USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 608 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 16 THR OG1 : rot 15:sc= -1.13! USER MOD Set 1.2: A 20 HIS : no HD1:sc= -2.67! C(o=-3.8!,f=-7.1!) USER MOD Set 1.3: A 67 ASN :FLIP amide:sc=-0.00617 F(o=-4.4,f=-3.8) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.691 K(o=0.26,f=-4.7!) USER MOD Set 2.2: A 45 ASN : amide:sc= -0.432 K(o=0.26,f=-5.1!) USER MOD Set 3.1: A 43 SER OG : rot 180:sc= 0.0154 USER MOD Set 3.2: A 44 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0058) USER MOD Set 4.1: A 23 GLN : amide:sc= -0.625! C(o=-6.3!,f=-8.9!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -5.69! C(o=-6.3!,f=-9.3!) USER MOD Set 5.1: A -1 GLN :FLIP amide:sc= -1.03 F(o=-2.2!,f=-0.054) USER MOD Set 5.2: A -3 THR OG1 : rot 123:sc= 0.977 USER MOD Set 6.1: A 9 TYR OH : rot 153:sc= 0.00734 USER MOD Set 6.2: A 12 ASN : amide:sc= -6.14! C(o=-6.1!,f=-13!) USER MOD Single : A 3 LYS NZ :NH3+ 144:sc= 1.26 (180deg=1.18) USER MOD Single : A 5 THR OG1 : rot 55:sc= 1.32 USER MOD Single : A -2 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 THR N :NH3+ -135:sc= 0.197 (180deg=0.000583) USER MOD Single : A 18 SER OG : rot 71:sc= 1.2 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 28 GLN : amide:sc= 0.764 K(o=0.76,f=-0.4) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.000187 USER MOD Single : A 31 HIS : no HE2:sc= -0.729 K(o=-0.73,f=-1.7) USER MOD Single : A 32 THR OG1 : rot 54:sc= 0.0614 USER MOD Single : A 34 ASN :FLIP amide:sc= 0 F(o=-2.3,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.000743 USER MOD Single : A 40 ASN : amide:sc= 0.587 K(o=0.59,f=-0.41) USER MOD Single : A 49 ASN :FLIP amide:sc= -2.32! C(o=-7!,f=-2.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 2.77 K(o=2.8,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.26 X(o=-1.3,f=-1.5) USER MOD Single : A 65 THR OG1 : rot -71:sc= -0.0453 USER MOD Single : A 66 THR OG1 : rot 134:sc= -2.87! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.718 USER MOD Single : A 76 LYS NZ :NH3+ 170:sc= -0.0235 (180deg=-0.169) USER MOD Single : A 79 SER OG : rot 2:sc= 0.189 USER MOD Single : A 82 SER OG : rot -8:sc= 0.922 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -3 11.165 22.565 -29.428 1.00 0.00 N ATOM 2 CA THR A -3 10.676 23.766 -28.727 1.00 0.00 C ATOM 3 C THR A -3 11.777 24.386 -27.876 1.00 0.00 C ATOM 4 O THR A -3 12.824 23.773 -27.653 1.00 0.00 O ATOM 5 CB THR A -3 9.474 23.423 -27.830 1.00 0.00 C ATOM 6 OG1 THR A -3 9.703 22.170 -27.168 1.00 0.00 O ATOM 7 CG2 THR A -3 8.180 23.354 -28.625 1.00 0.00 C ATOM 0 H1 THR A -3 10.850 22.589 -30.419 1.00 0.00 H new ATOM 0 H2 THR A -3 12.204 22.543 -29.396 1.00 0.00 H new ATOM 0 H3 THR A -3 10.786 21.714 -28.965 1.00 0.00 H new ATOM 0 HA THR A -3 10.365 24.484 -29.486 1.00 0.00 H new ATOM 0 HB THR A -3 9.371 24.219 -27.092 1.00 0.00 H new ATOM 0 HG1 THR A -3 9.643 22.297 -26.198 1.00 0.00 H new ATOM 0 HG21 THR A -3 7.355 23.109 -27.956 1.00 0.00 H new ATOM 0 HG22 THR A -3 7.991 24.318 -29.097 1.00 0.00 H new ATOM 0 HG23 THR A -3 8.265 22.585 -29.393 1.00 0.00 H new ATOM 17 N TYR A -2 11.537 25.602 -27.407 1.00 0.00 N ATOM 18 CA TYR A -2 12.472 26.290 -26.536 1.00 0.00 C ATOM 19 C TYR A -2 11.712 26.904 -25.366 1.00 0.00 C ATOM 20 O TYR A -2 11.354 28.082 -25.383 1.00 0.00 O ATOM 21 CB TYR A -2 13.240 27.367 -27.307 1.00 0.00 C ATOM 22 CG TYR A -2 14.453 27.899 -26.567 1.00 0.00 C ATOM 23 CD1 TYR A -2 14.345 28.956 -25.671 1.00 0.00 C ATOM 24 CD2 TYR A -2 15.709 27.339 -26.769 1.00 0.00 C ATOM 25 CE1 TYR A -2 15.453 29.441 -25.000 1.00 0.00 C ATOM 26 CE2 TYR A -2 16.821 27.818 -26.102 1.00 0.00 C ATOM 27 CZ TYR A -2 16.687 28.869 -25.220 1.00 0.00 C ATOM 28 OH TYR A -2 17.796 29.349 -24.558 1.00 0.00 O ATOM 0 H TYR A -2 10.693 26.135 -27.619 1.00 0.00 H new ATOM 0 HA TYR A -2 13.199 25.573 -26.155 1.00 0.00 H new ATOM 0 HB2 TYR A -2 13.561 26.957 -28.265 1.00 0.00 H new ATOM 0 HB3 TYR A -2 12.566 28.196 -27.525 1.00 0.00 H new ATOM 0 HD1 TYR A -2 13.379 29.406 -25.496 1.00 0.00 H new ATOM 0 HD2 TYR A -2 15.818 26.515 -27.459 1.00 0.00 H new ATOM 0 HE1 TYR A -2 15.351 30.263 -24.307 1.00 0.00 H new ATOM 0 HE2 TYR A -2 17.790 27.371 -26.271 1.00 0.00 H new ATOM 0 HH TYR A -2 18.585 28.834 -24.826 1.00 0.00 H new ATOM 38 N GLN A -1 11.440 26.084 -24.369 1.00 0.00 N ATOM 39 CA GLN A -1 10.712 26.518 -23.195 1.00 0.00 C ATOM 40 C GLN A -1 11.635 26.551 -21.989 1.00 0.00 C ATOM 41 O GLN A -1 12.844 26.351 -22.109 1.00 0.00 O ATOM 42 CB GLN A -1 9.553 25.559 -22.921 1.00 0.00 C ATOM 43 CG GLN A -1 10.017 24.162 -22.557 1.00 0.00 C ATOM 44 CD GLN A -1 10.196 23.280 -23.771 1.00 0.00 C ATOM 45 OE1 GLN A -1 9.306 23.431 -24.736 1.00 0.00 O flip ATOM 46 NE2 GLN A -1 11.094 22.443 -23.822 1.00 0.00 N flip ATOM 0 H GLN A -1 11.717 25.102 -24.351 1.00 0.00 H new ATOM 0 HA GLN A -1 10.322 27.520 -23.375 1.00 0.00 H new ATOM 0 HB2 GLN A -1 8.943 25.957 -22.110 1.00 0.00 H new ATOM 0 HB3 GLN A -1 8.915 25.506 -23.803 1.00 0.00 H new ATOM 0 HG2 GLN A -1 10.960 24.225 -22.015 1.00 0.00 H new ATOM 0 HG3 GLN A -1 9.292 23.705 -21.883 1.00 0.00 H new ATOM 0 HE21 GLN A -1 11.760 22.362 -23.053 1.00 0.00 H new ATOM 0 HE22 GLN A -1 11.174 21.830 -24.633 1.00 0.00 H new ATOM 55 N CYS A 1 11.053 26.791 -20.834 1.00 0.00 N ATOM 56 CA CYS A 1 11.785 26.751 -19.581 1.00 0.00 C ATOM 57 C CYS A 1 10.865 26.271 -18.469 1.00 0.00 C ATOM 58 O CYS A 1 9.647 26.406 -18.562 1.00 0.00 O ATOM 59 CB CYS A 1 12.361 28.127 -19.241 1.00 0.00 C ATOM 60 SG CYS A 1 11.114 29.434 -19.000 1.00 0.00 S ATOM 0 H CYS A 1 10.064 27.019 -20.734 1.00 0.00 H new ATOM 0 HA CYS A 1 12.618 26.056 -19.684 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.959 28.042 -18.334 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.037 28.431 -20.040 1.00 0.00 H new ATOM 65 N LEU A 2 11.441 25.681 -17.438 1.00 0.00 N ATOM 66 CA LEU A 2 10.664 25.166 -16.325 1.00 0.00 C ATOM 67 C LEU A 2 10.155 26.284 -15.420 1.00 0.00 C ATOM 68 O LEU A 2 10.751 27.358 -15.339 1.00 0.00 O ATOM 69 CB LEU A 2 11.514 24.195 -15.517 1.00 0.00 C ATOM 70 CG LEU A 2 10.785 23.466 -14.405 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.618 22.691 -14.980 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.738 22.549 -13.661 1.00 0.00 C ATOM 0 H LEU A 2 12.448 25.546 -17.348 1.00 0.00 H new ATOM 0 HA LEU A 2 9.794 24.651 -16.734 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.937 23.456 -16.197 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.349 24.744 -15.083 1.00 0.00 H new ATOM 0 HG LEU A 2 10.398 24.194 -13.692 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.097 22.169 -14.177 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.930 23.380 -15.471 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.985 21.966 -15.706 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.200 22.033 -12.866 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.153 21.816 -14.353 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.547 23.138 -13.229 1.00 0.00 H new ATOM 84 N LYS A 3 9.044 26.002 -14.745 1.00 0.00 N ATOM 85 CA LYS A 3 8.447 26.914 -13.785 1.00 0.00 C ATOM 86 C LYS A 3 8.609 26.374 -12.367 1.00 0.00 C ATOM 87 O LYS A 3 7.622 26.094 -11.685 1.00 0.00 O ATOM 88 CB LYS A 3 6.955 27.101 -14.083 1.00 0.00 C ATOM 89 CG LYS A 3 6.268 25.851 -14.585 1.00 0.00 C ATOM 90 CD LYS A 3 4.894 25.647 -13.958 1.00 0.00 C ATOM 91 CE LYS A 3 3.985 26.857 -14.124 1.00 0.00 C ATOM 92 NZ LYS A 3 2.655 26.647 -13.482 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.532 25.126 -14.853 1.00 0.00 H new ATOM 0 HA LYS A 3 8.956 27.874 -13.868 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.453 27.440 -13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.839 27.890 -14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.164 25.908 -15.669 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.894 24.985 -14.370 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.419 24.776 -14.410 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.013 25.430 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.464 27.733 -13.688 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.847 27.064 -15.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.323 27.543 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.973 26.319 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.741 25.932 -12.731 1.00 0.00 H new ATOM 106 N GLY A 4 9.848 26.200 -11.936 1.00 0.00 N ATOM 107 CA GLY A 4 10.103 25.716 -10.593 1.00 0.00 C ATOM 108 C GLY A 4 9.731 24.257 -10.426 1.00 0.00 C ATOM 109 O GLY A 4 10.543 23.371 -10.691 1.00 0.00 O ATOM 0 H GLY A 4 10.683 26.385 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.159 25.849 -10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.538 26.316 -9.880 1.00 0.00 H new ATOM 113 N THR A 5 8.501 24.005 -9.995 1.00 0.00 N ATOM 114 CA THR A 5 8.013 22.647 -9.816 1.00 0.00 C ATOM 115 C THR A 5 7.463 22.069 -11.116 1.00 0.00 C ATOM 116 O THR A 5 7.343 20.857 -11.271 1.00 0.00 O ATOM 117 CB THR A 5 6.944 22.586 -8.710 1.00 0.00 C ATOM 118 OG1 THR A 5 6.083 23.731 -8.790 1.00 0.00 O ATOM 119 CG2 THR A 5 7.598 22.534 -7.341 1.00 0.00 C ATOM 0 H THR A 5 7.821 24.729 -9.762 1.00 0.00 H new ATOM 0 HA THR A 5 8.864 22.037 -9.512 1.00 0.00 H new ATOM 0 HB THR A 5 6.353 21.682 -8.854 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.700 23.790 -9.690 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.828 22.491 -6.571 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.229 21.648 -7.273 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.208 23.426 -7.195 1.00 0.00 H new ATOM 127 N GLY A 6 7.134 22.962 -12.046 1.00 0.00 N ATOM 128 CA GLY A 6 6.739 22.558 -13.384 1.00 0.00 C ATOM 129 C GLY A 6 5.458 21.761 -13.428 1.00 0.00 C ATOM 130 O GLY A 6 5.345 20.840 -14.233 1.00 0.00 O ATOM 0 H GLY A 6 7.135 23.970 -11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.623 23.448 -14.003 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.540 21.965 -13.825 1.00 0.00 H new ATOM 134 N GLU A 7 4.496 22.152 -12.593 1.00 0.00 N ATOM 135 