USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 695 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 43 ASN : amide:sc= -3.97! C(o=-7.3!,f=-10!) USER MOD Set 1.2: A 58 SER OG : rot 172:sc= -3.34! USER MOD Set 2.1: A 39 TYR OH : rot 82:sc= 1.06 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 8 SER OG : rot 120:sc= -3.71! USER MOD Set 3.2: A 23 CYS SG : rot 70:sc= -1.45 USER MOD Set 3.3: A 33 SER OG : rot -100:sc= 0.942 USER MOD Set 4.1: A 9 ASN :FLIP amide:sc= -1.83 F(o=-5.7,f=-2.3) USER MOD Set 4.2: A 10 ASN : amide:sc= -0.467 K(o=-2.3,f=-3.8!) USER MOD Set 5.1: A 5 HIS : no HE2:sc= -3.24! X(o=-9.3!,f=-8.9) USER MOD Set 5.2: A 92 ASN : amide:sc= -5 K(o=-9.3,f=-21!) USER MOD Set 5.3: A 94 SER OG : rot 81:sc= -1.07 USER MOD Single : A 3 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.1!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HE2:sc= -6.65! C(o=-6.6!,f=-11!) USER MOD Single : A 20 HIS : no HE2:sc= -8.11! C(o=-8.1!,f=-11!) USER MOD Single : A 25 ASN : amide:sc= -2.97! C(o=-3!,f=-5.3!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00333 USER MOD Single : A 54 ASN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.92 X(o=-1.9,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc=-0.00221 X(o=-0.0022,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.742 K(o=-0.74,f=-2.7!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.825 X(o=-0.82,f=-0.41) USER MOD Single : A 99 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.9!) USER MOD Single : A 101 CYS SG : rot -51:sc= -0.176 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.666 -8.639 -4.082 1.00 0.00 N ATOM 21 CA GLY A 2 -5.238 -7.320 -3.882 1.00 0.00 C ATOM 22 C GLY A 2 -5.786 -6.728 -5.158 1.00 0.00 C ATOM 23 O GLY A 2 -5.342 -5.674 -5.613 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.036 -7.382 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.476 -6.655 -3.475 1.00 0.00 H new ATOM 27 N ASN A 3 -6.772 -7.407 -5.716 1.00 0.00 N ATOM 28 CA ASN A 3 -7.431 -6.968 -6.934 1.00 0.00 C ATOM 29 C ASN A 3 -8.078 -5.600 -6.739 1.00 0.00 C ATOM 30 O ASN A 3 -8.465 -4.948 -7.707 1.00 0.00 O ATOM 31 CB ASN A 3 -8.483 -7.987 -7.367 1.00 0.00 C ATOM 32 CG ASN A 3 -7.912 -9.055 -8.279 1.00 0.00 C ATOM 33 OD1 ASN A 3 -7.049 -8.780 -9.113 1.00 0.00 O ATOM 34 ND2 ASN A 3 -8.394 -10.283 -8.125 1.00 0.00 N ATOM 0 H ASN A 3 -7.139 -8.280 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.676 -6.885 -7.716 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -8.913 -8.459 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.295 -7.471 -7.880 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.049 -11.043 -8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.109 -10.466 -7.421 1.00 0.00 H new ATOM 41 N PHE A 4 -8.226 -5.181 -5.480 1.00 0.00 N ATOM 42 CA PHE A 4 -8.863 -3.907 -5.171 1.00 0.00 C ATOM 43 C PHE A 4 -8.338 -2.790 -6.072 1.00 0.00 C ATOM 44 O PHE A 4 -9.075 -1.872 -6.425 1.00 0.00 O ATOM 45 CB PHE A 4 -8.635 -3.543 -3.697 1.00 0.00 C ATOM 46 CG PHE A 4 -7.425 -2.678 -3.458 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.150 -3.163 -3.703 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.566 -1.379 -2.995 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.039 -2.370 -3.490 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.458 -0.581 -2.781 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.193 -1.077 -3.028 1.00 0.00 C ATOM 0 H PHE A 4 -7.913 -5.706 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.932 -4.015 -5.353 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.518 -3.026 -3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.532 -4.461 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.024 -4.173 -4.065 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.553 -0.986 -2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.051 -2.760 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.581 0.430 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.326 -0.455 -2.860 1.00 0.00 H new ATOM 61 N HIS A 5 -7.068 -2.879 -6.447 1.00 0.00 N ATOM 62 CA HIS A 5 -6.465 -1.876 -7.310 1.00 0.00 C ATOM 63 C HIS A 5 -7.164 -1.843 -8.666 1.00 0.00 C ATOM 64 O HIS A 5 -7.325 -0.781 -9.269 1.00 0.00 O ATOM 65 CB HIS A 5 -4.968 -2.158 -7.486 1.00 0.00 C ATOM 66 CG HIS A 5 -4.639 -3.029 -8.662 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.166 -2.529 -9.857 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.721 -4.371 -8.824 1.00 0.00 C ATOM 69 CE1 HIS A 5 -3.973 -3.524 -10.703 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.302 -4.653 -10.101 1.00 0.00 N ATOM 0 H HIS A 5 -6.440 -3.632 -6.168 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.584 -0.900 -6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.441 -1.210 -7.592 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.590 -2.632 -6.580 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -3.992 -1.544 -10.056 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.054 -5.086 -8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.608 -3.431 -11.715 1.00 0.00 H new ATOM 79 N GLU A 6 -7.573 -3.015 -9.140 1.00 0.00 N ATOM 80 CA GLU A 6 -8.250 -3.123 -10.425 1.00 0.00 C ATOM 81 C GLU A 6 -9.728 -2.758 -10.302 1.00 0.00 C ATOM 82 O GLU A 6 -10.365 -2.374 -11.282 1.00 0.00 O ATOM 83 CB GLU A 6 -8.092 -4.541 -10.985 1.00 0.00 C ATOM 84 CG GLU A 6 -8.974 -5.582 -10.309 1.00 0.00 C ATOM 85 CD GLU A 6 -9.837 -6.345 -11.295 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.289 -7.187 -12.037 1.00 0.00 O ATOM 87 OE2 GLU A 6 -11.061 -6.100 -11.326 1.00 0.00 O ATOM 0 H GLU A 6 -7.447 -3.902 -8.653 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.788 -2.416 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.319 -4.526 -12.051 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.050 -4.845 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.346 -6.285 -9.762 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.614 -5.090 -9.577 1.00 0.00 H new ATOM 94 N SER A 7 -10.267 -2.881 -9.092 1.00 0.00 N ATOM 95 CA SER A 7 -11.669 -2.564 -8.845 1.00 0.00 C ATOM 96 C SER A 7 -11.814 -1.275 -8.037 1.00 0.00 C ATOM 97 O SER A 7 -12.890 -0.980 -7.518 1.00 0.00 O ATOM 98 CB SER A 7 -12.350 -3.721 -8.109 1.00 0.00 C ATOM 99 OG SER A 7 -13.156 -4.482 -8.991 1.00 0.00 O ATOM 0 H SER A 7 -9.754 -3.197 -8.269 1.00 0.00 H new ATOM 0 HA SER A 7 -12.153 -2.415 -9.810 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.594 -4.363 -7.656 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.963 -3.329 -7.297 1.00 0.00 H new ATOM 0 HG SER A 7 -13.578 -5.216 -8.497 1.00 0.00 H new ATOM 105 N SER A 8 -10.731 -0.508 -7.934 1.00 0.00 N ATOM 106 CA SER A 8 -10.755 0.746 -7.189 1.00 0.00 C ATOM 107 C SER A 8 -10.240 1.897 -8.045 1.00 0.00 C ATOM 108 O SER A 8 -9.476 1.690 -8.988 1.00 0.00 O ATOM 109 CB SER A 8 -9.915 0.630 -5.917 1.00 0.00 C ATOM 110 OG SER A 8 -9.882 1.859 -5.213 1.00 0.00 O ATOM 0 H SER A 8 -9.830 -0.733 -8.356 1.00 0.00 H new ATOM 0 HA SER A 8 -11.789 0.952 -6.914 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.327 -0.149 -5.275 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.900 0.327 -6.174 1.00 0.00 H new ATOM 0 HG SER A 8 -10.252 1.731 -4.315 1.00 0.00 H new ATOM 116 N ASN A 9 -10.661 3.111 -7.708 1.00 0.00 N ATOM 117 CA ASN A 9 -10.241 4.297 -8.441 1.00 0.00 C ATOM 118 C ASN A 9 -9.519 5.271 -7.517 1.00 0.00 C ATOM 119 O ASN A 9 -9.665 5.211 -6.296 1.00 0.00 O ATOM 120 CB ASN A 9 -11.451 4.977 -9.087 1.00 0.00 C ATOM 121 CG ASN A 9 -11.110 6.323 -9.696 1.00 0.00 C ATOM 122 OD1 ASN A 9 -11.040 7.348 -8.856 1.00 0.00 O flip ATOM 123 ND2 ASN A 9 -10.912 6.440 -10.906 1.00 0.00 N flip ATOM 0 H ASN A 9 -11.294 3.299 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.550 3.990 -9.226 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.859 4.326 -9.860 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.231 5.109 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.976 5.624 -11.515 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.684 7.353 -11.299 1.00 0.00 H new ATOM 130 N ASN A 10 -8.739 6.165 -8.110 1.00 0.00 N ATOM 131 CA ASN A 10 -7.989 7.155 -7.345 1.00 0.00 C ATOM 132 C ASN A 10 -7.075 6.477 -6.327 1.00 0.00 C ATOM 133 O ASN A 10 -7.204 6.691 -5.121 1.00 0.00 O ATOM 134 CB ASN A 10 -8.947 8.113 -6.634 1.00 0.00 C ATOM 135 CG ASN A 10 -9.341 9.289 -7.506 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.010 9.337 -8.691 1.00 0.00 O ATOM 137 ND2 ASN A 10 -10.053 10.246 -6.922 1.00 0.00 N ATOM 0 H ASN A 10 -8.608 6.226 -9.120 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.370 7.723 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.843 7.570 -6.334 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.478 8.482 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.348 11.062 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.305 10.165 -5.937 1.00 0.00 H new ATOM 144 N ILE A 11 -6.152 5.658 -6.822 1.00 0.00 N ATOM 145 CA ILE A 11 -5.215 4.949 -5.955 1.00 0.00 C ATOM 146 C ILE A 11 -3.923 5.744 -5.795 1.00 0.00 C ATOM 147 O ILE A 11 -3.203 5.977 -6.766 1.00 0.00 O ATOM 148 CB ILE A 11 -4.875 3.542 -6.500 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.997 3.016 -7.403 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.625 2.576 -5.352 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.359 3.014 -6.741 1.00 0.00 C ATOM 0 H ILE A 11 -6.032 5.469 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.704 4.837 -4.987 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.967 3.621 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.042 3.626 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.754 2.001 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.387 1.590 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.790 2.935 -4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.518 2.510 -4.731 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.102 2.629 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.332 2.380 -5.854 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.625 4.031 -6.452 1.00 0.00 H new ATOM 163 N TRP A 12 -3.636 6.160 -4.566 1.00 0.00 N ATOM 164 CA TRP A 12 -2.431 6.932 -4.284 1.00 0.00 C ATOM 165 C TRP A 12 -2.062 6.848 -2.806 1.00 0.00 C ATOM 166 O TRP A 12 -2.672 6.097 -2.046 1.00 0.00 O ATOM 167 CB TRP A 12 -2.633 8.394 -4.688 1.00 0.00 C ATOM 168 CG TRP A 12 -3.726 9.076 -3.924 1.00 0.00 C ATOM 169 CD1 TRP A 12 -5.061 8.797 -3.979 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.578 10.153 -2.991 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.753 9.634 -3.137 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.865 10.475 -2.519 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.483 10.875 -2.507 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -5.085 11.487 -1.588 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.704 11.879 -1.583 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.996 12.177 -1.132 1.00 0.00 C ATOM 0 H TRP A 12 -4.220 5.976 -3.750 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.614 6.508 -4.868 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.700 8.937 -4.537 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.860 8.441 -5.753 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.508 8.030 -4.594 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.763 9.630 -2.995 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.483 10.652 -2.