USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl -168:sc= -0.299 (180deg=-0.836) USER MOD Set 1.2: A 96 MET CE :methyl -160:sc= -1.48 (180deg=-2.45) USER MOD Set 2.1: A 63 CYS SG : rot 90:sc= 1.38 USER MOD Set 2.2: A 90 CYS SG : rot 180:sc= 1.13 USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0.0455 USER MOD Set 3.2: A 50 THR OG1 : rot -10:sc= 0.0113 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.389 F(o=-4.9!,f=-0.39) USER MOD Single : A 33 TYR OH : rot 171:sc= -2.68! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0554 K(o=-0.055,f=-6.3!) USER MOD Single : A 41 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 43 TYR OH : rot 152:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 150:sc= 1.35 USER MOD Single : A 52 ASN : amide:sc=-0.00256 X(o=-0.0026,f=0) USER MOD Single : A 53 THR OG1 : rot 96:sc= 0.164 USER MOD Single : A 56 SER OG : rot -0:sc= 1.2 USER MOD Single : A 58 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.3!) USER MOD Single : A 65 THR OG1 : rot 148:sc= 0.416 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 166:sc= -1.02 (180deg=-1.14) USER MOD Single : A 75 ASN : amide:sc= 0.639 K(o=0.64,f=-3.5!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -50:sc= 0.767 USER MOD Single : A 83 ASN :FLIP amide:sc= 0.164 F(o=-1.3,f=0.16) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.869 X(o=-0.87,f=-0.4) USER MOD Single : A 108 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.5) USER MOD Single : A 109 GLN : amide:sc= 0.441 X(o=0.44,f=0) USER MOD Single : A 112 ASN :FLIP amide:sc= -0.367 F(o=-1.1,f=-0.37) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.48) USER MOD Single : A 120 MET CE :methyl -170:sc= -0.289 (180deg=-0.383) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -8.434 -13.571 -10.655 1.00 0.00 N ATOM 9 CA GLN A 26 -8.484 -13.657 -9.201 1.00 0.00 C ATOM 10 C GLN A 26 -8.189 -15.095 -8.816 1.00 0.00 C ATOM 11 O GLN A 26 -8.590 -16.035 -9.503 1.00 0.00 O ATOM 12 CB GLN A 26 -9.848 -13.157 -8.675 1.00 0.00 C ATOM 13 CG GLN A 26 -10.530 -13.924 -7.524 1.00 0.00 C ATOM 14 CD GLN A 26 -9.838 -13.998 -6.159 1.00 0.00 C ATOM 15 OE1 GLN A 26 -8.803 -13.240 -5.849 1.00 0.00 O flip ATOM 16 NE2 GLN A 26 -10.241 -14.799 -5.318 1.00 0.00 N flip ATOM 0 HA GLN A 26 -7.737 -13.011 -8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.718 -12.124 -8.351 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.540 -13.142 -9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.512 -13.478 -7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.694 -14.947 -7.864 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.039 -15.399 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.778 -14.863 -4.412 1.00 0.00 H new ATOM 25 N GLU A 27 -7.473 -15.259 -7.714 1.00 0.00 N ATOM 26 CA GLU A 27 -6.958 -16.532 -7.246 1.00 0.00 C ATOM 27 C GLU A 27 -6.460 -16.446 -5.808 1.00 0.00 C ATOM 28 O GLU A 27 -5.666 -17.277 -5.363 1.00 0.00 O ATOM 29 CB GLU A 27 -5.863 -17.000 -8.205 1.00 0.00 C ATOM 30 CG GLU A 27 -4.819 -15.917 -8.536 1.00 0.00 C ATOM 31 CD GLU A 27 -3.906 -16.522 -9.589 1.00 0.00 C ATOM 32 OE1 GLU A 27 -4.369 -16.651 -10.742 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.825 -17.035 -9.224 1.00 0.00 O ATOM 0 H GLU A 27 -7.227 -14.481 -7.102 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.763 -17.267 -7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.355 -17.860 -7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.326 -17.340 -9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.300 -15.013 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.255 -15.634 -7.647 1.00 0.00 H new ATOM 41 N LEU A 28 -6.911 -15.436 -5.076 1.00 0.00 N ATOM 42 CA LEU A 28 -6.568 -15.232 -3.688 1.00 0.00 C ATOM 43 C LEU A 28 -7.741 -14.528 -3.004 1.00 0.00 C ATOM 44 O LEU A 28 -7.908 -13.331 -3.219 1.00 0.00 O ATOM 45 CB LEU A 28 -5.240 -14.459 -3.574 1.00 0.00 C ATOM 46 CG LEU A 28 -4.065 -15.271 -3.009 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.867 -14.347 -2.768 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.403 -15.911 -1.666 1.00 0.00 C ATOM 0 H LEU A 28 -7.540 -14.723 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.403 -16.182 -3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.966 -14.090 -4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.398 -13.586 -2.940 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.842 -16.048 -3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.035 -14.927 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.568 -13.886 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.144 -13.570 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.543 -16.475 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.655 -15.133 -0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.253 -16.583 -1.787 1.00 0.00 H new ATOM 60 N PRO A 29 -8.623 -15.250 -2.297 1.00 0.00 N ATOM 61 CA PRO A 29 -9.862 -14.682 -1.774 1.00 0.00 C ATOM 62 C PRO A 29 -9.566 -13.704 -0.621 1.00 0.00 C ATOM 63 O PRO A 29 -8.525 -13.853 0.023 1.00 0.00 O ATOM 64 CB PRO A 29 -10.694 -15.888 -1.336 1.00 0.00 C ATOM 65 CG PRO A 29 -9.654 -16.965 -1.014 1.00 0.00 C ATOM 66 CD PRO A 29 -8.469 -16.642 -1.921 1.00 0.00 C ATOM 0 HA PRO A 29 -10.404 -14.090 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.307 -15.654 -0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.372 -16.212 -2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.367 -16.937 0.037 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.044 -17.964 -1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.524 -16.804 -1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.464 -17.286 -2.801 1.00 0.00 H new ATOM 74 N PRO A 30 -10.449 -12.712 -0.370 1.00 0.00 N ATOM 75 CA PRO A 30 -10.194 -11.563 0.501 1.00 0.00 C ATOM 76 C PRO A 30 -10.040 -11.938 1.986 1.00 0.00 C ATOM 77 O PRO A 30 -10.264 -13.084 2.373 1.00 0.00 O ATOM 78 CB PRO A 30 -11.332 -10.583 0.234 1.00 0.00 C ATOM 79 CG PRO A 30 -12.487 -11.478 -0.199 1.00 0.00 C ATOM 80 CD PRO A 30 -11.788 -12.620 -0.932 1.00 0.00 C ATOM 0 HA PRO A 30 -9.230 -11.109 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.583 -10.009 1.126 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.068 -9.866 -0.543 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.059 -11.839 0.656 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.184 -10.949 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.330 -13.556 -0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.747 -12.426 -2.004 1.00 0.00 H new ATOM 88 N GLY A 31 -9.630 -10.985 2.836 1.00 0.00 N ATOM 89 CA GLY A 31 -9.275 -11.284 4.225 1.00 0.00 C ATOM 90 C GLY A 31 -8.145 -10.391 4.733 1.00 0.00 C ATOM 91 O GLY A 31 -8.116 -9.208 4.410 1.00 0.00 O ATOM 0 H GLY A 31 -9.537 -10.001 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.152 -11.154 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.975 -12.329 4.305 1.00 0.00 H new ATOM 95 N THR A 32 -7.236 -10.927 5.553 1.00 0.00 N ATOM 96 CA THR A 32 -6.027 -10.245 6.020 1.00 0.00 C ATOM 97 C THR A 32 -4.853 -11.227 5.968 1.00 0.00 C ATOM 98 O THR A 32 -5.068 -12.439 5.887 1.00 0.00 O ATOM 99 CB THR A 32 -6.280 -9.632 7.414 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.277 -8.709 7.768 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.345 -10.683 8.526 1.00 0.00 C ATOM 0 H THR A 32 -7.324 -11.874 5.920 1.00 0.00 H new ATOM 0 HA THR A 32 -5.765 -9.409 5.372 1.00 0.00 H new ATOM 0 HB THR A 32 -7.247 -9.136 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.470 -8.340 8.655 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.525 -10.191 9.482 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.156 -11.382 8.319 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.401 -11.226 8.569 1.00 0.00 H new ATOM 109 N TYR A 33 -3.624 -10.715 5.975 1.00 0.00 N ATOM 110 CA TYR A 33 -2.372 -11.475 5.924 1.00 0.00 C ATOM 111 C TYR A 33 -1.467 -11.016 7.066 1.00 0.00 C ATOM 112 O TYR A 33 -1.909 -10.232 7.898 1.00 0.00 O ATOM 113 CB TYR A 33 -1.702 -11.321 4.547 1.00 0.00 C ATOM 114 CG TYR A 33 -1.441 -9.900 4.055 1.00 0.00 C ATOM 115 CD1 TYR A 33 -0.508 -9.039 4.661 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.107 -9.427 2.917 1.00 0.00 C ATOM 117 CE1 TYR A 33 -0.210 -7.812 4.046 1.00 0.00 C ATOM 118 CE2 TYR A 33 -1.834 -8.191 2.336 1.00 0.00 C ATOM 119 CZ TYR A 33 -0.806 -7.416 2.841 1.00 0.00 C ATOM 120 OH TYR A 33 -0.522 -6.227 2.260 1.00 0.00 O ATOM 0 H TYR A 33 -3.464 -9.709 6.019 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.573 -12.538 6.054 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.749 -11.850 4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.326 -11.825 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.027 -9.318 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.867 -10.050 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.502 -7.151 4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.420 -7.841 1.499 