CA GLU A 7 3.210 21.460 -12.460 1.00 0.00 C ATOM 136 C GLU A 7 2.666 21.038 -13.821 1.00 0.00 C ATOM 137 O GLU A 7 2.502 19.850 -14.101 1.00 0.00 O ATOM 138 CB GLU A 7 2.183 22.367 -11.780 1.00 0.00 C ATOM 139 CG GLU A 7 2.703 23.074 -10.539 1.00 0.00 C ATOM 140 CD GLU A 7 3.476 24.337 -10.872 1.00 0.00 C ATOM 141 OE1 GLU A 7 2.847 25.391 -11.093 1.00 0.00 O ATOM 142 OE2 GLU A 7 4.722 24.272 -10.945 1.00 0.00 O1- ATOM 0 H GLU A 7 4.586 22.965 -11.984 1.00 0.00 H new ATOM 0 HA GLU A 7 3.380 20.571 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.845 23.116 -12.496 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.312 21.771 -11.507 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.864 23.325 -9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.346 22.394 -9.980 1.00 0.00 H new ATOM 149 N ASN A 8 2.403 22.029 -14.661 1.00 0.00 N ATOM 150 CA ASN A 8 1.917 21.786 -16.010 1.00 0.00 C ATOM 151 C ASN A 8 2.666 22.669 -17.005 1.00 0.00 C ATOM 152 O ASN A 8 2.156 22.978 -18.080 1.00 0.00 O ATOM 153 CB ASN A 8 0.412 22.055 -16.092 1.00 0.00 C ATOM 154 CG ASN A 8 0.061 23.524 -15.916 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.770 24.281 -15.241 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.042 23.933 -16.518 1.00 0.00 N ATOM 0 H ASN A 8 2.519 23.015 -14.429 1.00 0.00 H new ATOM 0 HA ASN A 8 2.096 20.741 -16.262 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.039 21.711 -17.057 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.098 21.471 -15.326 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.337 24.906 -16.435 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.598 23.276 -17.065 1.00 0.00 H new ATOM 163 N TYR A 9 3.903 23.015 -16.615 1.00 0.00 N ATOM 164 CA TYR A 9 4.769 23.984 -17.312 1.00 0.00 C ATOM 165 C TYR A 9 4.396 24.228 -18.786 1.00 0.00 C ATOM 166 O TYR A 9 3.829 25.266 -19.106 1.00 0.00 O ATOM 167 CB TYR A 9 6.253 23.575 -17.169 1.00 0.00 C ATOM 168 CG TYR A 9 6.644 22.259 -17.824 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.864 21.116 -17.687 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.797 22.174 -18.592 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.220 19.932 -18.297 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.157 20.992 -19.207 1.00 0.00 C ATOM 173 CZ TYR A 9 7.367 19.874 -19.056 1.00 0.00 C ATOM 174 OH TYR A 9 7.717 18.699 -19.680 1.00 0.00 O ATOM 0 H TYR A 9 4.342 22.619 -15.784 1.00 0.00 H new ATOM 0 HA TYR A 9 4.605 24.943 -16.820 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.871 24.367 -17.592 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.493 23.516 -16.107 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.963 21.156 -17.092 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.422 23.047 -18.710 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.602 19.054 -18.180 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.055 20.944 -19.805 1.00 0.00 H new ATOM 0 HH TYR A 9 8.248 18.899 -20.479 1.00 0.00 H new ATOM 184 N ARG A 10 4.754 23.312 -19.679 1.00 0.00 N ATOM 185 CA ARG A 10 4.375 23.405 -21.077 1.00 0.00 C ATOM 186 C ARG A 10 3.784 22.089 -21.568 1.00 0.00 C ATOM 187 O ARG A 10 2.709 22.062 -22.161 1.00 0.00 O ATOM 188 CB ARG A 10 5.586 23.783 -21.937 1.00 0.00 C ATOM 189 CG ARG A 10 6.058 25.203 -21.738 1.00 0.00 C ATOM 190 CD ARG A 10 7.001 25.322 -20.570 1.00 0.00 C ATOM 191 NE ARG A 10 7.467 26.700 -20.401 1.00 0.00 N ATOM 192 CZ ARG A 10 7.039 27.525 -19.440 1.00 0.00 C ATOM 193 NH1 ARG A 10 6.062 27.154 -18.627 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.557 28.739 -19.326 1.00 0.00 N ATOM 0 H ARG A 10 5.312 22.489 -19.452 1.00 0.00 H new ATOM 0 HA ARG A 10 3.617 24.183 -21.168 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.407 23.103 -21.710 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.333 23.638 -22.987 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.556 25.551 -22.643 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.198 25.853 -21.578 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.500 24.991 -19.660 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.856 24.663 -20.721 1.00 0.00 H new ATOM 0 HE ARG A 10 8.162 27.053 -21.058 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.632 26.235 -18.732 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.739 27.787 -17.895 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.284 29.046 -19.972 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.229 29.367 -18.592 1.00 0.00 H new ATOM 208 N GLY A 11 4.487 20.999 -21.296 1.00 0.00 N ATOM 209 CA GLY A 11 4.054 19.698 -21.770 1.00 0.00 C ATOM 210 C GLY A 11 4.823 19.280 -23.003 1.00 0.00 C ATOM 211 O GLY A 11 4.244 19.044 -24.059 1.00 0.00 O ATOM 0 H GLY A 11 5.351 20.991 -20.755 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.193 18.957 -20.983 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.988 19.727 -21.996 1.00 0.00 H new ATOM 215 N ASN A 12 6.136 19.195 -22.857 1.00 0.00 N ATOM 216 CA ASN A 12 7.020 18.938 -23.987 1.00 0.00 C ATOM 217 C ASN A 12 7.766 17.617 -23.826 1.00 0.00 C ATOM 218 O ASN A 12 7.483 16.649 -24.533 1.00 0.00 O ATOM 219 CB ASN A 12 8.006 20.100 -24.158 1.00 0.00 C ATOM 220 CG ASN A 12 8.479 20.665 -22.830 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.347 20.105 -22.168 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.935 21.808 -22.447 1.00 0.00 N ATOM 0 H ASN A 12 6.616 19.301 -21.963 1.00 0.00 H new ATOM 0 HA ASN A 12 6.407 18.858 -24.885 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.868 19.759 -24.731 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.531 20.892 -24.737 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.235 22.250 -21.578 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.215 22.248 -23.021 1.00 0.00 H new ATOM 229 N VAL A 13 8.713 17.580 -22.898 1.00 0.00 N ATOM 230 CA VAL A 13 9.519 16.395 -22.663 1.00 0.00 C ATOM 231 C VAL A 13 8.665 15.221 -22.185 1.00 0.00 C ATOM 232 O VAL A 13 7.863 15.357 -21.261 1.00 0.00 O ATOM 233 CB VAL A 13 10.618 16.697 -21.626 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.402 15.445 -21.280 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.546 17.786 -22.140 1.00 0.00 C ATOM 0 H VAL A 13 8.941 18.367 -22.291 1.00 0.00 H new ATOM 0 HA VAL A 13 9.980 16.115 -23.610 1.00 0.00 H new ATOM 0 HB VAL A 13 10.136 17.052 -20.715 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.171 15.688 -20.546 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.727 14.696 -20.864 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.872 15.050 -22.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.317 17.988 -21.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.014 17.457 -23.068 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.973 18.695 -22.325 1.00 0.00 H new ATOM 245 N ALA A 14 8.841 14.075 -22.834 1.00 0.00 N ATOM 246 CA ALA A 14 8.127 12.858 -22.473 1.00 0.00 C ATOM 247 C ALA A 14 9.123 11.743 -22.152 1.00 0.00 C ATOM 248 O ALA A 14 8.856 10.553 -22.350 1.00 0.00 O ATOM 249 CB ALA A 14 7.197 12.453 -23.602 1.00 0.00 C ATOM 0 H ALA A 14 9.480 13.965 -23.621 1.00 0.00 H new ATOM 0 HA ALA A 14 7.525 13.041 -21.583 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.666 11.542 -23.327 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.478 13.251 -23.785 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.779 12.274 -24.506 1.00 0.00 H new ATOM 255 N VAL A 15 10.284 12.150 -21.668 1.00 0.00 N ATOM 256 CA VAL A 15 11.352 11.230 -21.305 1.00 0.00 C ATOM 257 C VAL A 15 11.983 11.713 -20.007 1.00 0.00 C ATOM 258 O VAL A 15 12.101 12.917 -19.787 1.00 0.00 O ATOM 259 CB VAL A 15 12.429 11.150 -22.416 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.585 10.251 -22.005 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.819 10.653 -23.718 1.00 0.00 C ATOM 0 H VAL A 15 10.515 13.132 -21.515 1.00 0.00 H new ATOM 0 HA VAL A 15 10.934 10.231 -21.179 1.00 0.00 H new ATOM 0 HB VAL A 15 12.819 12.156 -22.569 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.322 10.217 -22.807 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.049 10.646 -21.101 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.213 9.245 -21.812 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.591 10.604 -24.486 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.395 9.661 -23.566 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.034 11.338 -24.037 1.00 0.00 H new ATOM 271 N THR A 16 12.366 10.781 -19.148 1.00 0.00 N ATOM 272 CA THR A 16 12.949 11.116 -17.855 1.00 0.00 C ATOM 273 C THR A 16 14.241 11.929 -18.024 1.00 0.00 C ATOM 274 O THR A 16 14.703 12.142 -19.148 1.00 0.00 O ATOM 275 CB THR A 16 13.253 9.829 -17.063 1.00 0.00 C ATOM 276 OG1 THR A 16 14.237 9.060 -17.771 1.00 0.00 O ATOM 277 CG2 THR A 16 11.991 8.995 -16.886 1.00 0.00 C ATOM 0 H THR A 16 12.283 9.780 -19.323 1.00 0.00 H new ATOM 0 HA THR A 16 12.227 11.722 -17.308 1.00 0.00 H new ATOM 0 HB THR A 16 13.630 10.104 -16.078 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.664 9.622 -18.451 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.228 8.091 -16.325 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.245 9.575 -16.343 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.596 8.721 -17.864 1.00 0.00 H new ATOM 285 N VAL A 17 14.827 12.385 -16.924 1.00 0.00 N ATOM 286 CA VAL A 17 16.107 13.076 -16.987 1.00 0.00 C ATOM 287 C VAL A 17 17.175 12.154 -17.586 1.00 0.00 C ATOM 288 O VAL A 17 18.089 12.607 -18.281 1.00 0.00 O ATOM 289 CB VAL A 17 16.535 13.609 -15.596 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.589 12.497 -14.565 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.869 14.332 -15.676 1.00 0.00 C ATOM 0 H VAL A 17 14.440 12.290 -15.985 1.00 0.00 H new ATOM 0 HA VAL A 17 15.996 13.943 -17.638 1.00 0.00 H new ATOM 0 HB VAL A 17 15.777 14.323 -15.274 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.893 12.908 -13.602 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.604 12.041 -14.470 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.310 11.743 -14.881 