USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 521 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 NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -48:sc= 0.224 USER MOD Single : A 8 HIS : no HD1:sc= -0.2 K(o=-0.2,f=-1.1) USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.977 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.414 K(o=-0.41,f=-4.1!) USER MOD Single : A 21 ASN : amide:sc= -3.83 K(o=-3.8,f=-6.5!) USER MOD Single : A 25 MET CE :methyl -142:sc= -0.919 (180deg=-2.14) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -1.91 (180deg=-2.48) USER MOD Single : A 28 SER OG : rot 180:sc= -0.649 USER MOD Single : A 37 GLN : amide:sc=-0.00291 K(o=-0.0029,f=-1.2!) USER MOD Single : A 38 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.12) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -0.374 (180deg=-1.6) USER MOD Single : A 52 CYS SG : rot 91:sc= 0.703 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0568 K(o=-0.057,f=-1.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.480 -11.271 -24.099 1.00 0.00 N ATOM 2 CA GLY A 1 -9.406 -10.356 -23.762 1.00 0.00 C ATOM 3 C GLY A 1 -9.293 -10.120 -22.269 1.00 0.00 C ATOM 4 O GLY A 1 -8.549 -10.816 -21.578 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.516 -11.399 -25.130 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.310 -12.189 -23.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.385 -10.881 -23.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.463 -10.754 -24.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.572 -9.404 -24.266 1.00 0.00 H new ATOM 8 N SER A 2 -10.032 -9.134 -21.770 1.00 0.00 N ATOM 9 CA SER A 2 -10.007 -8.804 -20.349 1.00 0.00 C ATOM 10 C SER A 2 -10.673 -9.902 -19.525 1.00 0.00 C ATOM 11 O SER A 2 -11.562 -10.603 -20.008 1.00 0.00 O ATOM 12 CB SER A 2 -10.710 -7.468 -20.102 1.00 0.00 C ATOM 13 OG SER A 2 -12.108 -7.645 -19.959 1.00 0.00 O ATOM 0 H SER A 2 -10.655 -8.550 -22.328 1.00 0.00 H new ATOM 0 HA SER A 2 -8.965 -8.721 -20.038 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.306 -7.002 -19.203 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.509 -6.789 -20.931 1.00 0.00 H new ATOM 0 HG SER A 2 -12.533 -6.776 -19.800 1.00 0.00 H new ATOM 19 N SER A 3 -10.236 -10.044 -18.278 1.00 0.00 N ATOM 20 CA SER A 3 -10.786 -11.058 -17.386 1.00 0.00 C ATOM 21 C SER A 3 -11.988 -10.513 -16.619 1.00 0.00 C ATOM 22 O SER A 3 -13.120 -10.949 -16.826 1.00 0.00 O ATOM 23 CB SER A 3 -9.716 -11.539 -16.405 1.00 0.00 C ATOM 24 OG SER A 3 -8.745 -12.336 -17.060 1.00 0.00 O ATOM 0 H SER A 3 -9.503 -9.470 -17.862 1.00 0.00 H new ATOM 0 HA SER A 3 -11.116 -11.900 -17.994 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.232 -10.680 -15.940 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.183 -12.114 -15.605 1.00 0.00 H new ATOM 0 HG SER A 3 -8.071 -12.630 -16.412 1.00 0.00 H new ATOM 30 N GLY A 4 -11.731 -9.557 -15.732 1.00 0.00 N ATOM 31 CA GLY A 4 -12.800 -8.967 -14.947 1.00 0.00 C ATOM 32 C GLY A 4 -12.905 -9.574 -13.562 1.00 0.00 C ATOM 33 O GLY A 4 -12.066 -10.384 -13.167 1.00 0.00 O ATOM 0 H GLY A 4 -10.802 -9.180 -15.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.632 -7.894 -14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.747 -9.099 -15.471 1.00 0.00 H new ATOM 37 N SER A 5 -13.936 -9.180 -12.821 1.00 0.00 N ATOM 38 CA SER A 5 -14.144 -9.687 -11.470 1.00 0.00 C ATOM 39 C SER A 5 -15.610 -10.040 -11.242 1.00 0.00 C ATOM 40 O SER A 5 -16.508 -9.372 -11.754 1.00 0.00 O ATOM 41 CB SER A 5 -13.691 -8.651 -10.439 1.00 0.00 C ATOM 42 OG SER A 5 -12.304 -8.386 -10.558 1.00 0.00 O ATOM 0 H SER A 5 -14.640 -8.511 -13.134 1.00 0.00 H new ATOM 0 HA SER A 5 -13.548 -10.592 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.254 -7.728 -10.575 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.910 -9.013 -9.435 1.00 0.00 H new ATOM 0 HG SER A 5 -12.040 -7.720 -9.890 1.00 0.00 H new ATOM 48 N SER A 6 -15.845 -11.096 -10.469 1.00 0.00 N ATOM 49 CA SER A 6 -17.202 -11.542 -10.175 1.00 0.00 C ATOM 50 C SER A 6 -17.528 -11.353 -8.697 1.00 0.00 C ATOM 51 O SER A 6 -18.484 -11.931 -8.182 1.00 0.00 O ATOM 52 CB SER A 6 -17.373 -13.012 -10.563 1.00 0.00 C ATOM 53 OG SER A 6 -18.744 -13.359 -10.655 1.00 0.00 O ATOM 0 H SER A 6 -15.113 -11.659 -10.035 1.00 0.00 H new ATOM 0 HA SER A 6 -17.893 -10.936 -10.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.883 -13.199 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.883 -13.646 -9.824 1.00 0.00 H new ATOM 0 HG SER A 6 -19.217 -13.039 -9.858 1.00 0.00 H new ATOM 59 N GLY A 7 -16.724 -10.538 -8.020 1.00 0.00 N ATOM 60 CA GLY A 7 -16.943 -10.287 -6.607 1.00 0.00 C ATOM 61 C GLY A 7 -18.379 -9.911 -6.301 1.00 0.00 C ATOM 62 O GLY A 7 -18.781 -8.762 -6.487 1.00 0.00 O ATOM 0 H GLY A 7 -15.926 -10.048 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.674 -11.176 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.282 -9.485 -6.277 1.00 0.00 H new ATOM 66 N HIS A 8 -19.155 -10.882 -5.831 1.00 0.00 N ATOM 67 CA HIS A 8 -20.556 -10.648 -5.499 1.00 0.00 C ATOM 68 C HIS A 8 -20.693 -9.509 -4.492 1.00 0.00 C ATOM 69 O HIS A 8 -19.821 -9.307 -3.646 1.00 0.00 O ATOM 70 CB HIS A 8 -21.189 -11.921 -4.935 1.00 0.00 C ATOM 71 CG HIS A 8 -20.526 -12.417 -3.687 1.00 0.00 C ATOM 72 ND1 HIS A 8 -20.715 -11.834 -2.452 1.00 0.00 N ATOM 73 CD2 HIS A 8 -19.673 -13.449 -3.489 1.00 0.00 C ATOM 74 CE1 HIS A 8 -20.005 -12.485 -1.547 1.00 0.00 C ATOM 75 NE2 HIS A 8 -19.364 -13.470 -2.151 1.00 0.00 N ATOM 0 H HIS A 8 -18.838 -11.838 -5.671 1.00 0.00 H new ATOM 0 HA HIS A 8 -21.078 -10.366 -6.414 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -22.242 -11.732 -4.727 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -21.150 -12.703 -5.693 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -19.304 -14.129 -4.243 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -19.957 -12.252 -0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -18.741 -14.138 -1.697 1.00 0.00 H new ATOM 83 N LEU A 9 -21.791 -8.768 -4.590 1.00 0.00 N ATOM 84 CA LEU A 9 -22.042 -7.649 -3.689 1.00 0.00 C ATOM 85 C LEU A 9 -22.377 -8.144 -2.285 1.00 0.00 C ATOM 86 O LEU A 9 -22.941 -9.225 -2.116 1.00 0.00 O ATOM 87 CB LEU A 9 -23.185 -6.784 -4.223 1.00 0.00 C ATOM 88 CG LEU A 9 -23.140 -5.304 -3.844 1.00 0.00 C ATOM 89 CD1 LEU A 9 -24.080 -4.498 -4.726 1.00 0.00 C ATOM 90 CD2 LEU A 9 -23.494 -5.118 -2.375 1.00 0.00 C ATOM 0 H LEU A 9 -22.522 -8.922 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 9 -21.134 -7.048 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -23.194 -6.860 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -24.127 -7.201 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 9 -22.125 -4.940 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -24.034 -3.447 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -23.781 -4.605 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -25.099 -4.864 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -23.457 -4.058 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -24.498 -5.500 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.780 -5.663 -1.757 1.00 0.00 H new ATOM 102 N ASN A 10 -22.027 -7.346 -1.282 1.00 0.00 N ATOM 103 CA ASN A 10 -22.292 -7.702 0.107 1.00 0.00 C ATOM 104 C ASN A 10 -23.792 -7.730 0.384 1.00 0.00 C ATOM 105 O ASN A 10 -24.487 -6.728 0.206 1.00 0.00 O ATOM 106 CB ASN A 10 -21.606 -6.712 1.049 1.00 0.00 C ATOM 107 CG ASN A 10 -20.095 -6.845 1.028 1.00 0.00 C ATOM 108 OD1 ASN A 10 -19.544 -7.671 0.299 1.00 0.00 O ATOM 109 ND2 ASN A 10 -19.418 -6.031 1.829 1.00 0.00 N ATOM 0 H ASN A 10 -21.559 -6.448 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 10 -21.889 -8.699 0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -21.882 -5.696 0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.968 -6.871 2.065 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.399 -6.075 1.858 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -19.917 -5.362 2.416 1.00 0.00 H new ATOM 116 N THR A 11 -24.287 -8.883 0.823 1.00 0.00 N ATOM 117 CA THR A 11 -25.704 -9.042 1.125 1.00 0.00 C ATOM 118 C THR A 11 -25.997 -8.700 2.581 1.00 0.00 C ATOM 