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.914 -6.200 1.362 1.00 0.00 H new ATOM 130 N ARG A 34 -0.198 -11.434 7.098 1.00 0.00 N ATOM 131 CA ARG A 34 0.867 -10.845 7.909 1.00 0.00 C ATOM 132 C ARG A 34 2.140 -10.804 7.073 1.00 0.00 C ATOM 133 O ARG A 34 2.604 -11.863 6.655 1.00 0.00 O ATOM 134 CB ARG A 34 1.054 -11.690 9.177 1.00 0.00 C ATOM 135 CG ARG A 34 2.354 -11.424 9.955 1.00 0.00 C ATOM 136 CD ARG A 34 2.526 -9.968 10.408 1.00 0.00 C ATOM 137 NE ARG A 34 2.429 -9.829 11.869 1.00 0.00 N ATOM 138 CZ ARG A 34 3.365 -10.187 12.755 1.00 0.00 C ATOM 139 NH1 ARG A 34 4.572 -10.591 12.381 1.00 0.00 N ATOM 140 NH2 ARG A 34 3.069 -10.135 14.041 1.00 0.00 N ATOM 0 H ARG A 34 0.126 -12.222 6.538 1.00 0.00 H new ATOM 0 HA ARG A 34 0.616 -9.829 8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.209 -11.511 9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.024 -12.744 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.379 -12.071 10.832 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.202 -11.701 9.329 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.494 -9.596 10.072 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.765 -9.349 9.934 1.00 0.00 H new ATOM 0 HE ARG A 34 1.570 -9.423 12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.811 -10.636 11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.262 -10.857 13.084 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.144 -9.827 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.766 -10.403 14.736 1.00 0.00 H new ATOM 154 N VAL A 35 2.694 -9.617 6.826 1.00 0.00 N ATOM 155 CA VAL A 35 3.899 -9.420 6.020 1.00 0.00 C ATOM 156 C VAL A 35 4.586 -8.145 6.448 1.00 0.00 C ATOM 157 O VAL A 35 4.046 -7.372 7.242 1.00 0.00 O ATOM 158 CB VAL A 35 3.526 -9.321 4.524 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.760 -10.511 3.935 1.00 0.00 C ATOM 160 CG2 VAL A 35 2.730 -8.044 4.278 1.00 0.00 C ATOM 0 H VAL A 35 2.308 -8.745 7.189 1.00 0.00 H new ATOM 0 HA VAL A 35 4.568 -10.268 6.167 1.00 0.00 H new ATOM 0 HB VAL A 35 4.484 -9.317 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.555 -10.326 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.360 -11.415 4.035 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.819 -10.639 4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.468 -7.976 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.820 -8.062 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.332 -7.180 4.558 1.00 0.00 H new ATOM 170 N ASP A 36 5.734 -7.899 5.841 1.00 0.00 N ATOM 171 CA ASP A 36 6.472 -6.677 6.005 1.00 0.00 C ATOM 172 C ASP A 36 6.031 -5.774 4.858 1.00 0.00 C ATOM 173 O ASP A 36 6.206 -6.133 3.694 1.00 0.00 O ATOM 174 CB ASP A 36 7.983 -6.908 5.965 1.00 0.00 C ATOM 175 CG ASP A 36 8.575 -8.083 6.739 1.00 0.00 C ATOM 176 OD1 ASP A 36 9.617 -8.605 6.294 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.135 -8.386 7.874 1.00 0.00 O ATOM 0 H ASP A 36 6.181 -8.563 5.209 1.00 0.00 H new ATOM 0 HA ASP A 36 6.270 -6.230 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.270 -7.025 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.464 -6.000 6.328 1.00 0.00 H new ATOM 183 N ILE A 37 5.416 -4.637 5.163 1.00 0.00 N ATOM 184 CA ILE A 37 5.215 -3.533 4.226 1.00 0.00 C ATOM 185 C ILE A 37 6.626 -3.145 3.781 1.00 0.00 C ATOM 186 O ILE A 37 7.435 -2.788 4.636 1.00 0.00 O ATOM 187 CB ILE A 37 4.478 -2.407 4.996 1.00 0.00 C ATOM 188 CG1 ILE A 37 3.023 -2.795 5.343 1.00 0.00 C ATOM 189 CG2 ILE A 37 4.426 -1.076 4.251 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.613 -2.279 6.727 1.00 0.00 C ATOM 0 H ILE A 37 5.034 -4.451 6.090 1.00 0.00 H new ATOM 0 HA ILE A 37 4.610 -3.766 3.350 1.00 0.00 H new ATOM 0 HB ILE A 37 5.073 -2.282 5.900 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.349 -2.389 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.919 -3.880 5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.894 -0.341 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.440 -0.725 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.906 -1.210 3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.584 -2.572 6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.271 -2.705 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.692 -1.192 6.748 1.00 0.00 H new ATOM 202 N TYR A 38 6.950 -3.227 2.488 1.00 0.00 N ATOM 203 CA TYR A 38 8.223 -2.758 1.952 1.00 0.00 C ATOM 204 C TYR A 38 7.899 -1.764 0.846 1.00 0.00 C ATOM 205 O TYR A 38 7.483 -2.172 -0.239 1.00 0.00 O ATOM 206 CB TYR A 38 9.090 -3.908 1.399 1.00 0.00 C ATOM 207 CG TYR A 38 10.174 -4.380 2.346 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.835 -5.154 3.463 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.520 -4.041 2.114 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.821 -5.521 4.399 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.513 -4.405 3.038 1.00 0.00 C ATOM 212 CZ TYR A 38 12.160 -5.117 4.204 1.00 0.00 C ATOM 213 OH TYR A 38 13.128 -5.467 5.094 1.00 0.00 O ATOM 0 H TYR A 38 6.330 -3.624 1.782 1.00 0.00 H new ATOM 0 HA TYR A 38 8.805 -2.298 2.750 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.443 -4.751 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.553 -3.583 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.813 -5.471 3.607 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.791 -3.498 1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.554 -6.110 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.544 -4.141 2.857 1.00 0.00 H new ATOM 0 HH TYR A 38 13.989 -5.104 4.800 1.00 0.00 H new ATOM 223 N LEU A 39 8.058 -0.464 1.117 1.00 0.00 N ATOM 224 CA LEU A 39 7.955 0.574 0.101 1.00 0.00 C ATOM 225 C LEU A 39 9.311 0.726 -0.563 1.00 0.00 C ATOM 226 O LEU A 39 10.282 0.988 0.147 1.00 0.00 O ATOM 227 CB LEU A 39 7.596 1.918 0.748 1.00 0.00 C ATOM 228 CG LEU A 39 7.221 3.001 -0.267 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.741 2.864 -0.616 1.00 0.00 C ATOM 230 CD2 LEU A 39 7.441 4.385 0.331 1.00 0.00 C ATOM 0 H LEU A 39 8.262 -0.108 2.051 1.00 0.00 H new ATOM 0 HA LEU A 39 7.185 0.296 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.763 1.771 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.442 2.264 1.342 1.00 0.00 H new ATOM 0 HG LEU A 39 7.843 2.882 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.465 3.632 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.558 1.879 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.142 2.983 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.170 5.145 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.820 4.500 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.490 4.501 0.604 1.00 0.00 H new ATOM 242 N ASN A 40 9.380 0.660 -1.893 1.00 0.00 N ATOM 243 CA ASN A 40 10.566 1.030 -2.677 1.00 0.00 C ATOM 244 C ASN A 40 11.844 0.403 -2.109 1.00 0.00 C ATOM 245 O ASN A 40 12.905 1.036 -2.078 1.00 0.00 O ATOM 246 CB ASN A 40 10.693 2.567 -2.813 1.00 0.00 C ATOM 247 CG ASN A 40 9.443 3.292 -3.304 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.614 2.742 -4.019 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.239 4.533 -2.892 1.00 0.00 N ATOM 0 H ASN A 40 8.601 0.342 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 40 10.433 0.623 -3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.972 2.978 -1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.511 2.787 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.393 5.030 -3.170 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.928 4.992 -2.297 1.00 0.00 H new ATOM 256 N ASN A 41 11.744 -0.861 -1.689 1.00 0.00 N ATOM 257 CA ASN A 41 12.809 -1.720 -1.180 1.00 0.00 C ATOM 258 C ASN A 41 13.271 -1.303 0.217 1.00 0.00 C ATOM 259 O ASN A 41 14.451 -1.450 0.556 1.00 0.00 O ATOM 260 CB ASN A 41 13.964 -1.864 -2.183 1.00 0.00 C ATOM 261 CG ASN A 41 13.479 -2.159 -3.590 1.00 0.00 C ATOM 262 OD1 ASN A 41 13.196 -3.293 -3.958 1.00 0.00 O ATOM 263 ND2 ASN A 41 13.352 -1.141 -4.416 1.00 0.00 N ATOM 0 H ASN A 41 10.846 -1.345 -1.698 1.00 0.00 H new ATOM 0 HA ASN A 41 12.387 -2.718 -1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.551 -0.946 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.627 -2.664 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.017 -1.295 -5.367 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.589 -0.199 -4.105 1.00 0.00 H new ATOM 270 N GLY A 42 12.351 -0.789 1.040 1.00 0.00 N ATOM 271 CA GLY A 42 12.580 -0.514 2.447 1.00 0.00 C ATOM 272 C GLY A 42 11.332 -0.812 3.269 1.00 0.00 C ATOM 273 O GLY A 42 10.234 -0.417 2.879 1.00 0.00 O ATOM 0 H GLY A 42 11.408 -0.550 0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.412 -1.118 2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.865 0.530 2.576 1.00 0.00 H new ATOM 277 N TYR A 43 11.511 -1.493 4.398 1.00 0.00 N ATOM 278 CA TYR A 43 10.515 -1.825 5.413 1.00 0.00 C ATOM 279 C TYR A 43 9.796 -0.553 5.867 1.00 0.00 C ATOM 280 O TYR A 43 10.448 0.445 6.195 1.00 0.00 O ATOM 281 CB TYR A 43 11.293 -2.411 6.601 1.00 0.00 C ATOM 282 CG TYR A 43 10.530 -2.531 