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.080 11.719 -1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.866 12.444 -1.202 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -4.135 12.968 -0.410 1.00 0.00 H new ATOM 187 N LEU A 13 -1.058 7.623 -2.407 1.00 0.00 N ATOM 188 CA LEU A 13 -0.606 7.635 -1.020 1.00 0.00 C ATOM 189 C LEU A 13 -0.405 9.064 -0.524 1.00 0.00 C ATOM 190 O LEU A 13 0.006 9.943 -1.281 1.00 0.00 O ATOM 191 CB LEU A 13 0.699 6.847 -0.882 1.00 0.00 C ATOM 192 CG LEU A 13 0.851 6.069 0.427 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.338 5.143 0.643 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.153 5.282 0.428 1.00 0.00 C ATOM 0 H LEU A 13 -0.542 8.250 -3.024 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.376 7.163 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.772 6.146 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.535 7.540 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 13 0.879 6.782 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.210 4.599 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.254 5.732 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.402 4.434 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.246 4.734 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.154 4.579 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.993 5.969 0.324 1.00 0.00 H new ATOM 206 N GLU A 14 -0.695 9.287 0.754 1.00 0.00 N ATOM 207 CA GLU A 14 -0.546 10.608 1.355 1.00 0.00 C ATOM 208 C GLU A 14 0.501 10.581 2.464 1.00 0.00 C ATOM 209 O GLU A 14 0.374 9.834 3.434 1.00 0.00 O ATOM 210 CB GLU A 14 -1.888 11.096 1.907 1.00 0.00 C ATOM 211 CG GLU A 14 -1.789 12.384 2.709 1.00 0.00 C ATOM 212 CD GLU A 14 -3.116 12.796 3.317 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.721 11.974 4.036 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.549 13.942 3.074 1.00 0.00 O ATOM 0 H GLU A 14 -1.035 8.569 1.394 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.211 11.300 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.578 11.248 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.315 10.317 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.053 12.257 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.426 13.183 2.063 1.00 0.00 H new ATOM 221 N ASP A 15 1.536 11.401 2.311 1.00 0.00 N ATOM 222 CA ASP A 15 2.609 11.475 3.296 1.00 0.00 C ATOM 223 C ASP A 15 3.291 10.119 3.476 1.00 0.00 C ATOM 224 O ASP A 15 3.973 9.886 4.474 1.00 0.00 O ATOM 225 CB ASP A 15 2.064 11.973 4.637 1.00 0.00 C ATOM 226 CG ASP A 15 2.678 13.294 5.056 1.00 0.00 C ATOM 227 OD1 ASP A 15 2.152 14.350 4.644 1.00 0.00 O ATOM 228 OD2 ASP A 15 3.683 13.274 5.797 1.00 0.00 O ATOM 0 H ASP A 15 1.654 12.025 1.513 1.00 0.00 H new ATOM 0 HA ASP A 15 3.353 12.181 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.982 12.084 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.259 11.225 5.406 1.00 0.00 H new ATOM 233 N GLY A 16 3.110 9.231 2.501 1.00 0.00 N ATOM 234 CA GLY A 16 3.721 7.917 2.571 1.00 0.00 C ATOM 235 C GLY A 16 3.301 7.134 3.800 1.00 0.00 C ATOM 236 O GLY A 16 4.147 6.694 4.579 1.00 0.00 O ATOM 0 H GLY A 16 2.551 9.399 1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.456 7.351 1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.806 8.026 2.569 1.00 0.00 H new ATOM 240 N HIS A 17 1.996 6.948 3.969 1.00 0.00 N ATOM 241 CA HIS A 17 1.474 6.200 5.109 1.00 0.00 C ATOM 242 C HIS A 17 -0.047 6.050 5.030 1.00 0.00 C ATOM 243 O HIS A 17 -0.602 5.054 5.494 1.00 0.00 O ATOM 244 CB HIS A 17 1.881 6.869 6.427 1.00 0.00 C ATOM 245 CG HIS A 17 1.131 8.128 6.738 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.001 9.170 5.845 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.475 8.511 7.859 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.299 10.141 6.404 1.00 0.00 C ATOM 249 NE2 HIS A 17 -0.033 9.765 7.625 1.00 0.00 N ATOM 0 H HIS A 17 1.282 7.303 3.334 1.00 0.00 H new ATOM 0 HA HIS A 17 1.909 5.201 5.077 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.731 6.160 7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.947 7.094 6.392 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.386 9.189 4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.371 7.937 8.768 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.041 11.082 5.940 1.00 0.00 H new ATOM 258 N ILE A 18 -0.715 7.036 4.438 1.00 0.00 N ATOM 259 CA ILE A 18 -2.168 6.996 4.301 1.00 0.00 C ATOM 260 C ILE A 18 -2.572 6.648 2.871 1.00 0.00 C ATOM 261 O ILE A 18 -2.111 7.270 1.914 1.00 0.00 O ATOM 262 CB ILE A 18 -2.811 8.342 4.703 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.556 8.624 6.185 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.306 8.339 4.409 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.341 7.729 7.120 1.00 0.00 C ATOM 0 H ILE A 18 -0.276 7.869 4.047 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.531 6.220 4.975 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.353 9.134 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.492 8.505 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.807 9.664 6.396 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.736 9.297 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.467 8.178 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.786 7.539 4.973 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.108 7.988 8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.408 7.865 6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.073 6.688 6.938 1.00 0.00 H new ATOM 277 N LEU A 19 -3.437 5.647 2.735 1.00 0.00 N ATOM 278 CA LEU A 19 -3.906 5.210 1.426 1.00 0.00 C ATOM 279 C LEU A 19 -5.365 5.597 1.211 1.00 0.00 C ATOM 280 O LEU A 19 -6.172 5.551 2.138 1.00 0.00 O ATOM 281 CB LEU A 19 -3.747 3.696 1.284 1.00 0.00 C ATOM 282 CG LEU A 19 -4.188 3.123 -0.064 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.424 1.845 -0.378 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.688 2.866 -0.066 1.00 0.00 C ATOM 0 H LEU A 19 -3.828 5.123 3.518 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.300 5.708 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.700 3.439 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.320 3.210 2.073 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.963 3.854 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.752 1.452 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.356 2.060 -0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.616 1.106 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.986 2.458 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.936 2.153 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.218 3.802 0.112 1.00 0.00 H new ATOM 296 N HIS A 20 -5.694 5.973 -0.020 1.00 0.00 N ATOM 297 CA HIS A 20 -7.058 6.362 -0.364 1.00 0.00 C ATOM 298 C HIS A 20 -7.440 5.800 -1.728 1.00 0.00 C ATOM 299 O HIS A 20 -6.674 5.897 -2.686 1.00 0.00 O ATOM 300 CB HIS A 20 -7.214 7.889 -0.365 1.00 0.00 C ATOM 301 CG HIS A 20 -6.046 8.625 0.217 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.793 8.621 -0.357 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.946 9.392 1.329 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.973 9.352 0.376 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.648 9.832 1.404 1.00 0.00 N ATOM 0 H HIS A 20 -5.035 6.017 -0.797 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.726 5.950 0.393 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.368 8.227 -1.390 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.111 8.152 0.196 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.539 8.130 -1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.740 9.616 2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.928 9.527 0.169 1.00 0.00 H new ATOM 314 N ALA A 21 -8.625 5.207 -1.809 1.00 0.00 N ATOM 315 CA ALA A 21 -9.099 4.626 -3.057 1.00 0.00 C ATOM 316 C ALA A 21 -10.605 4.392 -3.022 1.00 0.00 C ATOM 317 O ALA A 21 -11.176 4.115 -1.967 1.00 0.00 O ATOM 318 CB ALA A 21 -8.365 3.324 -3.337 1.00 0.00 C ATOM 0 H ALA A 21 -9.273 5.116 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.891 5.332 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.726 2.897 -4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.296 3.519 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.546 2.622 -2.523 1.00 0.00 H new ATOM 324 N GLU A 22 -11.242 4.504 -4.183 1.00 0.00 N ATOM 325 CA GLU A 22 -12.683 4.304 -4.288 1.00 0.00 C ATOM 326 C GLU A 22 -12.999 2.869 -4.693 1.00 0.00 C ATOM 327 O GLU A 22 -12.951 2.523 -5.873 1.00 0.00 O ATOM 328 CB GLU A 22 -13.287 5.275 -5.307 1.00 0.00 C ATOM 329 CG GLU A 22 -12.570 6.614 -5.380 1.00 0.00 C ATOM 330 CD GLU A 22 -13.411 7.691 -6.037 1.00 0.00 C ATOM 331 OE1 GLU A 22 -14.484 8.023 -5.490 1.00 0.00 O ATOM 332 OE2 GLU A 22 -12.997 8.202 -7.099 1.00 0.00 O ATOM 0 H GLU A 22 -10.783 4.732 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.123 4.498 -3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.269 4.810 -6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.333 5.447 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.300 6.933 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.640 6.494 -5.936 1.00 0.00 H new ATOM 339 N CYS A 23 -13.319 2.036 -3.708 1.00 0.00 N ATOM 340 CA CYS A 23 -13.639 0.637 -3.968 1.00 0.00 C ATOM 341 C CYS A 23 -15.140 0.388 -3.862 1.00 0.00 C ATOM 342 O CYS A 23 -15.782 0.803 -2.897 1.00 0.00 O ATOM 343 CB CYS A 23 -12.892 -0.270 -2.987 1.00 0.00 C ATOM 344 SG CYS A 23 -11.155 0.171 -2.747 1.00 0.00 S ATOM 0 H CYS A 23 -13.364 2.304 -2.725 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.322 0.404 -4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.400 -0.240 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.948 -1.298 -3.345 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.078 1.291 -2.092 1.00 0.00 H new ATOM 350 N GLY A 24 -15.692 -0.295 -4.859 1.00 0.00 N ATOM 351 CA GLY A 24 -17.113 -0.593 -4.858 1.00 0.00 C ATOM 352 C GLY A 24 -17.469 -1.705 -3.890 1.00 0.00 C ATOM 353 O GLY A 24 -16.589 -2.291 -3.260 1.00 0.00 O ATOM 0 H GLY A 24 -15.181 -0.648 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.670 0.306 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.423 -0.877 -5.864 1.00 0.00 H new ATOM 357 N ASN A 25 -18.761 -1.998 -3.770 1.00 0.00 N ATOM 358 CA ASN A 25 -19.225 -3.051 -2.869 1.00 0.00 C ATOM 359 C ASN A 25 -19.877 -4.187 -3.651 1.00 0.00 C ATOM 360 O ASN A 25 -19.726 -5.359 -3.304 1.00 0.00 O ATOM 361 CB ASN A 25 -20.211 -2.494 -1.832 1.00 0.00 C ATOM 362 CG ASN A 25 -20.637 -1.067 -2.123 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.281 -0.140 -1.395 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.403 -0.886 -3.190 1.00 0.00 N ATOM 0 H ASN A 25 -19.504 -1.523 -4.283 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.354 -3.443 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.095 -3.131 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.752 -2.536 -0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.722 0.051 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.674 -1.684 -3.765 1.00 0.00 H new ATOM 433 N VAL A 31 -17.177 3.384 -3.354 1.00 0.00 N ATOM 434 CA VAL A 31 -17.056 3.891 -1.993 1.00 0.00 C ATOM 435 C VAL A 31 -15.627 4.330 -1.694 1.00 0.00 C ATOM 436 O VAL A 31 -14.672 3.614 -1.994 1.00 0.00 O ATOM 437 CB VAL A 31 -17.479 2.833 -0.956 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.628 3.463 0.421 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.771 2.150 -1.381 1.00 0.00 C ATOM 0 HA VAL A 31 -17.723 4.750 -1.919 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.698 2.075 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.927 2.700 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.676 3.897 0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.387 4.244 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.052 1.407 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.563 2.893 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.624 1.660 -2.344 1.00 0.00 H new ATOM 449 N GLU A 32 -15.487 5.511 -1.100 1.00 0.00 N ATOM 450 CA GLU A 32 -14.178 6.045 -0.758 1.00 0.00 C ATOM 451 C GLU A 32 -13.650 5.395 0.520 1.00 0.00 C ATOM 452 O GLU A 32 -14.200 5.594 1.602 1.00 0.00 O ATOM 453 CB GLU A 32 -14.265 7.566 -0.590 1.00 0.00 C ATOM 454 CG GLU A 32 -13.066 8.178 0.113 1.00 0.00 C ATOM 455 CD GLU A 32 -12.570 9.440 -0.566 1.00 0.00 C ATOM 456 OE1 GLU A 32 -12.155 9.358 -1.741 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.598 10.510 0.077 1.00 0.00 O ATOM 0 H GLU A 32 -16.268 6.116 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.483 5.818 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.370 8.025 -1.