USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 726 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 60 SER OG : rot -103:sc= 0.705 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.25 K(o=0.96,f=-8.3!) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 160:sc= -1.81 (180deg=-4.38!) USER MOD Set 2.2: A 82 ASN :FLIP amide:sc= -0.184 F(o=-3.4,f=-2) USER MOD Set 3.1: A 7 GLN : amide:sc= -4.25! C(o=-7.1!,f=-11!) USER MOD Set 3.2: A 11 TYR OH : rot 180:sc= -2.83! USER MOD Single : A 1 MET CE :methyl -122:sc= 0 (180deg=-0.0959) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.741 USER MOD Single : A 9 SER OG : rot -17:sc= 0.412 USER MOD Single : A 10 GLN :FLIP amide:sc= 0.538 F(o=-1.9,f=0.54) USER MOD Single : A 12 ASN : amide:sc= -0.92 X(o=-0.92,f=-0.5) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 21 TYR OH : rot -155:sc= -0.138 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 176:sc= -5.2! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -64:sc= -0.606! USER MOD Single : A 46 MET CE :methyl -139:sc= -2.65! (180deg=-6.93!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -75:sc= 0.355 USER MOD Single : A 58 LYS NZ :NH3+ 155:sc= -0.19 (180deg=-0.232) USER MOD Single : A 59 MET CE :methyl 163:sc= -0.0868 (180deg=-0.347) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -173:sc= -0.798 USER MOD Single : A 74 THR OG1 : rot 172:sc= -5.1! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.0564 X(o=0.056,f=-0.16) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -117:sc= 0.792 (180deg=0.137) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -31:sc= 0.915 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -8.648 -11.662 -8.697 1.00 0.00 N ATOM 9 CA PRO A 0 -9.330 -11.147 -7.522 1.00 0.00 C ATOM 10 C PRO A 0 -10.313 -10.037 -7.901 1.00 0.00 C ATOM 11 O PRO A 0 -10.595 -9.829 -9.080 1.00 0.00 O ATOM 12 CB PRO A 0 -8.220 -10.669 -6.600 1.00 0.00 C ATOM 13 CG PRO A 0 -6.990 -10.504 -7.479 1.00 0.00 C ATOM 14 CD PRO A 0 -7.265 -11.203 -8.800 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.159 -11.377 -9.533 1.00 0.00 H new ATOM 0 H3 PRO A 0 -8.662 -12.682 -8.672 1.00 0.00 H new ATOM 0 HA PRO A 0 -9.943 -11.901 -7.027 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.488 -9.727 -6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.037 -11.390 -5.803 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.777 -9.448 -7.643 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.114 -10.935 -6.994 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.135 -10.523 -9.642 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -6.582 -12.038 -8.956 1.00 0.00 H new ATOM 22 N MET A 1 -10.806 -9.354 -6.879 1.00 0.00 N ATOM 23 CA MET A 1 -11.752 -8.271 -7.090 1.00 0.00 C ATOM 24 C MET A 1 -11.101 -7.116 -7.855 1.00 0.00 C ATOM 25 O MET A 1 -11.782 -6.369 -8.555 1.00 0.00 O ATOM 26 CB MET A 1 -12.259 -7.765 -5.738 1.00 0.00 C ATOM 27 CG MET A 1 -13.339 -8.692 -5.176 1.00 0.00 C ATOM 28 SD MET A 1 -14.895 -8.385 -5.996 1.00 0.00 S ATOM 29 CE MET A 1 -15.439 -6.942 -5.096 1.00 0.00 C ATOM 0 H MET A 1 -10.569 -9.529 -5.903 1.00 0.00 H new ATOM 0 HA MET A 1 -12.585 -8.651 -7.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.428 -7.700 -5.035 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.661 -6.758 -5.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.045 -9.732 -5.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.446 -8.531 -4.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.407 -7.143 -4.638 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.713 -6.702 -4.319 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.529 -6.099 -5.781 1.00 0.00 H new ATOM 39 N GLU A 2 -9.790 -7.008 -7.696 1.00 0.00 N ATOM 40 CA GLU A 2 -9.040 -5.958 -8.363 1.00 0.00 C ATOM 41 C GLU A 2 -9.616 -4.586 -8.007 1.00 0.00 C ATOM 42 O GLU A 2 -10.727 -4.250 -8.416 1.00 0.00 O ATOM 43 CB GLU A 2 -9.026 -6.171 -9.878 1.00 0.00 C ATOM 44 CG GLU A 2 -8.008 -7.243 -10.272 1.00 0.00 C ATOM 45 CD GLU A 2 -8.519 -8.079 -11.447 1.00 0.00 C ATOM 46 OE1 GLU A 2 -9.748 -8.305 -11.491 1.00 0.00 O ATOM 47 OE2 GLU A 2 -7.670 -8.473 -12.275 1.00 0.00 O ATOM 0 H GLU A 2 -9.228 -7.630 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.008 -5.998 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.019 -6.466 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.784 -5.233 -10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.063 -6.771 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.809 -7.892 -9.419 1.00 0.00 H new ATOM 54 N PHE A 3 -8.835 -3.829 -7.250 1.00 0.00 N ATOM 55 CA PHE A 3 -9.254 -2.501 -6.835 1.00 0.00 C ATOM 56 C PHE A 3 -8.465 -1.421 -7.577 1.00 0.00 C ATOM 57 O PHE A 3 -7.237 -1.462 -7.619 1.00 0.00 O ATOM 58 CB PHE A 3 -8.964 -2.389 -5.337 1.00 0.00 C ATOM 59 CG PHE A 3 -9.929 -3.185 -4.455 1.00 0.00 C ATOM 60 CD1 PHE A 3 -11.161 -2.684 -4.171 1.00 0.00 C ATOM 61 CD2 PHE A 3 -9.554 -4.393 -3.956 1.00 0.00 C ATOM 62 CE1 PHE A 3 -12.056 -3.422 -3.352 1.00 0.00 C ATOM 63 CE2 PHE A 3 -10.449 -5.131 -3.137 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.681 -4.630 -2.853 1.00 0.00 C ATOM 0 H PHE A 3 -7.914 -4.110 -6.913 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.312 -2.358 -7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -7.947 -2.733 -5.148 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.005 -1.339 -5.047 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -11.459 -1.725 -4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -8.576 -4.791 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -13.034 -3.024 -3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -10.151 -6.090 -2.740 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.362 -5.192 -2.231 1.00 0.00 H new ATOM 74 N THR A 4 -9.204 -0.479 -8.145 1.00 0.00 N ATOM 75 CA THR A 4 -8.590 0.611 -8.884 1.00 0.00 C ATOM 76 C THR A 4 -7.997 1.641 -7.920 1.00 0.00 C ATOM 77 O THR A 4 -8.536 1.866 -6.838 1.00 0.00 O ATOM 78 CB THR A 4 -9.643 1.197 -9.826 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.711 1.575 -8.961 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.262 0.140 -10.742 1.00 0.00 C ATOM 0 H THR A 4 -10.223 -0.448 -8.108 1.00 0.00 H new ATOM 0 HA THR A 4 -7.754 0.257 -9.488 1.00 0.00 H new ATOM 0 HB THR A 4 -9.191 1.982 -10.432 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.437 1.967 -9.490 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.003 0.609 -11.390 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.482 -0.315 -11.352 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.743 -0.629 -10.137 1.00 0.00 H new ATOM 88 N ALA A 5 -6.894 2.238 -8.348 1.00 0.00 N ATOM 89 CA ALA A 5 -6.222 3.239 -7.537 1.00 0.00 C ATOM 90 C ALA A 5 -7.228 4.315 -7.125 1.00 0.00 C ATOM 91 O ALA A 5 -7.059 4.966 -6.095 1.00 0.00 O ATOM 92 CB ALA A 5 -5.037 3.815 -8.315 1.00 0.00 C ATOM 0 H ALA A 5 -6.449 2.048 -9.246 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.827 2.792 -6.625 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.533 4.566 -7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.337 3.015 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.395 4.275 -9.236 1.00 0.00 H new ATOM 98 N GLU A 6 -8.253 4.469 -7.950 1.00 0.00 N ATOM 99 CA GLU A 6 -9.286 5.456 -7.685 1.00 0.00 C ATOM 100 C GLU A 6 -10.150 5.014 -6.501 1.00 0.00 C ATOM 101 O GLU A 6 -10.418 5.802 -5.596 1.00 0.00 O ATOM 102 CB GLU A 6 -10.144 5.700 -8.928 1.00 0.00 C ATOM 103 CG GLU A 6 -10.013 7.146 -9.409 1.00 0.00 C ATOM 104 CD GLU A 6 -10.618 7.318 -10.803 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.293 6.479 -11.671 1.00 0.00 O ATOM 106 OE2 GLU A 6 -11.394 8.284 -10.971 1.00 0.00 O ATOM 0 H GLU A 6 -8.390 3.927 -8.803 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.803 6.398 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.840 5.019 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.188 5.481 -8.703 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.513 7.813 -8.707 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.962 7.433 -9.427 1.00 0.00 H new ATOM 113 N GLN A 7 -10.561 3.755 -6.547 1.00 0.00 N ATOM 114 CA GLN A 7 -11.388 3.200 -5.490 1.00 0.00 C ATOM 115 C GLN A 7 -10.545 2.929 -4.242 1.00 0.00 C ATOM 116 O GLN A 7 -10.985 3.188 -3.123 1.00 0.00 O ATOM 117 CB GLN A 7 -12.097 1.927 -5.959 1.00 0.00 C ATOM 118 CG GLN A 7 -13.600 2.163 -6.115 1.00 0.00 C ATOM 119 CD GLN A 7 -14.286 2.249 -4.750 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.859 2.961 -3.856 1.00 0.00 O ATOM 121 NE2 GLN A 7 -15.370 1.486 -4.640 1.00 0.00 N ATOM 0 H GLN A 7 -10.337 3.104 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.155 3.931 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.676 1.601 -6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -11.924 1.125 -5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -13.771 3.085 -6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -14.040 1.353 -6.697 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -15.673 0.914 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.898 1.473 -3.768 1.00 0.00 H new ATOM 130 N LEU A 8 -9.348 2.411 -4.477 1.00 0.00 N ATOM 131 CA LEU A 8 -8.439 2.103 -3.386 1.00 0.00 C ATOM 132 C LEU A 8 -8.130 3.383 -2.608 1.00 0.00 C ATOM 133 O LEU A 8 -7.986 3.352 -1.387 1.00 0.00 O ATOM 134 CB LEU A 8 -7.194 1.387 -3.913 1.00 0.00 C ATOM 135 CG LEU A 8 -5.950 1.466 -3.026 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.564 0.082 -2.498 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.792 2.140 -3.764 1.00 0.00 C ATOM 0 H LEU A 8 -8.987 2.197 -5.407 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.905 1.410 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.441 0.336 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.946 1.802 -4.890 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.186 2.087 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.677 0.166 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.387 -0.326 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.353 -0.582 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.920 2.183 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.547 1.567 -4.658 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.082 3.151 -4.050 1.00 0.00 H new ATOM 149 N SER A 9 -8.036 4.478 -3.347 1.00 0.00 N ATOM 150 CA SER A 9 -7.746 5.767 -2.742 1.00 0.00 C ATOM 151 C SER A 9 -8.935 6.228 -1.897 1.00 0.00 C ATOM 152 O SER A 9 -8.845 7.227 -1.185 1.00 0.00 O ATOM 153 CB SER A 9 -7.415 6.814 -3.808 1.00 0.00 C ATOM 154 OG SER A 9 -7.212 8.106 -3.242 1.00 0.00 O ATOM 0 H SER A 9 -8.156 4.500 -4.360 1.00 0.00 H new ATOM 0 HA SER A 9 -6.873 5.654 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.519 6.510 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.226 6.860 -4.535 1.00 0.00 H new ATOM 0 HG SER A 9 -7.580 8.127 -2.334 1.00 0.00 H new ATOM 160 N GLN A 10 -10.022 5.477 -2.003 1.00 0.00 N ATOM 161 CA GLN A 10 -11.227 5.796 -1.257 1.00 0.00 C ATOM 162 C GLN A 10 -11.158 5.192 0.147 1.00 0.00 C ATOM 163 O GLN A 10 -11.760 5.716 1.082 1.00 0.00 O ATOM 164 CB GLN A 10 -12.475 5.315 -2.000 1.00 0.00 C ATOM 165 CG GLN A 10 -12.357 5.582 -3.502 1.00 0.00 C ATOM 166 CD GLN A 10 -12.379 7.084 -3.794 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.426 7.720 -3.277 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -11.504 