7.902 1.00 0.00 C ATOM 283 CD1 TYR A 43 10.534 -1.472 8.833 1.00 0.00 C ATOM 284 CD2 TYR A 43 9.885 -3.736 8.221 1.00 0.00 C ATOM 285 CE1 TYR A 43 9.908 -1.620 10.082 1.00 0.00 C ATOM 286 CE2 TYR A 43 9.283 -3.897 9.476 1.00 0.00 C ATOM 287 CZ TYR A 43 9.299 -2.848 10.418 1.00 0.00 C ATOM 288 OH TYR A 43 8.774 -3.038 11.653 1.00 0.00 O ATOM 0 H TYR A 43 12.431 -1.856 4.647 1.00 0.00 H new ATOM 0 HA TYR A 43 9.773 -2.524 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.652 -3.401 6.321 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.172 -1.791 6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.022 -0.541 8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.853 -4.539 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.893 -0.798 10.782 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.803 -4.832 9.724 1.00 0.00 H new ATOM 0 HH TYR A 43 8.046 -3.692 11.602 1.00 0.00 H new ATOM 298 N MET A 44 8.467 -0.597 5.968 1.00 0.00 N ATOM 299 CA MET A 44 7.649 0.465 6.550 1.00 0.00 C ATOM 300 C MET A 44 6.559 -0.167 7.428 1.00 0.00 C ATOM 301 O MET A 44 5.372 0.118 7.268 1.00 0.00 O ATOM 302 CB MET A 44 7.073 1.429 5.493 1.00 0.00 C ATOM 303 CG MET A 44 7.959 1.788 4.291 1.00 0.00 C ATOM 304 SD MET A 44 8.483 3.515 4.133 1.00 0.00 S ATOM 305 CE MET A 44 9.841 3.518 5.328 1.00 0.00 C ATOM 0 H MET A 44 7.918 -1.391 5.639 1.00 0.00 H new ATOM 0 HA MET A 44 8.287 1.091 7.174 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.150 0.993 5.110 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.802 2.356 5.998 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.853 1.166 4.333 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.423 1.513 3.383 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.289 4.511 5.367 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.459 3.254 6.314 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.594 2.791 5.024 1.00 0.00 H new ATOM 315 N ALA A 45 7.017 -0.997 8.370 1.00 0.00 N ATOM 316 CA ALA A 45 6.308 -1.791 9.390 1.00 0.00 C ATOM 317 C ALA A 45 6.091 -3.237 8.939 1.00 0.00 C ATOM 318 O ALA A 45 6.146 -3.563 7.753 1.00 0.00 O ATOM 319 CB ALA A 45 4.973 -1.157 9.827 1.00 0.00 C ATOM 0 H ALA A 45 8.022 -1.150 8.448 1.00 0.00 H new ATOM 0 HA ALA A 45 6.962 -1.797 10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.499 -1.788 10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.160 -0.169 10.248 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.314 -1.064 8.964 1.00 0.00 H new ATOM 325 N THR A 46 5.827 -4.123 9.900 1.00 0.00 N ATOM 326 CA THR A 46 5.376 -5.481 9.634 1.00 0.00 C ATOM 327 C THR A 46 4.201 -5.740 10.554 1.00 0.00 C ATOM 328 O THR A 46 4.272 -5.562 11.774 1.00 0.00 O ATOM 329 CB THR A 46 6.512 -6.511 9.729 1.00 0.00 C ATOM 330 OG1 THR A 46 6.094 -7.769 9.266 1.00 0.00 O ATOM 331 CG2 THR A 46 7.052 -6.748 11.131 1.00 0.00 C ATOM 0 H THR A 46 5.923 -3.912 10.893 1.00 0.00 H new ATOM 0 HA THR A 46 5.045 -5.592 8.602 1.00 0.00 H new ATOM 0 HB THR A 46 7.299 -6.071 9.117 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.860 -8.249 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.849 -7.490 11.093 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.445 -5.814 11.532 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.249 -7.110 11.774 1.00 0.00 H new ATOM 339 N ARG A 47 3.067 -6.050 9.948 1.00 0.00 N ATOM 340 CA ARG A 47 1.787 -6.192 10.608 1.00 0.00 C ATOM 341 C ARG A 47 0.846 -6.959 9.705 1.00 0.00 C ATOM 342 O ARG A 47 1.197 -7.358 8.586 1.00 0.00 O ATOM 343 CB ARG A 47 1.203 -4.821 11.022 1.00 0.00 C ATOM 344 CG ARG A 47 1.714 -3.568 10.285 1.00 0.00 C ATOM 345 CD ARG A 47 0.762 -2.391 10.510 1.00 0.00 C ATOM 346 NE ARG A 47 0.626 -2.092 11.943 1.00 0.00 N ATOM 347 CZ ARG A 47 1.414 -1.284 12.660 1.00 0.00 C ATOM 348 NH1 ARG A 47 2.240 -0.415 12.085 1.00 0.00 N ATOM 349 NH2 ARG A 47 1.373 -1.368 13.981 1.00 0.00 N ATOM 0 H ARG A 47 3.015 -6.215 8.943 1.00 0.00 H new ATOM 0 HA ARG A 47 1.922 -6.754 11.532 1.00 0.00 H new ATOM 0 HB2 ARG A 47 0.121 -4.866 10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.393 -4.684 12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.711 -3.310 10.641 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.800 -3.776 9.218 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.134 -1.511 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.216 -2.624 10.089 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.143 -2.544 12.438 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.285 -0.351 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.828 0.187 12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.750 -2.039 14.430 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.965 -0.762 14.549 1.00 0.00 H new ATOM 363 N ASP A 48 -0.351 -7.196 10.212 1.00 0.00 N ATOM 364 CA ASP A 48 -1.448 -7.594 9.365 1.00 0.00 C ATOM 365 C ASP A 48 -1.800 -6.450 8.426 1.00 0.00 C ATOM 366 O ASP A 48 -1.615 -5.289 8.793 1.00 0.00 O ATOM 367 CB ASP A 48 -2.666 -8.001 10.201 1.00 0.00 C ATOM 368 CG ASP A 48 -3.415 -6.799 10.783 1.00 0.00 C ATOM 369 OD1 ASP A 48 -4.459 -6.395 10.222 1.00 0.00 O ATOM 370 OD2 ASP A 48 -2.944 -6.288 11.828 1.00 0.00 O ATOM 0 H ASP A 48 -0.582 -7.119 11.202 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.146 -8.461 8.778 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.348 -8.583 9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.342 -8.650 11.015 1.00 0.00 H new ATOM 376 N VAL A 49 -2.291 -6.742 7.222 1.00 0.00 N ATOM 377 CA VAL A 49 -2.846 -5.760 6.312 1.00 0.00 C ATOM 378 C VAL A 49 -4.088 -6.452 5.764 1.00 0.00 C ATOM 379 O VAL A 49 -3.971 -7.437 5.034 1.00 0.00 O ATOM 380 CB VAL A 49 -1.824 -5.344 5.262 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.236 -4.219 4.332 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.440 -5.008 5.829 1.00 0.00 C ATOM 0 H VAL A 49 -2.311 -7.692 6.851 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.110 -4.811 6.778 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.771 -6.257 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.428 -4.013 3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.130 -4.512 3.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.447 -3.323 4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.227 -4.722 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.527 -4.182 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.035 -5.881 6.340 1.00 0.00 H new ATOM 392 N THR A 50 -5.273 -6.022 6.193 1.00 0.00 N ATOM 393 CA THR A 50 -6.522 -6.481 5.593 1.00 0.00 C ATOM 394 C THR A 50 -6.502 -6.071 4.118 1.00 0.00 C ATOM 395 O THR A 50 -5.929 -5.036 3.783 1.00 0.00 O ATOM 396 CB THR A 50 -7.701 -5.919 6.407 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.538 -6.363 7.743 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.084 -6.370 5.925 1.00 0.00 C ATOM 0 H THR A 50 -5.393 -5.355 6.955 1.00 0.00 H new ATOM 0 HA THR A 50 -6.639 -7.564 5.620 1.00 0.00 H new ATOM 0 HB THR A 50 -7.677 -4.835 6.296 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.828 -7.037 7.779 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.853 -5.925 6.557 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.232 -6.050 4.894 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.152 -7.456 5.981 1.00 0.00 H new ATOM 406 N PHE A 51 -7.091 -6.864 3.227 1.00 0.00 N ATOM 407 CA PHE A 51 -7.188 -6.626 1.805 1.00 0.00 C ATOM 408 C PHE A 51 -8.595 -7.019 1.382 1.00 0.00 C ATOM 409 O PHE A 51 -9.272 -7.795 2.064 1.00 0.00 O ATOM 410 CB PHE A 51 -6.137 -7.468 1.076 1.00 0.00 C ATOM 411 CG PHE A 51 -6.132 -8.921 1.490 1.00 0.00 C ATOM 412 CD1 PHE A 51 -6.983 -9.848 0.873 1.00 0.00 C ATOM 413 CD2 PHE A 51 -5.252 -9.352 2.490 1.00 0.00 C ATOM 414 CE1 PHE A 51 -6.894 -11.205 1.223 1.00 0.00 C ATOM 415 CE2 PHE A 51 -5.173 -10.713 2.821 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.003 -11.644 2.201 1.00 0.00 C ATOM 0 H PHE A 51 -7.537 -7.739 3.503 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.004 -5.581 1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.315 -7.405 0.002 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.151 -7.043 1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.701 -9.522 0.135 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.632 -8.635 3.008 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.529 -11.923 0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.462 -11.042 3.564 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.957 -12.688 2.473 1.00 0.00 H new ATOM 426 N ASN A 52 -9.037 -6.489 0.250 1.00 0.00 N ATOM 427 CA ASN A 52 -10.399 -6.669 -0.227 1.00 0.00 C ATOM 428 C ASN A 52 -10.355 -7.126 -1.666 1.00 0.00 C ATOM 429 O ASN A 52 -9.345 -6.964 -2.359 1.00 0.00 O ATOM 430 CB ASN A 52 -11.207 -5.365 -0.119 1.00 0.00 C ATOM 431 CG ASN A 52 -11.576 -5.006 1.310 1.00 0.00 C ATOM 432 OD1 ASN A 52 -12.749 -5.035 1.675 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.619 -4.595 2.119 1.00 0.00 N ATOM 0 H ASN A 52 -8.457 -5.919 