119 O THR A 11 -27.102 -8.271 2.917 1.00 0.00 O ATOM 120 CB THR A 11 -26.181 -10.479 0.841 1.00 0.00 C ATOM 121 OG1 THR A 11 -27.581 -10.594 1.119 1.00 0.00 O ATOM 122 CG2 THR A 11 -25.408 -11.482 1.683 1.00 0.00 C ATOM 0 H THR A 11 -23.727 -9.721 0.977 1.00 0.00 H new ATOM 0 HA THR A 11 -26.245 -8.353 0.477 1.00 0.00 H new ATOM 0 HB THR A 11 -26.001 -10.697 -0.212 1.00 0.00 H new ATOM 0 HG1 THR A 11 -27.877 -11.510 0.935 1.00 0.00 H new ATOM 0 HG21 THR A 11 -25.762 -12.490 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 11 -24.346 -11.412 1.448 1.00 0.00 H new ATOM 0 HG23 THR A 11 -25.561 -11.264 2.740 1.00 0.00 H new ATOM 130 N CYS A 12 -25.003 -8.891 3.441 1.00 0.00 N ATOM 131 CA CYS A 12 -25.155 -8.602 4.862 1.00 0.00 C ATOM 132 C CYS A 12 -24.762 -7.160 5.169 1.00 0.00 C ATOM 133 O CYS A 12 -23.644 -6.735 4.878 1.00 0.00 O ATOM 134 CB CYS A 12 -24.303 -9.563 5.693 1.00 0.00 C ATOM 135 SG CYS A 12 -24.232 -11.245 5.034 1.00 0.00 S ATOM 0 H CYS A 12 -24.083 -9.245 3.179 1.00 0.00 H new ATOM 0 HA CYS A 12 -26.204 -8.737 5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -23.289 -9.168 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -24.699 -9.598 6.708 1.00 0.00 H new ATOM 0 HG CYS A 12 -23.487 -11.982 5.804 1.00 0.00 H new ATOM 141 N SER A 13 -25.690 -6.412 5.758 1.00 0.00 N ATOM 142 CA SER A 13 -25.444 -5.016 6.099 1.00 0.00 C ATOM 143 C SER A 13 -24.569 -4.908 7.344 1.00 0.00 C ATOM 144 O SER A 13 -25.067 -4.928 8.470 1.00 0.00 O ATOM 145 CB SER A 13 -26.767 -4.283 6.326 1.00 0.00 C ATOM 146 OG SER A 13 -26.563 -3.069 7.027 1.00 0.00 O ATOM 0 H SER A 13 -26.619 -6.750 6.009 1.00 0.00 H new ATOM 0 HA SER A 13 -24.919 -4.551 5.265 1.00 0.00 H new ATOM 0 HB2 SER A 13 -27.242 -4.077 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 13 -27.448 -4.921 6.888 1.00 0.00 H new ATOM 0 HG SER A 13 -27.423 -2.619 7.158 1.00 0.00 H new ATOM 152 N PHE A 14 -23.262 -4.794 7.133 1.00 0.00 N ATOM 153 CA PHE A 14 -22.316 -4.683 8.238 1.00 0.00 C ATOM 154 C PHE A 14 -21.905 -3.230 8.458 1.00 0.00 C ATOM 155 O PHE A 14 -21.729 -2.473 7.505 1.00 0.00 O ATOM 156 CB PHE A 14 -21.078 -5.539 7.964 1.00 0.00 C ATOM 157 CG PHE A 14 -20.316 -5.906 9.206 1.00 0.00 C ATOM 158 CD1 PHE A 14 -20.912 -6.665 10.201 1.00 0.00 C ATOM 159 CD2 PHE A 14 -19.005 -5.493 9.378 1.00 0.00 C ATOM 160 CE1 PHE A 14 -20.214 -7.004 11.345 1.00 0.00 C ATOM 161 CE2 PHE A 14 -18.303 -5.829 10.520 1.00 0.00 C ATOM 162 CZ PHE A 14 -18.908 -6.585 11.505 1.00 0.00 C ATOM 0 H PHE A 14 -22.834 -4.776 6.208 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.807 -5.044 9.142 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.383 -6.451 7.452 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.416 -5.000 7.287 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.933 -6.995 10.081 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -18.526 -4.902 8.611 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.690 -7.596 12.113 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -17.281 -5.500 10.642 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.361 -6.848 12.398 1.00 0.00 H new ATOM 172 N ASN A 15 -21.754 -2.850 9.723 1.00 0.00 N ATOM 173 CA ASN A 15 -21.365 -1.488 10.070 1.00 0.00 C ATOM 174 C ASN A 15 -19.847 -1.352 10.121 1.00 0.00 C ATOM 175 O ASN A 15 -19.141 -2.289 10.493 1.00 0.00 O ATOM 176 CB ASN A 15 -21.969 -1.091 11.419 1.00 0.00 C ATOM 177 CG ASN A 15 -21.726 0.368 11.754 1.00 0.00 C ATOM 178 OD1 ASN A 15 -20.627 0.749 12.157 1.00 0.00 O ATOM 179 ND2 ASN A 15 -22.754 1.193 11.588 1.00 0.00 N ATOM 0 H ASN A 15 -21.895 -3.466 10.524 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.746 -0.820 9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -23.042 -1.284 11.405 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -21.543 -1.717 12.203 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -22.650 2.186 11.797 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -23.647 0.833 11.252 1.00 0.00 H new ATOM 186 N VAL A 16 -19.350 -0.178 9.743 1.00 0.00 N ATOM 187 CA VAL A 16 -17.915 0.082 9.747 1.00 0.00 C ATOM 188 C VAL A 16 -17.627 1.575 9.849 1.00 0.00 C ATOM 189 O VAL A 16 -18.547 2.392 9.903 1.00 0.00 O ATOM 190 CB VAL A 16 -17.241 -0.475 8.479 1.00 0.00 C ATOM 191 CG1 VAL A 16 -17.946 -1.738 8.010 1.00 0.00 C ATOM 192 CG2 VAL A 16 -17.224 0.577 7.380 1.00 0.00 C ATOM 0 H VAL A 16 -19.920 0.608 9.430 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.504 -0.424 10.620 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.210 -0.733 8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.456 -2.117 7.113 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.900 -2.493 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -18.988 -1.511 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -16.744 0.167 6.491 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -18.246 0.868 7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -16.669 1.451 7.721 1.00 0.00 H new ATOM 202 N ILE A 17 -16.346 1.925 9.875 1.00 0.00 N ATOM 203 CA ILE A 17 -15.937 3.321 9.968 1.00 0.00 C ATOM 204 C ILE A 17 -14.695 3.588 9.125 1.00 0.00 C ATOM 205 O ILE A 17 -13.924 2.682 8.807 1.00 0.00 O ATOM 206 CB ILE A 17 -15.651 3.727 11.426 1.00 0.00 C ATOM 207 CG1 ILE A 17 -15.030 2.557 12.192 1.00 0.00 C ATOM 208 CG2 ILE A 17 -16.928 4.195 12.106 1.00 0.00 C ATOM 209 CD1 ILE A 17 -14.638 2.904 13.611 1.00 0.00 C ATOM 0 H ILE A 17 -15.573 1.261 9.833 1.00 0.00 H new ATOM 0 HA ILE A 17 -16.766 3.919 9.588 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.940 4.553 11.425 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.739 1.729 12.212 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.148 2.209 11.655 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.709 4.478 13.136 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.331 5.055 11.571 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -17.660 3.388 12.100 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.205 2.028 14.093 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -13.905 3.711 13.599 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.521 3.224 14.165 1.00 0.00 H new ATOM 221 N PRO A 18 -14.494 4.861 8.754 1.00 0.00 N ATOM 222 CA PRO A 18 -13.345 5.278 7.944 1.00 0.00 C ATOM 223 C PRO A 18 -12.032 5.192 8.714 1.00 0.00 C ATOM 224 O PRO A 18 -11.991 5.432 9.921 1.00 0.00 O ATOM 225 CB PRO A 18 -13.667 6.733 7.595 1.00 0.00 C ATOM 226 CG PRO A 18 -14.568 7.194 8.688 1.00 0.00 C ATOM 227 CD PRO A 18 -15.373 5.992 9.097 1.00 0.00 C ATOM 0 HA PRO A 18 -13.206 4.638 7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.762 7.338 7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.153 6.809 6.623 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.994 7.583 9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.217 8.000 8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.609 6.009 10.161 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.321 5.942 8.561 1.00 0.00 H new ATOM 235 N CYS A 19 -10.959 4.848 8.008 1.00 0.00 N ATOM 236 CA CYS A 19 -9.644 4.731 8.625 1.00 0.00 C ATOM 237 C CYS A 19 -9.157 6.086 9.130 1.00 0.00 C ATOM 238 O CYS A 19 -9.267 7.106 8.450 1.00 0.00 O ATOM 239 CB CYS A 19 -8.638 4.156 7.624 1.00 0.00 C ATOM 240 SG CYS A 19 -6.965 3.919 8.305 1.00 0.00 S ATOM 0 H CYS A 19 -10.975 4.646 7.008 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.728 4.055 9.476 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.010 3.198 7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.577 4.822 6.763 1.00 0.00 H new ATOM 245 N PRO A 20 -8.605 6.098 10.353 1.00 0.00 N ATOM 246 CA PRO A 20 -8.089 7.320 10.977 1.00 0.00 C ATOM 247 C PRO A 20 -6.825 7.830 10.294 1.00 0.00 C ATOM 248 O PRO A 20 -6.528 9.024 10.330 1.00 0.00 O ATOM 249 CB PRO A 20 -7.783 6.883 12.412 1.00 0.00 C ATOM 250 CG PRO A 20 -7.543 5.416 12.318 1.00 0.00 C ATOM 251 CD PRO A 20 -8.441 4.918 11.219 1.00 0.00 C ATOM 0 HA PRO A 20 -8.800 8.144 10.910 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.910 7.403 12.806 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.615 7.106 13.080 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -6.497 