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.166 7.808 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.333 8.406 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.258 7.447 0.147 1.00 0.00 H new ATOM 464 N SER A 33 -12.581 4.616 0.384 1.00 0.00 N ATOM 465 CA SER A 33 -11.981 3.935 1.526 1.00 0.00 C ATOM 466 C SER A 33 -10.546 4.401 1.748 1.00 0.00 C ATOM 467 O SER A 33 -9.967 5.086 0.905 1.00 0.00 O ATOM 468 CB SER A 33 -12.009 2.418 1.317 1.00 0.00 C ATOM 469 OG SER A 33 -12.490 2.087 0.025 1.00 0.00 O ATOM 0 H SER A 33 -12.113 4.441 -0.505 1.00 0.00 H new ATOM 0 HA SER A 33 -12.566 4.184 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.006 2.011 1.450 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.643 1.956 2.073 1.00 0.00 H new ATOM 0 HG SER A 33 -13.434 1.830 0.083 1.00 0.00 H new ATOM 475 N THR A 34 -9.978 4.022 2.889 1.00 0.00 N ATOM 476 CA THR A 34 -8.609 4.397 3.223 1.00 0.00 C ATOM 477 C THR A 34 -7.964 3.352 4.128 1.00 0.00 C ATOM 478 O THR A 34 -8.651 2.650 4.869 1.00 0.00 O ATOM 479 CB THR A 34 -8.585 5.766 3.906 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.338 5.741 5.105 1.00 0.00 O ATOM 481 CG2 THR A 34 -9.136 6.877 3.039 1.00 0.00 C ATOM 0 H THR A 34 -10.445 3.456 3.597 1.00 0.00 H new ATOM 0 HA THR A 34 -8.037 4.451 2.297 1.00 0.00 H new ATOM 0 HB THR A 34 -7.533 5.972 4.105 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.309 6.625 5.528 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.090 7.820 3.583 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.544 6.955 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.172 6.657 2.781 1.00 0.00 H new ATOM 489 N LEU A 35 -6.640 3.254 4.061 1.00 0.00 N ATOM 490 CA LEU A 35 -5.903 2.293 4.874 1.00 0.00 C ATOM 491 C LEU A 35 -4.575 2.877 5.343 1.00 0.00 C ATOM 492 O LEU A 35 -3.884 3.562 4.588 1.00 0.00 O ATOM 493 CB LEU A 35 -5.654 1.008 4.081 1.00 0.00 C ATOM 494 CG LEU A 35 -5.233 -0.200 4.924 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.343 -1.239 4.963 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.949 -0.811 4.382 1.00 0.00 C ATOM 0 H LEU A 35 -6.056 3.828 3.453 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.507 2.062 5.752 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.563 0.753 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.880 1.201 3.338 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.047 0.142 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.025 -2.089 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.239 -0.798 5.401 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.562 -1.575 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.667 -1.667 4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.107 -1.136 3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.152 -0.067 4.409 1.00 0.00 H new ATOM 508 N ASP A 36 -4.223 2.598 6.593 1.00 0.00 N ATOM 509 CA ASP A 36 -2.977 3.090 7.167 1.00 0.00 C ATOM 510 C ASP A 36 -1.897 2.017 7.110 1.00 0.00 C ATOM 511 O ASP A 36 -2.073 0.915 7.618 1.00 0.00 O ATOM 512 CB ASP A 36 -3.198 3.535 8.613 1.00 0.00 C ATOM 513 CG ASP A 36 -1.942 4.107 9.242 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.102 3.314 9.717 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.798 5.347 9.259 1.00 0.00 O ATOM 0 H ASP A 36 -4.785 2.032 7.229 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.646 3.947 6.580 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.989 4.284 8.642 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.542 2.685 9.203 1.00 0.00 H new ATOM 520 N LEU A 37 -0.784 2.348 6.478 1.00 0.00 N ATOM 521 CA LEU A 37 0.332 1.419 6.356 1.00 0.00 C ATOM 522 C LEU A 37 1.267 1.543 7.544 1.00 0.00 C ATOM 523 O LEU A 37 1.924 0.580 7.939 1.00 0.00 O ATOM 524 CB LEU A 37 1.094 1.675 5.071 1.00 0.00 C ATOM 525 CG LEU A 37 0.226 2.120 3.904 1.00 0.00 C ATOM 526 CD1 LEU A 37 0.931 3.207 3.129 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.116 0.931 3.024 1.00 0.00 C ATOM 0 H LEU A 37 -0.627 3.255 6.039 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.071 0.406 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.850 2.438 5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.622 0.764 4.789 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.711 2.530 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.306 3.523 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.118 4.058 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.879 2.826 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.738 1.261 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.802 0.488 2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.658 0.189 3.610 1.00 0.00 H new ATOM 539 N ASP A 38 1.318 2.743 8.114 1.00 0.00 N ATOM 540 CA ASP A 38 2.171 3.005 9.265 1.00 0.00 C ATOM 541 C ASP A 38 1.827 2.066 10.415 1.00 0.00 C ATOM 542 O ASP A 38 2.570 1.970 11.392 1.00 0.00 O ATOM 543 CB ASP A 38 2.026 4.460 9.714 1.00 0.00 C ATOM 544 CG ASP A 38 2.955 4.806 10.862 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.147 4.440 10.792 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.490 5.444 11.830 1.00 0.00 O ATOM 0 H ASP A 38 0.778 3.548 7.797 1.00 0.00 H new ATOM 0 HA ASP A 38 3.205 2.828 8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.233 5.120 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.995 4.643 10.017 1.00 0.00 H new ATOM 551 N TYR A 39 0.699 1.371 10.293 1.00 0.00 N ATOM 552 CA TYR A 39 0.274 0.438 11.332 1.00 0.00 C ATOM 553 C TYR A 39 -0.040 -0.945 10.753 1.00 0.00 C ATOM 554 O TYR A 39 -0.408 -1.862 11.489 1.00 0.00 O ATOM 555 CB TYR A 39 -0.932 1.005 12.095 1.00 0.00 C ATOM 556 CG TYR A 39 -2.280 0.584 11.550 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.542 0.629 10.190 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.288 0.144 12.399 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.772 0.248 9.686 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.520 -0.239 11.905 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.757 -0.184 10.548 1.00 0.00 C ATOM 562 OH TYR A 39 -5.983 -0.564 10.051 1.00 0.00 O ATOM 0 H TYR A 39 0.069 1.435 9.494 1.00 0.00 H new ATOM 0 HA TYR A 39 1.100 0.313 12.032 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.864 0.694 13.138 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.874 2.093 12.082 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.772 0.967 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.105 0.101 13.463 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.960 0.289 8.623 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.293 -0.580 12.578 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.935 -1.490 9.734 1.00 0.00 H new ATOM 572 N TYR A 40 0.112 -1.095 9.437 1.00 0.00 N ATOM 573 CA TYR A 40 -0.150 -2.371 8.779 1.00 0.00 C ATOM 574 C TYR A 40 1.118 -2.926 8.128 1.00 0.00 C ATOM 575 O TYR A 40 1.230 -4.130 7.898 1.00 0.00 O ATOM 576 CB TYR A 40 -1.254 -2.211 7.730 1.00 0.00 C ATOM 577 CG TYR A 40 -2.618 -2.671 8.202 1.00 0.00 C ATOM 578 CD1 TYR A 40 -2.955 -2.650 9.552 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.569 -3.125 7.297 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.199 -3.070 9.983 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.816 -3.546 7.722 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.125 -3.517 9.065 1.00 0.00 C ATOM 583 OH TYR A 40 -6.364 -3.935 9.492 1.00 0.00 O ATOM 0 H TYR A 40 0.414 -0.350 8.809 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.481 -3.080 9.538 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.316 -1.163 7.438 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.979 -2.775 6.838 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.233 -2.300 10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.331 -3.150 6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.445 -3.048 11.034 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.544 -3.896 7.005 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.898 -4.218 8.720 1.00 0.00 H new ATOM 593 N ILE A 41 2.072 -2.043 7.838 1.00 0.00 N ATOM 594 CA ILE A 41 3.330 -2.450 7.220 1.00 0.00 C ATOM 595 C ILE A 41 4.518 -2.022 8.078 1.00 0.00 C ATOM 596 O ILE A 41 4.526 -0.928 8.641 1.00 0.00 O ATOM 597 CB ILE A 41 3.480 -1.855 5.805 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.406 -2.420 4.878 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.868 -2.137 5.243 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.987 -1.461 3.789 1.00 0.00 C ATOM 0 H ILE A 41 1.997 -1.042 8.021 1.00 0.00 H new ATOM 0 HA ILE A 41 3.314 -3.537 7.142 1.00 0.00 H new ATOM 0 HB ILE A 41 3.353 -0.774 5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.777 -3.337 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.531 -2.690 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.950 -1.708 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.621 -1.691 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.027 -3.214 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.222 -1.927 3.168 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.586 -0.553 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.851 -1.210 3.173 1.00 0.00 H new ATOM 612 N GLY A 42 5.519 -2.891 8.172 1.00 0.00 N ATOM 613 CA GLY A 42 6.695 -2.581 8.964 1.00 0.00 C ATOM 614 C GLY A 42 7.984 -2.708 8.177 1.00 0.00 C ATOM 615 O GLY A 42 7.971 -3.059 6.997 1.00 0.00 O ATOM 0 H GLY A 42 5.537 -3.803 7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.609 -1.566 9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.733 -3.248 9.825 1.00 0.00 H new ATOM 619 N ASN A 43 9.099 -2.417 8.838 1.00 0.00 N ATOM 620 CA ASN A 43 10.411 -2.494 8.206 1.00 0.00 C ATOM 621 C ASN A 43 11.103 -3.811 8.544 1.00 0.00 C ATOM 622 O ASN A 43 11.526 -4.027 9.679 1.00 0.00 O ATOM 623 CB ASN A 43 11.277 -1.316 8.661 1.00 0.00 C ATOM 624 CG ASN A 43 