7.629 -4.446 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.093 4.649 -2.594 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.296 6.880 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.617 4.248 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.355 5.822 -1.605 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.432 5.148 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.177 5.093 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.726 7.081 -4.814 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.550 8.633 -4.623 1.00 0.00 H new ATOM 177 N TYR A 11 -10.418 4.098 0.250 1.00 0.00 N ATOM 178 CA TYR A 11 -10.262 3.417 1.524 1.00 0.00 C ATOM 179 C TYR A 11 -8.901 3.730 2.150 1.00 0.00 C ATOM 180 O TYR A 11 -8.065 2.841 2.303 1.00 0.00 O ATOM 181 CB TYR A 11 -10.335 1.921 1.214 1.00 0.00 C ATOM 182 CG TYR A 11 -11.408 1.550 0.188 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.472 2.400 -0.036 1.00 0.00 C ATOM 184 CD2 TYR A 11 -11.311 0.365 -0.513 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.481 2.051 -1.002 1.00 0.00 C ATOM 186 CE2 TYR A 11 -12.321 0.016 -1.479 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.356 0.876 -1.675 1.00 0.00 C ATOM 188 OH TYR A 11 -14.309 0.546 -2.588 1.00 0.00 O ATOM 0 H TYR A 11 -9.920 3.666 -0.528 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.032 3.737 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.364 1.589 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.528 1.378 2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.548 3.327 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.478 -0.300 -0.337 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.318 2.708 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.258 -0.908 -2.035 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.089 -0.319 -2.992 1.00 0.00 H new ATOM 198 N ASN A 12 -8.721 4.997 2.495 1.00 0.00 N ATOM 199 CA ASN A 12 -7.476 5.438 3.100 1.00 0.00 C ATOM 200 C ASN A 12 -7.732 5.824 4.558 1.00 0.00 C ATOM 201 O ASN A 12 -6.872 6.417 5.207 1.00 0.00 O ATOM 202 CB ASN A 12 -6.916 6.664 2.378 1.00 0.00 C ATOM 203 CG ASN A 12 -7.362 7.957 3.065 1.00 0.00 C ATOM 204 OD1 ASN A 12 -6.579 8.668 3.674 1.00 0.00 O ATOM 205 ND2 ASN A 12 -8.659 8.219 2.935 1.00 0.00 N ATOM 0 H ASN A 12 -9.417 5.732 2.367 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.759 4.620 3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.827 6.614 2.361 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.252 6.665 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.055 9.058 3.359 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.258 7.581 2.412 1.00 0.00 H new ATOM 212 N GLY A 13 -8.919 5.472 5.031 1.00 0.00 N ATOM 213 CA GLY A 13 -9.299 5.774 6.400 1.00 0.00 C ATOM 214 C GLY A 13 -9.444 7.283 6.609 1.00 0.00 C ATOM 215 O GLY A 13 -8.475 7.963 6.943 1.00 0.00 O ATOM 0 H GLY A 13 -9.630 4.980 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.240 5.278 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.549 5.379 7.085 1.00 0.00 H new ATOM 219 N THR A 14 -10.661 7.762 6.402 1.00 0.00 N ATOM 220 CA THR A 14 -10.945 9.178 6.563 1.00 0.00 C ATOM 221 C THR A 14 -12.376 9.489 6.118 1.00 0.00 C ATOM 222 O THR A 14 -13.050 10.322 6.722 1.00 0.00 O ATOM 223 CB THR A 14 -9.884 9.964 5.791 1.00 0.00 C ATOM 224 OG1 THR A 14 -9.328 10.845 6.763 1.00 0.00 O ATOM 225 CG2 THR A 14 -10.494 10.900 4.746 1.00 0.00 C ATOM 0 H THR A 14 -11.462 7.195 6.124 1.00 0.00 H new ATOM 0 HA THR A 14 -10.892 9.475 7.610 1.00 0.00 H new ATOM 0 HB THR A 14 -9.202 9.268 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.629 11.392 6.347 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.698 11.434 4.227 1.00 0.00 H new ATOM 0 HG22 THR A 14 -11.069 10.317 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.150 11.617 5.239 1.00 0.00 H new ATOM 293 N PRO A 19 -13.051 1.612 4.019 1.00 0.00 N ATOM 294 CA PRO A 19 -12.068 0.788 4.702 1.00 0.00 C ATOM 295 C PRO A 19 -10.656 1.345 4.511 1.00 0.00 C ATOM 296 O PRO A 19 -10.486 2.450 3.999 1.00 0.00 O ATOM 297 CB PRO A 19 -12.243 -0.603 4.113 1.00 0.00 C ATOM 298 CG PRO A 19 -12.988 -0.409 2.803 1.00 0.00 C ATOM 299 CD PRO A 19 -13.550 1.003 2.790 1.00 0.00 C ATOM 0 HA PRO A 19 -12.213 0.770 5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.278 -1.081 3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.805 -1.246 4.790 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.318 -0.561 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.791 -1.140 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.216 1.554 1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.640 0.995 2.766 1.00 0.00 H new ATOM 307 N ILE A 20 -9.680 0.554 4.932 1.00 0.00 N ATOM 308 CA ILE A 20 -8.289 0.955 4.813 1.00 0.00 C ATOM 309 C ILE A 20 -7.523 -0.106 4.020 1.00 0.00 C ATOM 310 O ILE A 20 -7.184 -1.161 4.554 1.00 0.00 O ATOM 311 CB ILE A 20 -7.693 1.239 6.194 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.671 2.037 7.059 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.336 1.935 6.073 1.00 0.00 C ATOM 314 CD1 ILE A 20 -9.016 1.276 8.340 1.00 0.00 C ATOM 0 H ILE A 20 -9.825 -0.362 5.356 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.208 1.889 4.258 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.523 0.286 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.234 3.003 7.312 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.582 2.237 6.494 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.935 2.125 7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.647 1.296 5.520 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.458 2.880 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.712 1.865 8.937 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.475 0.321 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.106 1.099 8.914 1.00 0.00 H new ATOM 326 N TYR A 21 -7.273 0.210 2.758 1.00 0.00 N ATOM 327 CA TYR A 21 -6.554 -0.703 1.886 1.00 0.00 C ATOM 328 C TYR A 21 -5.269 -0.060 1.360 1.00 0.00 C ATOM 329 O TYR A 21 -5.278 1.091 0.928 1.00 0.00 O ATOM 330 CB TYR A 21 -7.488 -0.984 0.707 1.00 0.00 C ATOM 331 CG TYR A 21 -8.560 -2.036 1.000 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.605 -2.650 2.235 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.481 -2.371 0.029 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.613 -3.641 2.510 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.490 -3.362 0.304 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.506 -3.947 1.531 1.00 0.00 C ATOM 337 OH TYR A 21 -11.458 -4.883 1.791 1.00 0.00 O ATOM 0 H TYR A 21 -7.556 1.086 2.318 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.276 -1.609 2.424 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.976 -0.055 0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.893 -1.314 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.884 -2.387 2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.446 -1.890 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.659 -4.130 3.472 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.217 -3.634 -0.447 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.755 -5.290 0.950 1.00 0.00 H new ATOM 347 N VAL A 22 -4.194 -0.833 1.415 1.00 0.00 N ATOM 348 CA VAL A 22 -2.903 -0.354 0.950 1.00 0.00 C ATOM 349 C VAL A 22 -2.477 -1.161 -0.279 1.00 0.00 C ATOM 350 O VAL A 22 -2.815 -2.337 -0.401 1.00 0.00 O ATOM 351 CB VAL A 22 -1.882 -0.414 2.087 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.615 0.365 1.728 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.488 0.097 3.396 1.00 0.00 C ATOM 0 H VAL A 22 -4.191 -1.788 1.774 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.970 0.691 0.646 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.603 -1.458 2.232 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.094 0.306 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.166 -0.064 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.870 1.408 1.542 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.741 0.044 4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.809 1.131 3.269 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.346 -0.519 3.665 1.00 0.00 H new ATOM 363 N ALA A 23 -1.742 -0.495 -1.158 1.00 0.00 N ATOM 364 CA ALA A 23 -1.267 -1.136 -2.372 1.00 0.00 C ATOM 365 C ALA A 23 0.245 -1.348 -2.274 1.00 0.00 C ATOM 366 O ALA A 23 0.984 -0.427 -1.928 1.00 0.00 O ATOM 367 CB ALA A 23 -1.659 -0.287 -3.584 1.00 0.00 C ATOM 0 H ALA A 23 -1.464 0.481 -1.054 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.730 -2.115 -2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.303 -0.767 -4.495 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.744 -0.190 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.210 0.702 -3.496 1.00 0.00 H new ATOM 373 N ILE A 24 0.661 -2.567 -2.584 1.00 0.00 N ATOM 374 CA ILE A 24 2.071 -2.912 -2.534 1.00 0.00 C ATOM 375 C ILE A 24 2.432 -3.746 -3.765 1.00 0.00 C ATOM 376 O ILE A 24 2.020 -4.900 -3.880 1.00 0.00 O ATOM 377 CB ILE A 24 2.409 -3.596 -1.208 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.451 -2.581 -0.063 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.712 -4.390 -1.317 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.213 -3.142 1.139 1.00 0.00 C ATOM 0 H ILE A 24 0.046 -3.328 -2.871 1.00 0.00 H new ATOM 0 HA ILE A 24 2.684 -2.011 -2.567 1.00 0.00 H new ATOM 0 HB ILE A 24 1.616 -4.308 -0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.928 -1.662 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.435 -2.321 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.929 -4.866 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.609 -5.154 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.528 -3.716 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.228 -2.401 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.719 -4.047 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.235 -3.378 0.844 1.00 0.00 H new ATOM 392 N LYS A 25 3.196 -3.130 -4.655 1.00 0.00 N ATOM 393 CA LYS A 25 3.616 -3.801 -5.873 1.00 0.00 C ATOM 394 C LYS A 25 2.401 -4.014 -6.778 1.00 0.00 C ATOM 395 O LYS A 25 2.471 -4.763 -7.752 1.00 0.00 O ATOM 396 CB LYS A 25 4.370 -5.091 -5.542 1.00 0.00 C ATOM 397 CG LYS A 25 5.608 -4.800 -4.691 1.00 0.00 C ATOM 398 CD LYS A 25 5.766 -5.839 -3.579 1.00 0.00 C ATOM 399 CE LYS A 25 6.569 -7.046 -4.066 1.00 0.00 C ATOM 400 NZ LYS A 25 7.784 -6.604 -4.787 1.00 0.00 N ATOM 0 H LYS A 25 3.535 -2.173 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 25 4.321 -3.180 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.710 -5.775 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.668 -5.589 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.496 -4.800 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.528 -3.804 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.266 -5.387 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.783 -6.165 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.849 -7.670 -3.217 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.952 -7.659 -4.