5.205 12.093 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.772 4.922 13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.992 4.083 10.680 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.397 4.569 11.608 1.00 0.00 H new ATOM 259 N ASN A 21 -6.084 6.919 9.672 1.00 0.00 N ATOM 260 CA ASN A 21 -4.851 7.278 8.981 1.00 0.00 C ATOM 261 C ASN A 21 -5.137 8.210 7.807 1.00 0.00 C ATOM 262 O ASN A 21 -4.218 8.745 7.188 1.00 0.00 O ATOM 263 CB ASN A 21 -4.136 6.020 8.484 1.00 0.00 C ATOM 264 CG ASN A 21 -3.584 5.181 9.622 1.00 0.00 C ATOM 265 OD1 ASN A 21 -4.031 5.294 10.764 1.00 0.00 O ATOM 266 ND2 ASN A 21 -2.609 4.335 9.313 1.00 0.00 N ATOM 0 H ASN A 21 -6.316 5.927 9.632 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.206 7.800 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.830 5.419 7.896 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.321 6.307 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.198 3.744 10.036 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.271 4.276 8.353 1.00 0.00 H new ATOM 273 N ARG A 22 -6.418 8.400 7.508 1.00 0.00 N ATOM 274 CA ARG A 22 -6.826 9.267 6.409 1.00 0.00 C ATOM 275 C ARG A 22 -6.630 8.570 5.066 1.00 0.00 C ATOM 276 O ARG A 22 -6.236 9.196 4.081 1.00 0.00 O ATOM 277 CB ARG A 22 -6.029 10.572 6.439 1.00 0.00 C ATOM 278 CG ARG A 22 -5.831 11.133 7.838 1.00 0.00 C ATOM 279 CD ARG A 22 -4.469 11.792 7.986 1.00 0.00 C ATOM 280 NE ARG A 22 -4.168 12.685 6.871 1.00 0.00 N ATOM 281 CZ ARG A 22 -3.000 13.298 6.714 1.00 0.00 C ATOM 282 NH1 ARG A 22 -2.027 13.113 7.596 1.00 0.00 N ATOM 283 NH2 ARG A 22 -2.803 14.096 5.673 1.00 0.00 N ATOM 0 H ARG A 22 -7.191 7.965 8.011 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.885 9.493 6.531 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.053 10.403 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.542 11.315 5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.614 11.860 8.054 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.930 10.331 8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.438 12.355 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.700 11.023 8.052 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.895 12.847 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.175 12.499 8.397 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.131 13.585 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.549 14.239 4.992 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.906 14.566 5.553 1.00 0.00 H new ATOM 297 N CYS A 23 -6.908 7.271 5.033 1.00 0.00 N ATOM 298 CA CYS A 23 -6.762 6.488 3.812 1.00 0.00 C ATOM 299 C CYS A 23 -8.121 6.018 3.301 1.00 0.00 C ATOM 300 O CYS A 23 -9.025 5.697 4.073 1.00 0.00 O ATOM 301 CB CYS A 23 -5.853 5.282 4.060 1.00 0.00 C ATOM 302 SG CYS A 23 -6.727 3.804 4.666 1.00 0.00 S ATOM 0 H CYS A 23 -7.236 6.738 5.839 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.309 7.126 3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.338 5.032 3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -5.087 5.561 4.784 1.00 0.00 H new ATOM 307 N PRO A 24 -8.270 5.974 1.969 1.00 0.00 N ATOM 308 CA PRO A 24 -9.514 5.544 1.325 1.00 0.00 C ATOM 309 C PRO A 24 -9.772 4.051 1.501 1.00 0.00 C ATOM 310 O PRO A 24 -9.782 3.295 0.530 1.00 0.00 O ATOM 311 CB PRO A 24 -9.283 5.877 -0.151 1.00 0.00 C ATOM 312 CG PRO A 24 -7.803 5.858 -0.317 1.00 0.00 C ATOM 313 CD PRO A 24 -7.234 6.341 0.989 1.00 0.00 C ATOM 0 HA PRO A 24 -10.387 6.035 1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.764 5.146 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.697 6.852 -0.406 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.449 4.854 -0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.494 6.503 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.281 5.862 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.056 7.416 0.976 1.00 0.00 H new ATOM 321 N MET A 25 -9.979 3.634 2.745 1.00 0.00 N ATOM 322 CA MET A 25 -10.238 2.230 3.047 1.00 0.00 C ATOM 323 C MET A 25 -10.965 2.086 4.380 1.00 0.00 C ATOM 324 O MET A 25 -10.453 2.489 5.425 1.00 0.00 O ATOM 325 CB MET A 25 -8.927 1.443 3.080 1.00 0.00 C ATOM 326 CG MET A 25 -8.651 0.667 1.803 1.00 0.00 C ATOM 327 SD MET A 25 -8.214 -1.054 2.116 1.00 0.00 S ATOM 328 CE MET A 25 -9.692 -1.634 2.945 1.00 0.00 C ATOM 0 H MET A 25 -9.973 4.247 3.560 1.00 0.00 H new ATOM 0 HA MET A 25 -10.875 1.827 2.260 1.00 0.00 H new ATOM 0 HB2 MET A 25 -8.103 2.133 3.261 1.00 0.00 H new ATOM 0 HB3 MET A 25 -8.951 0.748 3.919 1.00 0.00 H new ATOM 0 HG2 MET A 25 -9.533 0.703 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 25 -7.841 1.150 1.257 1.00 0.00 H new ATOM 0 HE1 MET A 25 -9.415 -2.324 3.742 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.228 -0.785 3.369 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.334 -2.147 2.228 1.00 0.00 H new ATOM 338 N LYS A 26 -12.161 1.509 4.337 1.00 0.00 N ATOM 339 CA LYS A 26 -12.959 1.311 5.542 1.00 0.00 C ATOM 340 C LYS A 26 -12.988 -0.162 5.938 1.00 0.00 C ATOM 341 O LYS A 26 -13.293 -1.030 5.120 1.00 0.00 O ATOM 342 CB LYS A 26 -14.386 1.819 5.323 1.00 0.00 C ATOM 343 CG LYS A 26 -14.451 3.174 4.639 1.00 0.00 C ATOM 344 CD LYS A 26 -15.879 3.684 4.545 1.00 0.00 C ATOM 345 CE LYS A 26 -15.936 5.201 4.630 1.00 0.00 C ATOM 346 NZ LYS A 26 -16.196 5.670 6.019 1.00 0.00 N ATOM 0 H LYS A 26 -12.599 1.170 3.481 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.498 1.878 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.933 1.092 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.892 1.883 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.843 3.891 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -14.024 3.098 3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.323 3.354 3.606 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -16.475 3.251 5.349 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.994 5.620 4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.719 5.572 3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.947 6.677 6.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.203 5.544 6.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.620 5.117 6.686 1.00 0.00 H new ATOM 360 N LEU A 27 -12.670 -0.436 7.199 1.00 0.00 N ATOM 361 CA LEU A 27 -12.661 -1.805 7.705 1.00 0.00 C ATOM 362 C LEU A 27 -13.808 -2.030 8.685 1.00 0.00 C ATOM 363 O LEU A 27 -14.767 -2.739 8.381 1.00 0.00 O ATOM 364 CB LEU A 27 -11.326 -2.109 8.386 1.00 0.00 C ATOM 365 CG LEU A 27 -10.111 -1.351 7.849 1.00 0.00 C ATOM 366 CD1 LEU A 27 -10.068 -1.417 6.331 1.00 0.00 C ATOM 367 CD2 LEU A 27 -10.133 0.095 8.322 1.00 0.00 C ATOM 0 H LEU A 27 -12.415 0.271 7.889 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.792 -2.480 6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.425 -1.890 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.131 -3.178 8.297 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.210 -1.826 8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.197 -0.872 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.003 -2.458 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.973 -0.969 5.922 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.261 0.619 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.040 0.581 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.113 0.122 9.411 1.00 0.00 H new ATOM 379 N SER A 28 -13.703 -1.420 9.861 1.00 0.00 N ATOM 380 CA SER A 28 -14.730 -1.555 10.887 1.00 0.00 C ATOM 381 C SER A 28 -14.174 -1.202 12.263 1.00 0.00 C ATOM 382 O SER A 28 -12.985 -0.917 12.410 1.00 0.00 O ATOM 383 CB SER A 28 -15.284 -2.982 10.899 1.00 0.00 C ATOM 384 OG SER A 28 -15.857 -3.295 12.157 1.00 0.00 O ATOM 0 H SER A 28 -12.917 -0.827 10.127 1.00 0.00 H new ATOM 0 HA SER A 28 -15.537 -0.861 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 28 -16.035 -3.091 10.116 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.485 -3.688 10.674 1.00 0.00 H new ATOM 0 HG SER A 28 -16.205 -4.211 12.139 1.00 0.00 H new ATOM 390 N ARG A 29 -15.043 -1.222 13.268 1.00 0.00 N ATOM 391 CA ARG A 29 -14.640 -0.903 14.633 1.00 0.00 C ATOM 392 C ARG A 29 -13.998 -2.112 15.307 1.00 0.00 C ATOM 