12.686 -1.361 8.099 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.284 -2.428 7.958 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.226 -0.194 7.779 1.00 0.00 N ATOM 0 H ASN A 43 9.120 -2.125 9.815 1.00 0.00 H new ATOM 0 HA ASN A 43 10.275 -2.447 7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.801 -0.384 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.327 -1.308 9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.172 -0.157 7.400 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.695 0.667 7.912 1.00 0.00 H new ATOM 633 N ASP A 44 11.223 -4.682 7.549 1.00 0.00 N ATOM 634 CA ASP A 44 11.875 -5.972 7.740 1.00 0.00 C ATOM 635 C ASP A 44 13.188 -6.032 6.968 1.00 0.00 C ATOM 636 O ASP A 44 13.201 -6.303 5.767 1.00 0.00 O ATOM 637 CB ASP A 44 10.952 -7.106 7.290 1.00 0.00 C ATOM 638 CG ASP A 44 11.503 -8.474 7.641 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.694 -8.724 7.361 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.744 -9.296 8.196 1.00 0.00 O ATOM 0 H ASP A 44 10.878 -4.519 6.603 1.00 0.00 H new ATOM 0 HA ASP A 44 12.091 -6.091 8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.974 -6.981 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.803 -7.043 6.212 1.00 0.00 H new ATOM 645 N ASP A 45 14.292 -5.777 7.664 1.00 0.00 N ATOM 646 CA ASP A 45 15.612 -5.803 7.043 1.00 0.00 C ATOM 647 C ASP A 45 15.662 -4.879 5.828 1.00 0.00 C ATOM 648 O ASP A 45 16.111 -5.274 4.752 1.00 0.00 O ATOM 649 CB ASP A 45 15.974 -7.230 6.629 1.00 0.00 C ATOM 650 CG ASP A 45 17.405 -7.346 6.140 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.328 -7.057 6.931 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.602 -7.725 4.967 1.00 0.00 O ATOM 0 H ASP A 45 14.299 -5.550 8.658 1.00 0.00 H new ATOM 0 HA ASP A 45 16.338 -5.449 7.775 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.827 -7.899 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.296 -7.560 5.842 1.00 0.00 H new ATOM 657 N GLY A 46 15.194 -3.648 6.007 1.00 0.00 N ATOM 658 CA GLY A 46 15.191 -2.691 4.917 1.00 0.00 C ATOM 659 C GLY A 46 14.212 -3.064 3.820 1.00 0.00 C ATOM 660 O GLY A 46 14.298 -2.555 2.703 1.00 0.00 O ATOM 0 H GLY A 46 14.817 -3.297 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.939 -1.704 5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.194 -2.621 4.496 1.00 0.00 H new ATOM 664 N SER A 47 13.277 -3.955 4.140 1.00 0.00 N ATOM 665 CA SER A 47 12.277 -4.394 3.174 1.00 0.00 C ATOM 666 C SER A 47 10.873 -4.268 3.757 1.00 0.00 C ATOM 667 O SER A 47 10.687 -4.327 4.972 1.00 0.00 O ATOM 668 CB SER A 47 12.541 -5.841 2.755 1.00 0.00 C ATOM 669 OG SER A 47 13.286 -5.895 1.550 1.00 0.00 O ATOM 0 H SER A 47 13.192 -4.386 5.060 1.00 0.00 H new ATOM 0 HA SER A 47 12.348 -3.753 2.295 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.084 -6.359 3.546 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.594 -6.364 2.624 1.00 0.00 H new ATOM 0 HG SER A 47 13.443 -6.831 1.304 1.00 0.00 H new ATOM 675 N PHE A 48 9.890 -4.094 2.882 1.00 0.00 N ATOM 676 CA PHE A 48 8.503 -3.958 3.309 1.00 0.00 C ATOM 677 C PHE A 48 7.961 -5.281 3.839 1.00 0.00 C ATOM 678 O PHE A 48 8.274 -6.348 3.310 1.00 0.00 O ATOM 679 CB PHE A 48 7.640 -3.467 2.148 1.00 0.00 C ATOM 680 CG PHE A 48 7.804 -2.002 1.859 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.634 -1.063 2.863 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.131 -1.565 0.585 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.785 0.286 2.602 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.283 -0.218 0.318 1.00 0.00 C ATOM 685 CZ PHE A 48 8.111 0.709 1.328 1.00 0.00 C ATOM 0 H PHE A 48 10.028 -4.044 1.873 1.00 0.00 H new ATOM 0 HA PHE A 48 8.467 -3.226 4.116 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.891 -4.036 1.253 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.593 -3.670 2.372 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.381 -1.389 3.861 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.269 -2.285 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.648 1.008 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.536 0.110 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.231 1.762 1.122 1.00 0.00 H new ATOM 695 N SER A 49 7.148 -5.204 4.887 1.00 0.00 N ATOM 696 CA SER A 49 6.564 -6.397 5.491 1.00 0.00 C ATOM 697 C SER A 49 5.058 -6.235 5.677 1.00 0.00 C ATOM 698 O SER A 49 4.599 -5.293 6.323 1.00 0.00 O ATOM 699 CB SER A 49 7.227 -6.688 6.838 1.00 0.00 C ATOM 700 OG SER A 49 7.042 -5.611 7.741 1.00 0.00 O ATOM 0 H SER A 49 6.878 -4.329 5.336 1.00 0.00 H new ATOM 0 HA SER A 49 6.739 -7.236 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.808 -7.600 7.264 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.293 -6.865 6.692 1.00 0.00 H new ATOM 0 HG SER A 49 7.474 -5.822 8.595 1.00 0.00 H new ATOM 706 N TRP A 50 4.295 -7.164 5.109 1.00 0.00 N ATOM 707 CA TRP A 50 2.841 -7.129 5.214 1.00 0.00 C ATOM 708 C TRP A 50 2.389 -7.545 6.610 1.00 0.00 C ATOM 709 O TRP A 50 2.684 -8.650 7.065 1.00 0.00 O ATOM 710 CB TRP A 50 2.214 -8.052 4.167 1.00 0.00 C ATOM 711 CG TRP A 50 2.082 -7.419 2.816 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.627 -7.864 1.646 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.358 -6.225 2.493 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.286 -7.021 0.616 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.508 -6.008 1.110 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.597 -5.320 3.238 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.925 -4.924 0.459 1.00 0.00 C ATOM 718 CZ3 TRP A 50 0.019 -4.244 2.590 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.186 -4.054 1.213 1.00 0.00 C ATOM 0 H TRP A 50 4.660 -7.950 4.571 1.00 0.00 H new ATOM 0 HA TRP A 50 2.510 -6.106 5.033 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.820 -8.954 4.079 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.228 -8.363 4.512 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.237 -8.749 1.545 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.567 -7.132 -0.358 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.463 -5.459 4.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.052 -4.775 -0.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.571 -3.538 3.156 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.278 -3.203 0.736 1.00 0.00 H new ATOM 730 N GLY A 51 1.673 -6.652 7.285 1.00 0.00 N ATOM 731 CA GLY A 51 1.194 -6.947 8.623 1.00 0.00 C ATOM 732 C GLY A 51 2.057 -6.326 9.706 1.00 0.00 C ATOM 733 O GLY A 51 1.908 -6.649 10.885 1.00 0.00 O ATOM 0 H GLY A 51 1.416 -5.731 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.172 -6.584 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.164 -8.028 8.763 1.00 0.00 H new ATOM 737 N GLY A 52 2.959 -5.431 9.311 1.00 0.00 N ATOM 738 CA GLY A 52 3.827 -4.781 10.274 1.00 0.00 C ATOM 739 C GLY A 52 3.335 -3.398 10.651 1.00 0.00 C ATOM 740 O GLY A 52 2.131 -3.142 10.658 1.00 0.00 O ATOM 0 H GLY A 52 3.103 -5.146 8.342 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.896 -5.397 11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.833 -4.706 9.861 1.00 0.00 H new ATOM 744 N GLU A 53 4.267 -2.503 10.964 1.00 0.00 N ATOM 745 CA GLU A 53 3.917 -1.139 11.342 1.00 0.00 C ATOM 746 C GLU A 53 5.166 -0.313 11.631 1.00 0.00 C ATOM 747 O GLU A 53 6.235 -0.859 11.904 1.00 0.00 O ATOM 748 CB GLU A 53 3.001 -1.147 12.566 1.00 0.00 C ATOM 749 CG GLU A 53 3.449 -2.106 13.657 1.00 0.00 C ATOM 750 CD GLU A 53 2.676 -1.923 14.948 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.440 -1.757 14.881 1.00 0.00 O ATOM 752 OE2 GLU A 53 3.307 -1.944 16.026 1.00 0.00 O ATOM 0 H GLU A 53 5.268 -2.698 10.963 1.00 0.00 H new ATOM 0 HA GLU A 53 3.390 -0.682 10.505 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.951 -0.139 12.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.992 -1.413 12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.327 -3.131 13.307 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.512 -1.960 13.850 1.00 0.00 H new ATOM 759 N ASN A 54 5.021 1.007 11.568 1.00 0.00 N ATOM 760 CA ASN A 54 6.134 1.915 11.823 1.00 0.00 C ATOM 761 C ASN A 54 7.233 1.745 10.779 1.00 0.00 C ATOM 762 O ASN A 54 8.406 1.996 11.053 1.00 0.00 O ATOM 763 CB ASN A 54 6.702 1.681 13.223 1.00 0.00 C ATOM 764 CG ASN A 54 5.652 1.836 14.306 1.00 0.00 C ATOM 765 OD1 ASN A 54 4.942 0.753 14.601 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.481 2.916 14.871 1.00 0.00 N flip ATOM 0 H ASN A 54 4.142 1.472 11.342 1.00 0.00 H new ATOM 0 HA ASN A 54 5.755 2.935 11.758 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.130 0.680 13.276 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.514 2.385 13.405 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.049 3.722 14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.771 3.005 15.598 1.00 0.00 H new ATOM 773 N PHE A 55 6.847 1.321 9.579 1.00 0.00 N ATOM 774 CA PHE A 55 7.803 1.125 8.496 1.00 0.00 C ATOM 775 C PHE A 55 8.498 2.438 8.149 1.00 0.00 C ATOM 776 O PHE A 55 9.707 2.473 7.922 1.00 0.00 O ATOM 777 CB PHE A 55 7.096 0.553 7.262 1.00 0.00 C ATOM 778 CG PHE A 55 6.273 1.563 6.510 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.981 1.862 6.910 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.795 2.214 5.403 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.224 2.790 6.220 1.00 0.00 C ATOM 782 CE2 PHE A 55 6.043 3.142 4.709 1.00 0.00 C ATOM 783 CZ PHE A 55 4.756 3.431 5.118 1.00 0.00 C ATOM 0 H PHE A 55 5.880 1.107 9.333 1.00 0.00 H new ATOM 0 HA PHE A 55 8.560 0.414 8.827 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.843 0.134 6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.451 -0.268 7.573 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.560 1.364 7.771 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.801 1.993 5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.218 3.014 6.542 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.461 3.641 3.847 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.167 4.157 4.577 1.00 0.00 H new ATOM 793 N SER A 56 7.722 3.517 8.117 1.00 0.00 N ATOM 794 CA SER A 56 8.258 4.836 7.807 1.00 0.00 C ATOM 795 C SER A 56 9.263 5.281 8.867 1.00 0.00 C ATOM 796 O SER A 56 10.057 6.193 8.636 1.00 0.00 O ATOM 797 CB SER A 56 7.125 5.858 7.701 1.00 0.00 C ATOM 798 OG SER A 56 7.623 7.139 7.355 1.00 0.00 O ATOM 0 H SER A 56 6.719 3.503 8.302 1.00 0.00 H new ATOM 0 HA SER A 56 8.773 4.774 6.849 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.405 5.530 6.952 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.593 5.916 8.651 1.00 0.00 H new ATOM 0 HG SER A 56 6.879 7.773 7.292 1.00 0.00 H new ATOM 804 N GLY A 57 9.224 4.632 10.031 1.00 0.00 N ATOM 805 CA GLY A 57 10.135 4.976 11.109 1.00 0.00 C ATOM 806 C GLY A 57 11.571 5.107 10.639 1.00 0.00 C ATOM 807 O GLY A 57 12.291 6.010 11.066 1.00 0.00 O ATOM 0 H GLY A 57 8.576 3.874 10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.818 5.915 11.562 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.079 4.213 11.885 1.00 0.00 H new ATOM 811 N SER A 58 11.987 4.207 9.753 1.00 0.00 N ATOM 812 CA SER A 58 13.347 4.235 9.224 1.00 0.00 C ATOM 813 C SER A 58 13.340 4.369 7.705 1.00 0.00 C ATOM 814 O SER A 58 14.262 3.911 7.030 1.00 0.00 O ATOM 815 CB SER A 58 14.112 2.973 9.627 1.00 0.00 C ATOM 816 OG