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.892 -7.418 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.629 -4.550 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.118 -5.460 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.847 -4.294 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.651 -4.578 1.797 1.00 0.00 H new ATOM 440 N THR A 53 -11.490 -7.656 -2.099 1.00 0.00 N ATOM 441 CA THR A 53 -11.852 -8.016 -3.453 1.00 0.00 C ATOM 442 C THR A 53 -11.427 -6.861 -4.368 1.00 0.00 C ATOM 443 O THR A 53 -11.885 -5.720 -4.206 1.00 0.00 O ATOM 444 CB THR A 53 -13.374 -8.304 -3.468 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.815 -8.771 -2.202 1.00 0.00 O ATOM 446 CG2 THR A 53 -13.753 -9.379 -4.482 1.00 0.00 C ATOM 0 H THR A 53 -12.247 -7.862 -1.447 1.00 0.00 H new ATOM 0 HA THR A 53 -11.351 -8.914 -3.815 1.00 0.00 H new ATOM 0 HB THR A 53 -13.847 -7.358 -3.732 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.171 -8.020 -1.682 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.830 -9.543 -4.453 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.462 -9.055 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.238 -10.308 -4.237 1.00 0.00 H new ATOM 454 N GLY A 54 -10.470 -7.113 -5.256 1.00 0.00 N ATOM 455 CA GLY A 54 -9.777 -6.097 -6.033 1.00 0.00 C ATOM 456 C GLY A 54 -9.510 -6.638 -7.425 1.00 0.00 C ATOM 457 O GLY A 54 -10.071 -7.660 -7.825 1.00 0.00 O ATOM 0 H GLY A 54 -10.147 -8.059 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.380 -5.191 -6.090 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.839 -5.826 -5.548 1.00 0.00 H new ATOM 461 N ASP A 55 -8.690 -5.936 -8.199 1.00 0.00 N ATOM 462 CA ASP A 55 -8.222 -6.428 -9.487 1.00 0.00 C ATOM 463 C ASP A 55 -6.740 -6.140 -9.521 1.00 0.00 C ATOM 464 O ASP A 55 -6.322 -4.984 -9.497 1.00 0.00 O ATOM 465 CB ASP A 55 -8.944 -5.759 -10.663 1.00 0.00 C ATOM 466 CG ASP A 55 -9.000 -6.657 -11.901 1.00 0.00 C ATOM 467 OD1 ASP A 55 -8.954 -6.114 -13.030 1.00 0.00 O ATOM 468 OD2 ASP A 55 -9.121 -7.893 -11.750 1.00 0.00 O ATOM 0 H ASP A 55 -8.333 -5.013 -7.951 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.431 -7.493 -9.592 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.958 -5.497 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.436 -4.828 -10.915 1.00 0.00 H new ATOM 474 N SER A 56 -5.934 -7.181 -9.425 1.00 0.00 N ATOM 475 CA SER A 56 -4.502 -7.186 -9.645 1.00 0.00 C ATOM 476 C SER A 56 -4.152 -8.662 -9.890 1.00 0.00 C ATOM 477 O SER A 56 -5.058 -9.496 -9.919 1.00 0.00 O ATOM 478 CB SER A 56 -3.747 -6.622 -8.421 1.00 0.00 C ATOM 479 OG SER A 56 -4.040 -5.255 -8.204 1.00 0.00 O ATOM 0 H SER A 56 -6.286 -8.105 -9.175 1.00 0.00 H new ATOM 0 HA SER A 56 -4.211 -6.553 -10.484 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.014 -7.196 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.674 -6.744 -8.568 1.00 0.00 H new ATOM 0 HG SER A 56 -4.666 -4.942 -8.890 1.00 0.00 H new ATOM 485 N GLU A 57 -2.865 -9.002 -9.970 1.00 0.00 N ATOM 486 CA GLU A 57 -2.339 -10.355 -10.149 1.00 0.00 C ATOM 487 C GLU A 57 -3.109 -11.390 -9.309 1.00 0.00 C ATOM 488 O GLU A 57 -3.658 -12.351 -9.848 1.00 0.00 O ATOM 489 CB GLU A 57 -0.850 -10.365 -9.756 1.00 0.00 C ATOM 490 CG GLU A 57 0.018 -9.283 -10.422 1.00 0.00 C ATOM 491 CD GLU A 57 0.274 -9.549 -11.900 1.00 0.00 C ATOM 492 OE1 GLU A 57 1.415 -9.975 -12.209 1.00 0.00 O ATOM 493 OE2 GLU A 57 -0.632 -9.319 -12.725 1.00 0.00 O ATOM 0 H GLU A 57 -2.123 -8.305 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.460 -10.634 -11.196 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.777 -10.250 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.434 -11.342 -10.002 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.471 -8.315 -10.312 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.973 -9.219 -9.900 1.00 0.00 H new ATOM 501 N GLN A 58 -3.177 -11.163 -7.991 1.00 0.00 N ATOM 502 CA GLN A 58 -3.828 -12.056 -7.028 1.00 0.00 C ATOM 503 C GLN A 58 -5.356 -11.953 -7.071 1.00 0.00 C ATOM 504 O GLN A 58 -6.060 -12.881 -6.672 1.00 0.00 O ATOM 505 CB GLN A 58 -3.373 -11.679 -5.613 1.00 0.00 C ATOM 506 CG GLN A 58 -1.864 -11.446 -5.459 1.00 0.00 C ATOM 507 CD GLN A 58 -1.606 -9.956 -5.307 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.484 -9.218 -6.283 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.661 -9.472 -4.077 1.00 0.00 N ATOM 0 H GLN A 58 -2.771 -10.334 -7.556 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.545 -13.075 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.898 -10.774 -5.307 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.675 -12.470 -4.927 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.487 -11.984 -4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.333 -11.833 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.763 -10.105 -3.284 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.602 -8.466 -3.922 1.00 0.00 H new ATOM 518 N GLY A 59 -5.896 -10.809 -7.495 1.00 0.00 N ATOM 519 CA GLY A 59 -7.319 -10.510 -7.420 1.00 0.00 C ATOM 520 C GLY A 59 -7.753 -9.788 -6.129 1.00 0.00 C ATOM 521 O GLY A 59 -8.950 -9.718 -5.845 1.00 0.00 O ATOM 0 H GLY A 59 -5.345 -10.056 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.593 -9.893 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.878 -11.442 -7.506 1.00 0.00 H new ATOM 525 N ILE A 60 -6.814 -9.297 -5.309 1.00 0.00 N ATOM 526 CA ILE A 60 -7.057 -8.622 -4.025 1.00 0.00 C ATOM 527 C ILE A 60 -5.999 -7.542 -3.821 1.00 0.00 C ATOM 528 O ILE A 60 -4.857 -7.739 -4.247 1.00 0.00 O ATOM 529 CB ILE A 60 -6.996 -9.609 -2.827 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.815 -10.602 -2.966 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.337 -10.346 -2.676 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.393 -11.225 -1.640 1.00 0.00 C ATOM 0 H ILE A 60 -5.821 -9.362 -5.531 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.058 -8.191 -4.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.819 -9.032 -1.919 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.096 -11.395 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.962 -10.083 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.281 -11.035 -1.833 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.132 -9.622 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.550 -10.905 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.562 -11.910 -1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.082 -10.439 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.233 -11.772 -1.211 1.00 0.00 H new ATOM 544 N VAL A 61 -6.326 -6.463 -3.098 1.00 0.00 N ATOM 545 CA VAL A 61 -5.364 -5.401 -2.781 1.00 0.00 C ATOM 546 C VAL A 61 -5.520 -4.929 -1.316 1.00 0.00 C ATOM 547 O VAL A 61 -6.650 -4.906 -0.809 1.00 0.00 O ATOM 548 CB VAL A 61 -5.468 -4.253 -3.813 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.212 -4.729 -5.251 1.00 0.00 C ATOM 550 CG2 VAL A 61 -6.822 -3.536 -3.782 1.00 0.00 C ATOM 0 H VAL A 61 -7.259 -6.303 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.352 -5.798 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.688 -3.552 -3.514 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.297 -3.884 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.210 -5.153 -5.321 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.947 -5.488 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.831 -2.742 -4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.617 -4.249 -4.001 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.983 -3.106 -2.794 1.00 0.00 H new ATOM 560 N PRO A 62 -4.425 -4.561 -0.617 1.00 0.00 N ATOM 561 CA PRO A 62 -4.395 -4.170 0.802 1.00 0.00 C ATOM 562 C PRO A 62 -5.171 -2.885 1.092 1.00 0.00 C ATOM 563 O PRO A 62 -5.273 -1.988 0.258 1.00 0.00 O ATOM 564 CB PRO A 62 -2.920 -4.013 1.146 1.00 0.00 C ATOM 565 CG PRO A 62 -2.211 -3.805 -0.176 1.00 0.00 C ATOM 566 CD PRO A 62 -3.076 -4.562 -1.165 1.00 0.00 C ATOM 0 HA PRO A 62 -4.887 -4.926 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.762 -3.166 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.541 -4.897 1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.141 -2.748 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.194 -4.196 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.055 -4.084 -2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.712 -5.581 -1.299 1.00 0.00 H new ATOM 574 N CYS A 63 -5.673 -2.770 2.315 1.00 0.00 N ATOM 575 CA CYS A 63 -6.411 -1.629 2.825 1.00 0.00 C ATOM 576 C CYS A 63 -5.398 -0.618 3.353 1.00 0.00 C ATOM 577 O CYS A 63 -5.082 -0.584 4.545 1.00 0.00 O ATOM 578 CB CYS A 63 -7.390 -2.083 3.908 1.00 0.00 C ATOM 579 SG CYS A 63 -8.308 -0.717 4.661 1.00 0.00 S ATOM 0 H CYS A 63 -5.569 -3.509 3.010 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.005 -1.160 2.040 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.096 -2.792 3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.841 -2.614 4.685 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.404 -0.511 3.993 1.00 0.00 H new ATOM 585 N LEU A 64 -4.849 0.188 2.452 1.00 0.00 N ATOM 586 CA LEU A 64 -3.877 1.220 2.777 1.00 0.00 C ATOM 587 C LEU A 64 -4.690 2.485 2.999 1.00 0.00 C ATOM 588 O LEU A 64 -5.297 2.989 2.057 1.00 0.00 O ATOM 589 CB LEU A 64 -2.855 1.397 1.645 1.00 0.00 C ATOM 590 CG LEU A 64 -2.158 0.091 1.218 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.560 0.231 -0.193 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.065 -0.322 2.209 1.00 0.00 C ATOM 0 H LEU A 64 -5.072 0.140 1.458 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.294 0.962 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.358 1.828 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.098 2.114 1.962 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.917 -0.691 1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.072 -0.702 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.355 0.455 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.829 1.039 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.598 -1.247 1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.312 0.464 2.268 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.506 -0.476 3.194 1.00 0.00 H new ATOM 604 N THR A 65 -4.801 2.947 4.237 1.00 0.00 N ATOM 605 CA THR A 65 -5.657 4.076 4.587 1.00 0.00 C ATOM 606 C THR A 65 -4.843 5.366 4.504 1.00 0.00 C ATOM 607 O THR A 65 -3.618 5.320 4.373 1.00 0.00 O ATOM 608 CB THR A 65 -6.288 3.847 5.969 1.00 0.00 C ATOM 609 OG1 THR A 65 -5.352 4.013 7.010 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.842 2.410 6.058 1.00 0.00 C ATOM 0 H THR A 65 -4.299 2.549 5.031 1.00 0.00 H new ATOM 0 HA THR A 65 -6.483 4.167 3.882 1.00 0.00 H new ATOM 0 HB THR A 65 -7.082 4.585 6.084 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.805 4.364 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.288 2.252 7.040 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.599 2.263 5.287 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.031 1.697 5.910 1.00 0.00 H new ATOM 618 N ARG A 66 -5.479 6.538 4.598 1.00 0.00 N ATOM 619 CA ARG A 66 -4.744 7.796 4.496 1.00 0.00 C ATOM 620 C ARG A 66 -3.641 7.876 5.536 1.00 0.00 C ATOM 621 O ARG A 66 -2.537 8.308 5.195 1.00 0.00 O ATOM 622 CB ARG A 66 -5.661 9.015 4.620 1.00 0.00 C ATOM 623 CG ARG A 66 -4.881 10.277 4.209 1.00 0.00 C ATOM 624 CD ARG A 66 -5.682 11.300 3.393 1.00 0.00 C ATOM 625 NE ARG A 66 -5.487 12.671 3.899 1.00 0.00 N ATOM 626 CZ ARG A 66 -6.337 13.407 4.631 1.00 0.00 C ATOM 627 NH1 ARG A 66 -7.538 12.974 4.986 1.00 0.00 N ATOM 628 NH2 ARG A 66 -5.976 14.619 5.005 1.00 0.00 N ATOM 0 H ARG A 66 -6.484 6.639 4.742 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.297 7.810 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.538 8.892 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.021 9.112 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.509 10.765 5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.010 9.974 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.378 11.251 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.741 11.046 3.429 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.598 13.113 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.850 12.045 4.702 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.151 13.569 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.062 14.984 4.737 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.611 15.191 5.562 1.00 0.00 H new ATOM 642 N ALA A 67 -3.953 7.456 6.765 1.00 0.00 N ATOM 643 CA ALA A 67 -2.950 7.417 7.811 1.00 0.00 C ATOM 644 C ALA A 67 -1.801 6.523 7.378 1.00 0.00 C ATOM 645 O ALA A 67 -0.671 6.998 7.349 1.00 0.00 O ATOM 646 CB ALA A 67 -3.481 6.915 9.151 1.00 0.00 C ATOM 0 H ALA A 67 -4.881 7.144 7.049 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.623 8.446 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.675 6.913 9.884 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.282 7.570 9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.866 5.902 9.033 1.00 0.00 H new ATOM 652 N GLN A 68 -2.091 5.264 7.022 1.00 0.00 N ATOM 653 CA GLN A 68 -1.086 4.261 6.676 1.00 0.00 C ATOM 654 C GLN A 68 -0.160 4.774 5.578 1.00 0.00 C ATOM 655 O GLN A 68 1.048 4.580 5.633 1.00 0.00 O ATOM 656 CB GLN A 68 -1.777 2.985 6.185 1.00 0.00 C ATOM 657 CG GLN A 68 -2.603 2.264 7.258 1.00 0.00 C ATOM 658 CD GLN A 68 -1.892 1.028 7.800 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.723 1.055 8.175 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.602 -0.085 7.868 1.00 0.00 N ATOM 0 H GLN A 68 -3.047 4.913 6.967 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.496 4.050 7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.429 3.237 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.020 2.299 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.809 2.952 8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.565 1.972 6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.572 -0.091 7.553 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.180 -0.938 8.236 1.00 0.00 H new ATOM 669 N LEU A 69 -0.708 5.454 4.576 1.00 0.00 N ATOM 670 CA LEU A 69 0.078 5.997 3.481 1.00 0.00 C ATOM 671 C LEU A 69 1.000 7.106 3.965 1.00 0.00 C ATOM 672 O LEU A 69 2.214 7.040 3.753 1.00 0.00 O ATOM 673 CB LEU A 69 -0.864 6.494 2.386 1.00 0.00 C ATOM 674 CG LEU A 69 -1.670 5.375 1.734 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.599 5.980 0.685 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.794 4.306 1.095 1.00 0.00 C ATOM 0 H LEU A 69 -1.708 5.642 4.503 1.00 0.00 H new ATOM 0 HA LEU A 69 0.714 5.212 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.550 7.227 2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.282 7.008 1.621 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.242 4.881 2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.180 5.188 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.274 6.689 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.007 6.496 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.425 3.538 0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.172 4.759 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.157 3.855 1.856 1.00 0.00 H new ATOM 688 N ALA A 70 0.459 8.110 4.656 1.00 0.00 N ATOM 689 CA ALA A 70 1.291 9.141 5.260 1.00 0.00 C ATOM 690 C ALA A 70 2.267 8.528 6.287 1.00 0.00 C ATOM 691 O ALA A 70 3.296 9.131 6.594 1.00 0.00 O ATOM 692 CB ALA A 70 0.392 10.205 5.899 1.00 0.00 C ATOM 0 H ALA A 70 -0.543 8.228 4.808 1.00 0.00 H new ATOM 0 HA ALA A 70 1.898 9.616 4.489 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.011 10.979 6.353 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.244 10.651 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.231 9.743 6.665 1.00 0.00 H new ATOM 698 N SER A 71 2.010 7.313 6.783 1.00 0.00 N ATOM 699 CA SER A 71 2.867 6.579 7.718 1.00 0.00 C ATOM 700 C SER A 71 4.102 6.001 7.016 1.00 0.00 C ATOM 701 O SER A 71 5.048 5.586 7.680 1.00 0.00 O ATOM 702 CB SER A 71 2.047 5.473 8.391 1.00 0.00 C ATOM 703 OG SER A 71 2.511 5.137 9.691 1.00 0.00 O ATOM 0 H SER A 71 1.167 6.795 6.534 1.00 0.00 H new ATOM 0 HA SER A 71 3.231 7.271 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.006 5.791 8.456 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.069 4.582 7.764 1.00 0.00 H new ATOM 0 HG SER A 71 1.947 4.429 10.067 1.00 0.00 H new ATOM 709 N MET A 72 4.155 6.056 5.687 1.00 0.00 N ATOM 710 CA MET A 72 5.327 5.790 4.856 1.00 0.00 C ATOM 711 C MET A 72 5.632 7.021 3.988 1.00 0.00 C ATOM 712 O MET A 72 6.267 6.916 2.943 1.00 0.00 O ATOM 713 CB MET A 72 5.178 4.481 4.062 1.00 0.00 C ATOM 714 CG MET A 72 3.774 4.117 3.674 1.00 0.00 C ATOM 715 SD MET A 72 3.726 2.457 2.999 1.00 0.00 S ATOM 716 CE MET A 72 2.189 2.768 2.166 1.00 0.00 C ATOM 0 H MET A 72 3.336 6.301 5.130 1.00 0.00 H new ATOM 0 HA MET A 72 6.197 5.626 5.492 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.779 4.556 3.156 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.595 3.667 4.655 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.120 4.182 4.544 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.397 4.827 2.938 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.004 1.979 1.437 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.378 2.786 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.240 3.730 1.655 1.00 0.00 H new ATOM 726 N GLY A 73 5.154 8.205 4.388 1.00 0.00 N ATOM 727 CA GLY A 73 5.499 9.484 3.788 1.00 0.00 C ATOM 728 C GLY A 73 4.931 9.676 2.384 1.00 0.00 C ATOM 729 O GLY A 73 5.459 10.507 1.637 1.00 0.00 O ATOM 0 H GLY A 73 4.497 8.294 5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.136 10.286 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.584 9.575 3.747 1.00 0.00 H new ATOM 733 N LEU A 74 3.886 8.924 2.015 1.00 0.00 N ATOM 734 CA LEU A 74 3.110 9.212 0.818 1.00 0.00 C ATOM 735 C LEU A 74 2.480 10.586 0.982 1.00 0.00 C ATOM 736 O LEU A 74 1.921 10.960 2.015 1.00 0.00 O ATOM 737 CB LEU A 74 2.093 