393 O ARG A 29 -13.872 -2.158 16.531 1.00 0.00 O ATOM 394 CB ARG A 29 -15.847 -0.432 15.446 1.00 0.00 C ATOM 395 CG ARG A 29 -16.236 1.012 15.178 1.00 0.00 C ATOM 396 CD ARG A 29 -17.542 1.375 15.869 1.00 0.00 C ATOM 397 NE ARG A 29 -18.703 0.859 15.150 1.00 0.00 N ATOM 398 CZ ARG A 29 -19.958 1.077 15.528 1.00 0.00 C ATOM 399 NH1 ARG A 29 -20.212 1.797 16.612 1.00 0.00 N ATOM 400 NH2 ARG A 29 -20.962 0.574 14.820 1.00 0.00 N ATOM 0 H ARG A 29 -16.030 -1.456 13.163 1.00 0.00 H new ATOM 0 HA ARG A 29 -13.904 -0.100 14.590 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -16.698 -1.076 15.223 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.628 -0.549 16.507 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -15.443 1.674 15.526 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.335 1.170 14.104 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -17.538 0.977 16.884 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -17.619 2.459 15.952 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.542 0.301 14.312 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -19.443 2.185 17.158 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -21.176 1.963 16.900 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -20.770 0.020 13.985 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -21.925 0.742 15.111 1.00 0.00 H new ATOM 414 N ARG A 30 -13.595 -3.088 14.501 1.00 0.00 N ATOM 415 CA ARG A 30 -12.968 -4.298 15.020 1.00 0.00 C ATOM 416 C ARG A 30 -11.592 -4.508 14.396 1.00 0.00 C ATOM 417 O ARG A 30 -10.617 -4.782 15.096 1.00 0.00 O ATOM 418 CB ARG A 30 -13.855 -5.515 14.746 1.00 0.00 C ATOM 419 CG ARG A 30 -13.261 -6.824 15.239 1.00 0.00 C ATOM 420 CD ARG A 30 -13.435 -6.985 16.741 1.00 0.00 C ATOM 421 NE ARG A 30 -12.630 -6.025 17.492 1.00 0.00 N ATOM 422 CZ ARG A 30 -12.914 -5.637 18.730 1.00 0.00 C ATOM 423 NH1 ARG A 30 -13.976 -6.126 19.355 1.00 0.00 N ATOM 424 NH2 ARG A 30 -12.133 -4.760 19.347 1.00 0.00 N ATOM 0 H ARG A 30 -13.691 -3.065 13.486 1.00 0.00 H new ATOM 0 HA ARG A 30 -12.846 -4.181 16.097 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -14.823 -5.363 15.222 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.035 -5.589 13.674 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.739 -7.658 14.725 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.201 -6.861 14.989 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.486 -6.857 17.000 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.156 -7.998 17.032 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.804 -5.631 17.041 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -14.578 -6.802 18.885 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.191 -5.826 20.306 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.314 -4.383 18.871 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.352 -4.463 20.298 1.00 0.00 H new ATOM 438 N ASP A 31 -11.520 -4.377 13.076 1.00 0.00 N ATOM 439 CA ASP A 31 -10.264 -4.552 12.357 1.00 0.00 C ATOM 440 C ASP A 31 -9.566 -3.211 12.150 1.00 0.00 C ATOM 441 O ASP A 31 -8.631 -3.102 11.355 1.00 0.00 O ATOM 442 CB ASP A 31 -10.513 -5.225 11.007 1.00 0.00 C ATOM 443 CG ASP A 31 -10.934 -6.674 11.151 1.00 0.00 C ATOM 444 OD1 ASP A 31 -10.816 -7.217 12.270 1.00 0.00 O ATOM 445 OD2 ASP A 31 -11.381 -7.266 10.146 1.00 0.00 O ATOM 0 H ASP A 31 -12.317 -4.150 12.482 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.616 -5.190 12.957 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.286 -4.677 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.606 -5.171 10.405 1.00 0.00 H new ATOM 450 N LEU A 32 -10.026 -2.193 12.868 1.00 0.00 N ATOM 451 CA LEU A 32 -9.447 -0.858 12.762 1.00 0.00 C ATOM 452 C LEU A 32 -8.002 -0.851 13.253 1.00 0.00 C ATOM 453 O LEU A 32 -7.095 -0.360 12.582 1.00 0.00 O ATOM 454 CB LEU A 32 -10.276 0.144 13.567 1.00 0.00 C ATOM 455 CG LEU A 32 -10.316 1.572 13.023 1.00 0.00 C ATOM 456 CD1 LEU A 32 -10.490 1.563 11.512 1.00 0.00 C ATOM 457 CD2 LEU A 32 -11.434 2.364 13.685 1.00 0.00 C ATOM 0 H LEU A 32 -10.798 -2.266 13.530 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.456 -0.567 11.712 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.299 -0.228 13.630 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.885 0.175 14.584 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.367 2.056 13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.516 2.588 11.143 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.655 1.033 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.423 1.061 11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.447 3.378 13.286 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.390 1.882 13.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.266 2.400 14.761 1.00 0.00 H new ATOM 469 N PRO A 33 -7.782 -1.411 14.452 1.00 0.00 N ATOM 470 CA PRO A 33 -6.449 -1.484 15.059 1.00 0.00 C ATOM 471 C PRO A 33 -5.532 -2.457 14.327 1.00 0.00 C ATOM 472 O PRO A 33 -4.309 -2.350 14.404 1.00 0.00 O ATOM 473 CB PRO A 33 -6.732 -1.981 16.478 1.00 0.00 C ATOM 474 CG PRO A 33 -8.021 -2.721 16.371 1.00 0.00 C ATOM 475 CD PRO A 33 -8.816 -2.015 15.308 1.00 0.00 C ATOM 0 HA PRO A 33 -5.932 -0.525 15.024 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.932 -2.629 16.837 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.809 -1.151 17.180 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.851 -3.764 16.103 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -8.553 -2.718 17.322 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.445 -2.708 14.750 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.476 -1.260 15.735 1.00 0.00 H new ATOM 483 N ALA A 34 -6.131 -3.407 13.616 1.00 0.00 N ATOM 484 CA ALA A 34 -5.367 -4.398 12.868 1.00 0.00 C ATOM 485 C ALA A 34 -5.182 -3.967 11.417 1.00 0.00 C ATOM 486 O ALA A 34 -4.680 -4.731 10.591 1.00 0.00 O ATOM 487 CB ALA A 34 -6.055 -5.754 12.934 1.00 0.00 C ATOM 0 H ALA A 34 -7.143 -3.511 13.542 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.380 -4.480 13.324 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.474 -6.485 12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.131 -6.073 13.973 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.054 -5.676 12.505 1.00 0.00 H new ATOM 493 N HIS A 35 -5.589 -2.739 11.112 1.00 0.00 N ATOM 494 CA HIS A 35 -5.467 -2.207 9.760 1.00 0.00 C ATOM 495 C HIS A 35 -4.332 -1.191 9.676 1.00 0.00 C ATOM 496 O HIS A 35 -3.572 -1.173 8.707 1.00 0.00 O ATOM 497 CB HIS A 35 -6.781 -1.558 9.325 1.00 0.00 C ATOM 498 CG HIS A 35 -6.660 -0.739 8.076 1.00 0.00 C ATOM 499 ND1 HIS A 35 -6.358 -1.284 6.846 1.00 0.00 N ATOM 500 CD2 HIS A 35 -6.805 0.591 7.872 1.00 0.00 C ATOM 501 CE1 HIS A 35 -6.319 -0.323 5.939 1.00 0.00 C ATOM 502 NE2 HIS A 35 -6.588 0.824 6.536 1.00 0.00 N ATOM 0 H HIS A 35 -6.006 -2.094 11.783 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.240 -3.035 9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.527 -2.337 9.168 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.148 -0.923 10.132 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.191 -2.274 6.664 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -7.046 1.331 8.620 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.104 -0.454 4.889 1.00 0.00 H new ATOM 510 N LEU A 36 -4.224 -0.347 10.696 1.00 0.00 N ATOM 511 CA LEU A 36 -3.181 0.673 10.738 1.00 0.00 C ATOM 512 C LEU A 36 -1.838 0.063 11.125 1.00 0.00 C ATOM 513 O LEU A 36 -0.809 0.738 11.100 1.00 0.00 O ATOM 514 CB LEU A 36 -3.558 1.775 11.729 1.00 0.00 C ATOM 515 CG LEU A 36 -5.054 2.048 11.893 1.00 0.00 C ATOM 516 CD1 LEU A 36 -5.285 3.171 12.891 1.00 0.00 C ATOM 517 CD2 LEU A 36 -5.684 2.387 10.550 1.00 0.00 C ATOM 0 H LEU A 36 -4.845 -0.348 11.505 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.089 1.105 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.148 1.514 12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.073 2.699 11.416 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.529 1.145 12.277 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.355 3.351 12.995 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.869 2.889 13.858 