SER A 58 14.062 1.993 8.607 1.00 0.00 O ATOM 0 H SER A 58 11.405 3.453 9.388 1.00 0.00 H new ATOM 0 HA SER A 58 13.848 5.104 9.650 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.150 3.227 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.689 2.567 10.546 1.00 0.00 H new ATOM 0 HG SER A 58 14.668 1.256 8.831 1.00 0.00 H new ATOM 822 N ALA A 59 12.299 4.996 7.172 1.00 0.00 N ATOM 823 CA ALA A 59 12.185 5.183 5.733 1.00 0.00 C ATOM 824 C ALA A 59 12.113 6.665 5.382 1.00 0.00 C ATOM 825 O ALA A 59 11.753 7.494 6.217 1.00 0.00 O ATOM 826 CB ALA A 59 10.964 4.450 5.201 1.00 0.00 C ATOM 0 H ALA A 59 11.525 5.382 7.713 1.00 0.00 H new ATOM 0 HA ALA A 59 13.075 4.766 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.891 4.599 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.057 3.385 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.067 4.840 5.682 1.00 0.00 H new ATOM 832 N SER A 60 12.459 6.993 4.142 1.00 0.00 N ATOM 833 CA SER A 60 12.435 8.377 3.684 1.00 0.00 C ATOM 834 C SER A 60 11.774 8.487 2.315 1.00 0.00 C ATOM 835 O SER A 60 11.777 7.532 1.538 1.00 0.00 O ATOM 836 CB SER A 60 13.854 8.943 3.625 1.00 0.00 C ATOM 837 OG SER A 60 14.230 9.511 4.868 1.00 0.00 O ATOM 0 H SER A 60 12.759 6.320 3.437 1.00 0.00 H new ATOM 0 HA SER A 60 11.850 8.958 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.554 8.151 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.915 9.700 2.843 1.00 0.00 H new ATOM 0 HG SER A 60 15.142 9.864 4.804 1.00 0.00 H new ATOM 843 N ASN A 61 11.210 9.660 2.029 1.00 0.00 N ATOM 844 CA ASN A 61 10.538 9.917 0.753 1.00 0.00 C ATOM 845 C ASN A 61 9.729 8.706 0.292 1.00 0.00 C ATOM 846 O ASN A 61 9.983 8.143 -0.774 1.00 0.00 O ATOM 847 CB ASN A 61 11.555 10.310 -0.323 1.00 0.00 C ATOM 848 CG ASN A 61 12.823 9.481 -0.263 1.00 0.00 C ATOM 849 OD1 ASN A 61 13.862 9.947 0.206 1.00 0.00 O ATOM 850 ND2 ASN A 61 12.745 8.245 -0.740 1.00 0.00 N ATOM 0 H ASN A 61 11.205 10.454 2.669 1.00 0.00 H new ATOM 0 HA ASN A 61 9.847 10.746 0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.099 10.197 -1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 61 11.809 11.364 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.567 7.641 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.864 7.899 -1.120 1.00 0.00 H new ATOM 857 N ILE A 62 8.753 8.314 1.103 1.00 0.00 N ATOM 858 CA ILE A 62 7.903 7.174 0.782 1.00 0.00 C ATOM 859 C ILE A 62 6.752 7.592 -0.126 1.00 0.00 C ATOM 860 O ILE A 62 5.881 8.363 0.276 1.00 0.00 O ATOM 861 CB ILE A 62 7.327 6.521 2.055 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.396 6.433 3.147 1.00 0.00 C ATOM 863 CG2 ILE A 62 6.773 5.140 1.739 1.00 0.00 C ATOM 864 CD1 ILE A 62 7.873 5.897 4.460 1.00 0.00 C ATOM 0 H ILE A 62 8.531 8.769 1.988 1.00 0.00 H new ATOM 0 HA ILE A 62 8.530 6.447 0.265 1.00 0.00 H new ATOM 0 HB ILE A 62 6.512 7.145 2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.207 5.793 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.819 7.424 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.370 4.693 2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.981 5.227 0.996 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.571 4.509 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.684 5.862 5.188 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.082 6.549 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.476 4.893 4.311 1.00 0.00 H new ATOM 876 N THR A 63 6.755 7.082 -1.354 1.00 0.00 N ATOM 877 CA THR A 63 5.710 7.410 -2.318 1.00 0.00 C ATOM 878 C THR A 63 5.254 6.169 -3.079 1.00 0.00 C ATOM 879 O THR A 63 5.986 5.184 -3.176 1.00 0.00 O ATOM 880 CB THR A 63 6.211 8.468 -3.303 1.00 0.00 C ATOM 881 OG1 THR A 63 7.600 8.317 -3.536 1.00 0.00 O ATOM 882 CG2 THR A 63 5.977 9.886 -2.829 1.00 0.00 C ATOM 0 H THR A 63 7.467 6.442 -1.704 1.00 0.00 H new ATOM 0 HA THR A 63 4.858 7.807 -1.766 1.00 0.00 H new ATOM 0 HB THR A 63 5.637 8.308 -4.216 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.902 9.001 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.356 10.586 -3.574 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.909 10.050 -2.686 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.498 10.045 -1.885 1.00 0.00 H new ATOM 890 N LEU A 64 4.041 6.227 -3.619 1.00 0.00 N ATOM 891 CA LEU A 64 3.485 5.109 -4.374 1.00 0.00 C ATOM 892 C LEU A 64 3.504 5.402 -5.871 1.00 0.00 C ATOM 893 O LEU A 64 3.040 6.452 -6.315 1.00 0.00 O ATOM 894 CB LEU A 64 2.053 4.821 -3.918 1.00 0.00 C ATOM 895 CG LEU A 64 1.344 3.698 -4.679 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.523 2.367 -3.961 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.133 4.022 -4.850 1.00 0.00 C ATOM 0 H LEU A 64 3.424 7.036 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 64 4.103 4.231 -4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.070 4.567 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.466 5.734 -4.018 1.00 0.00 H new ATOM 0 HG LEU A 64 1.794 3.614 -5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.012 1.582 -4.518 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.585 2.131 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.101 2.435 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.622 3.213 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.597 4.134 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.239 4.951 -5.410 1.00 0.00 H new ATOM 909 N ASP A 65 4.046 4.466 -6.644 1.00 0.00 N ATOM 910 CA ASP A 65 4.128 4.623 -8.092 1.00 0.00 C ATOM 911 C ASP A 65 3.556 3.403 -8.806 1.00 0.00 C ATOM 912 O ASP A 65 3.548 2.299 -8.262 1.00 0.00 O ATOM 913 CB ASP A 65 5.581 4.846 -8.519 1.00 0.00 C ATOM 914 CG ASP A 65 5.906 6.314 -8.719 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.428 7.142 -7.915 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.637 6.634 -9.679 1.00 0.00 O ATOM 0 H ASP A 65 4.435 3.591 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 65 3.536 5.494 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.247 4.429 -7.764 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.772 4.305 -9.446 1.00 0.00 H new ATOM 921 N ILE A 66 3.080 3.610 -10.030 1.00 0.00 N ATOM 922 CA ILE A 66 2.509 2.530 -10.821 1.00 0.00 C ATOM 923 C ILE A 66 3.605 1.770 -11.567 1.00 0.00 C ATOM 924 O ILE A 66 4.559 2.366 -12.066 1.00 0.00 O ATOM 925 CB ILE A 66 1.469 3.075 -11.828 1.00 0.00 C ATOM 926 CG1 ILE A 66 0.132 3.328 -11.124 1.00 0.00 C ATOM 927 CG2 ILE A 66 1.284 2.120 -13.001 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.629 2.063 -10.785 1.00 0.00 C ATOM 0 H ILE A 66 3.079 4.518 -10.495 1.00 0.00 H new ATOM 0 HA ILE A 66 2.007 1.845 -10.138 1.00 0.00 H new ATOM 0 HB ILE A 66 1.842 4.020 -12.223 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.315 3.888 -10.207 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.491 3.956 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.547 2.530 -13.692 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.234 1.991 -13.519 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.938 1.154 -12.633 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.564 2.323 -10.289 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.845 1.512 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.026 1.443 -10.121 1.00 0.00 H new ATOM 940 N GLU A 67 3.458 0.452 -11.637 1.00 0.00 N ATOM 941 CA GLU A 67 4.432 -0.391 -12.320 1.00 0.00 C ATOM 942 C GLU A 67 3.737 -1.511 -13.088 1.00 0.00 C ATOM 943 O GLU A 67 2.944 -2.265 -12.524 1.00 0.00 O ATOM 944 CB GLU A 67 5.423 -0.981 -11.312 1.00 0.00 C ATOM 945 CG GLU A 67 6.785 -0.307 -11.334 1.00 0.00 C ATOM 946 CD GLU A 67 7.672 -0.822 -12.451 1.00 0.00 C ATOM 947 OE1 GLU A 67 7.131 -1.213 -13.506 1.00 0.00 O ATOM 948 OE2 GLU A 67 8.908 -0.835 -12.269 1.00 0.00 O ATOM 0 H GLU A 67 2.673 -0.056 -11.229 1.00 0.00 H new ATOM 0 HA GLU A 67 4.977 0.228 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.002 -0.899 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.549 -2.044 -11.518 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.652 0.769 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.282 -0.468 -10.377 1.00 0.00 H new ATOM 955 N GLY A 68 4.041 -1.613 -14.378 1.00 0.00 N ATOM 956 CA GLY A 68 3.437 -2.643 -15.202 1.00 0.00 C ATOM 957 C GLY A 68 2.325 -2.106 -16.081 1.00 0.00 C ATOM 958 O GLY A 68 1.788 -1.028 -15.826 1.00 0.00 O ATOM 0 H GLY A 68 4.694 -1.001 -14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.204 -3.098 -15.829 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.041 -3.431 -14.561 1.00 0.00 H new ATOM 962 N ASP A 69 1.981 -2.858 -17.121 1.00 0.00 N ATOM 963 CA ASP A 69 0.926 -2.453 -18.043 1.00 0.00 C ATOM 964 C ASP A 69 -0.459 -2.637 -17.421 1.00 0.00 C ATOM 965 O ASP A 69 -1.464 -2.216 -17.995 1.00 0.00 O ATOM 966 CB ASP A 69 1.024 -3.255 -19.343 1.00 0.00 C ATOM 967 CG ASP A 69 0.853 -2.386 -20.573 1.00 0.00 C ATOM 968 OD1 ASP A 69 -0.306 -2.139 -20.969 1.00 0.00 O ATOM 969 OD2 ASP A 69 1.877 -1.952 -21.141 1.00 0.00 O ATOM 0 H ASP A 69 2.418 -3.752 -17.347 1.00 0.00 H new ATOM 0 HA ASP A 69 1.062 -1.394 -18.261 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.992 -3.755 -19.386 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.262 -4.035 -19.344 1.00 0.00 H new ATOM 974 N ASP A 70 -0.509 -3.266 -16.249 1.00 0.00 N ATOM 975 CA ASP A 70 -1.774 -3.500 -15.562 1.00 0.00 C ATOM 976 C ASP A 70 -2.078 -2.385 -14.560 1.00 0.00 C ATOM 977 O ASP A 70 -3.159 -2.350 -13.973 1.00 0.00 O ATOM 978 CB ASP A 70 -1.743 -4.852 -14.845 1.00 0.00 C ATOM 979 CG ASP A 70 -2.505 -5.923 -15.601 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.752 -5.929 -15.526 1.00 0.00 O ATOM 981 OD2 ASP A 70 -1.855 -6.756 -16.267 1.00 0.00 O ATOM 0 H ASP A 70 0.311 -3.622 -15.757 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.565 -3.507 -16.312 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.708 -5.168 -14.716 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.169 -4.742 -13.848 1.00 0.00 H new ATOM 986 N ASN A 71 -1.122 -1.479 -14.365 1.00 0.00 N ATOM 987 CA ASN A 71 -1.298 -0.373 -13.430 1.00 0.00 C ATOM 988 C ASN A 71 -1.423 -0.890 -12.005 1.00 0.00 C ATOM 989 O ASN A 71 -2.520 -0.964 -11.452 1.00 0.00 O ATOM 990 CB ASN A 71 -2.534 0.450 -13.797 1.00 0.00 C ATOM 991 CG ASN A 71 -2.502 0.931 -15.233 1.00 0.00 C ATOM 992 OD1 ASN A 71 -1.852 1.927 -15.552 1.00 0.00 O ATOM 993 ND2 ASN A 71 -3.205 0.224 -16.110 1.00 0.00 N ATOM 0 H ASN A 71 -0.220 -1.490 -14.841 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.418 0.267 -13.494 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.428 -0.152 -13.638 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.606 1.309 -13.130 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.221 0.500 -17.092 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.729 -0.595 -15.802 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.290 -1.253 -11.419 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.268 -1.770 -10.060 1.00 0.00 C ATOM 1002 C ILE A 72 0.416 -0.789 -9.108 1.00 0.00 C ATOM 1003 O ILE A 72 1.588 -0.457 -9.287 1.00 0.00 O ATOM 1004 CB ILE A 72 0.455 -3.131 -9.986 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.272 -3.916 -11.288 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.065 -3.932 -8.805 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.165 -4.297 -11.570 1.00 0.00 C ATOM 