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.474 -7.382 -4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.532 -6.332 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.201 -5.787 -4.296 1.00 0.00 H new ATOM 414 N GLY A 26 1.316 -3.342 -6.425 1.00 0.00 N ATOM 415 CA GLY A 26 0.087 -3.447 -7.193 1.00 0.00 C ATOM 416 C GLY A 26 -0.897 -4.409 -6.524 1.00 0.00 C ATOM 417 O GLY A 26 -1.878 -4.826 -7.138 1.00 0.00 O ATOM 0 H GLY A 26 1.262 -2.722 -5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.371 -2.462 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.313 -3.795 -8.201 1.00 0.00 H new ATOM 421 N ARG A 27 -0.601 -4.732 -5.273 1.00 0.00 N ATOM 422 CA ARG A 27 -1.448 -5.636 -4.514 1.00 0.00 C ATOM 423 C ARG A 27 -2.104 -4.895 -3.347 1.00 0.00 C ATOM 424 O ARG A 27 -1.419 -4.254 -2.551 1.00 0.00 O ATOM 425 CB ARG A 27 -0.643 -6.818 -3.970 1.00 0.00 C ATOM 426 CG ARG A 27 -1.431 -8.123 -4.099 1.00 0.00 C ATOM 427 CD ARG A 27 -0.983 -9.140 -3.047 1.00 0.00 C ATOM 428 NE ARG A 27 -0.662 -10.431 -3.695 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.466 -11.578 -3.030 1.00 0.00 C ATOM 430 NH1 ARG A 27 -0.558 -11.601 -1.693 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.179 -12.701 -3.701 1.00 0.00 N ATOM 0 H ARG A 27 0.213 -4.384 -4.767 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.217 -6.014 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.298 -6.902 -4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.393 -6.642 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.496 -7.922 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.290 -8.540 -5.096 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.109 -8.764 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.771 -9.281 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.585 -10.449 -4.712 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.777 -10.746 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.409 -12.474 -1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.110 -12.684 -4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.030 -13.574 -3.195 1.00 0.00 H new ATOM 445 N VAL A 28 -3.422 -5.007 -3.282 1.00 0.00 N ATOM 446 CA VAL A 28 -4.178 -4.355 -2.226 1.00 0.00 C ATOM 447 C VAL A 28 -4.112 -5.208 -0.957 1.00 0.00 C ATOM 448 O VAL A 28 -4.506 -6.373 -0.967 1.00 0.00 O ATOM 449 CB VAL A 28 -5.610 -4.090 -2.694 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.523 -3.765 -1.510 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.648 -2.973 -3.739 1.00 0.00 C ATOM 0 H VAL A 28 -3.986 -5.540 -3.944 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.743 -3.384 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.982 -5.000 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.535 -3.581 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.532 -4.606 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.153 -2.877 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.678 -2.805 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.247 -2.056 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.047 -3.261 -4.601 1.00 0.00 H new ATOM 461 N PHE A 29 -3.610 -4.594 0.104 1.00 0.00 N ATOM 462 CA PHE A 29 -3.487 -5.282 1.378 1.00 0.00 C ATOM 463 C PHE A 29 -4.386 -4.640 2.437 1.00 0.00 C ATOM 464 O PHE A 29 -4.784 -3.484 2.300 1.00 0.00 O ATOM 465 CB PHE A 29 -2.028 -5.151 1.818 1.00 0.00 C ATOM 466 CG PHE A 29 -1.079 -6.130 1.124 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.163 -7.461 1.387 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.150 -5.668 0.244 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.282 -8.370 0.743 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.731 -6.576 -0.401 1.00 0.00 C ATOM 471 CZ PHE A 29 0.646 -7.908 -0.138 1.00 0.00 C ATOM 0 H PHE A 29 -3.284 -3.628 0.108 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.787 -6.324 1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.690 -4.133 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.969 -5.305 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.900 -7.827 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.083 -4.610 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.349 -9.427 0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.468 -6.209 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.315 -8.599 -0.629 1.00 0.00 H new ATOM 481 N ASP A 30 -4.680 -5.418 3.468 1.00 0.00 N ATOM 482 CA ASP A 30 -5.525 -4.940 4.550 1.00 0.00 C ATOM 483 C ASP A 30 -4.649 -4.561 5.746 1.00 0.00 C ATOM 484 O ASP A 30 -3.857 -5.373 6.222 1.00 0.00 O ATOM 485 CB ASP A 30 -6.503 -6.024 5.005 1.00 0.00 C ATOM 486 CG ASP A 30 -6.887 -5.969 6.485 1.00 0.00 C ATOM 487 OD1 ASP A 30 -5.951 -5.922 7.312 1.00 0.00 O ATOM 488 OD2 ASP A 30 -8.107 -5.974 6.755 1.00 0.00 O ATOM 0 H ASP A 30 -4.348 -6.376 3.577 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.085 -4.079 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.411 -5.947 4.407 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.064 -6.999 4.795 1.00 0.00 H new ATOM 493 N VAL A 31 -4.820 -3.327 6.197 1.00 0.00 N ATOM 494 CA VAL A 31 -4.055 -2.831 7.328 1.00 0.00 C ATOM 495 C VAL A 31 -5.013 -2.252 8.372 1.00 0.00 C ATOM 496 O VAL A 31 -4.578 -1.674 9.366 1.00 0.00 O ATOM 497 CB VAL A 31 -3.010 -1.820 6.851 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.214 -2.373 5.667 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.663 -0.483 6.496 1.00 0.00 C ATOM 0 H VAL A 31 -5.477 -2.656 5.799 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.507 -3.644 7.804 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.314 -1.645 7.671 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.478 -1.635 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.704 -3.288 5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.893 -2.590 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.898 0.217 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.392 -0.634 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.165 -0.078 7.375 1.00 0.00 H new ATOM 509 N THR A 32 -6.300 -2.428 8.109 1.00 0.00 N ATOM 510 CA THR A 32 -7.323 -1.931 9.013 1.00 0.00 C ATOM 511 C THR A 32 -7.046 -2.401 10.442 1.00 0.00 C ATOM 512 O THR A 32 -7.466 -1.759 11.403 1.00 0.00 O ATOM 513 CB THR A 32 -8.685 -2.379 8.478 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.413 -2.745 9.647 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.599 -3.675 7.671 1.00 0.00 C ATOM 0 H THR A 32 -6.657 -2.908 7.283 1.00 0.00 H new ATOM 0 HA THR A 32 -7.317 -0.842 9.056 1.00 0.00 H new ATOM 0 HB THR A 32 -9.108 -1.591 7.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.310 -3.047 9.393 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.592 -3.948 7.315 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.935 -3.530 6.819 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.208 -4.472 8.303 1.00 0.00 H new ATOM 523 N THR A 33 -6.342 -3.520 10.537 1.00 0.00 N ATOM 524 CA THR A 33 -6.005 -4.084 11.833 1.00 0.00 C ATOM 525 C THR A 33 -5.254 -3.057 12.682 1.00 0.00 C ATOM 526 O THR A 33 -5.024 -3.279 13.870 1.00 0.00 O ATOM 527 CB THR A 33 -5.214 -5.372 11.596 1.00 0.00 C ATOM 528 OG1 THR A 33 -3.972 -4.923 11.061 1.00 0.00 O ATOM 529 CG2 THR A 33 -5.812 -6.230 10.479 1.00 0.00 C ATOM 0 H THR A 33 -5.996 -4.051 9.738 1.00 0.00 H new ATOM 0 HA THR A 33 -6.901 -4.335 12.401 1.00 0.00 H new ATOM 0 HB THR A 33 -5.179 -5.951 12.519 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.396 -5.695 10.879 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.213 -7.131 10.352 1.00 0.00 H new ATOM 0 HG22 THR A 33 -6.833 -6.507 10.740 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.817 -5.663 9.548 1.00 0.00 H new ATOM 537 N GLY A 34 -4.892 -1.956 12.040 1.00 0.00 N ATOM 538 CA GLY A 34 -4.172 -0.895 12.722 1.00 0.00 C ATOM 539 C GLY A 34 -4.419 0.456 12.048 1.00 0.00 C ATOM 540 O GLY A 34 -3.483 1.221 11.819 1.00 0.00 O ATOM 0 H GLY A 34 -5.084 -1.776 11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.487 -0.848 13.764 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.105 -1.116 12.721 1.00 0.00 H new ATOM 544 N LYS A 35 -5.685 0.710 11.750 1.00 0.00 N ATOM 545 CA LYS A 35 -6.068 1.955 11.107 1.00 0.00 C ATOM 546 C LYS A 35 -5.441 3.128 11.864 1.00 0.00 C ATOM 547 O LYS A 35 -5.240 4.201 11.297 1.00 0.00 O ATOM 548 CB LYS A 35 -7.590 2.048 10.982 1.00 0.00 C ATOM 549 CG LYS A 35 -8.184 2.879 12.121 1.00 0.00 C ATOM 550 CD LYS A 35 -9.679 2.595 12.283 1.00 0.00 C ATOM 551 CE LYS A 35 -10.391 3.773 12.952 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.750 3.379 13.386 1.00 0.00 N ATOM 0 H LYS A 35 -6.459 0.074 11.942 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.685 1.991 10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.853 2.497 10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.021 1.047 10.994 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.664 2.652 13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.031 3.939 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.124 2.403 11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.819 1.694 12.880 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.813 4.114 13.811 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.453 4.610 12.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.219 4.190 13.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.304 3.075 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.684 2.595 14.066 1.00 0.00 H new ATOM 566 N SER A 36 -5.148 2.884 13.133 1.00 0.00 N ATOM 567 CA SER A 36 -4.548 3.906 13.973 1.00 0.00 C ATOM 568 C SER A 36 -3.236 4.390 13.351 1.00 0.00 C ATOM 569 O SER A 36 -2.729 5.452 13.711 1.00 0.00 O ATOM 570 CB SER A 36 -4.302 3.382 15.389 1.00 0.00 C ATOM 571 OG SER A 36 -5.343 3.761 16.286 1.00 0.00 O ATOM 0 H SER A 36 -5.315 1.993 13.600 1.00 0.00 H new ATOM 0 HA SER A 36 -5.242 4.744 14.041 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.222 2.295 15.365 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.350 3.764 15.757 1.00 0.00 H new ATOM 0 HG SER A 36 -5.151 3.406 17.179 1.00 0.00 H new ATOM 577 N PHE A 37 -2.724 3.588 12.430 1.00 0.00 N ATOM 578 CA PHE A 37 -1.481 3.921 11.755 1.00 0.00 C ATOM 579 C PHE A 37 -1.738 4.339 10.306 1.00 0.00 C ATOM 580 O PHE A 37 -1.156 5.309 9.822 1.00 0.00 O ATOM 581 CB PHE A 37 -0.615 2.660 11.764 1.00 0.00 C ATOM 582 CG PHE A 37 -0.277 2.147 13.165 1.00 0.00 C ATOM 583 CD1 PHE A 37 0.364 2.957 14.049 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.618 0.881 13.526 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.678 2.481 15.350 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.304 0.404 14.826 1.00 0.00 C ATOM 587 CZ PHE A 37 0.337 1.214 15.711 1.00 0.00 C ATOM 0 H PHE A 37 -3.147 2.708 12.135 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.993 4.753 12.263 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.132 1.873 11.215 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.313 2.865 11.230 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.634 3.962 13.762 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.128 0.238 12.824 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.187 3.124 16.052 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.574 -0.602 15.112 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.575 0.852 16.700 1.00 0.00 H new ATOM 597 N TYR A 38 -2.611 3.586 9.653 1.00 0.00 N ATOM 598 CA TYR A 38 -2.953 3.866 8.269 1.00 0.00 C ATOM 599 C TYR A 38 -4.212 4.731 8.179 1.00 0.00 C ATOM 600 O TYR A 38 -4.297 5.625 7.338 1.00 0.00 O ATOM 601 CB TYR A 38 -3.234 2.508 7.621 1.00 0.00 C ATOM 602 CG TYR A 38 -2.170 2.067 