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.797 4.079 12.537 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.749 2.578 10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.205 3.275 10.137 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.550 1.551 9.864 1.00 0.00 H new ATOM 529 N GLN A 37 -1.856 -1.218 11.480 1.00 0.00 N ATOM 530 CA GLN A 37 -0.638 -1.919 11.871 1.00 0.00 C ATOM 531 C GLN A 37 0.174 -2.323 10.645 1.00 0.00 C ATOM 532 O GLN A 37 1.305 -1.872 10.460 1.00 0.00 O ATOM 533 CB GLN A 37 -0.981 -3.157 12.701 1.00 0.00 C ATOM 534 CG GLN A 37 0.187 -4.113 12.878 1.00 0.00 C ATOM 535 CD GLN A 37 -0.103 -5.208 13.886 1.00 0.00 C ATOM 536 OE1 GLN A 37 -0.955 -5.052 14.761 1.00 0.00 O ATOM 537 NE2 GLN A 37 0.606 -6.325 13.768 1.00 0.00 N ATOM 0 H GLN A 37 -2.699 -1.791 11.505 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.036 -1.241 12.476 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.332 -2.840 13.683 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.805 -3.687 12.224 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.431 -4.565 11.916 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.065 -3.552 13.199 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.302 -6.411 13.028 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.454 -7.096 14.418 1.00 0.00 H new ATOM 546 N HIS A 38 -0.409 -3.177 9.810 1.00 0.00 N ATOM 547 CA HIS A 38 0.261 -3.642 8.601 1.00 0.00 C ATOM 548 C HIS A 38 -0.750 -3.927 7.494 1.00 0.00 C ATOM 549 O HIS A 38 -0.472 -4.686 6.566 1.00 0.00 O ATOM 550 CB HIS A 38 1.078 -4.901 8.897 1.00 0.00 C ATOM 551 CG HIS A 38 0.245 -6.065 9.337 1.00 0.00 C ATOM 552 ND1 HIS A 38 0.488 -7.360 8.931 1.00 0.00 N ATOM 553 CD2 HIS A 38 -0.832 -6.124 10.155 1.00 0.00 C ATOM 554 CE1 HIS A 38 -0.405 -8.166 9.478 1.00 0.00 C ATOM 555 NE2 HIS A 38 -1.217 -7.441 10.226 1.00 0.00 N ATOM 0 H HIS A 38 -1.344 -3.561 9.948 1.00 0.00 H new ATOM 0 HA HIS A 38 0.932 -2.853 8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.636 -5.181 8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.810 -4.675 9.672 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.301 -5.291 10.658 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.461 -9.235 9.337 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.002 -7.801 10.768 1.00 0.00 H new ATOM 563 N ASP A 39 -1.923 -3.313 7.600 1.00 0.00 N ATOM 564 CA ASP A 39 -2.976 -3.499 6.608 1.00 0.00 C ATOM 565 C ASP A 39 -3.466 -2.156 6.077 1.00 0.00 C ATOM 566 O ASP A 39 -4.484 -2.083 5.387 1.00 0.00 O ATOM 567 CB ASP A 39 -4.144 -4.280 7.213 1.00 0.00 C ATOM 568 CG ASP A 39 -4.291 -5.662 6.609 1.00 0.00 C ATOM 569 OD1 ASP A 39 -3.527 -6.568 7.005 1.00 0.00 O ATOM 570 OD2 ASP A 39 -5.171 -5.839 5.741 1.00 0.00 O ATOM 0 H ASP A 39 -2.169 -2.682 8.363 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.561 -4.068 5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.998 -4.371 8.289 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.068 -3.721 7.063 1.00 0.00 H new ATOM 575 N CYS A 40 -2.738 -1.094 6.404 1.00 0.00 N ATOM 576 CA CYS A 40 -3.098 0.247 5.962 1.00 0.00 C ATOM 577 C CYS A 40 -2.070 0.789 4.973 1.00 0.00 C ATOM 578 O CYS A 40 -0.861 0.676 5.172 1.00 0.00 O ATOM 579 CB CYS A 40 -3.213 1.189 7.162 1.00 0.00 C ATOM 580 SG CYS A 40 -3.603 2.913 6.721 1.00 0.00 S ATOM 0 H CYS A 40 -1.894 -1.137 6.975 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.064 0.189 5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.986 0.813 7.832 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.274 1.171 7.716 1.00 0.00 H new ATOM 585 N PRO A 41 -2.561 1.392 3.880 1.00 0.00 N ATOM 586 CA PRO A 41 -1.703 1.965 2.839 1.00 0.00 C ATOM 587 C PRO A 41 -0.965 3.211 3.316 1.00 0.00 C ATOM 588 O PRO A 41 0.167 3.469 2.908 1.00 0.00 O ATOM 589 CB PRO A 41 -2.688 2.320 1.723 1.00 0.00 C ATOM 590 CG PRO A 41 -3.991 2.519 2.417 1.00 0.00 C ATOM 591 CD PRO A 41 -3.992 1.563 3.578 1.00 0.00 C ATOM 0 HA PRO A 41 -0.920 1.273 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.379 3.222 1.194 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.752 1.523 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.098 3.548 2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.826 2.318 1.745 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.537 1.967 4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.464 0.615 3.318 1.00 0.00 H new ATOM 599 N LYS A 42 -1.614 3.982 4.182 1.00 0.00 N ATOM 600 CA LYS A 42 -1.020 5.201 4.716 1.00 0.00 C ATOM 601 C LYS A 42 -0.571 5.000 6.160 1.00 0.00 C ATOM 602 O LYS A 42 -0.579 5.937 6.959 1.00 0.00 O ATOM 603 CB LYS A 42 -2.020 6.357 4.638 1.00 0.00 C ATOM 604 CG LYS A 42 -2.777 6.419 3.323 1.00 0.00 C ATOM 605 CD LYS A 42 -2.164 7.437 2.375 1.00 0.00 C ATOM 606 CE LYS A 42 -2.552 8.857 2.755 1.00 0.00 C ATOM 607 NZ LYS A 42 -1.485 9.836 2.407 1.00 0.00 N ATOM 0 H LYS A 42 -2.552 3.784 4.529 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.146 5.444 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.735 6.263 5.455 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.488 7.297 4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.774 5.435 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.818 6.678 3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.078 7.340 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.491 7.230 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.476 9.130 2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.753 8.904 3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.788 10.792 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.610 9.591 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.310 9.810 1.382 1.00 0.00 H new ATOM 621 N ARG A 43 -0.180 3.773 6.488 1.00 0.00 N ATOM 622 CA ARG A 43 0.273 3.450 7.835 1.00 0.00 C ATOM 623 C ARG A 43 1.263 4.495 8.342 1.00 0.00 C ATOM 624 O ARG A 43 1.337 4.765 9.540 1.00 0.00 O ATOM 625 CB ARG A 43 0.920 2.064 7.860 1.00 0.00 C ATOM 626 CG ARG A 43 2.126 1.939 6.944 1.00 0.00 C ATOM 627 CD ARG A 43 1.769 1.231 5.646 1.00 0.00 C ATOM 628 NE ARG A 43 2.952 0.909 4.854 1.00 0.00 N ATOM 629 CZ ARG A 43 2.921 0.164 3.754 1.00 0.00 C ATOM 630 NH1 ARG A 43 1.771 -0.332 3.319 1.00 0.00 N ATOM 631 NH2 ARG A 43 4.040 -0.085 3.088 1.00 0.00 N ATOM 0 H ARG A 43 -0.168 2.986 5.839 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.596 3.450 8.493 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.224 1.833 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.177 1.320 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.520 2.931 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.916 1.389 7.454 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.223 0.315 5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.102 1.863 5.060 1.00 0.00 H new ATOM 0 HE ARG A 43 3.852 1.276 5.162 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.908 -0.142 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.749 -0.904 2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.926 0.295 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.015 -0.657 2.244 1.00 0.00 H new ATOM 645 N ARG A 44 2.022 5.078 7.420 1.00 0.00 N ATOM 646 CA ARG A 44 3.009 6.092 7.773 1.00 0.00 C ATOM 647 C ARG A 44 4.240 5.454 8.412 1.00 0.00 C ATOM 648 O ARG A 44 4.729 5.918 9.442 1.00 0.00 O ATOM 649 CB ARG A 44 2.398 7.117 8.731 1.00 0.00 C ATOM 650 CG ARG A 44 0.985 7.533 8.357 1.00 0.00 C ATOM 651 CD ARG A 44 0.654 8.919 8.886 1.00 0.00 C ATOM 652 NE ARG A 44 0.875 9.023 10.326 1.00 0.00 N ATOM 653 CZ ARG A 44 0.973 10.179 10.973 1.00 0.00 C ATOM 654 NH1 ARG A 44 0.869 11.324 10.312 1.00 0.00 N ATOM 655 NH2 ARG A 44 1.175 10.192 12.285 1.00 0.00 N ATOM 0 H ARG A 44 1.973 4.866 6.424 1.00 0.00 H new ATOM 0 HA ARG A 44 3.317 6.598 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.391 6.701 9.738 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.034 8.002 8.756 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.876 7.521 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.274 6.810 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.266 9.659 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.386 9.154 8.661 