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.146 14.696 -14.686 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.634 13.645 -16.037 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.785 15.175 -16.362 1.00 0.00 H new ATOM 301 N SER A 18 17.029 10.855 -17.345 1.00 0.00 N ATOM 302 CA SER A 18 17.871 9.860 -17.985 1.00 0.00 C ATOM 303 C SER A 18 17.168 9.338 -19.243 1.00 0.00 C ATOM 304 O SER A 18 16.155 9.891 -19.663 1.00 0.00 O ATOM 305 CB SER A 18 18.141 8.717 -17.010 1.00 0.00 C ATOM 306 OG SER A 18 18.377 9.213 -15.704 1.00 0.00 O ATOM 0 H SER A 18 16.332 10.469 -16.708 1.00 0.00 H new ATOM 0 HA SER A 18 18.823 10.307 -18.271 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.290 8.036 -16.997 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.004 8.142 -17.347 1.00 0.00 H new ATOM 0 HG SER A 18 17.540 9.558 -15.329 1.00 0.00 H new ATOM 312 N GLY A 19 17.675 8.260 -19.823 1.00 0.00 N ATOM 313 CA GLY A 19 17.108 7.752 -21.061 1.00 0.00 C ATOM 314 C GLY A 19 15.956 6.790 -20.836 1.00 0.00 C ATOM 315 O GLY A 19 15.761 5.856 -21.615 1.00 0.00 O ATOM 0 H GLY A 19 18.466 7.727 -19.462 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.761 8.590 -21.666 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.888 7.248 -21.632 1.00 0.00 H new ATOM 319 N HIS A 20 15.189 7.013 -19.773 1.00 0.00 N ATOM 320 CA HIS A 20 14.045 6.160 -19.464 1.00 0.00 C ATOM 321 C HIS A 20 12.784 6.714 -20.121 1.00 0.00 C ATOM 322 O HIS A 20 12.492 7.905 -20.017 1.00 0.00 O ATOM 323 CB HIS A 20 13.830 6.042 -17.948 1.00 0.00 C ATOM 324 CG HIS A 20 15.003 5.477 -17.202 1.00 0.00 C ATOM 325 ND1 HIS A 20 16.058 6.243 -16.768 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.287 4.209 -16.829 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.947 5.471 -16.171 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.505 4.229 -16.192 1.00 0.00 N ATOM 0 H HIS A 20 15.338 7.775 -19.112 1.00 0.00 H new ATOM 0 HA HIS A 20 14.254 5.165 -19.858 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.600 7.029 -17.547 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.959 5.413 -17.764 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.670 3.339 -17.000 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.880 5.801 -15.738 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.986 3.419 -15.801 1.00 0.00 H new ATOM 337 N THR A 21 12.054 5.850 -20.802 1.00 0.00 N ATOM 338 CA THR A 21 10.808 6.234 -21.450 1.00 0.00 C ATOM 339 C THR A 21 9.735 6.553 -20.416 1.00 0.00 C ATOM 340 O THR A 21 9.463 5.741 -19.525 1.00 0.00 O ATOM 341 CB THR A 21 10.310 5.097 -22.370 1.00 0.00 C ATOM 342 OG1 THR A 21 11.217 4.907 -23.463 1.00 0.00 O ATOM 343 CG2 THR A 21 8.907 5.368 -22.900 1.00 0.00 C ATOM 0 H THR A 21 12.303 4.868 -20.923 1.00 0.00 H new ATOM 0 HA THR A 21 11.001 7.126 -22.046 1.00 0.00 H new ATOM 0 HB THR A 21 10.270 4.188 -21.770 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.891 4.183 -24.037 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.595 4.544 -23.542 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.213 5.459 -22.064 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.907 6.295 -23.473 1.00 0.00 H new ATOM 351 N CYS A 22 9.156 7.746 -20.506 1.00 0.00 N ATOM 352 CA CYS A 22 8.026 8.089 -19.660 1.00 0.00 C ATOM 353 C CYS A 22 6.806 7.256 -20.027 1.00 0.00 C ATOM 354 O CYS A 22 6.268 7.365 -21.129 1.00 0.00 O ATOM 355 CB CYS A 22 7.689 9.572 -19.754 1.00 0.00 C ATOM 356 SG CYS A 22 8.869 10.660 -18.897 1.00 0.00 S ATOM 0 H CYS A 22 9.448 8.482 -21.149 1.00 0.00 H new ATOM 0 HA CYS A 22 8.311 7.868 -18.631 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.646 9.858 -20.805 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.694 9.734 -19.339 1.00 0.00 H new ATOM 361 N GLN A 23 6.403 6.393 -19.118 1.00 0.00 N ATOM 362 CA GLN A 23 5.162 5.650 -19.259 1.00 0.00 C ATOM 363 C GLN A 23 3.961 6.598 -19.192 1.00 0.00 C ATOM 364 O GLN A 23 3.912 7.497 -18.347 1.00 0.00 O ATOM 365 CB GLN A 23 5.071 4.593 -18.162 1.00 0.00 C ATOM 366 CG GLN A 23 3.695 3.988 -18.010 1.00 0.00 C ATOM 367 CD GLN A 23 3.243 4.003 -16.573 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.469 3.062 -15.817 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.632 5.099 -16.173 1.00 0.00 N ATOM 0 H GLN A 23 6.921 6.185 -18.264 1.00 0.00 H new ATOM 0 HA GLN A 23 5.151 5.156 -20.230 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.785 3.798 -18.376 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.367 5.041 -17.214 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.983 4.541 -18.623 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.704 2.963 -18.379 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.463 5.858 -16.833 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.328 5.188 -15.204 1.00 0.00 H new ATOM 378 N HIS A 24 3.006 6.380 -20.095 1.00 0.00 N ATOM 379 CA HIS A 24 1.801 7.212 -20.200 1.00 0.00 C ATOM 380 C HIS A 24 1.058 7.312 -18.873 1.00 0.00 C ATOM 381 O HIS A 24 0.970 6.347 -18.114 1.00 0.00 O ATOM 382 CB HIS A 24 0.847 6.645 -21.254 1.00 0.00 C ATOM 383 CG HIS A 24 1.315 6.811 -22.666 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.330 6.064 -23.214 1.00 0.00 N ATOM 385 CD2 HIS A 24 0.894 7.646 -23.646 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.515 6.429 -24.468 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.654 7.388 -24.758 1.00 0.00 N ATOM 0 H HIS A 24 3.043 5.622 -20.776 1.00 0.00 H new ATOM 0 HA HIS A 24 2.133 8.209 -20.490 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.697 5.584 -21.057 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.123 7.130 -21.146 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.105 8.380 -23.566 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.247 6.014 -25.144 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.569 7.858 -25.659 1.00 0.00 H new ATOM 396 N TRP A 25 0.525 8.499 -18.608 1.00 0.00 N ATOM 397 CA TRP A 25 -0.237 8.758 -17.393 1.00 0.00 C ATOM 398 C TRP A 25 -1.546 7.987 -17.391 1.00 0.00 C ATOM 399 O TRP A 25 -2.059 7.624 -16.338 1.00 0.00 O ATOM 400 CB TRP A 25 -0.524 10.249 -17.240 1.00 0.00 C ATOM 401 CG TRP A 25 0.704 11.094 -17.146 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.176 11.958 -18.088 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.619 11.158 -16.046 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.320 12.560 -17.637 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.618 12.083 -16.391 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.687 10.525 -14.804 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.676 12.388 -15.540 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.738 10.830 -13.959 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.721 11.753 -14.331 1.00 0.00 C ATOM 0 H TRP A 25 0.608 9.306 -19.227 1.00 0.00 H new ATOM 0 HA TRP A 25 0.369 8.422 -16.551 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.120 10.584 -18.089 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.129 10.403 -16.346 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.716 12.141 -19.048 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.864 13.254 -18.149 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.933 9.810 -14.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.435 13.102 -15.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.801 10.347 -12.995 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.531 11.968 -13.650 1.00 0.00 H new ATOM 420 N SER A 26 -2.093 7.756 -18.570 1.00 0.00 N ATOM 421 CA SER A 26 -3.322 6.996 -18.699 1.00 0.00 C ATOM 422 C SER A 26 -3.041 5.505 -18.540 1.00 0.00 C ATOM 423 O SER A 26 -3.935 4.712 -18.242 1.00 0.00 O ATOM 424 CB SER A 26 -3.953 7.289 -20.058 1.00 0.00 C ATOM 425 OG SER A 26 -3.004 7.118 -21.098 1.00 0.00 O ATOM 0 H SER A 26 -1.704 8.085 -19.454 1.00 0.00 H new ATOM 0 HA SER A 26 -4.018 7.291 -17.914 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.802 6.625 -20.221 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.338 8.309 -20.074 1.00 0.00 H new ATOM 0 HG SER A 26 -3.427 7.308 -21.961 1.00 0.00 H new ATOM 431 N ALA A 27 -1.779 5.141 -18.720 1.00 0.00 N ATOM 432 CA ALA A 27 -1.353 3.756 -18.645 1.00 0.00 C ATOM 433 C ALA A 27 -1.086 3.359 -17.209 1.00 0.00 C ATOM 434 O ALA A 27 -0.252 3.956 -16.537 1.00 0.00 O ATOM 435 CB ALA A 27 -0.106 3.538 -19.488 1.00 0.00 C ATOM 0 H ALA A 27 -1.025 5.798 -18.922 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.155 3.130 -19.036 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.201 2.494 -19.421 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.321 3.787 -20.527 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.698 4.176 -19.121 1.00 0.00 H new ATOM 441 N GLN A 28 -1.802 2.359 -16.740 1.00 0.00 N ATOM 442 CA GLN A 28 -1.579 1.812 -15.411 1.00 0.00 C ATOM 443 C GLN A 28 -0.608 0.643 -15.495 1.00 0.00 C ATOM 444 O GLN A 28 -0.536 -0.205 -14.609 1.00 0.00 O ATOM 445 CB GLN A 28 -2.904 1.377 -14.792 1.00 0.00 C ATOM 446 CG GLN A 28 -3.814 2.542 -14.438 1.00 0.00 C ATOM 447 CD GLN A 28 -3.433 3.173 -13.128 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.961 2.817 -12.075 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.482 4.086 -13.176 1.00 0.00 N ATOM 0 H GLN A 28 -2.550 1.903 -17.262 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.144 2.580 -14.772 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.423 0.718 -15.488 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.703 0.796 -13.892 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.769 3.291 -15.228 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.846 2.194 -14.387 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.073 4.350 -14.072 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.156 4.528 -12.317 1.00 0.00 H new ATOM 458 N THR A 29 0.121 0.615 -16.593 1.00 0.00 N ATOM 459 CA THR A 29 1.150 -0.372 -16.843 1.00 0.00 C ATOM 460 C THR A 29 2.259 0.305 -17.648 1.00 0.00 C ATOM 461 O THR A 29 1.959 1.123 -18.517 1.00 0.00 O ATOM 462 CB THR A 29 0.567 -1.574 -17.625 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.558 -2.108 -16.916 1.00 0.00 O ATOM 464 CG2 THR A 29 1.602 -2.671 -17.828 1.00 0.00 C ATOM 0 H THR A 29 0.012 1.290 -17.350 1.00 0.00 H new ATOM 0 HA THR A 29 1.546 -0.753 -15.902 1.00 0.00 H new ATOM 0 HB THR A 29 0.259 -1.215 -18.607 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.927 -2.868 -17.413 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.154 -3.497 -18.381 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.447 -2.274 -18.391 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.948 -3.029 -16.858 1.00 0.00 H new ATOM 472 N PRO A 30 3.547 0.012 -17.388 1.00 0.00 N ATOM 473 CA PRO A 30 3.998 -0.995 -16.409 1.00 0.00 C ATOM 474 C PRO A 30 3.621 -0.695 -14.953 1.00 0.00 C ATOM 475 O PRO A 30 3.237 -1.598 -14.213 1.00 0.00 O ATOM 476 CB PRO A 30 5.526 -0.988 -16.566 1.00 0.00 C ATOM 477 CG PRO A 30 5.855 0.312 -17.224 1.00 0.00 C ATOM 478 CD PRO A 30 4.677 0.651 -18.081 1.00 0.00 C ATOM 0 HA PRO A 30 3.517 -1.953 -16.608 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.020 -1.074 -15.598 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.862 -1.830 -17.171 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.034 1.090 -16.482 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.762 0.227 -17.823 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.539 1.729 -18.163 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.795 0.266 -19.094 1.00 0.00 H new ATOM 486 N HIS A 31 3.723 0.563 -14.544 1.00 0.00 N ATOM 487 CA HIS A 31 3.553 0.918 -13.134 1.00 0.00 C ATOM 488 C HIS A 31 2.098 1.264 -12.793 1.00 0.00 C ATOM 489 O HIS A 31 1.479 2.104 -13.447 1.00 0.00 O ATOM 490 CB HIS A 31 4.485 2.079 -12.760 1.00 0.00 C ATOM 491 CG HIS A 31 5.922 1.667 -12.618 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.893 1.959 -13.557 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.554 0.991 -11.630 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.055 1.479 -13.150 1.00 0.00 C ATOM 495 NE2 HIS A 31 7.875 0.890 -11.986 1.00 0.00 N ATOM 0 H HIS A 31 3.921 1.352 -15.160 1.00 0.00 H new ATOM 0 HA HIS A 31 3.820 0.041 -12.544 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.411 2.855 -13.522 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.146 2.520 -11.822 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.737 2.466 -14.428 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.102 0.603 -10.729 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.992 1.557 -13.681 1.00 0.00 H new ATOM 504 N THR A 32 1.572 0.623 -11.749 1.00 0.00 N ATOM 505 CA THR A 32 0.198 0.848 -11.297 1.00 0.00 C ATOM 506 C THR A 32 0.114 2.075 -10.386 1.00 0.00 C ATOM 507 O THR A 32 0.035 1.971 -9.162 1.00 0.00 O ATOM 508 CB THR A 32 -0.353 -0.390 -10.558 1.00 0.00 C ATOM 509 OG1 THR A 32 0.617 -0.876 -9.617 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.710 -1.497 -11.538 1.00 0.00 C ATOM 0 H THR A 32 2.083 -0.064 -11.195 1.00 0.00 H new ATOM 0 HA THR A 32 -0.412 1.026 -12.183 1.00 0.00 H new ATOM 0 HB THR A 32 -1.257 -0.091 -10.028 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.896 -0.145 -9.027 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.096 -2.357 -10.991 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.470 -1.138 -12.232 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.180 -1.791 -12.095 1.00 0.00 H new ATOM 518 N HIS A 33 0.138 3.239 -11.009 1.00 0.00 N ATOM 519 CA HIS A 33 0.208 4.514 -10.291 1.00 0.00 C ATOM 520 C HIS A 33 -1.178 5.108 -10.054 1.00 0.00 C ATOM 521 O HIS A 33 -2.129 4.738 -10.716 1.00 0.00 O ATOM 522 CB HIS A 33 1.075 5.499 -11.077 1.00 0.00 C ATOM 523 CG HIS A 33 0.625 5.710 -12.486 1.00 0.00 C ATOM 524 ND1 HIS A 33 -0.081 6.816 -12.900 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.802 4.950 -13.587 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.318 6.721 -14.191 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.209 5.602 -14.630 1.00 0.00 N ATOM 0 H HIS A 33 0.110 3.335 -12.024 1.00 0.00 H new ATOM 0 HA HIS A 33 0.655 4.327 -9.315 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.078 6.458 -10.559 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.103 5.137 -11.085 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.317 4.002 -13.634 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.856 7.442 -14.789 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.180 5.272 -15.595 1.00 0.00 H new ATOM 536 N ASN A 34 -1.292 6.041 -9.118 1.00 0.00 N ATOM 537 CA ASN A 34 -2.556 6.752 -8.920 1.00 0.00 C ATOM 538 C ASN A 34 -2.489 8.163 -9.482 1.00 0.00 C ATOM 539 O ASN A 34 -3.424 8.943 -9.331 1.00 0.00 O ATOM 540 CB ASN A 34 -2.969 6.810 -7.451 1.00 0.00 C ATOM 541 CG ASN A 34 -3.544 5.502 -6.926 1.00 0.00 C ATOM 542 OD1 ASN A 34 -3.100 4.378 -7.469 1.00 0.00 O flip ATOM 543 ND2 ASN A 34 -4.390 5.506 -6.032 1.00 0.00 N flip ATOM 0 H ASN A 34 -0.539 6.323 -8.490 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.311 6.183 -9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.102 7.083 -6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.709 7.600 -7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.710 6.390 -5.636 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.771 4.625 -5.687 1.00 0.00 H new ATOM 550 N ARG A 36 -1.373 8.507 -10.112 1.00 0.00 N ATOM 551 CA ARG A 36 -1.285 9.783 -10.811 1.00 0.00 C ATOM 552 C ARG A 36 -1.740 9.621 -12.252 1.00 0.00 C ATOM 553 O ARG A 36 -0.921 9.448 -13.150 1.00 0.00 O ATOM 554 CB ARG A 36 0.136 10.376 -10.774 1.00 0.00 C ATOM 555 CG ARG A 36 0.532 11.013 -9.447 1.00 0.00 C ATOM 556 CD ARG A 36 0.780 9.967 -8.379 1.00 0.00 C ATOM 557 NE ARG A 36 1.013 10.551 -7.059 1.00 0.00 N ATOM 558 CZ ARG A 36 0.163 10.459 -6.032 1.00 0.00 C ATOM 559 NH1 ARG A 36 -1.026 9.882 -6.182 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.505 10.950 -4.853 1.00 0.00 N ATOM 0 H ARG A 36 -0.531 7.933 -10.154 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.942 10.480 -10.292 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.850 9.586 -11.008 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.221 11.126 -11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.431 11.614 -9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.256 11.690 -9.118 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.077 9.295 -8.328 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.642 9.363 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 36 1.883 11.063 -6.912 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.298 9.503 -7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.665 9.818 -5.390 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.414 11.396 -4.731 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.140 10.882 -4.066 1.00 0.00 H new ATOM 574 N THR A 37 -3.045 9.652 -12.452 1.00 0.00 N ATOM 575 CA THR A 37 -3.631 9.519 -13.775 1.00 0.00 C ATOM 576 C THR A 37 -4.425 10.776 -14.103 1.00 0.00 C ATOM 577 O THR A 37 -4.833 11.484 -13.185 1.00 0.00 O ATOM 578 CB THR A 37 -4.550 8.277 -13.857 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.541 8.335 -12.827 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.736 6.997 -13.707 1.00 0.00 C ATOM 0 H THR A 37 -3.728 9.770 -11.704 1.00 0.00 H new ATOM 0 HA THR A 37 -2.827 9.390 -14.500 1.00 0.00 H new ATOM 0 HB THR A 37 -5.037 8.273 -14.832 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.120 7.547 -12.886 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.400 6.135 -13.767 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.995 6.941 -14.505 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.230 6.999 -12.742 1.00 0.00 H new ATOM 588 N PRO A 38 -4.603 11.114 -15.390 1.00 0.00 N ATOM 589 CA PRO A 38 -5.347 12.308 -15.793 1.00 0.00 C ATOM 590 C PRO A 38 -6.689 12.429 -15.070 1.00 0.00 C ATOM 591 O PRO A 38 -7.061 13.510 -14.612 1.00 0.00 O ATOM 592 CB PRO A 38 -5.555 12.131 -17.305 1.00 0.00 C ATOM 593 CG PRO A 38 -4.932 10.824 -17.678 1.00 0.00 C ATOM 594 CD PRO A 38 -4.059 10.396 -16.542 1.00 0.00 C ATOM 0 HA PRO A 38 -4.807 13.220 -15.540 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.617 12.138 -17.552 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.094 12.950 -17.857 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.700 10.076 -17.873 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.347 10.926 -18.592 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.096 9.317 -16.394 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.016 10.657 -16.719 1.00 0.00 H new ATOM 602 N GLU A 39 -7.375 11.300 -14.921 1.00 0.00 N ATOM 603 CA GLU A 39 -8.679 11.257 -14.261 1.00 0.00 C ATOM 604 C GLU A 39 -8.562 11.535 -12.759 1.00 0.00 C ATOM 605 O GLU A 39 -9.544 11.891 -12.103 1.00 0.00 O ATOM 606 CB GLU A 39 -9.317 9.888 -14.492 1.00 0.00 C ATOM 607 CG GLU A 39 -9.668 9.627 -15.947 1.00 0.00 C ATOM 608 CD GLU A 39 -10.212 8.233 -16.179 1.00 0.00 C ATOM 609 OE1 GLU A 39 -11.443 8.039 -16.077 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.411 7.326 -16.480 1.00 0.00 O1- ATOM 0 H GLU A 39 -7.046 10.393 -15.252 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.306 12.038 -14.691 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.633 9.113 -14.146 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.221 9.809 -13.888 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.406 10.359 -16.275 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.780 9.772 -16.562 1.00 0.00 H new ATOM 617 N ASN A 40 -7.354 11.385 -12.231 1.00 0.00 N ATOM 618 CA ASN A 40 -7.092 11.580 -10.806 1.00 0.00 C ATOM 619 C ASN A 40 -6.505 12.954 -10.535 1.00 0.00 C ATOM 620 O ASN A 40 -6.620 13.488 -9.430 1.00 0.00 O ATOM 621 CB ASN A 40 -6.128 10.501 -10.290 1.00 0.00 C ATOM 622 CG ASN A 40 -6.835 9.264 -9.763 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.958 8.951 -10.158 1.00 0.00 O ATOM 624 ND2 ASN A 40 -6.168 8.538 -8.872 1.00 0.00 N ATOM 0 H ASN A 40 -6.530 11.126 -12.773 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.044 11.501 -10.281 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.455 10.210 -11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.512 