6.614 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.029 2.742 5.419 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.351 0.994 6.901 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.027 2.327 4.472 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.350 0.578 5.954 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.237 1.265 4.786 1.00 0.00 C ATOM 608 OH TYR A 38 0.709 0.873 3.891 1.00 0.00 O ATOM 0 H TYR A 38 -3.092 2.782 10.057 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.145 4.406 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.314 1.753 8.403 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.200 2.550 7.118 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.670 3.581 5.194 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.461 0.466 7.837 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.905 2.847 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.297 -0.261 6.166 1.00 0.00 H new ATOM 0 HH TYR A 38 1.241 0.145 4.275 1.00 0.00 H new ATOM 618 N GLY A 39 -5.159 4.434 9.056 1.00 0.00 N ATOM 619 CA GLY A 39 -6.410 5.173 9.087 1.00 0.00 C ATOM 620 C GLY A 39 -6.156 6.682 9.068 1.00 0.00 C ATOM 621 O GLY A 39 -5.007 7.121 9.049 1.00 0.00 O ATOM 0 H GLY A 39 -5.085 3.691 9.751 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.023 4.893 8.230 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.972 4.906 9.982 1.00 0.00 H new ATOM 625 N SER A 40 -7.247 7.433 9.072 1.00 0.00 N ATOM 626 CA SER A 40 -7.156 8.883 9.056 1.00 0.00 C ATOM 627 C SER A 40 -5.980 9.344 9.920 1.00 0.00 C ATOM 628 O SER A 40 -5.816 8.883 11.048 1.00 0.00 O ATOM 629 CB SER A 40 -8.457 9.522 9.546 1.00 0.00 C ATOM 630 OG SER A 40 -8.396 9.865 10.928 1.00 0.00 O ATOM 0 H SER A 40 -8.198 7.065 9.086 1.00 0.00 H new ATOM 0 HA SER A 40 -6.990 9.203 8.027 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.665 10.417 8.959 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.285 8.832 9.380 1.00 0.00 H new ATOM 0 HG SER A 40 -9.245 10.271 11.202 1.00 0.00 H new ATOM 636 N GLY A 41 -5.193 10.249 9.357 1.00 0.00 N ATOM 637 CA GLY A 41 -4.037 10.778 10.061 1.00 0.00 C ATOM 638 C GLY A 41 -3.362 9.691 10.899 1.00 0.00 C ATOM 639 O GLY A 41 -3.600 9.591 12.102 1.00 0.00 O ATOM 0 H GLY A 41 -5.333 10.630 8.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.324 11.184 9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.345 11.601 10.706 1.00 0.00 H new ATOM 643 N GLY A 42 -2.532 8.903 10.231 1.00 0.00 N ATOM 644 CA GLY A 42 -1.820 7.827 10.899 1.00 0.00 C ATOM 645 C GLY A 42 -0.401 7.683 10.347 1.00 0.00 C ATOM 646 O GLY A 42 -0.013 8.401 9.427 1.00 0.00 O ATOM 0 H GLY A 42 -2.337 8.989 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.779 8.023 11.970 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.362 6.891 10.767 1.00 0.00 H new ATOM 650 N ASP A 43 0.336 6.749 10.933 1.00 0.00 N ATOM 651 CA ASP A 43 1.704 6.502 10.511 1.00 0.00 C ATOM 652 C ASP A 43 1.759 6.441 8.984 1.00 0.00 C ATOM 653 O ASP A 43 2.577 7.116 8.361 1.00 0.00 O ATOM 654 CB ASP A 43 2.215 5.167 11.057 1.00 0.00 C ATOM 655 CG ASP A 43 2.407 5.119 12.574 1.00 0.00 C ATOM 656 OD1 ASP A 43 2.064 6.132 13.221 1.00 0.00 O ATOM 657 OD2 ASP A 43 2.893 4.071 13.051 1.00 0.00 O ATOM 0 H ASP A 43 0.011 6.155 11.696 1.00 0.00 H new ATOM 0 HA ASP A 43 2.327 7.311 10.894 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.515 4.382 10.770 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.167 4.936 10.578 1.00 0.00 H new ATOM 662 N TYR A 44 0.878 5.626 8.423 1.00 0.00 N ATOM 663 CA TYR A 44 0.816 5.468 6.980 1.00 0.00 C ATOM 664 C TYR A 44 -0.286 6.343 6.380 1.00 0.00 C ATOM 665 O TYR A 44 -1.180 5.842 5.699 1.00 0.00 O ATOM 666 CB TYR A 44 0.475 3.997 6.731 1.00 0.00 C ATOM 667 CG TYR A 44 1.095 3.034 7.746 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.467 2.924 7.843 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.282 2.276 8.564 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.051 2.017 8.798 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.865 1.370 9.519 1.00 0.00 C ATOM 672 CZ TYR A 44 2.221 1.285 9.589 1.00 0.00 C ATOM 673 OH TYR A 44 2.772 0.429 10.491 1.00 0.00 O ATOM 0 H TYR A 44 0.201 5.068 8.942 1.00 0.00 H new ATOM 0 HA TYR A 44 1.760 5.762 6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.608 3.878 6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.811 3.721 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.103 3.518 7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.792 2.362 8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.123 1.920 8.884 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.240 0.771 10.165 1.00 0.00 H new ATOM 0 HH TYR A 44 2.060 -0.026 10.987 1.00 0.00 H new ATOM 683 N SER A 45 -0.186 7.635 6.653 1.00 0.00 N ATOM 684 CA SER A 45 -1.163 8.585 6.149 1.00 0.00 C ATOM 685 C SER A 45 -0.961 8.795 4.647 1.00 0.00 C ATOM 686 O SER A 45 -1.923 9.013 3.912 1.00 0.00 O ATOM 687 CB SER A 45 -1.067 9.921 6.889 1.00 0.00 C ATOM 688 OG SER A 45 -1.846 9.927 8.082 1.00 0.00 O ATOM 0 H SER A 45 0.557 8.047 7.217 1.00 0.00 H new ATOM 0 HA SER A 45 -2.158 8.176 6.323 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.025 10.125 7.135 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.403 10.724 6.233 1.00 0.00 H new ATOM 0 HG SER A 45 -2.794 9.833 7.854 1.00 0.00 H new ATOM 694 N MET A 46 0.297 8.723 4.236 1.00 0.00 N ATOM 695 CA MET A 46 0.637 8.903 2.835 1.00 0.00 C ATOM 696 C MET A 46 0.436 7.605 2.050 1.00 0.00 C ATOM 697 O MET A 46 0.259 7.632 0.833 1.00 0.00 O ATOM 698 CB MET A 46 2.096 9.350 2.717 1.00 0.00 C ATOM 699 CG MET A 46 3.019 8.421 3.508 1.00 0.00 C ATOM 700 SD MET A 46 3.440 9.167 5.074 1.00 0.00 S ATOM 701 CE MET A 46 3.808 10.829 4.536 1.00 0.00 C ATOM 0 H MET A 46 1.092 8.543 4.848 1.00 0.00 H new ATOM 0 HA MET A 46 -0.021 9.664 2.416 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.394 9.358 1.669 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.198 10.371 3.086 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.528 7.462 3.673 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.925 8.221 2.936 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.686 11.197 5.067 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.006 10.829 3.464 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.957 11.477 4.748 1.00 0.00 H new ATOM 711 N PHE A 47 0.469 6.499 2.780 1.00 0.00 N ATOM 712 CA PHE A 47 0.292 5.193 2.168 1.00 0.00 C ATOM 713 C PHE A 47 -1.192 4.856 2.014 1.00 0.00 C ATOM 714 O PHE A 47 -1.591 4.225 1.036 1.00 0.00 O ATOM 715 CB PHE A 47 0.941 4.170 3.102 1.00 0.00 C ATOM 716 CG PHE A 47 2.419 4.440 3.390 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.090 5.384 2.677 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.063 3.735 4.359 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.462 5.635 2.944 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.435 3.986 4.626 1.00 0.00 C ATOM 721 CZ PHE A 47 5.105 4.930 3.913 1.00 0.00 C ATOM 0 H PHE A 47 0.616 6.481 3.789 1.00 0.00 H new ATOM 0 HA PHE A 47 0.744 5.183 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.394 4.156 4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.843 3.178 2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.579 5.943 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.531 2.985 4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.994 6.385 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.946 3.427 5.396 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.149 5.120 4.116 1.00 0.00 H new ATOM 731 N ALA A 48 -1.970 5.293 2.993 1.00 0.00 N ATOM 732 CA ALA A 48 -3.402 5.046 2.979 1.00 0.00 C ATOM 733 C ALA A 48 -3.961 5.389 1.596 1.00 0.00 C ATOM 734 O ALA A 48 -3.627 6.429 1.029 1.00 0.00 O ATOM 735 CB ALA A 48 -4.070 5.851 4.095 1.00 0.00 C ATOM 0 H ALA A 48 -1.636 5.817 3.802 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.612 3.993 3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.144 5.666 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.659 5.548 5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.884 6.914 3.939 1.00 0.00 H new ATOM 741 N GLY A 49 -4.801 4.496 1.094 1.00 0.00 N ATOM 742 CA GLY A 49 -5.409 4.692 -0.211 1.00 0.00 C ATOM 743 C GLY A 49 -4.352 5.039 -1.261 1.00 0.00 C ATOM 744 O GLY A 49 -4.625 5.788 -2.198 1.00 0.00 O ATOM 0 H GLY A 49 -5.075 3.635 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.939 3.787 -0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.148 5.491 -0.156 1.00 0.00 H new ATOM 748 N LYS A 50 -3.167 4.477 -1.071 1.00 0.00 N ATOM 749 CA LYS A 50 -2.069 4.717 -1.991 1.00 0.00 C ATOM 750 C LYS A 50 -1.062 3.569 -1.887 1.00 0.00 C ATOM 751 O LYS A 50 -0.943 2.936 -0.839 1.00 0.00 O ATOM 752 CB LYS A 50 -1.455 6.097 -1.744 1.00 0.00 C ATOM 753 CG LYS A 50 -2.466 7.207 -2.038 1.00 0.00 C ATOM 754 CD LYS A 50 -1.772 8.565 -2.150 1.00 0.00 C ATOM 755 CE LYS A 50 -1.110 8.732 -3.520 1.00 0.00 C ATOM 756 NZ LYS A 50 -0.263 9.945 -3.542 1.00 0.00 N ATOM 0 H LYS A 50 -2.944 3.856 -0.293 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.430 4.733 -3.019 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.120 6.170 -0.709 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.575 6.226 -2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.994 6.987 -2.966 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.214 7.241 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.498 9.362 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.021 8.659 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.505 7.854 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.875 8.801 -4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.178 10.043 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.849 10.781 -3.