1.00 0.00 H new ATOM 0 HE ARG A 44 0.959 8.161 10.864 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.713 11.319 9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.945 12.210 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.255 9.314 12.797 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.250 11.080 12.781 1.00 0.00 H new ATOM 669 N LEU A 45 4.734 4.388 7.793 1.00 0.00 N ATOM 670 CA LEU A 45 5.908 3.685 8.301 1.00 0.00 C ATOM 671 C LEU A 45 6.850 3.306 7.163 1.00 0.00 C ATOM 672 O LEU A 45 6.588 2.367 6.411 1.00 0.00 O ATOM 673 CB LEU A 45 5.484 2.430 9.066 1.00 0.00 C ATOM 674 CG LEU A 45 4.896 2.660 10.458 1.00 0.00 C ATOM 675 CD1 LEU A 45 4.110 1.440 10.914 1.00 0.00 C ATOM 676 CD2 LEU A 45 5.997 2.989 11.455 1.00 0.00 C ATOM 0 H LEU A 45 4.341 3.991 6.939 1.00 0.00 H new ATOM 0 HA LEU A 45 6.437 4.355 8.979 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.748 1.895 8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.352 1.777 9.163 1.00 0.00 H new ATOM 0 HG LEU A 45 4.214 3.509 10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.699 1.622 11.907 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.297 1.249 10.214 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.770 0.574 10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.559 3.150 12.440 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.704 2.161 11.502 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.517 3.893 11.137 1.00 0.00 H new ATOM 688 N LYS A 46 7.950 4.042 7.042 1.00 0.00 N ATOM 689 CA LYS A 46 8.934 3.783 5.998 1.00 0.00 C ATOM 690 C LYS A 46 10.319 3.562 6.600 1.00 0.00 C ATOM 691 O LYS A 46 10.589 3.971 7.729 1.00 0.00 O ATOM 692 CB LYS A 46 8.977 4.948 5.008 1.00 0.00 C ATOM 693 CG LYS A 46 9.874 6.091 5.452 1.00 0.00 C ATOM 694 CD LYS A 46 9.661 7.331 4.599 1.00 0.00 C ATOM 695 CE LYS A 46 9.911 7.045 3.126 1.00 0.00 C ATOM 696 NZ LYS A 46 8.682 6.560 2.439 1.00 0.00 N ATOM 0 H LYS A 46 8.182 4.823 7.655 1.00 0.00 H new ATOM 0 HA LYS A 46 8.637 2.877 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.323 4.580 4.042 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.966 5.327 4.862 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.673 6.328 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.917 5.781 5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.642 7.695 4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.329 8.124 4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.268 7.951 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.700 6.299 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.825 5.579 2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.878 6.598 3.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.483 7.163 1.616 1.00 0.00 H new ATOM 710 N CYS A 47 11.193 2.913 5.837 1.00 0.00 N ATOM 711 CA CYS A 47 12.550 2.638 6.294 1.00 0.00 C ATOM 712 C CYS A 47 13.337 3.933 6.472 1.00 0.00 C ATOM 713 O CYS A 47 13.011 4.956 5.871 1.00 0.00 O ATOM 714 CB CYS A 47 13.269 1.724 5.299 1.00 0.00 C ATOM 715 SG CYS A 47 14.910 1.162 5.859 1.00 0.00 S ATOM 0 H CYS A 47 10.985 2.568 4.900 1.00 0.00 H new ATOM 0 HA CYS A 47 12.487 2.136 7.260 1.00 0.00 H new ATOM 0 HB2 CYS A 47 12.644 0.852 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.381 2.252 4.352 1.00 0.00 H new ATOM 720 N GLU A 48 14.374 3.880 7.302 1.00 0.00 N ATOM 721 CA GLU A 48 15.206 5.049 7.560 1.00 0.00 C ATOM 722 C GLU A 48 16.485 5.000 6.729 1.00 0.00 C ATOM 723 O GLU A 48 17.039 6.036 6.360 1.00 0.00 O ATOM 724 CB GLU A 48 15.554 5.137 9.047 1.00 0.00 C ATOM 725 CG GLU A 48 16.914 5.759 9.319 1.00 0.00 C ATOM 726 CD GLU A 48 16.959 6.511 10.635 1.00 0.00 C ATOM 727 OE1 GLU A 48 15.891 6.676 11.260 1.00 0.00 O ATOM 728 OE2 GLU A 48 18.062 6.935 11.039 1.00 0.00 O ATOM 0 H GLU A 48 14.658 3.040 7.807 1.00 0.00 H new ATOM 0 HA GLU A 48 14.641 5.936 7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.788 5.722 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.529 4.136 9.477 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.672 4.976 9.326 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.167 6.440 8.507 1.00 0.00 H new ATOM 735 N PHE A 49 16.949 3.789 6.439 1.00 0.00 N ATOM 736 CA PHE A 49 18.164 3.604 5.653 1.00 0.00 C ATOM 737 C PHE A 49 17.908 3.902 4.179 1.00 0.00 C ATOM 738 O PHE A 49 18.372 4.911 3.648 1.00 0.00 O ATOM 739 CB PHE A 49 18.687 2.175 5.814 1.00 0.00 C ATOM 740 CG PHE A 49 18.864 1.759 7.246 1.00 0.00 C ATOM 741 CD1 PHE A 49 19.122 2.701 8.228 1.00 0.00 C ATOM 742 CD2 PHE A 49 18.772 0.425 7.610 1.00 0.00 C ATOM 743 CE1 PHE A 49 19.286 2.320 9.547 1.00 0.00 C ATOM 744 CE2 PHE A 49 18.934 0.038 8.927 1.00 0.00 C ATOM 745 CZ PHE A 49 19.191 0.987 9.897 1.00 0.00 C ATOM 0 H PHE A 49 16.503 2.921 6.736 1.00 0.00 H new ATOM 0 HA PHE A 49 18.916 4.302 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 49 17.996 1.487 5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 49 19.643 2.086 5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 49 19.196 3.745 7.961 1.00 0.00 H new ATOM 0 HD2 PHE A 49 18.571 -0.321 6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 49 19.488 3.064 10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 49 18.860 -1.005 9.197 1.00 0.00 H new ATOM 0 HZ PHE A 49 19.317 0.688 10.927 1.00 0.00 H new ATOM 755 N CYS A 50 17.167 3.016 3.522 1.00 0.00 N ATOM 756 CA CYS A 50 16.849 3.181 2.109 1.00 0.00 C ATOM 757 C CYS A 50 15.696 4.163 1.922 1.00 0.00 C ATOM 758 O CYS A 50 15.740 5.029 1.050 1.00 0.00 O ATOM 759 CB CYS A 50 16.491 1.831 1.485 1.00 0.00 C ATOM 760 SG CYS A 50 15.018 1.043 2.211 1.00 0.00 S ATOM 0 H CYS A 50 16.775 2.175 3.946 1.00 0.00 H new ATOM 0 HA CYS A 50 17.730 3.583 1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.326 1.969 0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.341 1.157 1.592 1.00 0.00 H new ATOM 765 N GLY A 51 14.664 4.020 2.749 1.00 0.00 N ATOM 766 CA GLY A 51 13.514 4.900 2.658 1.00 0.00 C ATOM 767 C GLY A 51 12.428 4.345 1.760 1.00 0.00 C ATOM 768 O GLY A 51 12.045 4.976 0.773 1.00 0.00 O ATOM 0 H GLY A 51 14.604 3.311 3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 51 13.107 5.065 3.656 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.833 5.871 2.279 1.00 0.00 H new ATOM 772 N CYS A 52 11.930 3.161 2.099 1.00 0.00 N ATOM 773 CA CYS A 52 10.882 2.518 1.313 1.00 0.00 C ATOM 774 C CYS A 52 9.669 2.201 2.182 1.00 0.00 C ATOM 775 O CYS A 52 9.794 1.580 3.237 1.00 0.00 O ATOM 776 CB CYS A 52 11.412 1.237 0.668 1.00 0.00 C ATOM 777 SG CYS A 52 12.781 1.502 -0.483 1.00 0.00 S ATOM 0 H CYS A 52 12.235 2.627 2.913 1.00 0.00 H new ATOM 0 HA CYS A 52 10.574 3.209 0.529 1.00 0.00 H new ATOM 0 HB2 CYS A 52 11.739 0.556 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 52 10.596 0.745 0.138 1.00 0.00 H new ATOM 0 HG CYS A 52 13.909 1.413 0.157 1.00 0.00 H new ATOM 783 N ASP A 53 8.497 2.632 1.731 1.00 0.00 N ATOM 784 CA ASP A 53 7.260 2.395 2.467 1.00 0.00 C ATOM 785 C ASP A 53 7.181 0.948 2.945 1.00 0.00 C ATOM 786 O ASP A 53 7.406 0.016 2.173 1.00 0.00 O ATOM 787 CB ASP A 53 6.050 2.723 1.591 1.00 0.00 C ATOM 788 CG ASP A 53 4.851 3.172 2.405 1.00 0.00 C ATOM 789 OD1 ASP A 53 5.043 3.948 3.364 1.00 0.00 O ATOM 790 OD2 ASP A 53 3.723 2.747 2.081 1.00 0.00 O ATOM 0 H ASP A 53 8.377 3.148 0.859 1.00 0.00 H new ATOM 0 HA ASP A 53 7.254 3.048 3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.319 3.507 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.780 1.844 1.006 1.00 0.00 H new ATOM 795 N PHE A 54 6.862 0.769 4.222 1.00 0.00 N ATOM 796 CA PHE A 54 6.756 -0.564 4.803 1.00 0.00 C ATOM 797 C PHE A 54 5.654 -0.611 5.858 1.00 0.00 C ATOM 798 O PHE A 54 5.071 0.415 6.208 1.00 0.00 O ATOM 799 CB PHE A 54 8.091 -0.981 5.425 1.00 0.00 C ATOM 800 CG PHE A 54 9.152 -1.297 4.410 1.00 0.00 C ATOM 801 CD1 PHE A 54 8.944 -2.277 3.453 1.00 0.00 C ATOM 802 CD2 PHE A 54 10.357 -0.613 4.412 1.00 0.00 C ATOM 803 CE1 PHE A 54 9.919 -2.571 2.519 1.00 0.00 C ATOM 804 CE2 PHE A 54 11.335 -0.901 3.479 1.00 0.00 C ATOM 805 CZ PHE A 54 11.116 -1.881 2.531 1.00 0.00 C ATOM 0 H PHE A 54 6.672 1.530 4.874 1.00 0.00 H new ATOM 0 HA PHE A 54 6.502 -1.262 