10.924 -9.497 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.585 7.689 -8.491 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.239 8.830 -8.569 1.00 0.00 H new ATOM 631 N PHE A 41 -5.877 13.521 -11.548 1.00 0.00 N ATOM 632 CA PHE A 41 -5.237 14.820 -11.428 1.00 0.00 C ATOM 633 C PHE A 41 -5.506 15.659 -12.673 1.00 0.00 C ATOM 634 O PHE A 41 -4.588 15.968 -13.439 1.00 0.00 O ATOM 635 CB PHE A 41 -3.727 14.654 -11.224 1.00 0.00 C ATOM 636 CG PHE A 41 -3.350 14.029 -9.910 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.127 14.818 -8.794 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.219 12.654 -9.792 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.778 14.249 -7.585 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.871 12.080 -8.585 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.652 12.879 -7.481 1.00 0.00 C ATOM 0 H PHE A 41 -5.796 13.098 -12.473 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.654 15.332 -10.561 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.327 14.043 -12.033 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.252 15.632 -11.299 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.227 15.891 -8.870 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.391 12.025 -10.653 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.604 14.875 -6.723 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.770 11.008 -8.505 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.382 12.432 -6.536 1.00 0.00 H new ATOM 651 N PRO A 42 -6.772 16.044 -12.896 1.00 0.00 N ATOM 652 CA PRO A 42 -7.170 16.806 -14.084 1.00 0.00 C ATOM 653 C PRO A 42 -6.525 18.191 -14.133 1.00 0.00 C ATOM 654 O PRO A 42 -6.297 18.745 -15.206 1.00 0.00 O ATOM 655 CB PRO A 42 -8.694 16.929 -13.955 1.00 0.00 C ATOM 656 CG PRO A 42 -9.089 15.896 -12.956 1.00 0.00 C ATOM 657 CD PRO A 42 -7.923 15.761 -12.022 1.00 0.00 C ATOM 0 HA PRO A 42 -6.851 16.310 -15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.981 17.927 -13.624 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.185 16.758 -14.913 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.988 16.197 -12.418 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.312 14.947 -13.443 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.985 16.466 -11.193 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.866 14.763 -11.588 1.00 0.00 H new ATOM 665 N SER A 43 -6.210 18.730 -12.964 1.00 0.00 N ATOM 666 CA SER A 43 -5.624 20.061 -12.859 1.00 0.00 C ATOM 667 C SER A 43 -4.104 20.014 -13.014 1.00 0.00 C ATOM 668 O SER A 43 -3.426 21.043 -12.954 1.00 0.00 O ATOM 669 CB SER A 43 -5.995 20.660 -11.508 1.00 0.00 C ATOM 670 OG SER A 43 -5.647 19.771 -10.463 1.00 0.00 O ATOM 0 H SER A 43 -6.351 18.263 -12.068 1.00 0.00 H new ATOM 0 HA SER A 43 -6.018 20.682 -13.664 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.481 21.611 -11.371 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.065 20.868 -11.476 1.00 0.00 H new ATOM 0 HG SER A 43 -5.889 20.169 -9.601 1.00 0.00 H new ATOM 676 N LYS A 44 -3.575 18.816 -13.217 1.00 0.00 N ATOM 677 CA LYS A 44 -2.139 18.632 -13.346 1.00 0.00 C ATOM 678 C LYS A 44 -1.776 18.379 -14.799 1.00 0.00 C ATOM 679 O LYS A 44 -0.607 18.397 -15.186 1.00 0.00 O ATOM 680 CB LYS A 44 -1.668 17.470 -12.474 1.00 0.00 C ATOM 681 CG LYS A 44 -1.956 17.661 -10.991 1.00 0.00 C ATOM 682 CD LYS A 44 -1.193 18.843 -10.420 1.00 0.00 C ATOM 683 CE LYS A 44 -1.339 18.929 -8.905 1.00 0.00 C ATOM 684 NZ LYS A 44 -2.744 19.179 -8.476 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.120 17.957 -13.296 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.639 19.540 -13.009 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.151 16.554 -12.814 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.595 17.335 -12.612 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.025 17.813 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.685 16.756 -10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.138 18.755 -10.680 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.557 19.765 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.986 18.000 -8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.701 19.728 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.781 19.262 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.087 20.061 -8.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.346 18.388 -8.781 1.00 0.00 H new ATOM 698 N ASN A 45 -2.825 18.123 -15.579 1.00 0.00 N ATOM 699 CA ASN A 45 -2.745 18.001 -17.033 1.00 0.00 C ATOM 700 C ASN A 45 -1.882 16.817 -17.451 1.00 0.00 C ATOM 701 O ASN A 45 -0.876 16.972 -18.131 1.00 0.00 O ATOM 702 CB ASN A 45 -2.224 19.302 -17.661 1.00 0.00 C ATOM 703 CG ASN A 45 -3.075 20.509 -17.301 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.598 21.644 -17.300 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.333 20.274 -16.959 1.00 0.00 N ATOM 0 H ASN A 45 -3.768 17.993 -15.213 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.754 17.819 -17.403 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.199 19.474 -17.332 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.197 19.192 -18.745 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.939 21.046 -16.683 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.695 19.321 -16.971 1.00 0.00 H new ATOM 712 N LEU A 46 -2.311 15.625 -17.075 1.00 0.00 N ATOM 713 CA LEU A 46 -1.563 14.404 -17.361 1.00 0.00 C ATOM 714 C LEU A 46 -1.769 13.966 -18.804 1.00 0.00 C ATOM 715 O LEU A 46 -2.431 12.968 -19.087 1.00 0.00 O ATOM 716 CB LEU A 46 -1.981 13.307 -16.378 1.00 0.00 C ATOM 717 CG LEU A 46 -1.072 13.139 -15.147 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.231 14.380 -14.896 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.893 12.818 -13.906 1.00 0.00 C ATOM 0 H LEU A 46 -3.181 15.472 -16.566 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.498 14.598 -17.234 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.994 13.518 -16.034 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.017 12.358 -16.913 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.401 12.307 -15.358 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.397 14.223 -14.019 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.399 14.574 -15.764 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.886 15.235 -14.725 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.228 12.704 -13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.596 13.629 -13.715 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.444 11.891 -14.064 1.00 0.00 H new ATOM 731 N ASP A 47 -1.186 14.742 -19.708 1.00 0.00 N ATOM 732 CA ASP A 47 -1.271 14.494 -21.136 1.00 0.00 C ATOM 733 C ASP A 47 -0.237 13.472 -21.569 1.00 0.00 C ATOM 734 O ASP A 47 0.959 13.643 -21.309 1.00 0.00 O ATOM 735 CB ASP A 47 -1.021 15.786 -21.912 1.00 0.00 C ATOM 736 CG ASP A 47 -2.046 16.863 -21.648 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.234 16.660 -21.971 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.656 17.940 -21.143 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.637 15.567 -19.466 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.271 14.115 -21.346 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.033 16.167 -21.656 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.009 15.562 -22.979 1.00 0.00 H new ATOM 743 N GLU A 48 -0.702 12.424 -22.238 1.00 0.00 N ATOM 744 CA GLU A 48 0.164 11.403 -22.818 1.00 0.00 C ATOM 745 C GLU A 48 1.129 10.808 -21.806 1.00 0.00 C ATOM 746 O GLU A 48 0.774 9.939 -21.013 1.00 0.00 O ATOM 747 CB GLU A 48 0.965 11.966 -23.994 1.00 0.00 C ATOM 748 CG GLU A 48 0.142 12.219 -25.239 1.00 0.00 C ATOM 749 CD GLU A 48 -0.517 10.954 -25.746 1.00 0.00 C ATOM 750 OE1 GLU A 48 0.209 10.033 -26.171 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.762 10.866 -25.692 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.696 12.257 -22.395 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.499 10.610 -23.164 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.434 12.900 -23.686 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.769 11.271 -24.238 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.623 12.965 -25.023 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.781 12.633 -26.019 1.00 0.00 H new ATOM 758 N ASN A 49 2.356 11.300 -21.852 1.00 0.00 N ATOM 759 CA ASN A 49 3.436 10.800 -21.018 1.00 0.00 C ATOM 760 C ASN A 49 4.425 11.920 -20.735 1.00 0.00 C ATOM 761 O ASN A 49 5.551 11.680 -20.314 1.00 0.00 O ATOM 762 CB ASN A 49 4.145 9.604 -21.683 1.00 0.00 C ATOM 763 CG ASN A 49 4.804 9.915 -23.027 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.147 10.703 -23.866 1.00 0.00 O flip ATOM 765 ND2 ASN A 49 5.877 9.401 -23.333 1.00 0.00 N flip ATOM 0 H ASN A 49 2.632 12.061 -22.472 1.00 0.00 H new ATOM 0 HA ASN A 49 3.014 10.450 -20.076 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.906 9.225 -21.000 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.419 8.804 -21.827 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.362 8.798 -22.