1085 CB PRO A 77 -0.957 -6.265 -10.495 1.00 0.00 C ATOM 1086 CG PRO A 77 0.386 -6.578 -11.021 1.00 0.00 C ATOM 1087 CD PRO A 77 1.184 -5.333 -10.826 1.00 0.00 C ATOM 0 HA PRO A 77 -1.670 -4.634 -11.828 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -1.002 -6.409 -9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.715 -6.913 -10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.831 -7.418 -10.488 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.341 -6.856 -12.074 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.729 -5.351 -9.882 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.921 -5.202 -11.618 1.00 0.00 H new ATOM 1095 N ASP A 78 -3.412 -4.285 -10.149 1.00 0.00 N ATOM 1096 CA ASP A 78 -4.510 -3.738 -9.350 1.00 0.00 C ATOM 1097 C ASP A 78 -4.483 -4.284 -7.933 1.00 0.00 C ATOM 1098 O ASP A 78 -4.808 -3.582 -6.978 1.00 0.00 O ATOM 1099 CB ASP A 78 -5.864 -4.107 -9.974 1.00 0.00 C ATOM 1100 CG ASP A 78 -6.054 -3.606 -11.387 1.00 0.00 C ATOM 1101 OD1 ASP A 78 -5.600 -4.279 -12.343 1.00 0.00 O ATOM 1102 OD2 ASP A 78 -6.678 -2.548 -11.588 1.00 0.00 O ATOM 0 H ASP A 78 -3.735 -4.757 -10.994 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.383 -2.656 -9.329 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.970 -5.192 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.661 -3.705 -9.348 1.00 0.00 H new ATOM 1107 N TRP A 79 -4.060 -5.525 -7.808 1.00 0.00 N ATOM 1108 CA TRP A 79 -4.022 -6.227 -6.535 1.00 0.00 C ATOM 1109 C TRP A 79 -2.801 -5.867 -5.690 1.00 0.00 C ATOM 1110 O TRP A 79 -2.718 -6.252 -4.532 1.00 0.00 O ATOM 1111 CB TRP A 79 -4.086 -7.745 -6.766 1.00 0.00 C ATOM 1112 CG TRP A 79 -3.017 -8.298 -7.663 1.00 0.00 C ATOM 1113 CD1 TRP A 79 -3.156 -8.558 -8.981 1.00 0.00 C ATOM 1114 CD2 TRP A 79 -1.661 -8.655 -7.325 1.00 0.00 C ATOM 1115 NE1 TRP A 79 -1.998 -9.067 -9.491 1.00 0.00 N ATOM 1116 CE2 TRP A 79 -1.060 -9.132 -8.500 1.00 0.00 C ATOM 1117 CE3 TRP A 79 -0.900 -8.623 -6.150 1.00 0.00 C ATOM 1118 CZ2 TRP A 79 0.264 -9.563 -8.544 1.00 0.00 C ATOM 1119 CZ3 TRP A 79 0.411 -9.051 -6.196 1.00 0.00 C ATOM 1120 CH2 TRP A 79 0.982 -9.514 -7.382 1.00 0.00 C ATOM 0 H TRP A 79 -3.729 -6.084 -8.594 1.00 0.00 H new ATOM 0 HA TRP A 79 -4.897 -5.905 -5.970 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.024 -8.247 -5.800 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -5.059 -7.992 -7.191 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.057 -8.387 -9.551 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.855 -9.354 -10.459 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -1.331 -8.270 -5.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.706 -9.922 -9.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.007 -9.027 -5.296 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.012 -9.840 -7.382 1.00 0.00 H new ATOM 1131 N LEU A 80 -1.850 -5.159 -6.254 1.00 0.00 N ATOM 1132 CA LEU A 80 -0.662 -4.832 -5.516 1.00 0.00 C ATOM 1133 C LEU A 80 -0.932 -3.565 -4.713 1.00 0.00 C ATOM 1134 O LEU A 80 -1.060 -2.466 -5.273 1.00 0.00 O ATOM 1135 CB LEU A 80 0.527 -4.682 -6.473 1.00 0.00 C ATOM 1136 CG LEU A 80 1.899 -4.589 -5.812 1.00 0.00 C ATOM 1137 CD1 LEU A 80 2.158 -5.825 -4.999 1.00 0.00 C ATOM 1138 CD2 LEU A 80 3.007 -4.452 -6.832 1.00 0.00 C ATOM 0 H LEU A 80 -1.878 -4.804 -7.210 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.401 -5.630 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.530 -5.531 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.373 -3.788 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 80 1.892 -3.702 -5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.139 -5.753 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.393 -5.921 -4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.130 -6.700 -5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.967 -4.389 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.004 -5.320 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.850 -3.548 -7.421 1.00 0.00 H new ATOM 1150 N ALA A 81 -1.063 -3.726 -3.419 1.00 0.00 N ATOM 1151 CA ALA A 81 -1.420 -2.631 -2.545 1.00 0.00 C ATOM 1152 C ALA A 81 -0.276 -2.205 -1.664 1.00 0.00 C ATOM 1153 O ALA A 81 0.654 -2.969 -1.394 1.00 0.00 O ATOM 1154 CB ALA A 81 -2.593 -2.996 -1.654 1.00 0.00 C ATOM 0 H ALA A 81 -0.926 -4.617 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.691 -1.804 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.837 -2.152 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.457 -3.242 -2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.329 -3.857 -1.040 1.00 0.00 H new ATOM 1160 N ALA A 82 -0.384 -0.985 -1.212 1.00 0.00 N ATOM 1161 CA ALA A 82 0.532 -0.386 -0.281 1.00 0.00 C ATOM 1162 C ALA A 82 -0.269 0.536 0.618 1.00 0.00 C ATOM 1163 O ALA A 82 -1.214 1.185 0.161 1.00 0.00 O ATOM 1164 CB ALA A 82 1.626 0.388 -1.005 1.00 0.00 C ATOM 0 H ALA A 82 -1.139 -0.359 -1.492 1.00 0.00 H new ATOM 0 HA ALA A 82 1.027 -1.160 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.304 0.830 -0.274 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.183 -0.289 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.176 1.178 -1.606 1.00 0.00 H new ATOM 1170 N GLU A 83 0.036 0.526 1.888 1.00 0.00 N ATOM 1171 CA GLU A 83 -0.584 1.395 2.869 1.00 0.00 C ATOM 1172 C GLU A 83 0.423 1.521 3.988 1.00 0.00 C ATOM 1173 O GLU A 83 1.218 0.611 4.137 1.00 0.00 O ATOM 1174 CB GLU A 83 -1.895 0.771 3.362 1.00 0.00 C ATOM 1175 CG GLU A 83 -1.760 -0.655 3.840 1.00 0.00 C ATOM 1176 CD GLU A 83 -3.063 -1.211 4.326 1.00 0.00 C ATOM 1177 OE1 GLU A 83 -3.878 -1.672 3.491 1.00 0.00 O ATOM 1178 OE2 GLU A 83 -3.302 -1.200 5.548 1.00 0.00 O ATOM 0 H GLU A 83 0.738 -0.099 2.285 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.838 2.373 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.291 1.379 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.626 0.804 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.382 -1.275 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.025 -0.700 4.643 1.00 0.00 H new ATOM 1185 N PRO A 84 0.504 2.632 4.717 1.00 0.00 N ATOM 1186 CA PRO A 84 1.449 2.749 5.818 1.00 0.00 C ATOM 1187 C PRO A 84 1.080 1.836 7.007 1.00 0.00 C ATOM 1188 O PRO A 84 -0.087 1.467 7.206 1.00 0.00 O ATOM 1189 CB PRO A 84 1.423 4.248 6.111 1.00 0.00 C ATOM 1190 CG PRO A 84 0.023 4.618 5.813 1.00 0.00 C ATOM 1191 CD PRO A 84 -0.249 3.891 4.533 1.00 0.00 C ATOM 0 HA PRO A 84 2.457 2.404 5.589 1.00 0.00 H new ATOM 0 HB2 PRO A 84 1.686 4.462 7.147 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.128 4.795 5.484 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.655 4.306 6.607 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -0.095 5.696 5.699 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -1.314 3.710 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 84 0.101 4.451 3.666 1.00 0.00 H new ATOM 1199 N TYR A 85 2.100 1.429 7.733 1.00 0.00 N ATOM 1200 CA TYR A 85 1.989 0.442 8.795 1.00 0.00 C ATOM 1201 C TYR A 85 1.272 0.930 10.057 1.00 0.00 C ATOM 1202 O TYR A 85 1.724 1.872 10.721 1.00 0.00 O ATOM 1203 CB TYR A 85 3.358 -0.247 9.026 1.00 0.00 C ATOM 1204 CG TYR A 85 4.086 -0.032 10.338 1.00 0.00 C ATOM 1205 CD1 TYR A 85 3.785 -0.826 11.436 1.00 0.00 C ATOM 1206 CD2 TYR A 85 5.083 0.924 10.478 1.00 0.00 C ATOM 1207 CE1 TYR A 85 4.449 -0.680 12.630 1.00 0.00 C ATOM 1208 CE2 TYR A 85 5.752 1.081 11.678 1.00 0.00 C ATOM 1209 CZ TYR A 85 5.429 0.273 12.750 1.00 0.00 C ATOM 1210 OH TYR A 85 6.101 0.399 13.945 1.00 0.00 O ATOM 1211 OXT TYR A 85 0.249 0.325 10.433 1.00 0.00 O ATOM 0 H TYR A 85 3.049 1.779 7.602 1.00 0.00 H new ATOM 0 HA TYR A 85 1.301 -0.332 8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.209 -1.320 8.907 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.025 0.073 8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 85 3.012 -1.575 11.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.339 1.553 9.639 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.201 -1.312 13.470 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.523 1.831 11.776 1.00 0.00 H new ATOM 0 HH TYR A 85 6.765 1.116 13.873 1.00 0.00 H new TER 1221 TYR A 85