4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.447 -0.180 6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 54 7.931 -1.855 6.056 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.009 -2.817 3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.534 0.154 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.746 -3.339 1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.270 -0.360 3.491 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.879 -2.108 1.801 1.00 0.00 H new ATOM 815 N SER A 55 5.375 -1.810 6.361 1.00 0.00 N ATOM 816 CA SER A 55 4.341 -1.992 7.372 1.00 0.00 C ATOM 817 C SER A 55 4.937 -1.933 8.775 1.00 0.00 C ATOM 818 O SER A 55 6.133 -1.699 8.945 1.00 0.00 O ATOM 819 CB SER A 55 3.626 -3.330 7.166 1.00 0.00 C ATOM 820 OG SER A 55 2.537 -3.193 6.270 1.00 0.00 O ATOM 0 H SER A 55 5.851 -2.669 6.085 1.00 0.00 H new ATOM 0 HA SER A 55 3.619 -1.182 7.268 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.330 -4.066 6.778 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.268 -3.706 8.124 1.00 0.00 H new ATOM 0 HG SER A 55 2.098 -4.061 6.154 1.00 0.00 H new ATOM 826 N GLY A 56 4.092 -2.145 9.780 1.00 0.00 N ATOM 827 CA GLY A 56 4.552 -2.111 11.156 1.00 0.00 C ATOM 828 C GLY A 56 5.172 -3.423 11.593 1.00 0.00 C ATOM 829 O GLY A 56 6.034 -3.448 12.471 1.00 0.00 O ATOM 0 H GLY A 56 3.097 -2.340 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.283 -1.311 11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.713 -1.873 11.810 1.00 0.00 H new ATOM 833 N GLU A 57 4.732 -4.517 10.979 1.00 0.00 N ATOM 834 CA GLU A 57 5.249 -5.840 11.312 1.00 0.00 C ATOM 835 C GLU A 57 6.438 -6.198 10.426 1.00 0.00 C ATOM 836 O GLU A 57 7.249 -7.055 10.775 1.00 0.00 O ATOM 837 CB GLU A 57 4.150 -6.894 11.162 1.00 0.00 C ATOM 838 CG GLU A 57 4.677 -8.318 11.099 1.00 0.00 C ATOM 839 CD GLU A 57 5.273 -8.778 12.415 1.00 0.00 C ATOM 840 OE1 GLU A 57 5.499 -7.922 13.296 1.00 0.00 O ATOM 841 OE2 GLU A 57 5.515 -9.994 12.563 1.00 0.00 O ATOM 0 H GLU A 57 4.020 -4.514 10.249 1.00 0.00 H new ATOM 0 HA GLU A 57 5.584 -5.821 12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.459 -6.808 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.580 -6.686 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.866 -8.989 10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.434 -8.387 10.318 1.00 0.00 H new ATOM 848 N ALA A 58 6.533 -5.537 9.277 1.00 0.00 N ATOM 849 CA ALA A 58 7.622 -5.784 8.341 1.00 0.00 C ATOM 850 C ALA A 58 8.795 -4.846 8.604 1.00 0.00 C ATOM 851 O ALA A 58 9.934 -5.289 8.755 1.00 0.00 O ATOM 852 CB ALA A 58 7.132 -5.631 6.909 1.00 0.00 C ATOM 0 H ALA A 58 5.868 -4.826 8.972 1.00 0.00 H new ATOM 0 HA ALA A 58 7.969 -6.807 8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.956 -5.818 6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 58 6.331 -6.346 6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.757 -4.619 6.759 1.00 0.00 H new ATOM 858 N TYR A 59 8.510 -3.550 8.656 1.00 0.00 N ATOM 859 CA TYR A 59 9.543 -2.549 8.897 1.00 0.00 C ATOM 860 C TYR A 59 10.574 -3.061 9.898 1.00 0.00 C ATOM 861 O TYR A 59 11.778 -2.899 9.703 1.00 0.00 O ATOM 862 CB TYR A 59 8.915 -1.252 9.411 1.00 0.00 C ATOM 863 CG TYR A 59 9.931 -0.214 9.832 1.00 0.00 C ATOM 864 CD1 TYR A 59 11.149 -0.098 9.174 1.00 0.00 C ATOM 865 CD2 TYR A 59 9.673 0.649 10.890 1.00 0.00 C ATOM 866 CE1 TYR A 59 12.080 0.849 9.555 1.00 0.00 C ATOM 867 CE2 TYR A 59 10.597 1.600 11.278 1.00 0.00 C ATOM 868 CZ TYR A 59 11.799 1.695 10.607 1.00 0.00 C ATOM 869 OH TYR A 59 12.723 2.640 10.992 1.00 0.00 O ATOM 0 H TYR A 59 7.572 -3.167 8.535 1.00 0.00 H new ATOM 0 HA TYR A 59 10.049 -2.350 7.952 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.280 -0.832 8.631 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.269 -1.482 10.259 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.372 -0.760 8.350 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.734 0.575 11.418 1.00 0.00 H new ATOM 0 HE1 TYR A 59 13.022 0.926 9.032 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.380 2.265 12.101 1.00 0.00 H new ATOM 0 HH TYR A 59 12.369 3.155 11.747 1.00 0.00 H new ATOM 879 N GLU A 60 10.090 -3.680 10.971 1.00 0.00 N ATOM 880 CA GLU A 60 10.970 -4.216 12.004 1.00 0.00 C ATOM 881 C GLU A 60 11.891 -5.289 11.431 1.00 0.00 C ATOM 882 O GLU A 60 13.086 -5.317 11.725 1.00 0.00 O ATOM 883 CB GLU A 60 10.146 -4.796 13.155 1.00 0.00 C ATOM 884 CG GLU A 60 9.374 -3.749 13.940 1.00 0.00 C ATOM 885 CD GLU A 60 10.280 -2.729 14.601 1.00 0.00 C ATOM 886 OE1 GLU A 60 11.140 -3.137 15.410 1.00 0.00 O ATOM 887 OE2 GLU A 60 10.130 -1.524 14.309 1.00 0.00 O ATOM 0 H GLU A 60 9.096 -3.823 11.147 1.00 0.00 H new ATOM 0 HA GLU A 60 11.585 -3.399 12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.445 -5.528 12.755 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.811 -5.329 13.834 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.683 -3.236 13.271 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.772 -4.243 14.703 1.00 0.00 H new ATOM 894 N SER A 61 11.325 -6.170 10.613 1.00 0.00 N ATOM 895 CA SER A 61 12.094 -7.249 10.002 1.00 0.00 C ATOM 896 C SER A 61 12.920 -6.730 8.829 1.00 0.00 C ATOM 897 O SER A 61 13.836 -7.402 8.354 1.00 0.00 O ATOM 898 CB SER A 61 11.160 -8.365 9.529 1.00 0.00 C ATOM 899 OG SER A 61 10.283 -8.769 10.566 1.00 0.00 O ATOM 0 H SER A 61 10.338 -6.159 10.358 1.00 0.00 H new ATOM 0 HA SER A 61 12.774 -7.649 10.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.581 -8.020 8.672 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.749 -9.219 9.193 1.00 0.00 H new ATOM 0 HG SER A 61 9.695 -9.482 10.238 1.00 0.00 H new ATOM 905 N HIS A 62 12.588 -5.529 8.365 1.00 0.00 N ATOM 906 CA HIS A 62 13.299 -4.919 7.247 1.00 0.00 C ATOM 907 C HIS A 62 14.565 -4.216 7.727 1.00 0.00 C ATOM 908 O HIS A 62 15.595 -4.248 7.055 1.00 0.00 O ATOM 909 CB HIS A 62 12.393 -3.923 6.522 1.00 0.00 C ATOM 910 CG HIS A 62 13.078 -3.189 5.411 1.00 0.00 C ATOM 911 ND1 HIS A 62 13.236 -3.714 4.146 1.00 0.00 N ATOM 912 CD2 HIS A 62 13.646 -1.961 5.380 1.00 0.00 C ATOM 913 CE1 HIS A 62 13.874 -2.842 3.386 1.00 0.00 C ATOM 914 NE2 HIS A 62 14.134 -1.769 4.111 1.00 0.00 N ATOM 0 H HIS A 62 11.832 -4.960 8.746 1.00 0.00 H new ATOM 0 HA HIS A 62 13.584 -5.711 6.554 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.532 -4.455 6.118 1.00 0.00 H new ATOM 0 HB3 HIS A 62 12.011 -3.200 7.243 1.00 0.00 H new ATOM 0 HD1 HIS A 62 12.911 -4.632 3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 62 13.705 -1.262 6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 62 14.138 -2.983 2.348 1.00 0.00 H new ATOM 922 N GLU A 63 14.479 -3.582 8.892 1.00 0.00 N ATOM 923 CA GLU A 63 15.618 -2.870 9.460 1.00 0.00 C ATOM 924 C GLU A 63 16.863 -3.752 9.463 1.00 0.00 C ATOM 925 O GLU A 63 17.987 -3.258 9.552 1.00 0.00 O ATOM 926 CB GLU A 63 15.301 -2.410 10.884 1.00 0.00 C ATOM 927 CG GLU A 63 15.702 -3.415 11.951 1.00 0.00 C ATOM 928 CD GLU A 63 17.028 -3.075 12.603 1.00 0.00 C ATOM 929 OE1 GLU A 63 17.352 -1.873 12.700 1.00 0.00 O ATOM 930 OE2 GLU A 63 17.742 -4.013 13.017 1.00 0.00 O ATOM 0 H GLU A 63 13.633 -3.547 9.461 1.00 0.00 H new ATOM 0 HA GLU A 63 15.815 -1.996 8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.813 -1.467 11.075 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.232 -2.215 10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.926 -3.457 12.715 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.765 -4.408 11.505 1.00 0.00 H new ATOM 937 N GLY A 64 16.655 -5.061 9.366 1.00 0.00 N ATOM 938 CA GLY A 64 17.769 -5.992 9.361 1.00 0.00 C ATOM 939 C GLY A 64 18.092 -6.501 7.970 1.00 0.00 C ATOM 940 O GLY A 64 19.233 -6.863 7.684 1.00 0.00 O ATOM 0 H GLY A 64 15.735 -5.494 9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.649 -5.503 9.779 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.535 -6.837 10.009 1.00 0.00 H new ATOM 944 N MET A 65 17.085 -6.530 7.103 1.00 0.00 N ATOM 945 CA MET A 65 17.268 -6.999 5.735 1.00 0.00 C ATOM 946 C MET A 65 17.086 -5.858 4.739 1.00 0.00 C ATOM 947 O MET A 65 16.393 -6.004 3.732 1.00 0.00 O ATOM 948 CB MET A 65 16.281 -8.126 5.423 1.00 0.00 C ATOM 949 