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.283 9.577 -24.252 1.00 0.00 H new ATOM 772 N TYR A 50 3.981 13.148 -20.982 1.00 0.00 N ATOM 773 CA TYR A 50 4.799 14.333 -20.743 1.00 0.00 C ATOM 774 C TYR A 50 5.184 14.425 -19.274 1.00 0.00 C ATOM 775 O TYR A 50 4.388 14.081 -18.403 1.00 0.00 O ATOM 776 CB TYR A 50 4.038 15.604 -21.124 1.00 0.00 C ATOM 777 CG TYR A 50 3.391 15.582 -22.494 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.784 14.671 -23.467 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.385 16.486 -22.810 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.192 14.663 -24.716 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.788 16.482 -24.055 1.00 0.00 C ATOM 782 CZ TYR A 50 2.195 15.571 -25.004 1.00 0.00 C ATOM 783 OH TYR A 50 1.602 15.563 -26.244 1.00 0.00 O ATOM 0 H TYR A 50 3.052 13.350 -21.351 1.00 0.00 H new ATOM 0 HA TYR A 50 5.695 14.244 -21.358 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.264 15.783 -20.377 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.726 16.448 -21.078 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.564 13.958 -23.244 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.064 17.204 -22.070 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.509 13.949 -25.462 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.005 17.190 -24.284 1.00 0.00 H new ATOM 0 HH TYR A 50 0.919 16.264 -26.284 1.00 0.00 H new ATOM 793 N CYS A 51 6.395 14.890 -19.009 1.00 0.00 N ATOM 794 CA CYS A 51 6.862 15.084 -17.638 1.00 0.00 C ATOM 795 C CYS A 51 6.032 16.137 -16.908 1.00 0.00 C ATOM 796 O CYS A 51 6.360 17.321 -16.924 1.00 0.00 O ATOM 797 CB CYS A 51 8.324 15.517 -17.625 1.00 0.00 C ATOM 798 SG CYS A 51 9.498 14.280 -18.256 1.00 0.00 S ATOM 0 H CYS A 51 7.077 15.142 -19.725 1.00 0.00 H new ATOM 0 HA CYS A 51 6.753 14.128 -17.125 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.423 16.426 -18.218 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.603 15.772 -16.603 1.00 0.00 H new ATOM 803 N ARG A 52 4.953 15.705 -16.281 1.00 0.00 N ATOM 804 CA ARG A 52 4.124 16.596 -15.487 1.00 0.00 C ATOM 805 C ARG A 52 4.532 16.512 -14.023 1.00 0.00 C ATOM 806 O ARG A 52 5.415 15.737 -13.665 1.00 0.00 O ATOM 807 CB ARG A 52 2.653 16.225 -15.641 1.00 0.00 C ATOM 808 CG ARG A 52 2.105 16.420 -17.050 1.00 0.00 C ATOM 809 CD ARG A 52 2.247 17.860 -17.533 1.00 0.00 C ATOM 810 NE ARG A 52 1.379 18.129 -18.681 1.00 0.00 N ATOM 811 CZ ARG A 52 1.308 19.294 -19.319 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.135 20.275 -19.002 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.404 19.474 -20.277 1.00 0.00 N ATOM 0 H ARG A 52 4.629 14.738 -16.306 1.00 0.00 H new ATOM 0 HA ARG A 52 4.265 17.618 -15.839 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.520 15.182 -15.353 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.064 16.825 -14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.630 15.756 -17.737 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.053 16.134 -17.071 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.000 18.543 -16.721 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.284 18.052 -17.807 1.00 0.00 H new ATOM 0 HE ARG A 52 0.787 17.369 -19.015 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.829 20.139 -18.267 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.079 21.168 -19.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.236 18.719 -20.523 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.350 20.368 -20.766 1.00 0.00 H new ATOM 827 N ASN A 53 3.900 17.307 -13.177 1.00 0.00 N ATOM 828 CA ASN A 53 4.132 17.206 -11.744 1.00 0.00 C ATOM 829 C ASN A 53 2.792 17.070 -11.011 1.00 0.00 C ATOM 830 O ASN A 53 2.358 17.987 -10.315 1.00 0.00 O ATOM 831 CB ASN A 53 4.903 18.432 -11.233 1.00 0.00 C ATOM 832 CG ASN A 53 5.417 18.264 -9.814 1.00 0.00 C ATOM 833 OD1 ASN A 53 5.009 17.353 -9.092 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.302 19.160 -9.396 1.00 0.00 N ATOM 0 H ASN A 53 3.228 18.023 -13.452 1.00 0.00 H new ATOM 0 HA ASN A 53 4.736 16.320 -11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.745 18.627 -11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.253 19.306 -11.277 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.669 19.109 -8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.615 19.900 -10.025 1.00 0.00 H new ATOM 841 N PRO A 54 2.101 15.922 -11.179 1.00 0.00 N ATOM 842 CA PRO A 54 0.804 15.688 -10.540 1.00 0.00 C ATOM 843 C PRO A 54 0.919 15.459 -9.034 1.00 0.00 C ATOM 844 O PRO A 54 0.108 15.958 -8.259 1.00 0.00 O ATOM 845 CB PRO A 54 0.275 14.434 -11.241 1.00 0.00 C ATOM 846 CG PRO A 54 1.483 13.726 -11.755 1.00 0.00 C ATOM 847 CD PRO A 54 2.518 14.785 -12.024 1.00 0.00 C ATOM 0 HA PRO A 54 0.147 16.552 -10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.285 13.804 -10.549 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.403 14.695 -12.054 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.848 13.003 -11.026 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.250 13.172 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.518 14.440 -11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.542 15.060 -13.078 1.00 0.00 H new ATOM 855 N ASP A 55 1.930 14.694 -8.635 1.00 0.00 N ATOM 856 CA ASP A 55 2.162 14.387 -7.226 1.00 0.00 C ATOM 857 C ASP A 55 2.479 15.648 -6.429 1.00 0.00 C ATOM 858 O ASP A 55 1.917 15.880 -5.358 1.00 0.00 O ATOM 859 CB ASP A 55 3.313 13.390 -7.085 1.00 0.00 C ATOM 860 CG ASP A 55 3.486 12.891 -5.666 1.00 0.00 C ATOM 861 OD1 ASP A 55 4.144 13.573 -4.861 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 2.967 11.800 -5.360 1.00 0.00 O1- ATOM 0 H ASP A 55 2.606 14.272 -9.272 1.00 0.00 H new ATOM 0 HA ASP A 55 1.248 13.948 -6.827 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.135 12.541 -7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.239 13.862 -7.415 1.00 0.00 H new ATOM 867 N GLY A 56 3.360 16.471 -6.977 1.00 0.00 N ATOM 868 CA GLY A 56 3.789 17.667 -6.288 1.00 0.00 C ATOM 869 C GLY A 56 5.197 17.532 -5.752 1.00 0.00 C ATOM 870 O GLY A 56 5.439 17.709 -4.558 1.00 0.00 O ATOM 0 H GLY A 56 3.787 16.329 -7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.739 18.517 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.106 17.878 -5.465 1.00 0.00 H new ATOM 874 N LYS A 57 6.122 17.212 -6.643 1.00 0.00 N ATOM 875 CA LYS A 57 7.522 17.084 -6.284 1.00 0.00 C ATOM 876 C LYS A 57 8.214 18.425 -6.500 1.00 0.00 C ATOM 877 O LYS A 57 7.543 19.445 -6.654 1.00 0.00 O ATOM 878 CB LYS A 57 8.208 16.001 -7.125 1.00 0.00 C ATOM 879 CG LYS A 57 7.417 14.704 -7.250 1.00 0.00 C ATOM 880 CD LYS A 57 7.128 14.057 -5.904 1.00 0.00 C ATOM 881 CE LYS A 57 8.396 13.623 -5.190 1.00 0.00 C ATOM 882 NZ LYS A 57 8.094 12.782 -4.002 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.924 17.035 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 57 7.593 16.792 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.393 16.397 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.180 15.778 -6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.475 14.906 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.973 14.003 -7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.582 14.760 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.482 13.192 -6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.030 13.066 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.959 14.503 -4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.983 12.504 -3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.510 13.323 -3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.578 11.930 -4.302 1.00 0.00 H new ATOM 896 N ARG A 59 9.539 18.433 -6.540 1.00 0.00 N ATOM 897 CA ARG A 59 10.272 19.676 -6.736 1.00 0.00 C ATOM 898 C ARG A 59 10.334 20.049 -8.215 1.00 0.00 C ATOM 899 O ARG A 59 10.569 21.205 -8.560 1.00 0.00 O ATOM 900 CB ARG A 59 11.689 19.552 -6.174 1.00 0.00 C ATOM 901 CG ARG A 59 12.553 18.560 -6.932 1.00 0.00 C ATOM 902 CD ARG A 59 13.902 18.360 -6.258 1.00 0.00 C ATOM 903 NE ARG A 59 14.777 17.488 -7.044 1.00 0.00 N ATOM 904 CZ ARG A 59 15.792 16.786 -6.538 1.00 0.00 C ATOM 905 NH1 ARG A 59 16.145 16.938 -5.264 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.488 15.971 -7.323 1.00 0.00 N ATOM 0 H ARG A 59 10.123 17.603 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 59 9.742 20.465 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.168 20.531 -6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.632 19.249 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.035 17.604 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.704 18.914 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.385 19.327 -6.116 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.754 17.929 -5.268 1.00 0.00 H new ATOM 0 HE ARG A 59 14.598 17.412 -8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.639 17.594 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.922 16.399 -4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.246 15.883 -8.310 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.265 15.433 -6.939 1.00 0.00 H new ATOM 920 N ALA A 60 10.111 19.068 -9.080 1.00 0.00 N ATOM 921 CA ALA A 60 10.227 19.273 -10.517 1.00 0.00 C ATOM 922 C ALA A 60 9.381 18.252 -11.277 1.00 0.00 C ATOM 923 O ALA A 60 8.886 17.296 -10.676 1.00 0.00 O ATOM 924 CB ALA A 60 11.689 19.174 -10.936 1.00 0.00 C ATOM 0 H ALA A 60 9.848 18.120 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 60 9.856 20.268 -10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.770 19.328 -12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.269 19.936 -10.415 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.075 18.187 -10.681 1.00 0.00 H new ATOM 930 N PRO A 61 9.181 18.463 -12.598 1.00 0.00 N ATOM 931 CA PRO A 61 8.479 17.513 -13.470 1.00 0.00 C ATOM 932 C PRO A 61 9.030 16.103 -13.347 1.00 0.00 C ATOM 933 O PRO A 61 10.246 15.902 -13.256 1.00 0.00 O ATOM 934 CB PRO A 61 8.746 18.061 -14.872 1.00 0.00 C ATOM 935 CG PRO A 61 8.891 19.515 -14.662 1.00 0.00 C ATOM 936 CD PRO A 61 9.600 19.661 -13.346 1.00 0.00 C ATOM 0 HA PRO A 61 7.422 17.433 -13.218 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.647 17.628 -15.305 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.925 17.835 -15.552 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.463 19.973 -15.469 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.919 20.007 -14.641 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.682 19.697 -13.474 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.309 20.577 -12.832 1.00 0.00 H new ATOM 944 N TRP A 62 8.138 15.135 -13.347 1.00 0.00 N ATOM 945 CA TRP A 62 8.528 13.756 -13.194 1.00 0.00 C ATOM 946 C TRP A 62 7.581 12.854 -13.963 1.00 0.00 C ATOM 947 O TRP A 62 6.517 13.286 -14.399 1.00 0.00 O ATOM 948 CB TRP A 62 8.544 13.378 -11.713 1.00 0.00 C ATOM 949 CG TRP A 62 7.195 13.390 -11.054 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.559 14.455 -10.484 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.326 12.271 -10.887 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.351 14.056 -9.957 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.185 12.715 -10.197 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.412 10.933 -11.257 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.137 11.856 -9.867 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.375 10.088 -10.931 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.253 10.553 -10.241 1.00 0.00 C ATOM 0 H TRP A 62 7.134 15.282 -13.452 1.00 0.00 H new ATOM 0 HA TRP A 62 9.532 13.625 -13.598 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.976 12.383 -11.609 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.200 14.067 -11.182 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.946 15.463 -10.451 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.688 14.658 -9.468 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.276 10.564 -11.