8.102 0.524 1.00 0.00 C ATOM 738 CG LEU A 74 0.841 8.404 -0.336 1.00 0.00 C ATOM 739 CD1 LEU A 74 -0.193 9.265 0.386 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.052 8.894 -1.764 1.00 0.00 C ATOM 0 H LEU A 74 3.563 8.109 2.536 1.00 0.00 H new ATOM 0 HA LEU A 74 3.756 9.233 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.632 7.290 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.743 7.722 1.483 1.00 0.00 H new ATOM 0 HG LEU A 74 0.447 7.396 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.044 9.439 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.529 8.751 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.256 10.220 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.085 9.062 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.615 9.827 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.607 8.144 -2.328 1.00 0.00 H new ATOM 752 N ASN A 75 2.613 11.333 -0.093 1.00 0.00 N ATOM 753 CA ASN A 75 2.267 12.724 -0.261 1.00 0.00 C ATOM 754 C ASN A 75 0.817 12.848 -0.718 1.00 0.00 C ATOM 755 O ASN A 75 0.566 12.975 -1.915 1.00 0.00 O ATOM 756 CB ASN A 75 3.234 13.266 -1.318 1.00 0.00 C ATOM 757 CG ASN A 75 3.312 14.774 -1.349 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.334 15.471 -1.105 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.483 15.288 -1.663 1.00 0.00 N ATOM 0 H ASN A 75 3.003 10.942 -0.951 1.00 0.00 H new ATOM 0 HA ASN A 75 2.352 13.287 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.229 12.863 -1.129 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.925 12.906 -2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.600 16.300 -1.710 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.273 14.674 -1.859 1.00 0.00 H new ATOM 766 N THR A 76 -0.179 12.820 0.174 1.00 0.00 N ATOM 767 CA THR A 76 -1.574 12.939 -0.262 1.00 0.00 C ATOM 768 C THR A 76 -1.852 14.326 -0.867 1.00 0.00 C ATOM 769 O THR A 76 -2.917 14.553 -1.441 1.00 0.00 O ATOM 770 CB THR A 76 -2.498 12.742 0.955 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.274 13.721 1.956 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.286 11.414 1.672 1.00 0.00 C ATOM 0 H THR A 76 -0.050 12.718 1.181 1.00 0.00 H new ATOM 0 HA THR A 76 -1.761 12.181 -1.022 1.00 0.00 H new ATOM 0 HB THR A 76 -3.498 12.801 0.524 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.880 13.563 2.710 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.970 11.344 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.478 10.593 0.981 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.258 11.354 2.030 1.00 0.00 H new ATOM 780 N ALA A 77 -0.928 15.273 -0.665 1.00 0.00 N ATOM 781 CA ALA A 77 -0.982 16.633 -1.152 1.00 0.00 C ATOM 782 C ALA A 77 -0.356 16.764 -2.539 1.00 0.00 C ATOM 783 O ALA A 77 -0.279 17.876 -3.070 1.00 0.00 O ATOM 784 CB ALA A 77 -0.182 17.499 -0.192 1.00 0.00 C ATOM 0 H ALA A 77 -0.082 15.088 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.026 16.939 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.203 18.534 -0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.618 17.436 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.850 17.149 -0.159 1.00 0.00 H new ATOM 790 N SER A 78 0.186 15.683 -3.092 1.00 0.00 N ATOM 791 CA SER A 78 0.524 15.626 -4.492 1.00 0.00 C ATOM 792 C SER A 78 -0.799 15.439 -5.241 1.00 0.00 C ATOM 793 O SER A 78 -1.239 16.314 -5.983 1.00 0.00 O ATOM 794 CB SER A 78 1.560 14.519 -4.745 1.00 0.00 C ATOM 795 OG SER A 78 1.112 13.218 -4.427 1.00 0.00 O ATOM 0 H SER A 78 0.399 14.829 -2.576 1.00 0.00 H new ATOM 0 HA SER A 78 1.005 16.536 -4.852 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.851 14.543 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.455 14.735 -4.161 1.00 0.00 H new ATOM 0 HG SER A 78 0.723 13.217 -3.528 1.00 0.00 H new ATOM 801 N VAL A 79 -1.483 14.331 -4.954 1.00 0.00 N ATOM 802 CA VAL A 79 -2.577 13.785 -5.704 1.00 0.00 C ATOM 803 C VAL A 79 -3.875 14.459 -5.277 1.00 0.00 C ATOM 804 O VAL A 79 -4.433 14.191 -4.202 1.00 0.00 O ATOM 805 CB VAL A 79 -2.496 12.251 -5.593 1.00 0.00 C ATOM 806 CG1 VAL A 79 -2.016 11.658 -4.260 1.00 0.00 C ATOM 807 CG2 VAL A 79 -3.715 11.509 -6.159 1.00 0.00 C ATOM 0 H VAL A 79 -1.260 13.766 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.532 13.996 -6.772 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.659 12.053 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.009 10.570 -4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.009 12.014 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.689 11.968 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.575 10.435 -6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.611 11.819 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.826 11.745 -7.217 1.00 0.00 H new ATOM 817 N ALA A 80 -4.337 15.358 -6.147 1.00 0.00 N ATOM 818 CA ALA A 80 -5.654 15.950 -6.062 1.00 0.00 C ATOM 819 C ALA A 80 -6.670 14.812 -5.962 1.00 0.00 C ATOM 820 O ALA A 80 -6.644 13.873 -6.765 1.00 0.00 O ATOM 821 CB ALA A 80 -5.889 16.841 -7.280 1.00 0.00 C ATOM 0 H ALA A 80 -3.791 15.694 -6.940 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.756 16.585 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.881 17.288 -7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.137 17.629 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.817 16.242 -8.188 1.00 0.00 H new ATOM 827 N GLY A 81 -7.511 14.873 -4.930 1.00 0.00 N ATOM 828 CA GLY A 81 -8.493 13.844 -4.644 1.00 0.00 C ATOM 829 C GLY A 81 -8.028 12.792 -3.639 1.00 0.00 C ATOM 830 O GLY A 81 -8.773 11.835 -3.438 1.00 0.00 O ATOM 0 H GLY A 81 -7.525 15.648 -4.267 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.398 14.318 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.762 13.346 -5.576 1.00 0.00 H new ATOM 834 N MET A 82 -6.864 12.929 -2.979 1.00 0.00 N ATOM 835 CA MET A 82 -6.446 12.003 -1.913 1.00 0.00 C ATOM 836 C MET A 82 -6.538 12.603 -0.513 1.00 0.00 C ATOM 837 O MET A 82 -6.931 11.923 0.433 1.00 0.00 O ATOM 838 CB MET A 82 -5.022 11.506 -2.170 1.00 0.00 C ATOM 839 CG MET A 82 -4.652 10.367 -1.213 1.00 0.00 C ATOM 840 SD MET A 82 -3.170 9.438 -1.677 1.00 0.00 S ATOM 841 CE MET A 82 -3.756 8.547 -3.142 1.00 0.00 C ATOM 0 H MET A 82 -6.194 13.675 -3.167 1.00 0.00 H new ATOM 0 HA MET A 82 -7.147 11.169 -1.944 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.934 11.162 -3.201 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.319 12.330 -2.048 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.506 10.782 -0.216 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.493 9.676 -1.151 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.033 7.778 -3.414 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.717 8.081 -2.924 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.871 9.246 -3.971 1.00 0.00 H new ATOM 851 N ASN A 83 -6.183 13.876 -0.369 1.00 0.00 N ATOM 852 CA ASN A 83 -6.129 14.657 0.872 1.00 0.00 C ATOM 853 C ASN A 83 -7.497 14.904 1.541 1.00 0.00 C ATOM 854 O ASN A 83 -7.616 15.781 2.393 1.00 0.00 O ATOM 855 CB ASN A 83 -5.359 15.961 0.598 1.00 0.00 C ATOM 856 CG ASN A 83 -5.947 16.813 -0.516 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.688 16.481 -1.774 1.00 0.00 O flip ATOM 858 ND2 ASN A 83 -6.648 17.786 -0.272 1.00 0.00 N flip ATOM 0 H ASN A 83 -5.904 14.435 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.597 14.060 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.330 16.551 1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.328 15.714 0.345 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.847 18.041 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.033 18.342 -1.036 1.00 0.00 H new ATOM 865 N LEU A 84 -8.526 14.141 1.169 1.00 0.00 N ATOM 866 CA LEU A 84 -9.906 14.214 1.637 1.00 0.00 C ATOM 867 C LEU A 84 -10.448 12.825 2.048 1.00 0.00 C ATOM 868 O LEU A 84 -11.576 12.726 2.539 1.00 0.00 O ATOM 869 CB LEU A 84 -10.816 14.926 0.607 1.00 0.00 C ATOM 870 CG LEU A 84 -10.482 14.825 -0.894 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.203 15.568 -1.285 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.443 13.381 -1.375 1.00 0.00 C ATOM 0 H LEU A 84 -8.404 13.400 0.479 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.915 14.825 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.827 14.543 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.838 15.984 0.867 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.301 15.330 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.029 15.455 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.309 16.626 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.359 15.154 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.204 13.358 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.681 12.833 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.416 12.917 -1.212 1.00 0.00 H new ATOM 884 N LEU A 85 -9.662 11.752 1.877 1.00 0.00 N ATOM 885 CA LEU A 85 -10.053 10.383 2.230 1.00 0.00 C ATOM 886 C LEU A 85 -9.896 10.145 3.731 1.00 0.00 C ATOM 887 O