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.478 9.864 -2.817 1.00 0.00 H new ATOM 770 N ASP A 51 -0.363 3.336 -2.988 1.00 0.00 N ATOM 771 CA ASP A 51 0.629 2.276 -3.034 1.00 0.00 C ATOM 772 C ASP A 51 1.989 2.837 -2.614 1.00 0.00 C ATOM 773 O ASP A 51 2.723 3.378 -3.441 1.00 0.00 O ATOM 774 CB ASP A 51 0.767 1.711 -4.449 1.00 0.00 C ATOM 775 CG ASP A 51 1.782 0.576 -4.596 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.520 0.344 -3.615 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.796 -0.035 -5.687 1.00 0.00 O ATOM 0 H ASP A 51 -0.464 3.863 -3.855 1.00 0.00 H new ATOM 0 HA ASP A 51 0.306 1.483 -2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.208 1.351 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.050 2.521 -5.121 1.00 0.00 H new ATOM 782 N ALA A 52 2.284 2.691 -1.331 1.00 0.00 N ATOM 783 CA ALA A 52 3.543 3.177 -0.792 1.00 0.00 C ATOM 784 C ALA A 52 4.627 2.119 -1.008 1.00 0.00 C ATOM 785 O ALA A 52 5.347 1.764 -0.076 1.00 0.00 O ATOM 786 CB ALA A 52 3.362 3.533 0.685 1.00 0.00 C ATOM 0 H ALA A 52 1.673 2.243 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 52 3.858 4.083 -1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.306 3.898 1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.602 4.308 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.049 2.647 1.237 1.00 0.00 H new ATOM 792 N SER A 53 4.710 1.646 -2.243 1.00 0.00 N ATOM 793 CA SER A 53 5.694 0.636 -2.593 1.00 0.00 C ATOM 794 C SER A 53 7.081 1.273 -2.701 1.00 0.00 C ATOM 795 O SER A 53 8.051 0.754 -2.151 1.00 0.00 O ATOM 796 CB SER A 53 5.326 -0.060 -3.905 1.00 0.00 C ATOM 797 OG SER A 53 5.080 0.873 -4.954 1.00 0.00 O ATOM 0 H SER A 53 4.112 1.944 -3.014 1.00 0.00 H new ATOM 0 HA SER A 53 5.707 -0.117 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.134 -0.731 -4.198 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.440 -0.676 -3.752 1.00 0.00 H new ATOM 0 HG SER A 53 4.202 1.289 -4.823 1.00 0.00 H new ATOM 803 N ARG A 54 7.131 2.389 -3.414 1.00 0.00 N ATOM 804 CA ARG A 54 8.383 3.102 -3.601 1.00 0.00 C ATOM 805 C ARG A 54 8.906 3.617 -2.258 1.00 0.00 C ATOM 806 O ARG A 54 10.080 3.440 -1.936 1.00 0.00 O ATOM 807 CB ARG A 54 8.207 4.282 -4.558 1.00 0.00 C ATOM 808 CG ARG A 54 7.193 3.952 -5.655 1.00 0.00 C ATOM 809 CD ARG A 54 7.700 4.406 -7.025 1.00 0.00 C ATOM 810 NE ARG A 54 7.895 5.873 -7.032 1.00 0.00 N ATOM 811 CZ ARG A 54 8.581 6.535 -7.974 1.00 0.00 C ATOM 812 NH1 ARG A 54 9.142 5.865 -8.990 1.00 0.00 N ATOM 813 NH2 ARG A 54 8.707 7.867 -7.899 1.00 0.00 N ATOM 0 H ARG A 54 6.325 2.817 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 54 9.101 2.404 -4.031 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.875 5.159 -4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.166 4.535 -5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.005 2.878 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.243 4.439 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.639 3.905 -7.259 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.986 4.122 -7.798 1.00 0.00 H new ATOM 0 HE ARG A 54 7.482 6.414 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.047 4.851 -9.047 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.664 6.369 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.281 8.377 -7.125 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.229 8.371 -8.616 1.00 0.00 H new ATOM 827 N ALA A 55 8.010 4.245 -1.511 1.00 0.00 N ATOM 828 CA ALA A 55 8.366 4.787 -0.211 1.00 0.00 C ATOM 829 C ALA A 55 8.902 3.661 0.676 1.00 0.00 C ATOM 830 O ALA A 55 9.875 3.851 1.404 1.00 0.00 O ATOM 831 CB ALA A 55 7.150 5.484 0.402 1.00 0.00 C ATOM 0 H ALA A 55 7.037 4.391 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 55 9.154 5.534 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.417 5.891 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.826 6.293 -0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.339 4.765 0.518 1.00 0.00 H new ATOM 837 N LEU A 56 8.244 2.515 0.586 1.00 0.00 N ATOM 838 CA LEU A 56 8.643 1.360 1.371 1.00 0.00 C ATOM 839 C LEU A 56 10.099 1.012 1.057 1.00 0.00 C ATOM 840 O LEU A 56 10.851 0.612 1.944 1.00 0.00 O ATOM 841 CB LEU A 56 7.672 0.199 1.147 1.00 0.00 C ATOM 842 CG LEU A 56 6.537 0.067 2.165 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.883 1.423 2.436 1.00 0.00 C ATOM 844 CD2 LEU A 56 5.518 -0.982 1.717 1.00 0.00 C ATOM 0 H LEU A 56 7.437 2.362 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 56 8.592 1.588 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.233 0.305 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.242 -0.730 1.146 1.00 0.00 H new ATOM 0 HG LEU A 56 6.962 -0.279 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.080 1.301 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.628 2.114 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.475 1.822 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.722 -1.056 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.093 -0.690 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.011 -1.949 1.617 1.00 0.00 H new ATOM 856 N GLY A 57 10.454 1.179 -0.209 1.00 0.00 N ATOM 857 CA GLY A 57 11.807 0.888 -0.651 1.00 0.00 C ATOM 858 C GLY A 57 12.816 1.820 0.022 1.00 0.00 C ATOM 859 O GLY A 57 13.455 1.445 1.004 1.00 0.00 O ATOM 0 H GLY A 57 9.828 1.512 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.054 -0.148 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.871 0.998 -1.734 1.00 0.00 H new ATOM 863 N LYS A 58 12.929 3.018 -0.533 1.00 0.00 N ATOM 864 CA LYS A 58 13.850 4.007 0.002 1.00 0.00 C ATOM 865 C LYS A 58 13.521 4.259 1.474 1.00 0.00 C ATOM 866 O LYS A 58 14.392 4.653 2.249 1.00 0.00 O ATOM 867 CB LYS A 58 13.834 5.273 -0.858 1.00 0.00 C ATOM 868 CG LYS A 58 14.054 4.936 -2.334 1.00 0.00 C ATOM 869 CD LYS A 58 13.210 5.841 -3.234 1.00 0.00 C ATOM 870 CE LYS A 58 12.455 5.021 -4.282 1.00 0.00 C ATOM 871 NZ LYS A 58 12.870 5.415 -5.647 1.00 0.00 N ATOM 0 H LYS A 58 12.398 3.326 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 58 14.874 3.636 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.881 5.787 -0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.611 5.958 -0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.109 5.050 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.795 3.893 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.501 6.404 -2.627 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.853 6.568 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 58 12.648 3.959 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.382 5.170 -4.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.705 4.624 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.316 6.240 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.881 5.658 -5.646 1.00 0.00 H new ATOM 885 N MET A 59 12.263 4.022 1.817 1.00 0.00 N ATOM 886 CA MET A 59 11.809 4.219 3.183 1.00 0.00 C ATOM 887 C MET A 59 11.794 5.705 3.546 1.00 0.00 C ATOM 888 O MET A 59 12.334 6.101 4.578 1.00 0.00 O ATOM 889 CB MET A 59 12.736 3.469 4.142 1.00 0.00 C ATOM 890 CG MET A 59 12.874 2.000 3.734 1.00 0.00 C ATOM 891 SD MET A 59 14.597 1.535 3.702 1.00 0.00 S ATOM 892 CE MET A 59 14.647 0.437 5.109 1.00 0.00 C ATOM 0 H MET A 59 11.544 3.695 1.172 1.00 0.00 H new ATOM 0 HA MET A 59 10.793 3.833 3.268 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.718 3.942 4.149 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.344 3.533 5.157 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.331 1.367 4.435 1.00 0.00 H new ATOM 0 HG3 MET A 59 12.428 1.843 2.752 1.00 0.00 H new ATOM 0 HE1 MET A 59 15.549 -0.173 5.063 1.00 0.00 H new ATOM 0 HE2 MET A 59 14.652 1.023 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.770 -0.211 5.096 1.00 0.00 H new ATOM 902 N SER A 60 11.168 6.487 2.679 1.00 0.00 N ATOM 903 CA SER A 60 11.075 7.921 2.896 1.00 0.00 C ATOM 904 C SER A 60 9.662 8.290 3.351 1.00 0.00 C ATOM 905 O SER A 60 9.444 9.372 3.895 1.00 0.00 O ATOM 906 CB SER A 60 11.443 8.695 1.628 1.00 0.00 C ATOM 907 OG SER A 60 12.016 9.965 1.926 1.00 0.00 O ATOM 0 H SER A 60 10.720 6.155 1.825 1.00 0.00 H new ATOM 0 HA SER A 60 11.785 8.196 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.147 8.109 1.037 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.552 8.834 1.016 1.00 0.00 H new ATOM 0 HG SER A 60 11.349 10.668 1.778 1.00 0.00 H new ATOM 913 N LYS A 61 8.738 7.371 3.112 1.00 0.00 N ATOM 914 CA LYS A 61 7.352 7.586 3.491 1.00 0.00 C ATOM 915 C LYS A 61 6.817 8.824 2.767 1.00 0.00 C ATOM 916 O LYS A 61 5.764 9.350 3.126 1.00 0.00 O ATOM 917 CB LYS A 61 7.217 7.658 5.013 1.00 0.00 C ATOM 918 CG LYS A 61 7.841 6.429 5.677 1.00 0.00 C ATOM 919 CD LYS A 61 8.756 6.835 6.834 1.00 0.00 C ATOM 920 CE LYS A 61 9.543 5.633 7.360 1.00 0.00 C ATOM 921 NZ LYS A 61 8.901 5.085 8.576 1.00 0.00 N ATOM 0 H LYS A 61 8.922 6.475 2.660 1.00 0.00 H new ATOM 0 HA LYS A 61 6.737 6.742 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.702 8.561 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.164 7.728 5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.054 5.771 6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.411 5.863 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.447 7.609 6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.160 7.265 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.597 4.862 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.567 5.932 7.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.448 4.270 8.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.871 5.818 9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.932 4.782 8.350 1.00 0.00 H new ATOM 935 N ASN A 62 7.565 9.252 1.761 1.00 0.00 N ATOM 936 CA ASN A 62 7.179 10.417 0.985 1.00 0.00 C ATOM 937 C ASN A 62 5.838 10.146 0.299 1.00 0.00 C ATOM 938 O ASN A 62 5.600 9.044 -0.192 1.00 0.00 O ATOM 939 CB ASN A 62 8.212 10.723 -0.101 1.00 0.00 C ATOM 940 CG ASN A 62 9.438 11.422 0.489 1.00 0.00 C ATOM 941 OD1 ASN A 62 9.940 11.067 1.543 1.00 0.00 O ATOM 942 ND2 ASN A 62 9.890 12.434 -0.246 1.00 0.00 N ATOM 0 H ASN A 62 8.437 8.812 1.466 1.00 0.00 H new ATOM 0 HA ASN A 62 7.108 11.266 1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.517 9.797 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.763 11.355 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.704 12.965 0.063 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.423 12.679 -1.119 1.00 0.00 H new ATOM 949 N GLU A 63 4.998 11.171 0.287 1.00 0.00 N ATOM 950 CA GLU A 63 3.688 11.057 -0.330 1.00 0.00 C ATOM 951 C GLU A 63 3.821 11.012 -1.854 1.00 0.00 C ATOM 952 O GLU A 63 2.917 10.547 -2.546 1.00 0.00 O ATOM 953 CB GLU A 63 2.774 12.204 0.106 1.00 0.00 C ATOM 954 CG GLU A 63 1.335 11.720 0.291 1.00 0.00 C ATOM 955 CD GLU A 63 0.376 12.492 -0.617 1.00 0.00 C ATOM 956 OE1 GLU A 63 0.795 12.803 -1.753 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.756 12.754 -0.154 1.00 0.00 O ATOM 0 H GLU A 63 5.200 12.084 0.695 1.00 0.00 H new ATOM 0 HA GLU A 63 3.231 10.125 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.141 12.631 1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.801 12.998 -0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.274 10.655 0.068 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.036 11.845 1.332 1.00 0.00 H new ATOM 964 N GLU A 64 4.956 11.500 -2.332 1.00 0.00 N ATOM 965 CA GLU A 64 5.220 11.521 -3.760 1.00 0.00 C ATOM 966 C GLU A 64 5.911 10.226 -4.192 1.00 0.00 C ATOM 967 O GLU A 64 5.864 9.854 -5.363 1.00 0.00 O ATOM 968 CB GLU A 64 6.055 12.743 -4.146 1.00 0.00 C ATOM 969 CG GLU A 64 5.575 13.992 -3.404 1.00 0.00 C ATOM 970 CD GLU A 64 4.854 14.951 -4.353 1.00 0.00 C ATOM 971 OE1 GLU A 64 5.523 15.424 -5.298 1.00 0.00 O ATOM 972 OE2 GLU A 64 3.651 15.190 -4.113 1.00 0.00 O ATOM 0 H GLU A 64 5.704 11.884 -1.755 1.00 0.00 H new ATOM 0 HA GLU A 64 4.267 11.593 -4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.104 12.559 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.990 12.907 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.904 13.703 -2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.426 14.498 -2.948 1.00 0.00 H new ATOM 979 N ASP A 65 6.537 9.576 -3.222 1.00 0.00 N ATOM 980 CA ASP A 65 7.237 8.330 -3.487 1.00 0.00 C ATOM 981 C ASP A 65 6.215 7.219 -3.734 1.00 0.00 C ATOM 982 O ASP A 65 6.332 6.466 -4.700 1.00 0.00 O ATOM 983 CB ASP A 65 8.102 7.921 -2.294 1.00 0.00 C ATOM 984 CG ASP A 65 9.527 8.478 -2.306 1.00 0.00 C ATOM 985 OD1 ASP A 65 9.712 9.547 -2.927 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.399 7.823 -1.695 1.00 0.00 O ATOM 0 H ASP A 65 6.574 9.888 -2.252 1.00 0.00 H new ATOM 0 HA ASP A 65 7.873 8.479 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.609 8.247 -1.378 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.154 6.833 -2.258 1.00 0.00 H new ATOM 991 N VAL A 66 5.236 7.150 -2.844 1.00 0.00 N ATOM 992 CA VAL A 66 4.194 6.143 -2.953 1.00 0.00 C ATOM 993 