CG MET A 65 16.793 -9.505 5.805 1.00 0.00 C ATOM 950 SD MET A 65 17.097 -9.668 7.575 1.00 0.00 S ATOM 951 CE MET A 65 18.497 -10.785 7.577 1.00 0.00 C ATOM 0 H MET A 65 16.134 -6.234 7.324 1.00 0.00 H new ATOM 0 HA MET A 65 18.285 -7.380 5.642 1.00 0.00 H new ATOM 0 HB2 MET A 65 15.346 -7.936 5.950 1.00 0.00 H new ATOM 0 HB3 MET A 65 16.054 -8.114 4.357 1.00 0.00 H new ATOM 0 HG2 MET A 65 16.067 -10.257 5.494 1.00 0.00 H new ATOM 0 HG3 MET A 65 17.716 -9.709 5.262 1.00 0.00 H new ATOM 0 HE1 MET A 65 18.803 -10.983 8.604 1.00 0.00 H new ATOM 0 HE2 MET A 65 18.216 -11.721 7.095 1.00 0.00 H new ATOM 0 HE3 MET A 65 19.325 -10.331 7.033 1.00 0.00 H new ATOM 961 N CYS A 66 17.712 -4.722 5.028 1.00 0.00 N ATOM 962 CA CYS A 66 17.618 -3.555 4.159 1.00 0.00 C ATOM 963 C CYS A 66 18.593 -3.667 2.990 1.00 0.00 C ATOM 964 O CYS A 66 19.759 -4.029 3.155 1.00 0.00 O ATOM 965 CB CYS A 66 17.901 -2.278 4.953 1.00 0.00 C ATOM 966 SG CYS A 66 17.687 -0.744 3.994 1.00 0.00 S ATOM 0 H CYS A 66 18.290 -4.585 5.857 1.00 0.00 H new ATOM 0 HA CYS A 66 16.604 -3.510 3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 66 17.240 -2.248 5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 66 18.922 -2.317 5.332 1.00 0.00 H new ATOM 971 N PRO A 67 18.107 -3.349 1.781 1.00 0.00 N ATOM 972 CA PRO A 67 18.919 -3.406 0.562 1.00 0.00 C ATOM 973 C PRO A 67 19.988 -2.319 0.526 1.00 0.00 C ATOM 974 O PRO A 67 20.939 -2.397 -0.250 1.00 0.00 O ATOM 975 CB PRO A 67 17.896 -3.187 -0.555 1.00 0.00 C ATOM 976 CG PRO A 67 16.788 -2.427 0.089 1.00 0.00 C ATOM 977 CD PRO A 67 16.728 -2.910 1.512 1.00 0.00 C ATOM 0 HA PRO A 67 19.466 -4.345 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 67 18.329 -2.628 -1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 67 17.543 -4.135 -0.960 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.976 -1.354 0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.843 -2.605 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.419 -2.117 2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 67 16.016 -3.727 1.630 1.00 0.00 H new ATOM 985 N GLN A 68 19.824 -1.306 1.372 1.00 0.00 N ATOM 986 CA GLN A 68 20.776 -0.204 1.436 1.00 0.00 C ATOM 987 C GLN A 68 20.968 0.267 2.873 1.00 0.00 C ATOM 988 O GLN A 68 20.213 1.104 3.368 1.00 0.00 O ATOM 989 CB GLN A 68 20.300 0.960 0.564 1.00 0.00 C ATOM 990 CG GLN A 68 20.780 0.879 -0.875 1.00 0.00 C ATOM 991 CD GLN A 68 22.259 1.183 -1.015 1.00 0.00 C ATOM 992 OE1 GLN A 68 22.834 1.911 -0.206 1.00 0.00 O ATOM 993 NE2 GLN A 68 22.883 0.625 -2.046 1.00 0.00 N ATOM 0 H GLN A 68 19.042 -1.226 2.021 1.00 0.00 H new ATOM 0 HA GLN A 68 21.734 -0.563 1.060 1.00 0.00 H new ATOM 0 HB2 GLN A 68 19.210 0.988 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 68 20.647 1.896 1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 68 20.580 -0.119 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 68 20.210 1.580 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 68 22.367 0.028 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 68 23.878 0.793 -2.192 1.00 0.00 H new ATOM 1002 N GLU A 69 21.983 -0.276 3.539 1.00 0.00 N ATOM 1003 CA GLU A 69 22.272 0.089 4.920 1.00 0.00 C ATOM 1004 C GLU A 69 23.540 0.934 5.006 1.00 0.00 C ATOM 1005 O GLU A 69 23.975 1.521 4.016 1.00 0.00 O ATOM 1006 CB GLU A 69 22.424 -1.167 5.781 1.00 0.00 C ATOM 1007 CG GLU A 69 21.448 -1.230 6.944 1.00 0.00 C ATOM 1008 CD GLU A 69 22.098 -1.714 8.226 1.00 0.00 C ATOM 1009 OE1 GLU A 69 23.185 -2.323 8.146 1.00 0.00 O ATOM 1010 OE2 GLU A 69 21.519 -1.483 9.308 1.00 0.00 O ATOM 0 H GLU A 69 22.618 -0.970 3.144 1.00 0.00 H new ATOM 0 HA GLU A 69 21.436 0.680 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 69 22.285 -2.047 5.153 1.00 0.00 H new ATOM 0 HB3 GLU A 69 23.442 -1.210 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 69 21.021 -0.241 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 69 20.623 -1.894 6.686 1.00 0.00 H new ATOM 1017 N SER A 70 24.127 0.991 6.197 1.00 0.00 N ATOM 1018 CA SER A 70 25.342 1.768 6.414 1.00 0.00 C ATOM 1019 C SER A 70 26.449 1.320 5.466 1.00 0.00 C ATOM 1020 O SER A 70 27.063 2.138 4.780 1.00 0.00 O ATOM 1021 CB SER A 70 25.809 1.628 7.864 1.00 0.00 C ATOM 1022 OG SER A 70 26.759 2.627 8.193 1.00 0.00 O ATOM 0 H SER A 70 23.781 0.509 7.026 1.00 0.00 H new ATOM 0 HA SER A 70 25.116 2.815 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 70 24.952 1.702 8.534 1.00 0.00 H new ATOM 0 HB3 SER A 70 26.247 0.641 8.014 1.00 0.00 H new ATOM 0 HG SER A 70 27.040 2.517 9.125 1.00 0.00 H new ATOM 1028 N SER A 71 26.699 0.015 5.431 1.00 0.00 N ATOM 1029 CA SER A 71 27.735 -0.542 4.570 1.00 0.00 C ATOM 1030 C SER A 71 27.357 -0.394 3.099 1.00 0.00 C ATOM 1031 O SER A 71 26.268 -0.789 2.684 1.00 0.00 O ATOM 1032 CB SER A 71 27.966 -2.018 4.903 1.00 0.00 C ATOM 1033 OG SER A 71 28.268 -2.189 6.277 1.00 0.00 O ATOM 0 H SER A 71 26.198 -0.676 5.989 1.00 0.00 H new ATOM 0 HA SER A 71 28.657 0.012 4.748 1.00 0.00 H new ATOM 0 HB2 SER A 71 27.077 -2.595 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 71 28.784 -2.407 4.296 1.00 0.00 H new ATOM 0 HG SER A 71 28.410 -3.140 6.465 1.00 0.00 H new ATOM 1039 N GLY A 72 28.266 0.178 2.315 1.00 0.00 N ATOM 1040 CA GLY A 72 28.010 0.369 0.900 1.00 0.00 C ATOM 1041 C GLY A 72 27.290 1.671 0.611 1.00 0.00 C ATOM 1042 O GLY A 72 26.185 1.688 0.070 1.00 0.00 O ATOM 0 H GLY A 72 29.175 0.512 2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 72 28.955 0.352 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 72 27.413 -0.463 0.526 1.00 0.00 H new ATOM 1046 N PRO A 73 27.924 2.795 0.978 1.00 0.00 N ATOM 1047 CA PRO A 73 27.355 4.130 0.766 1.00 0.00 C ATOM 1048 C PRO A 73 27.317 4.516 -0.708 1.00 0.00 C ATOM 1049 O PRO A 73 26.798 5.572 -1.070 1.00 0.00 O ATOM 1050 CB PRO A 73 28.308 5.048 1.536 1.00 0.00 C ATOM 1051 CG PRO A 73 29.601 4.310 1.568 1.00 0.00 C ATOM 1052 CD PRO A 73 29.244 2.850 1.628 1.00 0.00 C ATOM 0 HA PRO A 73 26.320 4.190 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 73 28.415 6.013 1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 73 27.940 5.246 2.543 1.00 0.00 H new ATOM 0 HG2 PRO A 73 30.198 4.530 0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 73 30.196 4.602 2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 73 29.976 2.235 1.104 1.00 0.00 H new ATOM 0 HD3 PRO A 73 29.201 2.489 2.655 1.00 0.00 H new ATOM 1060 N SER A 74 27.870 3.654 -1.556 1.00 0.00 N ATOM 1061 CA SER A 74 27.903 3.908 -2.991 1.00 0.00 C ATOM 1062 C SER A 74 26.597 4.542 -3.460 1.00 0.00 C ATOM 1063 O SER A 74 25.547 3.900 -3.460 1.00 0.00 O ATOM 1064 CB SER A 74 28.154 2.606 -3.755 1.00 0.00 C ATOM 1065 OG SER A 74 29.517 2.227 -3.681 1.00 0.00 O ATOM 0 H SER A 74 28.301 2.774 -1.274 1.00 0.00 H new ATOM 0 HA SER A 74 28.718 4.603 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 74 27.530 1.813 -3.343 1.00 0.00 H new ATOM 0 HB3 SER A 74 27.864 2.731 -4.798 1.00 0.00 H new ATOM 0 HG SER A 74 29.652 1.392 -4.175 1.00 0.00 H new ATOM 1071 N SER A 75 26.671 5.808 -3.860 1.00 0.00 N ATOM 1072 CA SER A 75 25.495 6.532 -4.328 1.00 0.00 C ATOM 1073 C SER A 75 25.049 6.017 -5.694 1.00 0.00 C ATOM 1074 O SER A 75 23.855 5.931 -5.977 1.00 0.00 O ATOM 1075 CB SER A 75 25.791 8.031 -4.407 1.00 0.00 C ATOM 1076 OG SER A 75 26.848 8.295 -5.313 1.00 0.00 O ATOM 0 H SER A 75 27.533 6.353 -3.869 1.00 0.00 H new ATOM 0 HA SER A 75 24.688 6.366 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 75 24.895 8.566 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 75 26.054 8.406 -3.418 1.00 0.00 H new ATOM 0 HG SER A 75 27.017 9.260 -5.347 1.00 0.00 H new ATOM 1082 N GLY A 76 26.018 5.676 -6.537 1.00 0.00 N ATOM 1083 CA GLY A 76 25.707 5.175 -7.862 1.00 0.00 C ATOM 1084 C GLY A 76 24.652 4.087 -7.837 1.00 0.00 C ATOM 1085 O GLY A 76 24.929 2.995 -7.343 1.00 0.00 O ATOM 0 H GLY A 76 27.014 5.738 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 76 25.361 5.998 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 76 26.615 4.786 -8.322 1.00 0.00 H new TER 1089 GLY A 76 HETATM 1090 ZN ZN A 201 -5.942 2.772 6.527 1.00 0.00 ZN HETATM 1091 ZN ZN A 401 15.486 -0.274 4.090 1.00 0.00 ZN