0 H ILE A 72 0.626 -1.198 -11.865 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.306 -1.903 -9.756 1.00 0.00 H new ATOM 0 HB ILE A 72 1.521 -2.950 -9.848 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.650 -3.319 -12.118 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.877 -4.822 -11.244 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.451 -4.891 -8.760 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.116 -3.380 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.135 -4.101 -8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.217 -4.850 -12.508 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.542 -4.920 -10.759 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.772 -3.395 -11.647 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.307 -0.308 -8.077 1.00 0.00 N ATOM 1020 CA PRO A 73 0.243 0.639 -7.100 1.00 0.00 C ATOM 1021 C PRO A 73 1.405 0.048 -6.309 1.00 0.00 C ATOM 1022 O PRO A 73 1.203 -0.743 -5.388 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.940 0.935 -6.171 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.872 -0.212 -6.355 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.711 -0.646 -7.783 1.00 0.00 C ATOM 0 HA PRO A 73 0.649 1.527 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.616 1.018 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.419 1.879 -6.431 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.631 -1.025 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.901 0.084 -6.150 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.903 -1.712 -7.905 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.400 -0.120 -8.445 1.00 0.00 H new ATOM 1033 N VAL A 74 2.622 0.437 -6.675 1.00 0.00 N ATOM 1034 CA VAL A 74 3.817 -0.054 -6.000 1.00 0.00 C ATOM 1035 C VAL A 74 4.448 1.032 -5.134 1.00 0.00 C ATOM 1036 O VAL A 74 4.818 2.097 -5.627 1.00 0.00 O ATOM 1037 CB VAL A 74 4.865 -0.563 -7.007 1.00 0.00 C ATOM 1038 CG1 VAL A 74 6.012 -1.250 -6.284 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.222 -1.501 -8.018 1.00 0.00 C ATOM 0 H VAL A 74 2.806 1.091 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 74 3.501 -0.882 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 74 5.269 0.293 -7.547 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.742 -1.603 -7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.489 -0.544 -5.605 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.628 -2.097 -5.715 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.977 -1.851 -8.722 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.788 -2.355 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.439 -0.970 -8.560 1.00 0.00 H new ATOM 1049 N LEU A 75 4.569 0.753 -3.839 1.00 0.00 N ATOM 1050 CA LEU A 75 5.158 1.703 -2.902 1.00 0.00 C ATOM 1051 C LEU A 75 6.667 1.506 -2.806 1.00 0.00 C ATOM 1052 O LEU A 75 7.140 0.440 -2.415 1.00 0.00 O ATOM 1053 CB LEU A 75 4.520 1.546 -1.520 1.00 0.00 C ATOM 1054 CG LEU A 75 5.042 2.503 -0.446 1.00 0.00 C ATOM 1055 CD1 LEU A 75 4.988 3.943 -0.938 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.241 2.345 0.838 1.00 0.00 C ATOM 0 H LEU A 75 4.267 -0.124 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 75 4.965 2.710 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.444 1.687 -1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.678 0.523 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 75 6.082 2.254 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.363 4.608 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.604 4.046 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.958 4.208 -1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.624 3.032 1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.192 2.569 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.332 1.321 1.200 1.00 0.00 H new ATOM 1068 N ARG A 76 7.417 2.541 -3.170 1.00 0.00 N ATOM 1069 CA ARG A 76 8.875 2.481 -3.131 1.00 0.00 C ATOM 1070 C ARG A 76 9.442 3.495 -2.142 1.00 0.00 C ATOM 1071 O ARG A 76 9.057 4.664 -2.147 1.00 0.00 O ATOM 1072 CB ARG A 76 9.453 2.736 -4.524 1.00 0.00 C ATOM 1073 CG ARG A 76 9.589 1.478 -5.366 1.00 0.00 C ATOM 1074 CD ARG A 76 9.775 1.810 -6.837 1.00 0.00 C ATOM 1075 NE ARG A 76 8.498 1.980 -7.527 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.386 2.202 -8.835 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.470 2.283 -9.596 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.187 2.344 -9.383 1.00 0.00 N ATOM 0 H ARG A 76 7.040 3.431 -3.495 1.00 0.00 H new ATOM 0 HA ARG A 76 9.160 1.482 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.815 3.447 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.433 3.202 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.439 0.893 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.701 0.858 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.362 2.724 -6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.344 1.015 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 76 7.643 1.925 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.395 2.175 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.378 2.453 -10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.351 2.283 -8.803 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.101 2.514 -10.385 1.00 0.00 H new ATOM 1092 N ALA A 77 10.361 3.038 -1.296 1.00 0.00 N ATOM 1093 CA ALA A 77 10.985 3.905 -0.303 1.00 0.00 C ATOM 1094 C ALA A 77 12.223 3.249 0.300 1.00 0.00 C ATOM 1095 O ALA A 77 12.242 2.042 0.540 1.00 0.00 O ATOM 1096 CB ALA A 77 9.988 4.258 0.790 1.00 0.00 C ATOM 0 H ALA A 77 10.690 2.073 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 77 11.299 4.821 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.467 4.905 1.524 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.135 4.776 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.646 3.346 1.279 1.00 0.00 H new ATOM 1102 N GLU A 78 13.254 4.052 0.546 1.00 0.00 N ATOM 1103 CA GLU A 78 14.494 3.547 1.126 1.00 0.00 C ATOM 1104 C GLU A 78 14.302 3.217 2.602 1.00 0.00 C ATOM 1105 O GLU A 78 14.013 4.098 3.411 1.00 0.00 O ATOM 1106 CB GLU A 78 15.615 4.575 0.962 1.00 0.00 C ATOM 1107 CG GLU A 78 15.811 5.037 -0.472 1.00 0.00 C ATOM 1108 CD GLU A 78 16.820 6.163 -0.588 1.00 0.00 C ATOM 1109 OE1 GLU A 78 16.632 7.200 0.084 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.797 6.009 -1.350 1.00 0.00 O ATOM 0 H GLU A 78 13.255 5.054 0.353 1.00 0.00 H new ATOM 0 HA GLU A 78 14.771 2.634 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.397 5.441 1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.548 4.145 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.141 4.194 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.855 5.368 -0.877 1.00 0.00 H new ATOM 1117 N LEU A 79 14.458 1.942 2.947 1.00 0.00 N ATOM 1118 CA LEU A 79 14.294 1.497 4.327 1.00 0.00 C ATOM 1119 C LEU A 79 15.640 1.196 4.976 1.00 0.00 C ATOM 1120 O LEU A 79 16.579 0.762 4.310 1.00 0.00 O ATOM 1121 CB LEU A 79 13.413 0.248 4.378 1.00 0.00 C ATOM 1122 CG LEU A 79 11.935 0.478 4.068 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.262 -0.831 3.682 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.235 1.111 5.262 1.00 0.00 C ATOM 0 H LEU A 79 14.698 1.199 2.290 1.00 0.00 H new ATOM 0 HA LEU A 79 13.816 2.305 4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.806 -0.483 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.494 -0.194 5.371 1.00 0.00 H new ATOM 0 HG LEU A 79 11.860 1.163 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.210 -0.649 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.749 -1.244 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.345 -1.540 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.183 1.269 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.318 0.450 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.702 2.068 5.492 1.00 0.00 H new ATOM 1136 N ASN A 80 15.720 1.415 6.286 1.00 0.00 N ATOM 1137 CA ASN A 80 16.946 1.152 7.032 1.00 0.00 C ATOM 1138 C ASN A 80 16.939 -0.274 7.578 1.00 0.00 C ATOM 1139 O ASN A 80 16.205 -0.579 8.518 1.00 0.00 O ATOM 1140 CB ASN A 80 17.086 2.142 8.187 1.00 0.00 C ATOM 1141 CG ASN A 80 17.760 3.433 7.779 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.955 3.460 7.487 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.990 4.514 7.761 1.00 0.00 N ATOM 0 H ASN A 80 14.951 1.774 6.852 1.00 0.00 H new ATOM 0 HA ASN A 80 17.792 1.271 6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 80 16.098 2.366 8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.659 1.677 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.384 5.417 7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 80 16.004 4.442 8.011 1.00 0.00 H new ATOM 1150 N PRO A 81 17.752 -1.173 6.997 1.00 0.00 N ATOM 1151 CA PRO A 81 17.821 -2.567 7.438 1.00 0.00 C ATOM 1152 C PRO A 81 18.578 -2.724 8.751 1.00 0.00 C ATOM 1153 O PRO A 81 19.266 -1.807 9.198 1.00 0.00 O ATOM 1154 CB PRO A 81 18.575 -3.255 6.302 1.00 0.00 C ATOM 1155 CG PRO A 81 19.442 -2.187 5.733 1.00 0.00 C ATOM 1156 CD PRO A 81 18.663 -0.906 5.869 1.00 0.00 C ATOM 0 HA PRO A 81 16.833 -2.985 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.167 -4.094 6.669 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.890 -3.652 5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.389 -2.127 6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.679 -2.391 4.689 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.317 -0.059 6.074 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.114 -0.672 4.957 1.00 0.00 H new ATOM 1164 N MET A 82 18.448 -3.896 9.360 1.00 0.00 N ATOM 1165 CA MET A 82 19.121 -4.183 10.620 1.00 0.00 C ATOM 1166 C MET A 82 20.610 -4.432 10.396 1.00 0.00 C ATOM 1167 O MET A 82 21.421 -4.263 11.307 1.00 0.00 O ATOM 1168 CB MET A 82 18.484 -5.398 11.297 1.00 0.00 C ATOM 1169 CG MET A 82 18.315 -6.591 10.371 1.00 0.00 C ATOM 1170 SD MET A 82 18.078 -8.137 11.267 1.00 0.00 S ATOM 1171 CE MET A 82 19.333 -9.165 10.508 1.00 0.00 C ATOM 0 H MET A 82 17.881 -4.664 9.001 1.00 0.00 H new ATOM 0 HA MET A 82 19.010 -3.315 11.270 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.098 -5.693 12.148 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.508 -5.114 11.692 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.460 -6.420 9.717 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.194 -6.677 9.732 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.311 -10.158 10.958 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.138 -9.247 9.439 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.314 -8.717 10.665 1.00 0.00 H new ATOM 1181 N ASP A 83 20.964 -4.833 9.178 1.00 0.00 N ATOM 1182 CA ASP A 83 22.356 -5.103 8.838 1.00 0.00 C ATOM 1183 C ASP A 83 23.147 -3.804 8.719 1.00 0.00 C ATOM 1184 O ASP A 83 24.275 -3.706 9.200 1.00 0.00 O ATOM 1185 CB ASP A 83 22.439 -5.887 7.527 1.00 0.00 C ATOM 1186 CG ASP A 83 22.430 -7.387 7.749 1.00 0.00 C ATOM 1187 OD1 ASP A 83 21.329 -7.975 7.784 1.00 0.00 O ATOM 1188 OD2 ASP A 83 23.524 -7.973 7.889 1.00 0.00 O ATOM 0 H ASP A 83 20.307 -4.978 8.412 1.00 0.00 H new ATOM 0 HA ASP A 83 22.792 -5.701 9.639 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.599 -5.612 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.349 -5.606 6.996 1.00 0.00 H new ATOM 1193 N GLY A 84 22.546 -2.808 8.075 1.00 