C VAL A 66 3.667 6.115 -4.389 1.00 0.00 C ATOM 994 O VAL A 66 3.131 7.109 -4.876 1.00 0.00 O ATOM 995 CB VAL A 66 3.099 6.409 -1.918 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.092 7.878 -1.492 1.00 0.00 C ATOM 997 CG2 VAL A 66 1.728 5.985 -2.450 1.00 0.00 C ATOM 0 H VAL A 66 5.142 7.775 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 66 4.594 5.153 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 66 3.317 5.806 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.304 8.040 -0.756 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.056 8.134 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.910 8.508 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.967 6.185 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.499 6.548 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.740 4.920 -2.680 1.00 0.00 H new ATOM 1007 N SER A 67 3.836 4.965 -5.025 1.00 0.00 N ATOM 1008 CA SER A 67 3.384 4.795 -6.395 1.00 0.00 C ATOM 1009 C SER A 67 2.683 3.444 -6.550 1.00 0.00 C ATOM 1010 O SER A 67 3.162 2.430 -6.045 1.00 0.00 O ATOM 1011 CB SER A 67 4.551 4.903 -7.378 1.00 0.00 C ATOM 1012 OG SER A 67 4.172 5.555 -8.588 1.00 0.00 O ATOM 0 H SER A 67 4.280 4.142 -4.617 1.00 0.00 H new ATOM 0 HA SER A 67 2.677 5.593 -6.624 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.369 5.452 -6.911 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.926 3.905 -7.606 1.00 0.00 H new ATOM 0 HG SER A 67 4.945 5.606 -9.188 1.00 0.00 H new ATOM 1018 N PRO A 68 1.529 3.474 -7.270 1.00 0.00 N ATOM 1019 CA PRO A 68 0.757 2.264 -7.498 1.00 0.00 C ATOM 1020 C PRO A 68 1.428 1.375 -8.547 1.00 0.00 C ATOM 1021 O PRO A 68 0.860 0.369 -8.967 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.619 2.750 -7.923 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.433 4.192 -8.366 1.00 0.00 C ATOM 1024 CD PRO A 68 0.931 4.656 -7.883 1.00 0.00 C ATOM 0 HA PRO A 68 0.686 1.636 -6.610 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.015 2.140 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.329 2.683 -7.098 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.500 4.270 -9.451 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.219 4.823 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.539 5.024 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 68 0.841 5.471 -7.165 1.00 0.00 H new ATOM 1032 N SER A 69 2.627 1.779 -8.939 1.00 0.00 N ATOM 1033 CA SER A 69 3.382 1.032 -9.930 1.00 0.00 C ATOM 1034 C SER A 69 4.875 1.091 -9.605 1.00 0.00 C ATOM 1035 O SER A 69 5.409 2.159 -9.312 1.00 0.00 O ATOM 1036 CB SER A 69 3.124 1.570 -11.339 1.00 0.00 C ATOM 1037 OG SER A 69 4.206 2.369 -11.812 1.00 0.00 O ATOM 0 H SER A 69 3.095 2.615 -8.588 1.00 0.00 H new ATOM 0 HA SER A 69 3.051 -0.006 -9.900 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.964 0.736 -12.022 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.209 2.162 -11.339 1.00 0.00 H new ATOM 0 HG SER A 69 3.958 2.783 -12.665 1.00 0.00 H new ATOM 1043 N LEU A 70 5.508 -0.072 -9.668 1.00 0.00 N ATOM 1044 CA LEU A 70 6.930 -0.166 -9.383 1.00 0.00 C ATOM 1045 C LEU A 70 7.721 0.106 -10.664 1.00 0.00 C ATOM 1046 O LEU A 70 8.869 -0.316 -10.790 1.00 0.00 O ATOM 1047 CB LEU A 70 7.258 -1.512 -8.733 1.00 0.00 C ATOM 1048 CG LEU A 70 6.846 -2.756 -9.521 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.889 -2.490 -11.027 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.701 -3.963 -9.128 1.00 0.00 C ATOM 0 H LEU A 70 5.062 -0.956 -9.912 1.00 0.00 H new ATOM 0 HA LEU A 70 7.224 0.593 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.333 -1.556 -8.559 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.775 -1.549 -7.756 1.00 0.00 H new ATOM 0 HG LEU A 70 5.814 -2.996 -9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.592 -3.391 -11.564 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.204 -1.678 -11.273 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.902 -2.211 -11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.387 -4.834 -9.703 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.749 -3.749 -9.336 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.576 -4.166 -8.064 1.00 0.00 H new ATOM 1062 N GLU A 71 7.075 0.811 -11.582 1.00 0.00 N ATOM 1063 CA GLU A 71 7.704 1.145 -12.848 1.00 0.00 C ATOM 1064 C GLU A 71 8.838 2.148 -12.629 1.00 0.00 C ATOM 1065 O GLU A 71 8.818 3.245 -13.187 1.00 0.00 O ATOM 1066 CB GLU A 71 6.677 1.687 -13.844 1.00 0.00 C ATOM 1067 CG GLU A 71 6.065 0.555 -14.672 1.00 0.00 C ATOM 1068 CD GLU A 71 5.611 1.061 -16.042 1.00 0.00 C ATOM 1069 OE1 GLU A 71 6.387 1.831 -16.649 1.00 0.00 O ATOM 1070 OE2 GLU A 71 4.498 0.667 -16.452 1.00 0.00 O ATOM 0 H GLU A 71 6.123 1.160 -11.474 1.00 0.00 H new ATOM 0 HA GLU A 71 8.128 0.235 -13.272 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.890 2.217 -13.308 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.154 2.410 -14.506 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.796 -0.243 -14.799 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.216 0.128 -14.139 1.00 0.00 H new ATOM 1077 N GLY A 72 9.800 1.737 -11.817 1.00 0.00 N ATOM 1078 CA GLY A 72 10.941 2.587 -11.517 1.00 0.00 C ATOM 1079 C GLY A 72 11.666 2.107 -10.258 1.00 0.00 C ATOM 1080 O GLY A 72 12.864 2.338 -10.102 1.00 0.00 O ATOM 0 H GLY A 72 9.814 0.827 -11.357 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.631 2.587 -12.361 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.607 3.615 -11.379 1.00 0.00 H new ATOM 1084 N LEU A 73 10.909 1.449 -9.393 1.00 0.00 N ATOM 1085 CA LEU A 73 11.465 0.935 -8.152 1.00 0.00 C ATOM 1086 C LEU A 73 12.780 0.213 -8.448 1.00 0.00 C ATOM 1087 O LEU A 73 12.784 -0.843 -9.079 1.00 0.00 O ATOM 1088 CB LEU A 73 10.437 0.067 -7.424 1.00 0.00 C ATOM 1089 CG LEU A 73 9.857 0.653 -6.135 1.00 0.00 C ATOM 1090 CD1 LEU A 73 8.375 0.992 -6.305 1.00 0.00 C ATOM 1091 CD2 LEU A 73 10.098 -0.285 -4.950 1.00 0.00 C ATOM 0 H LEU A 73 9.916 1.260 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 73 11.697 1.753 -7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.614 -0.138 -8.109 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.901 -0.890 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 73 10.378 1.586 -5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.988 1.407 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.258 1.724 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.821 0.088 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.676 0.155 -4.046 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.620 -1.245 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.169 -0.433 -4.815 1.00 0.00 H new ATOM 1103 N THR A 74 13.866 0.810 -7.979 1.00 0.00 N ATOM 1104 CA THR A 74 15.185 0.237 -8.186 1.00 0.00 C ATOM 1105 C THR A 74 15.425 -0.913 -7.206 1.00 0.00 C ATOM 1106 O THR A 74 14.509 -1.337 -6.503 1.00 0.00 O ATOM 1107 CB THR A 74 16.214 1.363 -8.066 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.218 1.682 -6.677 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.751 2.654 -8.743 1.00 0.00 C ATOM 0 H THR A 74 13.859 1.686 -7.456 1.00 0.00 H new ATOM 0 HA THR A 74 15.276 -0.200 -9.180 1.00 0.00 H new ATOM 0 HB THR A 74 17.158 1.041 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.946 2.310 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.518 3.420 -8.628 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.580 2.468 -9.803 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.825 2.995 -8.281 1.00 0.00 H new ATOM 1117 N GLU A 75 16.663 -1.386 -7.191 1.00 0.00 N ATOM 1118 CA GLU A 75 17.036 -2.479 -6.310 1.00 0.00 C ATOM 1119 C GLU A 75 17.007 -2.019 -4.851 1.00 0.00 C ATOM 1120 O GLU A 75 16.523 -2.738 -3.979 1.00 0.00 O ATOM 1121 CB GLU A 75 18.411 -3.038 -6.681 1.00 0.00 C ATOM 1122 CG GLU A 75 18.287 -4.427 -7.310 1.00 0.00 C ATOM 1123 CD GLU A 75 19.350 -5.377 -6.754 1.00 0.00 C ATOM 1124 OE1 GLU A 75 19.399 -5.511 -5.512 1.00 0.00 O ATOM 1125 OE2 GLU A 75 20.090 -5.949 -7.584 1.00 0.00 O ATOM 0 H GLU A 75 17.420 -1.032 -7.775 1.00 0.00 H new ATOM 0 HA GLU A 75 16.309 -3.282 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.906 -2.362 -7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.038 -3.093 -5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.294 -4.832 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.392 -4.351 -8.392 1.00 0.00 H new ATOM 1132 N LYS A 76 17.531 -0.822 -4.631 1.00 0.00 N ATOM 1133 CA LYS A 76 17.571 -0.256 -3.293 1.00 0.00 C ATOM 1134 C LYS A 76 16.171 -0.316 -2.677 1.00 0.00 C ATOM 1135 O LYS A 76 15.999 -0.815 -1.567 1.00 0.00 O ATOM 1136 CB LYS A 76 18.170 1.151 -3.324 1.00 0.00 C ATOM 1137 CG LYS A 76 17.075 2.210 -3.466 1.00 0.00 C ATOM 1138 CD LYS A 76 17.642 3.616 -3.260 1.00 0.00 C ATOM 1139 CE LYS A 76 18.016 4.258 -4.598 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.278 5.704 -4.423 1.00 0.00 N ATOM 0 H LYS A 76 17.932 -0.228 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 76 18.228 -0.842 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.737 1.329 -2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.871 1.234 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.621 2.138 -4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.286 2.022 -2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.907 4.237 -2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.521 3.567 -2.618 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.900 3.769 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.209 4.113 -5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.530 6.125 -5.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.425 6.169 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.063 5.836 -3.754 1.00 0.00 H new ATOM 1154 N GLU A 77 15.208 0.201 -3.426 1.00 0.00 N ATOM 1155 CA GLU A 77 13.829 0.213 -2.967 1.00 0.00 C ATOM 1156 C GLU A 77 13.222 -1.187 -3.073 1.00 0.00 C ATOM 1157 O GLU A 77 12.499 -1.623 -2.179 1.00 0.00 O ATOM 1158 CB GLU A 77 12.999 1.231 -3.752 1.00 0.00 C ATOM 1159 CG GLU A 77 13.459 1.307 -5.209 1.00 0.00 C ATOM 1160 CD GLU A 77 14.207 2.613 -5.481 1.00 0.00 C ATOM 1161 OE1 GLU A 77 14.715 3.192 -4.496 1.00 0.00 O ATOM 1162 OE2 GLU A 77 14.254 3.004 -6.667 1.00 0.00 O ATOM 0 H GLU A 77 15.355 0.614 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 77 13.818 0.514 -1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.946 0.954 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 77 13.087 2.213 -3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.106 0.459 -5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.596 1.234 -5.871 1.00 0.00 H new ATOM 1169 N ILE A 78 13.539 -1.853 -4.174 1.00 0.00 N ATOM 1170 CA ILE A 78 13.034 -3.195 -4.408 1.00 0.00 C ATOM 1171 C ILE A 78 13.433 -4.097 -3.238 1.00 0.00 C ATOM 1172 O ILE A 78 12.594 -4.802 -2.680 1.00 0.00 O ATOM 1173 CB ILE A 78 13.500 -3.713 -5.770 1.00 0.00 C ATOM 1174 CG1 ILE A 78 12.659 -3.117 -6.901 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.504 -5.242 -5.804 1.00 0.00 C ATOM 1176 CD1 ILE A 78 11.783 -4.188 -7.555 1.00 0.00 C ATOM 0 H ILE A 78 14.139 -1.488 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 78 11.945 -3.190 -4.450 1.00 0.00 H new ATOM 0 HB ILE A 78 14.528 -3.385 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.031 -2.317 -6.509 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.314 -2.670 -7.649 1.00 