LEU A 85 -9.070 10.789 4.377 1.00 0.00 O ATOM 888 CB LEU A 85 -9.160 9.391 1.469 1.00 0.00 C ATOM 889 CG LEU A 85 -9.671 9.157 0.037 1.00 0.00 C ATOM 890 CD1 LEU A 85 -8.540 8.705 -0.882 1.00 0.00 C ATOM 891 CD2 LEU A 85 -10.745 8.064 0.030 1.00 0.00 C ATOM 0 H LEU A 85 -8.723 11.814 1.483 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.099 10.238 1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.139 9.771 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.129 8.442 2.005 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.081 10.102 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.929 8.547 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.765 9.471 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.116 7.774 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.099 7.908 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.322 7.136 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.580 8.370 0.661 1.00 0.00 H new ATOM 903 N ALA A 86 -10.644 9.183 4.270 1.00 0.00 N ATOM 904 CA ALA A 86 -10.714 8.905 5.699 1.00 0.00 C ATOM 905 C ALA A 86 -9.450 8.251 6.259 1.00 0.00 C ATOM 906 O ALA A 86 -8.533 7.907 5.518 1.00 0.00 O ATOM 907 CB ALA A 86 -11.910 7.986 5.940 1.00 0.00 C ATOM 0 H ALA A 86 -11.230 8.563 3.711 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.818 9.858 6.218 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.987 7.761 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.822 8.481 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.775 7.060 5.382 1.00 0.00 H new ATOM 913 N ASP A 87 -9.437 7.993 7.564 1.00 0.00 N ATOM 914 CA ASP A 87 -8.436 7.186 8.273 1.00 0.00 C ATOM 915 C ASP A 87 -8.588 5.688 8.023 1.00 0.00 C ATOM 916 O ASP A 87 -7.699 4.909 8.371 1.00 0.00 O ATOM 917 CB ASP A 87 -8.575 7.463 9.773 1.00 0.00 C ATOM 918 CG ASP A 87 -7.322 7.090 10.547 1.00 0.00 C ATOM 919 OD1 ASP A 87 -7.316 6.038 11.228 1.00 0.00 O ATOM 920 OD2 ASP A 87 -6.383 7.915 10.557 1.00 0.00 O ATOM 0 H ASP A 87 -10.156 8.356 8.190 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.453 7.469 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.793 8.520 9.926 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.423 6.902 10.167 1.00 0.00 H new ATOM 926 N ASP A 88 -9.685 5.296 7.374 1.00 0.00 N ATOM 927 CA ASP A 88 -10.002 3.947 6.934 1.00 0.00 C ATOM 928 C ASP A 88 -11.024 3.987 5.796 1.00 0.00 C ATOM 929 O ASP A 88 -12.197 3.635 5.914 1.00 0.00 O ATOM 930 CB ASP A 88 -10.468 3.071 8.093 1.00 0.00 C ATOM 931 CG ASP A 88 -10.783 1.655 7.607 1.00 0.00 C ATOM 932 OD1 ASP A 88 -10.162 1.179 6.629 1.00 0.00 O ATOM 933 OD2 ASP A 88 -11.643 0.990 8.225 1.00 0.00 O ATOM 0 H ASP A 88 -10.420 5.959 7.128 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.091 3.489 6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.695 3.034 8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.354 3.509 8.553 1.00 0.00 H new ATOM 939 N ALA A 89 -10.557 4.463 4.648 1.00 0.00 N ATOM 940 CA ALA A 89 -11.235 4.390 3.367 1.00 0.00 C ATOM 941 C ALA A 89 -10.225 3.934 2.324 1.00 0.00 C ATOM 942 O ALA A 89 -10.061 4.606 1.304 1.00 0.00 O ATOM 943 CB ALA A 89 -11.893 5.719 3.009 1.00 0.00 C ATOM 0 H ALA A 89 -9.653 4.931 4.586 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.049 3.666 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.392 5.630 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.625 5.980 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.133 6.498 2.954 1.00 0.00 H new ATOM 949 N CYS A 90 -9.561 2.818 2.618 1.00 0.00 N ATOM 950 CA CYS A 90 -9.077 1.828 1.657 1.00 0.00 C ATOM 951 C CYS A 90 -8.604 2.456 0.340 1.00 0.00 C ATOM 952 O CYS A 90 -9.197 2.203 -0.721 1.00 0.00 O ATOM 953 CB CYS A 90 -10.240 0.843 1.439 1.00 0.00 C ATOM 954 SG CYS A 90 -11.120 0.288 2.924 1.00 0.00 S ATOM 0 H CYS A 90 -9.335 2.567 3.580 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.194 1.321 2.046 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.962 1.311 0.769 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.851 -0.036 0.925 1.00 0.00 H new ATOM 0 HG CYS A 90 -12.070 -0.532 2.585 1.00 0.00 H new ATOM 960 N VAL A 91 -7.582 3.315 0.402 1.00 0.00 N ATOM 961 CA VAL A 91 -7.345 4.357 -0.589 1.00 0.00 C ATOM 962 C VAL A 91 -7.130 3.726 -1.969 1.00 0.00 C ATOM 963 O VAL A 91 -6.520 2.654 -2.062 1.00 0.00 O ATOM 964 CB VAL A 91 -6.133 5.206 -0.130 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.624 6.238 -1.150 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.452 5.947 1.180 1.00 0.00 C ATOM 0 H VAL A 91 -6.891 3.302 1.152 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.209 5.015 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.336 4.474 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.775 6.777 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.313 5.727 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.422 6.943 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.587 6.537 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.306 6.607 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.689 5.223 1.959 1.00 0.00 H new ATOM 976 N PRO A 92 -7.557 4.389 -3.059 1.00 0.00 N ATOM 977 CA PRO A 92 -7.193 4.004 -4.413 1.00 0.00 C ATOM 978 C PRO A 92 -5.710 4.330 -4.686 1.00 0.00 C ATOM 979 O PRO A 92 -5.383 5.125 -5.572 1.00 0.00 O ATOM 980 CB PRO A 92 -8.168 4.764 -5.315 1.00 0.00 C ATOM 981 CG PRO A 92 -8.421 6.033 -4.527 1.00 0.00 C ATOM 982 CD PRO A 92 -8.480 5.518 -3.100 1.00 0.00 C ATOM 0 HA PRO A 92 -7.274 2.932 -4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.737 4.973 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.086 4.202 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.623 6.763 -4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.351 6.518 -4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.187 6.292 -2.390 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.491 5.209 -2.835 1.00 0.00 H new ATOM 990 N LEU A 93 -4.791 3.764 -3.899 1.00 0.00 N ATOM 991 CA LEU A 93 -3.358 4.028 -3.959 1.00 0.00 C ATOM 992 C LEU A 93 -2.758 3.561 -5.281 1.00 0.00 C ATOM 993 O LEU A 93 -1.683 4.004 -5.636 1.00 0.00 O ATOM 994 CB LEU A 93 -2.678 3.371 -2.744 1.00 0.00 C ATOM 995 CG LEU A 93 -1.176 3.657 -2.514 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.200 2.678 -3.171 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.773 5.112 -2.773 1.00 0.00 C ATOM 0 H LEU A 93 -5.037 3.086 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.184 5.103 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.218 3.682 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.803 2.292 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.075 3.478 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.823 2.976 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.379 1.673 -2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.348 2.686 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.295 5.232 -2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.995 5.372 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.331 5.769 -2.106 1.00 0.00 H new ATOM 1009 N THR A 94 -3.449 2.735 -6.057 1.00 0.00 N ATOM 1010 CA THR A 94 -2.981 2.251 -7.349 1.00 0.00 C ATOM 1011 C THR A 94 -3.998 2.594 -8.451 1.00 0.00 C ATOM 1012 O THR A 94 -3.835 2.168 -9.590 1.00 0.00 O ATOM 1013 CB THR A 94 -2.580 0.775 -7.193 1.00 0.00 C ATOM 1014 OG1 THR A 94 -3.463 0.017 -6.379 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.237 0.783 -6.461 1.00 0.00 C ATOM 0 H THR A 94 -4.369 2.376 -5.800 1.00 0.00 H new ATOM 0 HA THR A 94 -2.078 2.758 -7.689 1.00 0.00 H new ATOM 0 HB THR A 94 -2.575 0.324 -8.185 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.146 -0.909 -6.327 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.895 -0.242 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.504 1.331 -7.052 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.354 1.265 -5.491 1.00 0.00 H new ATOM 1023 N THR A 95 -5.022 3.408 -8.149 1.00 0.00 N ATOM 1024 CA THR A 95 -6.087 3.784 -9.074 1.00 0.00 C ATOM 1025 C THR A 95 -6.171 5.310 -9.219 1.00 0.00 C ATOM 1026 O THR A 95 -6.541 5.785 -10.288 1.00 0.00 O ATOM 1027 CB THR A 95 -7.401 3.111 -8.620 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.260 1.698 -8.662 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.650 3.514 -9.405 1.00 0.00 C ATOM 0 H THR A 95 -5.129 3.831 -7.227 1.00 0.00 H new ATOM 0 HA THR A 95 -5.875 3.421 -10.080 1.00 0.00 H new ATOM 0 HB THR A 95 -7.563 3.470 -7.604 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.096 1.277 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.516 2.986 -9.007 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.807 4.589 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.519 3.255 -10.456 1.00 0.00 H new ATOM 1037 N MET A 96 -5.785 6.093 -8.206 1.00 0.00 N ATOM 1038 CA MET A 96 -5.589 7.541 -8.322 1.00 0.00 C ATOM 1039 C MET A 96 -4.128 7.906 -8.575 1.00 0.00 C ATOM 1040 O MET A 96 -3.836 9.064 -8.876 1.00 0.00 O ATOM 