0.00 N ATOM 1194 CA GLY A 84 23.209 -1.529 7.906 1.00 0.00 C ATOM 1195 C GLY A 84 23.053 -0.974 6.504 1.00 0.00 C ATOM 1196 O GLY A 84 22.855 -1.725 5.549 1.00 0.00 O ATOM 0 H GLY A 84 21.613 -2.864 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.803 -0.815 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.269 -1.640 8.133 1.00 0.00 H new ATOM 1200 N ASP A 85 23.144 0.347 6.380 1.00 0.00 N ATOM 1201 CA ASP A 85 23.014 1.010 5.087 1.00 0.00 C ATOM 1202 C ASP A 85 21.599 0.850 4.531 1.00 0.00 C ATOM 1203 O ASP A 85 21.144 -0.269 4.294 1.00 0.00 O ATOM 1204 CB ASP A 85 24.031 0.442 4.093 1.00 0.00 C ATOM 1205 CG ASP A 85 24.180 1.309 2.859 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.795 2.392 2.965 1.00 0.00 O ATOM 1207 OD2 ASP A 85 23.682 0.907 1.787 1.00 0.00 O ATOM 0 H ASP A 85 23.308 0.981 7.162 1.00 0.00 H new ATOM 0 HA ASP A 85 23.211 2.072 5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.999 0.344 4.584 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.723 -0.560 3.795 1.00 0.00 H new ATOM 1212 N PRO A 86 20.881 1.968 4.310 1.00 0.00 N ATOM 1213 CA PRO A 86 19.515 1.931 3.777 1.00 0.00 C ATOM 1214 C PRO A 86 19.447 1.227 2.427 1.00 0.00 C ATOM 1215 O PRO A 86 20.416 1.226 1.668 1.00 0.00 O ATOM 1216 CB PRO A 86 19.139 3.409 3.626 1.00 0.00 C ATOM 1217 CG PRO A 86 20.066 4.142 4.534 1.00 0.00 C ATOM 1218 CD PRO A 86 21.339 3.346 4.559 1.00 0.00 C ATOM 0 HA PRO A 86 18.841 1.376 4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.254 3.741 2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.099 3.581 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.246 5.154 4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.642 4.231 5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.039 3.682 3.794 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.849 3.433 5.518 1.00 0.00 H new ATOM 1226 N VAL A 87 18.298 0.631 2.130 1.00 0.00 N ATOM 1227 CA VAL A 87 18.111 -0.074 0.869 1.00 0.00 C ATOM 1228 C VAL A 87 16.767 0.273 0.239 1.00 0.00 C ATOM 1229 O VAL A 87 15.758 0.394 0.932 1.00 0.00 O ATOM 1230 CB VAL A 87 18.198 -1.600 1.059 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.600 -2.005 1.487 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.166 -2.071 2.072 1.00 0.00 C ATOM 0 H VAL A 87 17.484 0.622 2.744 1.00 0.00 H new ATOM 0 HA VAL A 87 18.914 0.248 0.206 1.00 0.00 H new ATOM 0 HB VAL A 87 17.982 -2.080 0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.643 -3.086 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.315 -1.703 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.848 -1.517 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.242 -3.152 2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.348 -1.584 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.167 -1.815 1.719 1.00 0.00 H new ATOM 1242 N GLU A 88 16.762 0.433 -1.080 1.00 0.00 N ATOM 1243 CA GLU A 88 15.542 0.766 -1.804 1.00 0.00 C ATOM 1244 C GLU A 88 14.534 -0.375 -1.716 1.00 0.00 C ATOM 1245 O GLU A 88 14.746 -1.449 -2.278 1.00 0.00 O ATOM 1246 CB GLU A 88 15.861 1.075 -3.269 1.00 0.00 C ATOM 1247 CG GLU A 88 15.629 2.529 -3.649 1.00 0.00 C ATOM 1248 CD GLU A 88 16.166 2.865 -5.026 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.403 2.944 -5.178 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.349 3.050 -5.953 1.00 0.00 O ATOM 0 H GLU A 88 17.589 0.337 -1.669 1.00 0.00 H new ATOM 0 HA GLU A 88 15.103 1.651 -1.344 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.901 0.818 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.248 0.439 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.561 2.743 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.105 3.174 -2.910 1.00 0.00 H new ATOM 1257 N ALA A 89 13.438 -0.133 -1.006 1.00 0.00 N ATOM 1258 CA ALA A 89 12.397 -1.139 -0.843 1.00 0.00 C ATOM 1259 C ALA A 89 11.181 -0.807 -1.700 1.00 0.00 C ATOM 1260 O ALA A 89 10.791 0.355 -1.817 1.00 0.00 O ATOM 1261 CB ALA A 89 12.001 -1.257 0.623 1.00 0.00 C ATOM 0 H ALA A 89 13.248 0.751 -0.534 1.00 0.00 H new ATOM 0 HA ALA A 89 12.793 -2.098 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.222 -2.012 0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.871 -1.547 1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.626 -0.297 0.977 1.00 0.00 H new ATOM 1267 N ASN A 90 10.584 -1.833 -2.296 1.00 0.00 N ATOM 1268 CA ASN A 90 9.411 -1.647 -3.141 1.00 0.00 C ATOM 1269 C ASN A 90 8.369 -2.728 -2.868 1.00 0.00 C ATOM 1270 O ASN A 90 8.650 -3.920 -2.996 1.00 0.00 O ATOM 1271 CB ASN A 90 9.812 -1.656 -4.622 1.00 0.00 C ATOM 1272 CG ASN A 90 10.120 -3.049 -5.143 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.436 -3.556 -6.031 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.153 -3.673 -4.591 1.00 0.00 N ATOM 0 H ASN A 90 10.893 -2.801 -2.210 1.00 0.00 H new ATOM 0 HA ASN A 90 8.970 -0.679 -2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 90 9.006 -1.222 -5.214 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.687 -1.020 -4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.407 -4.611 -4.901 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.693 -3.215 -3.857 1.00 0.00 H new ATOM 1281 N VAL A 91 7.168 -2.305 -2.493 1.00 0.00 N ATOM 1282 CA VAL A 91 6.090 -3.240 -2.204 1.00 0.00 C ATOM 1283 C VAL A 91 4.815 -2.862 -2.949 1.00 0.00 C ATOM 1284 O VAL A 91 4.423 -1.696 -2.977 1.00 0.00 O ATOM 1285 CB VAL A 91 5.789 -3.306 -0.693 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.266 -1.969 -0.187 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.799 -4.422 -0.394 1.00 0.00 C ATOM 0 H VAL A 91 6.917 -1.323 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 91 6.427 -4.220 -2.542 1.00 0.00 H new ATOM 0 HB VAL A 91 6.719 -3.524 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.061 -2.039 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.014 -1.196 -0.363 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.348 -1.713 -0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.599 -4.453 0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.869 -4.237 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.219 -5.376 -0.713 1.00 0.00 H new ATOM 1297 N ASN A 92 4.170 -3.857 -3.546 1.00 0.00 N ATOM 1298 CA ASN A 92 2.937 -3.633 -4.285 1.00 0.00 C ATOM 1299 C ASN A 92 1.730 -3.810 -3.367 1.00 0.00 C ATOM 1300 O ASN A 92 1.394 -4.927 -2.978 1.00 0.00 O ATOM 1301 CB ASN A 92 2.864 -4.597 -5.478 1.00 0.00 C ATOM 1302 CG ASN A 92 1.444 -4.911 -5.911 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.547 -4.077 -5.796 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.236 -6.123 -6.412 1.00 0.00 N ATOM 0 H ASN A 92 4.482 -4.828 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 92 2.926 -2.611 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.406 -4.164 -6.319 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.370 -5.526 -5.217 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.302 -6.394 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.010 -6.783 -6.489 1.00 0.00 H new ATOM 1311 N LEU A 93 1.080 -2.700 -3.024 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.090 -2.737 -2.150 1.00 0.00 C ATOM 1313 C LEU A 93 -1.091 -3.787 -2.625 1.00 0.00 C ATOM 1314 O LEU A 93 -1.706 -4.484 -1.820 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.758 -1.361 -2.100 1.00 0.00 C ATOM 1316 CG LEU A 93 0.177 -0.201 -1.754 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.602 1.101 -1.652 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.917 -0.483 -0.455 1.00 0.00 C ATOM 0 H LEU A 93 1.343 -1.766 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 93 0.243 -3.007 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.217 -1.161 -3.068 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.563 -1.391 -1.365 1.00 0.00 H new ATOM 0 HG LEU A 93 0.911 -0.100 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.080 1.915 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.087 1.311 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.358 1.012 -0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.578 0.352 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.197 -0.611 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.507 -1.393 -0.563 1.00 0.00 H new ATOM 1330 N SER A 94 -1.237 -3.901 -3.940 1.00 0.00 N ATOM 1331 CA SER A 94 -2.152 -4.871 -4.531 1.00 0.00 C ATOM 1332 C SER A 94 -1.782 -6.301 -4.134 1.00 0.00 C ATOM 1333 O SER A 94 -2.564 -7.228 -4.332 1.00 0.00 O ATOM 1334 CB SER A 94 -2.153 -4.739 -6.054 1.00 0.00 C ATOM 1335 OG SER A 94 -2.158 -3.378 -6.447 1.00 0.00 O ATOM 0 H SER A 94 -0.732 -3.332 -4.619 1.00 0.00 H new ATOM 0 HA SER A 94 -3.151 -4.660 -4.150 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.275 -5.237 -6.466 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.028 -5.243 -6.465 1.00 0.00 H new ATOM 0 HG SER A 94 -1.247 -3.020 -6.397 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.585 -6.479 -3.586 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.125 -7.800 -3.176 1.00 0.00 C ATOM 1343 C GLU A 95 -1.027 -8.392 -2.098 1.00 0.00 C ATOM 1344 O GLU A 95 -1.412 -9.559 -2.172 1.00 0.00 O ATOM 1345 CB GLU A 95 1.311 -7.728 -2.657 1.00 0.00 C ATOM 1346 CG GLU A 95 2.353 -7.612 -3.758 1.00 0.00 C ATOM 1347 CD GLU A 95 3.381 -8.726 -3.709 1.00 0.00 C ATOM 1348 OE1 GLU A 95 2.982 -9.894 -3.514 1.00 0.00 O ATOM 1349 OE2 GLU A 95 4.584 -8.431 -3.866 1.00 0.00 O ATOM 0 H GLU A 95 0.083 -5.727 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.162 -8.447 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.404 -6.872 -1.989 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.519 -8.619 -2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.855 -7.625 -4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.860 -6.651 -3.673 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.353 -7.588 -1.090 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.198 -8.050 0.006 1.00 0.00 C ATOM 1358 C ARG A 96 -3.189 -6.974 0.440 1.00 0.00 C ATOM 1359 O ARG A 96 -3.447 -6.802 1.631 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.334 -8.464 1.198 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.412 -9.636 0.905 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.963 -10.932 1.475 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.557 -11.134 2.864 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.964 -12.155 3.614 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.786 -13.070 3.114 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.547 -12.263 4.868 1.00 0.00 N ATOM 0 H ARG A 96 -1.047 -6.618 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.764 -8.910 -0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.734 -7.611 1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.984 -8.724 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.281 -9.737 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.573 -9.440 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.051 -10.922 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.617 -11.770 0.870 1.00 0.00 H new ATOM 0 HE ARG A 96 0.075 -10.452 3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.109 -12.993 2.150 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.094 -13.850 3.694 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.085 -11.564 5.257 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.859 -13.045 5.443 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.750 -6.257 -0.527 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.719 -5.211 -0.227 1.00 0.00 C ATOM 1382 C ILE A 97 -6.017 -5.452 -0.987 1.00 0.00 C ATOM 1383 O ILE A 97 -6.035 -5.452 -2.215 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.159 -3.816 -0.581 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.987 -3.469 0.341 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.246 -2.752 -0.483 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.391 -3.254 1.784 1.00 0.00 C ATOM 0 H ILE A 97 -3.552 -6.380 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.920 -5.242 0.844 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.802 -3.841 -1.611 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.250 -4.271 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.500 -2.567 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.826 -1.779 -0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.053 -2.991 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.637 -2.724 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.509 -3.012 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.105 -2.432 1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.851 -4.163 2.172 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.102 -5.652 -0.251 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.385 -5.895 -0.881 1.00 0.00 C ATOM 1401 C GLY A 98 -9.419 -4.842 -0.533 1.00 0.00 C ATOM 1402 O GLY A 98 -9.129 -3.894 0.197 1.00 0.00 O ATOM 0 H GLY A 98 -7.117 -5.650 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.254 -5.925 -1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.754 -6.875 -0.577 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.629 -5.013 -1.055 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.715 -4.076 -0.796 1.00 0.00 C ATOM 1408 C ASN A 99 -12.986 -4.820 -0.400 1.00 0.00 C ATOM 1409 O ASN A 99 -13.696 -5.354 -1.252 1.00 0.00 O ATOM 1410 CB ASN A 99 -11.979 -3.213 -2.031 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.256 -4.043 -3.269 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.479 -4.930 -3.623 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.369 -3.758 -3.936 1.00 0.00 N ATOM 0 H ASN A 99 -10.882 -5.793 -1.661 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.418 -3.431 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.829 -2.559 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.117 -2.571 -2.213 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.608 -4.283 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.985 -3.014 -3.607 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.265 -4.856 0.899 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.448 -5.540 1.409 1.00 0.00 C ATOM 1422 C ASP A 100 -15.622 -4.575 1.546 1.00 0.00 C ATOM 1423 O ASP A 100 -15.561 -3.611 2.309 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.145 -6.185 2.763 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.292 -7.040 3.265 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -15.407 -8.200 2.818 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -16.074 -6.549 4.106 1.00 0.00 O ATOM 0 H ASP A 100 -12.688 -4.419 1.618 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.722 -6.317 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.248 -6.799 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.929 -5.405 3.494 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.690 -4.843 0.801 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.882 -4.001 0.839 1.00 0.00 C ATOM 1434 C CYS A 101 -17.535 -2.550 0.521 1.00 0.00 C ATOM 1435 O CYS A 101 -18.186 -1.625 1.008 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.549 -4.089 2.212 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.264 -3.516 2.238 1.00 0.00 S ATOM 0 H CYS A 101 -16.755 -5.637 0.163 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.576 -4.363 0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.518 -5.124 2.554 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -17.970 -3.501 2.924 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.338 -2.342 1.685 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.505 -2.359 -0.297 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.089 -1.018 -0.663 1.00 0.00 C ATOM 1445 C GLY A 102 -15.077 -0.434 0.306 1.00 0.00 C ATOM 1446 O GLY A 102 -14.474 0.604 0.029 1.00 0.00 O ATOM 0 H GLY A 102 -15.952 -3.108 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.659 -1.036 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.964 -0.369 -0.704 1.00 0.00 H new ATOM 1450 N THR A 103 -14.887 -1.098 1.443 1.00 0.00 N ATOM 1451 CA THR A 103 -13.941 -0.634 2.450 1.00 0.00 C ATOM 1452 C THR A 103 -12.551 -1.205 2.193 1.00 0.00 C ATOM 1453 O THR A 103 -12.410 -2.316 1.682 1.00 0.00 O ATOM 1454 CB THR A 103 -14.416 -1.029 3.849 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.739 -0.579 4.075 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.546 -0.473 4.955 1.00 0.00 C ATOM 0 H THR A 103 -15.376 -1.959 1.689 1.00 0.00 H new ATOM 0 HA THR A 103 -13.886 0.453 2.387 1.00 0.00 H new ATOM 0 HB THR A 103 -14.360 -2.117 3.877 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.025 -0.843 4.974 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.938 -0.791 5.921 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.527 -0.843 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.545 0.616 4.904 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.526 -0.438 2.550 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.146 -0.868 2.358 1.00 0.00 C ATOM 1466 C LEU A 104 -9.750 -1.910 3.400 1.00 0.00 C ATOM 1467 O LEU A 104 -9.891 -1.685 4.602 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.203 0.337 2.431 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.482 0.682 1.125 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.373 -0.320 0.848 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.465 0.731 -0.040 1.00 0.00 C ATOM 0 H LEU A 104 -11.625 0.484 2.974 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.064 -1.324 1.371 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.776 1.207 2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.455 0.146 3.201 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.035 1.670 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.871 -0.059 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.652 -0.300 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.799 -1.320 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.930 0.978 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.946 -0.241 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.222 1.491 0.154 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.254 -3.049 2.930 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.837 -4.126 3.820 1.00 0.00 C ATOM 1485 C ILE A 105 -7.496 -4.710 3.386 1.00 0.00 C ATOM 1486 O ILE A 105 -6.993 -4.399 2.306 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.886 -5.254 3.870 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.077 -5.872 2.483 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.209 -4.723 4.404 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.129 -7.384 2.499 1.00 0.00 C ATOM 0 H ILE A 105 -9.131 -3.250 1.938 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.736 -3.692 4.815 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.527 -6.031 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.000 -5.489 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.261 -5.551 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.940 -5.531 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.063 -4.328 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.572 -3.929 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.266 -7.754 1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.197 -7.776 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -10.962 -7.713 3.120 1.00 0.00 H new ATOM 1502 N PHE A 106 -6.922 -5.557 4.234 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.641 -6.184 3.939 1.00 0.00 C ATOM 1504 C PHE A 106 -5.749 -7.705 4.041 1.00 0.00 C ATOM 1505 O PHE A 106 -6.384 -8.232 4.954 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.565 -5.652 4.896 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.430 -6.607 5.139 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -2.323 -6.617 4.307 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -3.476 -7.495 6.200 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -1.281 -7.496 4.529 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -2.437 -8.378 6.428 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.338 -8.378 5.591 1.00 0.00 C ATOM 0 H PHE A 106 -7.325 -5.825 5.132 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.356 -5.934 2.917 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.163 -4.723 4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.032 -5.409 5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -2.274 -5.930 3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.333 -7.498 6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.423 -7.494 3.873 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -2.484 -9.066 7.259 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.525 -9.066 5.767 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.124 -8.402 3.097 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.149 -9.860 3.081 1.00 0.00 C ATOM 1524 C LEU A 107 -4.365 -10.430 4.259 1.00 0.00 C ATOM 1525 O LEU A 107 -3.135 -10.483 4.231 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.569 -10.385 1.766 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.584 -10.565 0.636 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -6.098 -9.216 0.160 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.963 -11.339 -0.517 1.00 0.00 C ATOM 0 H LEU A 107 -4.594 -7.981 2.334 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.187 -10.183 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.792 -9.699 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.087 -11.344 1.957 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.429 -11.137 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.819 -9.364 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.580 -8.697 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.264 -8.618 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.698 -11.459 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.100 -10.793 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.645 -12.321 -0.167 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.085 -10.856 5.292 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.456 -11.423 6.479 1.00 0.00 C ATOM 1543 C ALA A 108 -4.863 -12.879 6.673 1.00 0.00 C ATOM 1544 O ALA A 108 -6.014 -13.222 6.330 1.00 0.00 O ATOM 1545 CB ALA A 108 -4.817 -10.603 7.709 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.027 -13.666 7.166 1.00 0.00 O ATOM 0 H ALA A 108 -6.104 -10.819 5.331 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.376 -11.391 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.341 -11.037 8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.470 -9.578 7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.899 -10.606 7.844 1.00 0.00 H new