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.267 12.211 -9.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.430 9.047 -11.214 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.459 9.862 -9.999 1.00 0.00 H new ATOM 968 N CYS A 63 7.969 11.605 -14.139 1.00 0.00 N ATOM 969 CA CYS A 63 7.112 10.646 -14.806 1.00 0.00 C ATOM 970 C CYS A 63 7.439 9.231 -14.347 1.00 0.00 C ATOM 971 O CYS A 63 8.412 9.010 -13.628 1.00 0.00 O ATOM 972 CB CYS A 63 7.268 10.765 -16.323 1.00 0.00 C ATOM 973 SG CYS A 63 8.796 10.021 -16.972 1.00 0.00 S ATOM 0 H CYS A 63 8.867 11.233 -13.831 1.00 0.00 H new ATOM 0 HA CYS A 63 6.076 10.862 -14.544 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.413 10.291 -16.804 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.244 11.819 -16.599 1.00 0.00 H new ATOM 978 N HIS A 64 6.613 8.276 -14.752 1.00 0.00 N ATOM 979 CA HIS A 64 6.826 6.879 -14.393 1.00 0.00 C ATOM 980 C HIS A 64 7.620 6.200 -15.490 1.00 0.00 C ATOM 981 O HIS A 64 7.219 6.231 -16.643 1.00 0.00 O ATOM 982 CB HIS A 64 5.486 6.156 -14.181 1.00 0.00 C ATOM 983 CG HIS A 64 4.694 6.709 -13.039 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.703 7.651 -13.199 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.759 6.456 -11.710 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.196 7.955 -12.018 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.819 7.244 -11.095 1.00 0.00 N ATOM 0 H HIS A 64 5.789 8.442 -15.329 1.00 0.00 H new ATOM 0 HA HIS A 64 7.381 6.834 -13.456 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.894 6.226 -15.093 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.675 5.097 -14.005 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.428 5.761 -11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.404 8.666 -11.837 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.632 7.276 -10.093 1.00 0.00 H new ATOM 996 N THR A 65 8.746 5.608 -15.140 1.00 0.00 N ATOM 997 CA THR A 65 9.597 4.980 -16.133 1.00 0.00 C ATOM 998 C THR A 65 8.979 3.670 -16.603 1.00 0.00 C ATOM 999 O THR A 65 8.323 2.967 -15.829 1.00 0.00 O ATOM 1000 CB THR A 65 11.016 4.718 -15.577 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.998 3.591 -14.699 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.535 5.934 -14.819 1.00 0.00 C ATOM 0 H THR A 65 9.091 5.549 -14.182 1.00 0.00 H new ATOM 0 HA THR A 65 9.683 5.665 -16.977 1.00 0.00 H new ATOM 0 HB THR A 65 11.677 4.518 -16.420 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.530 3.829 -13.871 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.535 5.726 -14.437 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.574 6.792 -15.490 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.868 6.156 -13.986 1.00 0.00 H new ATOM 1010 N THR A 66 9.147 3.368 -17.880 1.00 0.00 N ATOM 1011 CA THR A 66 8.727 2.089 -18.428 1.00 0.00 C ATOM 1012 C THR A 66 9.725 0.979 -18.094 1.00 0.00 C ATOM 1013 O THR A 66 9.791 -0.043 -18.779 1.00 0.00 O ATOM 1014 CB THR A 66 8.560 2.181 -19.953 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.738 2.746 -20.534 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.352 3.029 -20.313 1.00 0.00 C ATOM 0 H THR A 66 9.574 3.996 -18.561 1.00 0.00 H new ATOM 0 HA THR A 66 7.769 1.843 -17.971 1.00 0.00 H new ATOM 0 HB THR A 66 8.405 1.176 -20.346 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.004 2.216 -21.314 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.253 3.080 -21.397 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.454 2.582 -19.888 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.481 4.035 -19.913 1.00 0.00 H new ATOM 1024 N ASN A 67 10.502 1.186 -17.039 1.00 0.00 N ATOM 1025 CA ASN A 67 11.496 0.210 -16.614 1.00 0.00 C ATOM 1026 C ASN A 67 11.174 -0.287 -15.213 1.00 0.00 C ATOM 1027 O ASN A 67 10.694 0.472 -14.381 1.00 0.00 O ATOM 1028 CB ASN A 67 12.898 0.831 -16.626 1.00 0.00 C ATOM 1029 CG ASN A 67 13.363 1.217 -18.020 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.025 2.426 -18.449 1.00 0.00 O flip ATOM 1031 ND2 ASN A 67 14.021 0.437 -18.707 1.00 0.00 N flip ATOM 0 H ASN A 67 10.462 2.025 -16.460 1.00 0.00 H new ATOM 0 HA ASN A 67 11.473 -0.628 -17.310 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.903 1.716 -15.989 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.607 0.124 -16.195 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.262 -0.485 -18.343 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.326 0.712 -19.641 1.00 0.00 H new ATOM 1038 N SER A 68 11.437 -1.557 -14.950 1.00 0.00 N ATOM 1039 CA SER A 68 11.218 -2.115 -13.621 1.00 0.00 C ATOM 1040 C SER A 68 12.464 -1.957 -12.754 1.00 0.00 C ATOM 1041 O SER A 68 12.560 -2.537 -11.670 1.00 0.00 O ATOM 1042 CB SER A 68 10.837 -3.587 -13.721 1.00 0.00 C ATOM 1043 OG SER A 68 9.632 -3.756 -14.448 1.00 0.00 O ATOM 0 H SER A 68 11.801 -2.220 -15.634 1.00 0.00 H new ATOM 0 HA SER A 68 10.400 -1.567 -13.154 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.640 -4.141 -14.208 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.723 -4.005 -12.721 1.00 0.00 H new ATOM 0 HG SER A 68 9.411 -4.710 -14.499 1.00 0.00 H new ATOM 1049 N GLN A 69 13.414 -1.174 -13.245 1.00 0.00 N ATOM 1050 CA GLN A 69 14.652 -0.915 -12.524 1.00 0.00 C ATOM 1051 C GLN A 69 14.457 0.254 -11.564 1.00 0.00 C ATOM 1052 O GLN A 69 14.996 0.275 -10.456 1.00 0.00 O ATOM 1053 CB GLN A 69 15.773 -0.595 -13.518 1.00 0.00 C ATOM 1054 CG GLN A 69 15.824 -1.560 -14.693 1.00 0.00 C ATOM 1055 CD GLN A 69 16.937 -1.241 -15.676 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.990 -0.721 -15.302 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.709 -1.542 -16.943 1.00 0.00 N ATOM 0 H GLN A 69 13.350 -0.703 -14.148 1.00 0.00 H new ATOM 0 HA GLN A 69 14.926 -1.801 -11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.638 0.419 -13.894 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.730 -0.617 -12.996 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.958 -2.574 -14.317 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.868 -1.538 -15.216 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.825 -1.972 -17.214 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.418 -1.344 -17.650 1.00 0.00 H new ATOM 1066 N VAL A 70 13.671 1.220 -12.012 1.00 0.00 N ATOM 1067 CA VAL A 70 13.336 2.396 -11.232 1.00 0.00 C ATOM 1068 C VAL A 70 11.837 2.652 -11.352 1.00 0.00 C ATOM 1069 O VAL A 70 11.228 2.248 -12.336 1.00 0.00 O ATOM 1070 CB VAL A 70 14.143 3.624 -11.728 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.931 3.860 -13.216 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.799 4.877 -10.939 1.00 0.00 C ATOM 0 H VAL A 70 13.244 1.207 -12.938 1.00 0.00 H new ATOM 0 HA VAL A 70 13.594 2.230 -10.186 1.00 0.00 H new ATOM 0 HB VAL A 70 15.197 3.401 -11.562 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.510 4.728 -13.533 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.258 2.982 -13.774 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.873 4.039 -13.409 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.384 5.716 -11.315 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.737 5.097 -11.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.029 4.718 -9.885 1.00 0.00 H new ATOM 1082 N ARG A 71 11.229 3.280 -10.359 1.00 0.00 N ATOM 1083 CA ARG A 71 9.805 3.553 -10.433 1.00 0.00 C ATOM 1084 C ARG A 71 9.555 4.813 -11.257 1.00 0.00 C ATOM 1085 O ARG A 71 9.441 4.752 -12.483 1.00 0.00 O ATOM 1086 CB ARG A 71 9.187 3.674 -9.036 1.00 0.00 C ATOM 1087 CG ARG A 71 7.673 3.838 -9.056 1.00 0.00 C ATOM 1088 CD ARG A 71 7.055 3.653 -7.679 1.00 0.00 C ATOM 1089 NE ARG A 71 7.410 4.716 -6.739 1.00 0.00 N ATOM 1090 CZ ARG A 71 6.684 5.011 -5.660 1.00 0.00 C ATOM 1091 NH1 ARG A 71 5.559 4.352 -5.418 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 7.083 5.962 -4.822 1.00 0.00 N ATOM 0 H ARG A 71 11.689 3.605 -9.508 1.00 0.00 H new ATOM 0 HA ARG A 71 9.320 2.712 -10.929 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.441 2.787 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.631 4.527 -8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.422 4.829 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.240 3.114 -9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.970 3.612 -7.778 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.375 2.694 -7.271 1.00 0.00 H new ATOM 0 HE ARG A 71 8.255 5.259 -6.918 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.249 3.620 -6.057 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.003 4.577 -4.593 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.949 6.471 -5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.524 6.183 -3.998 1.00 0.00 H new ATOM 1106 N TRP A 72 9.444 5.946 -10.587 1.00 0.00 N ATOM 1107 CA TRP A 72 9.329 7.220 -11.267 1.00 0.00 C ATOM 1108 C TRP A 72 10.705 7.872 -11.387 1.00 0.00 C ATOM 1109 O TRP A 72 11.647 7.461 -10.709 1.00 0.00 O ATOM 1110 CB TRP A 72 8.344 8.133 -10.533 1.00 0.00 C ATOM 1111 CG TRP A 72 8.784 8.530 -9.161 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.719 7.779 -8.028 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.340 9.789 -8.779 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.219 8.487 -6.966 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.604 9.727 -7.401 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.647 10.958 -9.474 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.161 10.795 -6.703 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.195 12.017 -8.782 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.447 11.930 -7.409 1.00 0.00 C ATOM 0 H TRP A 72 9.431 6.008 -9.569 1.00 0.00 H new ATOM 0 HA TRP A 72 8.940 7.054 -12.272 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.188 9.033 -11.127 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.381 7.627 -10.462 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.330 6.773 -7.974 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.292 8.146 -6.008 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.459 11.033 -10.