0.00 H new ATOM 0 HG21 ILE A 78 13.839 -5.583 -6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.179 -5.621 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.496 -5.613 -5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.195 -3.738 -8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.416 -4.974 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.113 -4.615 -6.809 1.00 0.00 H new ATOM 1188 N ASN A 79 14.713 -4.045 -2.902 1.00 0.00 N ATOM 1189 CA ASN A 79 15.233 -4.848 -1.809 1.00 0.00 C ATOM 1190 C ASN A 79 14.374 -4.624 -0.563 1.00 0.00 C ATOM 1191 O ASN A 79 13.971 -5.579 0.098 1.00 0.00 O ATOM 1192 CB ASN A 79 16.672 -4.452 -1.470 1.00 0.00 C ATOM 1193 CG ASN A 79 17.673 -5.401 -2.131 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.585 -6.613 -2.020 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.626 -4.784 -2.823 1.00 0.00 N ATOM 0 H ASN A 79 15.406 -3.459 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 79 15.210 -5.893 -2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.860 -3.431 -1.802 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.812 -4.466 -0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.343 -5.329 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.641 -3.765 -2.875 1.00 0.00 H new ATOM 1202 N THR A 80 14.120 -3.355 -0.279 1.00 0.00 N ATOM 1203 CA THR A 80 13.317 -2.992 0.875 1.00 0.00 C ATOM 1204 C THR A 80 11.828 -3.142 0.557 1.00 0.00 C ATOM 1205 O THR A 80 11.087 -3.765 1.316 1.00 0.00 O ATOM 1206 CB THR A 80 13.708 -1.575 1.298 1.00 0.00 C ATOM 1207 OG1 THR A 80 15.055 -1.704 1.743 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.949 -1.103 2.540 1.00 0.00 C ATOM 0 H THR A 80 14.457 -2.565 -0.829 1.00 0.00 H new ATOM 0 HA THR A 80 13.507 -3.661 1.714 1.00 0.00 H new ATOM 0 HB THR A 80 13.519 -0.886 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.388 -0.830 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.265 -0.092 2.797 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.878 -1.108 2.336 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.163 -1.772 3.373 1.00 0.00 H new ATOM 1216 N LEU A 81 11.434 -2.560 -0.566 1.00 0.00 N ATOM 1217 CA LEU A 81 10.047 -2.621 -0.994 1.00 0.00 C ATOM 1218 C LEU A 81 9.622 -4.086 -1.124 1.00 0.00 C ATOM 1219 O LEU A 81 8.676 -4.522 -0.469 1.00 0.00 O ATOM 1220 CB LEU A 81 9.844 -1.806 -2.273 1.00 0.00 C ATOM 1221 CG LEU A 81 8.513 -2.016 -2.998 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.593 -3.205 -3.957 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.362 -2.161 -2.000 1.00 0.00 C ATOM 0 H LEU A 81 12.051 -2.044 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 81 9.397 -2.165 -0.247 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.937 -0.749 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.653 -2.044 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 81 8.308 -1.130 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.634 -3.332 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.370 -3.022 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.832 -4.109 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.428 -2.309 -2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.547 -3.019 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.291 -1.258 -1.393 1.00 0.00 H new ATOM 1235 N ASN A 82 10.341 -4.804 -1.974 1.00 0.00 N ATOM 1236 CA ASN A 82 10.050 -6.210 -2.198 1.00 0.00 C ATOM 1237 C ASN A 82 9.921 -6.921 -0.849 1.00 0.00 C ATOM 1238 O ASN A 82 9.108 -7.832 -0.700 1.00 0.00 O ATOM 1239 CB ASN A 82 11.175 -6.887 -2.983 1.00 0.00 C ATOM 1240 CG ASN A 82 10.682 -8.172 -3.651 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.615 -8.101 -4.977 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 10.381 -9.162 -3.005 1.00 0.00 N flip ATOM 0 H ASN A 82 11.124 -4.439 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 82 9.123 -6.276 -2.767 1.00 0.00 H new ATOM 0 HB2 ASN A 82 11.557 -6.203 -3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 82 12.004 -7.116 -2.313 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.456 -9.149 -1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.055 -10.002 -3.482 1.00 0.00 H new ATOM 1249 N ASP A 83 10.734 -6.477 0.098 1.00 0.00 N ATOM 1250 CA ASP A 83 10.720 -7.060 1.429 1.00 0.00 C ATOM 1251 C ASP A 83 9.509 -6.531 2.200 1.00 0.00 C ATOM 1252 O ASP A 83 8.936 -7.241 3.025 1.00 0.00 O ATOM 1253 CB ASP A 83 11.980 -6.679 2.209 1.00 0.00 C ATOM 1254 CG ASP A 83 13.012 -7.799 2.356 1.00 0.00 C ATOM 1255 OD1 ASP A 83 13.813 -7.960 1.410 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.978 -8.468 3.411 1.00 0.00 O ATOM 0 H ASP A 83 11.406 -5.721 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 83 10.675 -8.144 1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.454 -5.832 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.686 -6.343 3.203 1.00 0.00 H new ATOM 1261 N TRP A 84 9.155 -5.289 1.904 1.00 0.00 N ATOM 1262 CA TRP A 84 8.022 -4.658 2.559 1.00 0.00 C ATOM 1263 C TRP A 84 6.776 -5.494 2.260 1.00 0.00 C ATOM 1264 O TRP A 84 5.854 -5.552 3.071 1.00 0.00 O ATOM 1265 CB TRP A 84 7.881 -3.198 2.124 1.00 0.00 C ATOM 1266 CG TRP A 84 8.555 -2.199 3.067 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.636 -1.443 2.832 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.146 -1.877 4.413 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.952 -0.660 3.924 1.00 0.00 N ATOM 1270 CE2 TRP A 84 9.017 -0.932 4.916 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.074 -2.367 5.180 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.907 -0.397 6.205 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 6.978 -1.822 6.466 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.847 -0.871 6.987 1.00 0.00 C ATOM 0 H TRP A 84 9.633 -4.703 1.219 1.00 0.00 H new ATOM 0 HA TRP A 84 8.169 -4.627 3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.306 -3.084 1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 84 6.822 -2.953 2.049 1.00 0.00 H new ATOM 0 HD1 TRP A 84 10.190 -1.446 1.905 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.729 -0.003 3.991 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.380 -3.105 4.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.602 0.341 6.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.172 -2.165 7.098 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.705 -0.499 7.991 1.00 0.00 H new ATOM 1285 N GLU A 85 6.790 -6.120 1.093 1.00 0.00 N ATOM 1286 CA GLU A 85 5.672 -6.951 0.676 1.00 0.00 C ATOM 1287 C GLU A 85 5.536 -8.161 1.602 1.00 0.00 C ATOM 1288 O GLU A 85 4.458 -8.424 2.131 1.00 0.00 O ATOM 1289 CB GLU A 85 5.829 -7.390 -0.781 1.00 0.00 C ATOM 1290 CG GLU A 85 5.218 -8.775 -1.004 1.00 0.00 C ATOM 1291 CD GLU A 85 6.273 -9.872 -0.848 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.440 -9.504 -0.590 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.889 -11.053 -0.990 1.00 0.00 O ATOM 0 H GLU A 85 7.557 -6.069 0.423 1.00 0.00 H new ATOM 0 HA GLU A 85 4.759 -6.360 0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.346 -6.666 -1.437 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.886 -7.407 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.410 -8.939 -0.291 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.779 -8.827 -2.000 1.00 0.00 H new ATOM 1300 N THR A 86 6.646 -8.865 1.770 1.00 0.00 N ATOM 1301 CA THR A 86 6.664 -10.041 2.623 1.00 0.00 C ATOM 1302 C THR A 86 6.247 -9.673 4.049 1.00 0.00 C ATOM 1303 O THR A 86 5.672 -10.493 4.762 1.00 0.00 O ATOM 1304 CB THR A 86 8.059 -10.664 2.540 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.984 -11.536 1.416 1.00 0.00 O ATOM 1306 CG2 THR A 86 8.355 -11.598 3.716 1.00 0.00 C ATOM 0 H THR A 86 7.539 -8.643 1.330 1.00 0.00 H new ATOM 0 HA THR A 86 5.940 -10.783 2.288 1.00 0.00 H new ATOM 0 HB THR A 86 8.808 -9.872 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.848 -11.981 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.357 -12.013 3.608 1.00 0.00 H new ATOM 0 HG22 THR A 86 8.293 -11.039 4.649 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.626 -12.408 3.729 1.00 0.00 H new ATOM 1314 N LYS A 87 6.553 -8.439 4.420 1.00 0.00 N ATOM 1315 CA LYS A 87 6.217 -7.952 5.747 1.00 0.00 C ATOM 1316 C LYS A 87 4.730 -7.596 5.794 1.00 0.00 C ATOM 1317 O LYS A 87 4.051 -7.879 6.780 1.00 0.00 O ATOM 1318 CB LYS A 87 7.138 -6.796 6.143 1.00 0.00 C ATOM 1319 CG LYS A 87 8.609 -7.200 6.020 1.00 0.00 C ATOM 1320 CD LYS A 87 9.501 -5.972 5.827 1.00 0.00 C ATOM 1321 CE LYS A 87 8.880 -4.736 6.481 1.00 0.00 C ATOM 1322 NZ LYS A 87 9.905 -3.688 6.685 1.00 0.00 N ATOM 0 H LYS A 87 7.030 -7.762 3.825 1.00 0.00 H new ATOM 0 HA LYS A 87 6.383 -8.731 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.940 -5.934 5.506 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.925 -6.491 7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.917 -7.741 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.734 -7.880 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.484 -6.161 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.649 -5.789 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.077 -4.350 5.854 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.434 -5.008 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.016 -3.504 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.812 -4.008 6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.608 -2.814 6.206 1.00 0.00 H new ATOM 1336 N PHE A 88 4.267 -6.981 4.715 1.00 0.00 N ATOM 1337 CA PHE A 88 2.873 -6.584 4.621 1.00 0.00 C ATOM 1338 C PHE A 88 1.993 -7.766 4.208 1.00 0.00 C ATOM 1339 O PHE A 88 0.883 -7.925 4.714 1.00 0.00 O ATOM 1340 CB PHE A 88 2.788 -5.500 3.544 1.00 0.00 C ATOM 1341 CG PHE A 88 2.611 -4.085 4.099 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.389 -3.655 5.128 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.674 -3.257 3.563 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.225 -2.342 5.642 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.509 -1.944 4.077 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.288 -1.514 5.106 1.00 0.00 C ATOM 0 H PHE A 88 4.833 -6.748 3.899 1.00 0.00 H new ATOM 0 HA PHE A 88 2.523 -6.225 5.589 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.694 -5.531 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.953 -5.726 2.880 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.132 -4.313 5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 88 1.056 -3.599 2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.844 -2.000 6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.765 -1.287 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.163 -0.515 5.497 1.00 0.00 H new ATOM 1356 N GLU A 89 2.521 -8.564 3.292 1.00 0.00 N ATOM 1357 CA GLU A 89 1.798 -9.727 2.805 1.00 0.00 C ATOM 1358 C GLU A 89 1.727 -10.801 3.892 1.00 0.00 C ATOM 1359 O GLU A 89 0.743 -11.534 3.983 1.00 0.00 O ATOM 1360 CB GLU A 89 2.439 -10.277 1.530 1.00 0.00 C ATOM 1361 CG GLU A 89 2.373 -11.806 1.499 1.00 0.00 C ATOM 1362 CD GLU A 89 3.546 -12.421 2.265 1.00 0.00 C ATOM 1363 OE1 GLU A 89 4.661 -12.410 1.699 1.00 0.00 O ATOM 1364 OE2 GLU A 89 3.302 -12.888 3.398 1.00 0.00 O ATOM 0 H GLU A 89 3.441 -8.428 2.874 1.00 0.00 H new ATOM 0 HA GLU A 89 0.781 -9.421 2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.929 -9.870 0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.478 -9.953 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.433 -12.142 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.387 -12.153 0.466 1.00 0.00 H new ATOM 1371 N ALA A 90 2.784 -10.862 4.689 1.00 0.00 N ATOM 1372 CA ALA A 90 2.855 -11.835 5.766 1.00 0.00 C ATOM 1373 C ALA A 90 2.246 -11.231 7.033 1.00 0.00 C ATOM 1374 O ALA A 90 2.511 -11.702 8.138 1.00 0.00 O ATOM 1375 CB ALA A 90 4.307 -12.270 5.967 1.00 0.00 C ATOM 0 H ALA A 90 3.599 -10.253 4.610 1.00 0.00 H new ATOM 0 HA ALA A 90 2.280 -12.727 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.360 -13.000 6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.683 -12.719 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.915 -11.402 6.222 1.00 0.00 H new ATOM 1381 N LYS A 91 1.442 -10.198 6.831 1.00 0.00 N ATOM 1382 CA LYS A 91 0.793 -9.525 7.944 1.00 0.00 C ATOM 1383 C LYS A 91 -0.588 -9.035 7.504 1.00 0.00 C ATOM 1384 O LYS A 91 -1.604 -9.453 8.056 1.00 0.00 O ATOM 1385 CB LYS A 91 1.692 -8.417 8.497 1.00 0.00 C ATOM 1386 CG LYS A 91 2.811 -8.999 9.363 1.00 0.00 C ATOM 1387 CD LYS A 91 2.910 -8.261 10.699 1.00 0.00 C ATOM 1388 CE LYS A 91 4.322 -8.363 11.278 1.00 0.00 C ATOM 1389 NZ LYS A 91 4.279 -8.885 12.663 1.00 0.00 N ATOM 0 H LYS A 91 1.225 -9.810 5.913 1.00 0.00 H new ATOM 0 HA LYS A 91 0.636 -10.219 8.770 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.123 -7.849 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.096 -7.721 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.624 -10.058 9.541 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.761 -8.928 8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.645 -7.213 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.193 -8.681 11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.930 -9.019 10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.797 -7.382 11.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.246 -8.948 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.716 -8.244 13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.845 -9.830 12.664 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.580 -8.156 6.513 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.819 -7.604 5.992 1.00 0.00 C ATOM 1405 C TYR A 92 -2.404 -8.504 4.901 1.00 0.00 C ATOM 1406 O TYR A 92 -1.709 -8.869 3.954 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.454 -6.251 5.379 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.036 -5.196 6.405 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.687 -5.117 7.618 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.007 -4.323 6.116 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.294 -4.124 8.584 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.387 -3.329 7.081 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.276 -3.279 8.268 1.00 0.00 C ATOM 1414 OH TYR A 92 0.096 -2.341 9.179 1.00 0.00 O ATOM 0 H TYR A 92 0.265 -7.812 6.057 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.563 -7.517 6.784 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.641 -6.393 4.668 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.309 -5.877 4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.492 -5.800 7.844 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.503 -4.385 5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -1.796 -4.052 9.538 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.190 -2.639 6.867 1.00 0.00 H new ATOM 0 HH TYR A 92 0.836 -1.809 8.818 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.709 -8.844 5.075 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.395 -9.694 4.117 1.00 0.00 C ATOM 1426 C PRO A 93 -4.731 -8.920 2.840 1.00 0.00 C ATOM 1427 O PRO A 93 -5.125 -7.757 2.900 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.629 -10.195 4.849 1.00 0.00 C ATOM 1429 CG PRO A 93 -5.834 -9.247 6.019 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.563 -8.430 6.184 1.00 0.00 C ATOM 0 HA PRO A 93 -3.781 -10.529 3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.499 -10.198 4.192 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.488 -11.219 5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.687 -8.594 5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.050 -9.806 6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.772 -7.361 6.145 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.088 -8.627 7.145 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.562 -9.598 1.714 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.842 -8.990 0.425 1.00 0.00 C ATOM 1440 C VAL A 94 -6.281 -9.311 0.015 1.00 0.00 C ATOM 1441 O VAL A 94 -6.596 -10.454 -0.313 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.810 -9.450 -0.607 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.460 -10.927 -0.410 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -4.303 -9.188 -2.031 1.00 0.00 C ATOM 0 H VAL A 94 -4.235 -10.563 1.668 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.757 -7.905 0.489 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.902 -8.867 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.725 -11.229 -1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.046 -11.073 0.588 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.360 -11.532 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.550 -9.524 -2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.232 -9.732 -2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.478 -8.121 -2.165 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.115 -8.283 0.048 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.513 -8.442 -0.316 1.00 0.00 C ATOM 1456 C VAL A 95 -8.675 -8.203 -1.818 1.00 0.00 C ATOM 1457 O VAL A 95 -9.789 -8.233 -2.339 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.384 -7.514 0.534 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.222 -7.823 2.024 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -9.068 -6.046 0.242 1.00 0.00 C ATOM 0 H VAL A 95 -6.850 -7.337 0.321 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.848 -9.459 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.425 -7.693 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.851 -7.150 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.519 -8.854 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.180 -7.686 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.701 -5.408 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.021 -5.847 0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.257 -5.835 -0.811 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.547 -7.970 -2.473 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.550 -7.726 -3.905 1.00 0.00 C ATOM 1472 C GLY A 96 -6.182 -7.232 -4.380 1.00 0.00 C ATOM 1473 O GLY A 96 -5.295 -6.975 -3.568 1.00 0.00 O ATOM 0 H GLY A 96 -6.625 -7.945 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.813 -8.643 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.313 -6.987 -4.150 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.054 -7.114 -5.694 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.809 -6.655 -6.286 1.00 0.00 C ATOM 1479 C ARG A 97 -5.064 -5.446 -7.188 1.00 0.00 C ATOM 1480 O ARG A 97 -5.918 -5.495 -8.072 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.148 -7.764 -7.107 1.00 0.00 C ATOM 1482 CG ARG A 97 -3.820 -7.279 -8.520 1.00 0.00 C ATOM 1483 CD ARG A 97 -2.355 -6.850 -8.626 1.00 0.00 C ATOM 1484 NE ARG A 97 -1.633 -7.740 -9.564 1.00 0.00 N ATOM 1485 CZ ARG A 97 -0.498 -7.406 -10.192 1.00 0.00 C ATOM 1486 NH1 ARG A 97 0.052 -6.201 -9.988 1.00 0.00 N ATOM 1487 NH2 ARG A 97 0.087 -8.277 -11.026 1.00 0.00 N ATOM 0 H ARG A 97 -6.792 -7.328 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.140 -6.372 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.235 -8.094 -6.611 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.812 -8.627 -7.160 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.023 -8.074 -9.237 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.468 -6.442 -8.781 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.294 -5.818 -8.971 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.885 -6.886 -7.643 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.024 -8.665 -9.743 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -0.394 -5.538 -9.354 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.916 -5.947 -10.467 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.332 -9.194 -11.182 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.951 -8.023 -11.504 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.309 -4.388 -6.932 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.443 -3.167 -7.709 1.00 0.00 C ATOM 1503 C VAL A 98 -4.528 -3.521 -9.196 1.00 0.00 C ATOM 1504 O VAL A 98 -3.909 -4.485 -9.644 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.292 -2.213 -7.387 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.135 -1.153 -8.480 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.487 -1.562 -6.016 1.00 0.00 C ATOM 0 H VAL A 98 -3.602 -4.351 -6.197 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.363 -2.645 -7.445 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.372 -2.797 -7.353 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.310 -0.488 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.928 -1.641 -9.433 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.055 -0.575 -8.561 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.655 -0.888 -5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.420 -0.998 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.525 -2.335 -5.248 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.298 -2.722 -9.918 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.472 -2.939 -11.345 1.00 0.00 C ATOM 1519 C VAL A 99 -5.763 -1.601 -12.028 1.00 0.00 C ATOM 1520 O VAL A 99 -5.100 -1.238 -12.998 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.564 -3.983 -11.586 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.768 -3.363 -12.298 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -6.017 -5.176 -12.372 1.00 0.00 C ATOM 0 H VAL A 99 -5.809 -1.923 -9.543 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.558 -3.337 -11.785 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.900 -4.347 -10.615 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.529 -4.127 -12.457 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -8.180 -2.562 -11.685 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -7.453 -2.959 -13.260 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.813 -5.904 -12.530 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.641 -4.835 -13.336 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.207 -5.641 -11.810 1.00 0.00 H new ATOM 1533 N SER A 100 -6.755 -0.904 -11.494 1.00 0.00 N ATOM 1534 CA SER A 100 -7.142 0.386 -12.040 1.00 0.00 C ATOM 1535 C SER A 100 -7.635 0.219 -13.479 1.00 0.00 C ATOM 1536 O SER A 100 -7.901 1.203 -14.166 1.00 0.00 O ATOM 1537 CB SER A 100 -5.977 1.377 -11.990 1.00 0.00 C ATOM 1538 OG SER A 100 -6.333 2.647 -12.529 1.00 0.00 O ATOM 0 H SER A 100 -7.303 -1.208 -10.689 1.00 0.00 H new ATOM 0 HA SER A 100 -7.951 0.787 -11.430 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.650 1.500 -10.958 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.132 0.971 -12.546 1.00 0.00 H new ATOM 0 HG SER A 100 -7.003 2.527 -13.234 1.00 0.00 H new