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.360 10.729 -5.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.434 12.929 -9.309 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.877 12.778 -6.896 1.00 0.00 H new ATOM 1130 N GLU A 73 10.820 8.883 -12.231 1.00 0.00 N ATOM 1131 CA GLU A 73 12.060 9.630 -12.354 1.00 0.00 C ATOM 1132 C GLU A 73 11.758 11.086 -12.646 1.00 0.00 C ATOM 1133 O GLU A 73 10.704 11.408 -13.197 1.00 0.00 O ATOM 1134 CB GLU A 73 12.943 9.063 -13.462 1.00 0.00 C ATOM 1135 CG GLU A 73 14.419 9.085 -13.109 1.00 0.00 C ATOM 1136 CD GLU A 73 15.301 8.520 -14.202 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.511 7.291 -14.217 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.805 9.307 -15.033 1.00 0.00 O1- ATOM 0 H GLU A 73 10.069 9.206 -12.842 1.00 0.00 H new ATOM 0 HA GLU A 73 12.597 9.545 -11.409 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.640 8.037 -13.672 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.784 9.636 -14.376 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.721 10.111 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.576 8.515 -12.193 1.00 0.00 H new ATOM 1145 N TYR A 74 12.676 11.957 -12.254 1.00 0.00 N ATOM 1146 CA TYR A 74 12.550 13.376 -12.535 1.00 0.00 C ATOM 1147 C TYR A 74 12.909 13.664 -13.980 1.00 0.00 C ATOM 1148 O TYR A 74 13.437 12.804 -14.680 1.00 0.00 O ATOM 1149 CB TYR A 74 13.462 14.197 -11.625 1.00 0.00 C ATOM 1150 CG TYR A 74 12.903 14.437 -10.243 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.707 15.119 -10.073 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.575 13.994 -9.110 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.195 15.355 -8.813 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.067 14.224 -7.845 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.877 14.908 -7.704 1.00 0.00 C ATOM 1156 OH TYR A 74 11.362 15.143 -6.448 1.00 0.00 O ATOM 0 H TYR A 74 13.519 11.703 -11.739 1.00 0.00 H new ATOM 0 HA TYR A 74 11.513 13.658 -12.351 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.421 13.686 -11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.658 15.159 -12.098 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.168 15.471 -10.940 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.508 13.462 -9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.263 15.888 -8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.598 13.871 -6.973 1.00 0.00 H new ATOM 0 HH TYR A 74 11.962 14.763 -5.772 1.00 0.00 H new ATOM 1166 N CYS A 75 12.630 14.879 -14.415 1.00 0.00 N ATOM 1167 CA CYS A 75 13.007 15.322 -15.749 1.00 0.00 C ATOM 1168 C CYS A 75 13.682 16.684 -15.662 1.00 0.00 C ATOM 1169 O CYS A 75 13.180 17.593 -14.999 1.00 0.00 O ATOM 1170 CB CYS A 75 11.783 15.421 -16.658 1.00 0.00 C ATOM 1171 SG CYS A 75 10.705 13.953 -16.657 1.00 0.00 S ATOM 0 H CYS A 75 12.141 15.582 -13.862 1.00 0.00 H new ATOM 0 HA CYS A 75 13.696 14.591 -16.172 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.193 16.287 -16.356 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.120 15.605 -17.678 1.00 0.00 H new ATOM 1176 N LYS A 76 14.817 16.836 -16.326 1.00 0.00 N ATOM 1177 CA LYS A 76 15.535 18.096 -16.275 1.00 0.00 C ATOM 1178 C LYS A 76 15.049 19.024 -17.375 1.00 0.00 C ATOM 1179 O LYS A 76 15.547 18.997 -18.502 1.00 0.00 O ATOM 1180 CB LYS A 76 17.051 17.905 -16.373 1.00 0.00 C ATOM 1181 CG LYS A 76 17.807 19.221 -16.267 1.00 0.00 C ATOM 1182 CD LYS A 76 19.311 19.028 -16.312 1.00 0.00 C ATOM 1183 CE LYS A 76 20.040 20.366 -16.316 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.716 21.188 -15.117 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.254 16.114 -16.898 1.00 0.00 H new ATOM 0 HA LYS A 76 15.328 18.547 -15.304 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.382 17.233 -15.581 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.294 17.424 -17.321 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.503 19.878 -17.082 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.535 19.720 -15.337 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.630 18.440 -15.452 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.581 18.462 -17.203 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.115 20.192 -16.355 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.774 20.920 -17.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.356 22.007 -15.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.732 21.520 -15.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.833 20.612 -14.259 1.00 0.00 H new ATOM 1198 N ILE A 77 14.049 19.815 -17.040 1.00 0.00 N ATOM 1199 CA ILE A 77 13.553 20.835 -17.941 1.00 0.00 C ATOM 1200 C ILE A 77 14.450 22.071 -17.796 1.00 0.00 C ATOM 1201 O ILE A 77 15.049 22.253 -16.733 1.00 0.00 O ATOM 1202 CB ILE A 77 12.075 21.176 -17.593 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.236 19.895 -17.464 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.449 22.110 -18.615 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.352 18.933 -18.630 1.00 0.00 C ATOM 0 H ILE A 77 13.562 19.770 -16.145 1.00 0.00 H new ATOM 0 HA ILE A 77 13.578 20.483 -18.972 1.00 0.00 H new ATOM 0 HB ILE A 77 12.085 21.693 -16.634 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.532 19.375 -16.553 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.189 20.175 -17.346 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.418 22.321 -18.332 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.013 23.042 -18.650 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.466 21.638 -19.598 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.724 18.061 -18.446 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.026 19.429 -19.544 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.389 18.617 -18.739 1.00 0.00 H new ATOM 1217 N PRO A 78 14.608 22.913 -18.845 1.00 0.00 N ATOM 1218 CA PRO A 78 15.383 24.157 -18.745 1.00 0.00 C ATOM 1219 C PRO A 78 14.802 25.086 -17.684 1.00 0.00 C ATOM 1220 O PRO A 78 13.922 24.699 -16.932 1.00 0.00 O ATOM 1221 CB PRO A 78 15.249 24.782 -20.135 1.00 0.00 C ATOM 1222 CG PRO A 78 14.919 23.642 -21.025 1.00 0.00 C ATOM 1223 CD PRO A 78 14.063 22.732 -20.199 1.00 0.00 C ATOM 0 HA PRO A 78 16.418 23.980 -18.453 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.467 25.541 -20.155 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.174 25.270 -20.442 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.389 23.979 -21.916 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.821 23.133 -21.364 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.010 23.009 -20.252 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.137 21.696 -20.530 1.00 0.00 H new ATOM 1231 N SER A 79 15.250 26.316 -17.625 1.00 0.00 N ATOM 1232 CA SER A 79 14.827 27.191 -16.545 1.00 0.00 C ATOM 1233 C SER A 79 14.942 28.660 -16.914 1.00 0.00 C ATOM 1234 O SER A 79 15.956 29.104 -17.442 1.00 0.00 O ATOM 1235 CB SER A 79 15.650 26.905 -15.279 1.00 0.00 C ATOM 1236 OG SER A 79 15.380 25.606 -14.767 1.00 0.00 O ATOM 0 H SER A 79 15.895 26.734 -18.295 1.00 0.00 H new ATOM 0 HA SER A 79 13.774 26.982 -16.355 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.712 26.995 -15.506 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.422 27.652 -14.519 1.00 0.00 H new ATOM 0 HG SER A 79 14.743 25.149 -15.355 1.00 0.00 H new ATOM 1242 N CYS A 80 13.874 29.401 -16.652 1.00 0.00 N ATOM 1243 CA CYS A 80 13.916 30.852 -16.724 1.00 0.00 C ATOM 1244 C CYS A 80 14.300 31.396 -15.354 1.00 0.00 C ATOM 1245 O CYS A 80 14.392 32.604 -15.139 1.00 0.00 O ATOM 1246 CB CYS A 80 12.566 31.419 -17.184 1.00 0.00 C ATOM 1247 SG CYS A 80 12.209 31.144 -18.953 1.00 0.00 S ATOM 0 H CYS A 80 12.966 29.018 -16.387 1.00 0.00 H new ATOM 0 HA CYS A 80 14.659 31.160 -17.459 1.00 0.00 H new ATOM 0 HB2 CYS A 80 11.772 30.967 -16.589 1.00 0.00 H new ATOM 0 HB3 CYS A 80 12.546 32.490 -16.982 1.00 0.00 H new ATOM 1252 N ASP A 81 14.511 30.468 -14.430 1.00 0.00 N ATOM 1253 CA ASP A 81 14.988 30.784 -13.093 1.00 0.00 C ATOM 1254 C ASP A 81 16.478 31.094 -13.146 1.00 0.00 C ATOM 1255 O ASP A 81 16.904 32.217 -12.865 1.00 0.00 O ATOM 1256 CB ASP A 81 14.725 29.595 -12.166 1.00 0.00 C ATOM 1257 CG ASP A 81 15.097 29.869 -10.723 1.00 0.00 C ATOM 1258 OD1 ASP A 81 16.255 29.603 -10.343 1.00 0.00 O1- ATOM 1259 OD2 ASP A 81 14.226 30.329 -9.957 1.00 0.00 O1- ATOM 0 H ASP A 81 14.355 29.472 -14.589 1.00 0.00 H new ATOM 0 HA ASP A 81 14.460 31.657 -12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.669 29.329 -12.218 1.00 0.00 H new ATOM 0 HB3 ASP A 81 15.289 28.733 -12.522 1.00 0.00 H new ATOM 1264 N SER A 82 17.259 30.090 -13.523 1.00 0.00 N ATOM 1265 CA SER A 82 18.691 30.237 -13.729 1.00 0.00 C ATOM 1266 C SER A 82 19.193 29.127 -14.648 1.00 0.00 C ATOM 1267 O SER A 82 19.278 29.357 -15.870 1.00 0.00 O ATOM 1268 CB SER A 82 19.441 30.201 -12.392 1.00 0.00 C ATOM 1269 OG SER A 82 19.059 31.290 -11.566 1.00 0.00 O ATOM 1270 OXT SER A 82 19.476 28.019 -14.149 1.00 0.00 O1- ATOM 0 H SER A 82 16.913 29.146 -13.695 1.00 0.00 H new ATOM 0 HA SER A 82 18.880 31.204 -14.196 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.234 29.261 -11.880 1.00 0.00 H new ATOM 0 HB3 SER A 82 20.515 30.236 -12.572 1.00 0.00 H new ATOM 0 HG SER A 82 18.493 31.905 -12.077 1.00 0.00 H new TER 1276 SER A 82