1041 CB MET A 96 -6.056 8.235 -7.038 1.00 0.00 C ATOM 1042 CG MET A 96 -7.575 8.373 -7.000 1.00 0.00 C ATOM 1043 SD MET A 96 -8.244 9.390 -5.653 1.00 0.00 S ATOM 1044 CE MET A 96 -6.888 9.488 -4.449 1.00 0.00 C ATOM 0 H MET A 96 -5.598 5.733 -7.270 1.00 0.00 H new ATOM 0 HA MET A 96 -6.178 7.877 -9.175 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.719 7.665 -6.172 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.598 9.222 -6.969 1.00 0.00 H new ATOM 0 HG2 MET A 96 -7.906 8.797 -7.948 1.00 0.00 H new ATOM 0 HG3 MET A 96 -8.010 7.376 -6.927 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.287 9.763 -3.473 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.393 8.519 -4.379 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.169 10.241 -4.772 1.00 0.00 H new ATOM 1054 N VAL A 97 -3.210 6.954 -8.429 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.804 7.123 -8.682 1.00 0.00 C ATOM 1056 C VAL A 97 -1.458 6.211 -9.849 1.00 0.00 C ATOM 1057 O VAL A 97 -2.122 5.191 -10.072 1.00 0.00 O ATOM 1058 CB VAL A 97 -1.014 6.874 -7.374 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -1.812 7.097 -6.067 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -0.066 5.698 -7.344 1.00 0.00 C ATOM 0 H VAL A 97 -3.447 6.012 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.528 8.136 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.312 7.708 -7.408 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.169 6.897 -5.210 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.161 8.129 -6.025 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.668 6.423 -6.044 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.418 5.645 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.622 4.778 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 97 0.691 5.821 -8.118 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.421 6.579 -10.584 1.00 0.00 N ATOM 1071 CA GLN A 98 0.212 5.726 -11.577 1.00 0.00 C ATOM 1072 C GLN A 98 1.579 5.300 -11.037 1.00 0.00 C ATOM 1073 O GLN A 98 2.095 5.918 -10.107 1.00 0.00 O ATOM 1074 CB GLN A 98 0.292 6.511 -12.895 1.00 0.00 C ATOM 1075 CG GLN A 98 0.405 5.592 -14.123 1.00 0.00 C ATOM 1076 CD GLN A 98 0.615 6.382 -15.410 1.00 0.00 C ATOM 1077 OE1 GLN A 98 0.003 7.426 -15.635 1.00 0.00 O ATOM 1078 NE2 GLN A 98 1.512 5.930 -16.267 1.00 0.00 N ATOM 0 H GLN A 98 0.013 7.499 -10.505 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.355 4.816 -11.774 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.594 7.138 -12.995 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.153 7.179 -12.865 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.235 4.900 -13.983 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.500 4.991 -14.210 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.014 5.064 -16.071 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.703 6.447 -17.125 1.00 0.00 H new ATOM 1087 N ASP A 99 2.173 4.254 -11.614 1.00 0.00 N ATOM 1088 CA ASP A 99 3.502 3.694 -11.323 1.00 0.00 C ATOM 1089 C ASP A 99 3.535 2.879 -10.025 1.00 0.00 C ATOM 1090 O ASP A 99 4.172 1.831 -9.988 1.00 0.00 O ATOM 1091 CB ASP A 99 4.588 4.781 -11.325 1.00 0.00 C ATOM 1092 CG ASP A 99 5.986 4.218 -11.589 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.566 4.582 -12.641 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.560 3.532 -10.714 1.00 0.00 O ATOM 0 H ASP A 99 1.704 3.733 -12.355 1.00 0.00 H new ATOM 0 HA ASP A 99 3.721 2.998 -12.133 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.351 5.525 -12.086 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.583 5.295 -10.364 1.00 0.00 H new ATOM 1100 N ALA A 100 2.810 3.302 -8.979 1.00 0.00 N ATOM 1101 CA ALA A 100 2.703 2.534 -7.739 1.00 0.00 C ATOM 1102 C ALA A 100 2.034 1.180 -7.984 1.00 0.00 C ATOM 1103 O ALA A 100 1.279 1.012 -8.950 1.00 0.00 O ATOM 1104 CB ALA A 100 1.873 3.301 -6.709 1.00 0.00 C ATOM 0 H ALA A 100 2.288 4.178 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 100 3.715 2.376 -7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.802 2.717 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.351 4.257 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.873 3.477 -7.106 1.00 0.00 H new ATOM 1110 N THR A 101 2.221 0.264 -7.033 1.00 0.00 N ATOM 1111 CA THR A 101 1.669 -1.089 -7.068 1.00 0.00 C ATOM 1112 C THR A 101 1.569 -1.652 -5.634 1.00 0.00 C ATOM 1113 O THR A 101 2.252 -1.133 -4.746 1.00 0.00 O ATOM 1114 CB THR A 101 2.590 -1.998 -7.922 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.967 -1.834 -7.619 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.438 -1.797 -9.432 1.00 0.00 C ATOM 0 H THR A 101 2.775 0.448 -6.196 1.00 0.00 H new ATOM 0 HA THR A 101 0.673 -1.061 -7.510 1.00 0.00 H new ATOM 0 HB THR A 101 2.257 -3.001 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.500 -2.431 -8.185 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.116 -2.469 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.411 -2.013 -9.726 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.679 -0.765 -9.688 1.00 0.00 H new ATOM 1124 N ALA A 102 0.794 -2.730 -5.398 1.00 0.00 N ATOM 1125 CA ALA A 102 0.669 -3.429 -4.117 1.00 0.00 C ATOM 1126 C ALA A 102 0.509 -4.958 -4.282 1.00 0.00 C ATOM 1127 O ALA A 102 -0.608 -5.480 -4.259 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.518 -2.832 -3.345 1.00 0.00 C ATOM 0 H ALA A 102 0.218 -3.149 -6.128 1.00 0.00 H new ATOM 0 HA ALA A 102 1.593 -3.285 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.624 -3.343 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.342 -1.770 -3.172 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.431 -2.959 -3.927 1.00 0.00 H new ATOM 1134 N HIS A 103 1.624 -5.685 -4.396 1.00 0.00 N ATOM 1135 CA HIS A 103 1.674 -7.144 -4.523 1.00 0.00 C ATOM 1136 C HIS A 103 1.942 -7.750 -3.138 1.00 0.00 C ATOM 1137 O HIS A 103 3.020 -7.589 -2.564 1.00 0.00 O ATOM 1138 CB HIS A 103 2.734 -7.519 -5.579 1.00 0.00 C ATOM 1139 CG HIS A 103 3.355 -8.898 -5.515 1.00 0.00 C ATOM 1140 ND1 HIS A 103 4.585 -9.227 -6.042 1.00 0.00 N ATOM 1141 CD2 HIS A 103 2.817 -10.047 -4.998 1.00 0.00 C ATOM 1142 CE1 HIS A 103 4.791 -10.534 -5.812 1.00 0.00 C ATOM 1143 NE2 HIS A 103 3.754 -11.070 -5.156 1.00 0.00 N ATOM 0 H HIS A 103 2.550 -5.258 -4.403 1.00 0.00 H new ATOM 0 HA HIS A 103 0.726 -7.554 -4.871 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.278 -7.405 -6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.540 -6.788 -5.515 1.00 0.00 H new ATOM 0 HD2 HIS A 103 1.840 -10.144 -4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 103 5.673 -11.079 -6.115 1.00 0.00 H new ATOM 0 HE2 HIS A 103 3.666 -12.034 -4.835 1.00 0.00 H new ATOM 1152 N LEU A 104 0.963 -8.483 -2.605 1.00 0.00 N ATOM 1153 CA LEU A 104 1.101 -9.297 -1.400 1.00 0.00 C ATOM 1154 C LEU A 104 1.806 -10.587 -1.814 1.00 0.00 C ATOM 1155 O LEU A 104 1.237 -11.403 -2.532 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.284 -9.520 -0.767 1.00 0.00 C ATOM 1157 CG LEU A 104 -0.438 -10.644 0.267 1.00 0.00 C ATOM 1158 CD1 LEU A 104 -0.803 -12.022 -0.271 1.00 0.00 C ATOM 1159 CD2 LEU A 104 0.703 -10.645 1.286 1.00 0.00 C ATOM 0 H LEU A 104 0.029 -8.527 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 104 1.700 -8.811 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.587 -8.587 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.992 -9.711 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.348 -10.385 0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.882 -12.727 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.758 -11.967 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.030 -12.359 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.554 -11.456 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.652 -10.786 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.717 -9.693 1.817 1.00 0.00 H new ATOM 1171 N ASP A 105 3.058 -10.733 -1.387 1.00 0.00 N ATOM 1172 CA ASP A 105 3.935 -11.871 -1.643 1.00 0.00 C ATOM 1173 C ASP A 105 3.889 -12.723 -0.380 1.00 0.00 C ATOM 1174 O ASP A 105 4.779 -12.657 0.480 1.00 0.00 O ATOM 1175 CB ASP A 105 5.356 -11.363 -1.954 1.00 0.00 C ATOM 1176 CG ASP A 105 6.102 -12.037 -3.105 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.042 -11.381 -3.635 1.00 0.00 O ATOM 1178 OD2 ASP A 105 5.814 -13.220 -3.415 1.00 0.00 O ATOM 0 H ASP A 105 3.513 -10.018 -0.820 1.00 0.00 H new ATOM 0 HA ASP A 105 3.623 -12.462 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.294 -10.296 -2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.958 -11.471 -1.052 1.00 0.00 H new ATOM 1184 N VAL A 106 2.802 -13.473 -0.195 1.00 0.00 N ATOM 1185 CA VAL A 106 2.595 -14.276 1.000 1.00 0.00 C ATOM 1186 C VAL A 106 3.767 -15.225 1.229 1.00 0.00 C ATOM 1187 O VAL A 106 4.158 -15.445 2.378 1.00 0.00 O ATOM 1188 CB VAL A 106 1.241 -15.002 0.907 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.244 -16.308 0.103 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.669 -15.221 2.304 1.00 0.00 C ATOM 0 H VAL A 106 2.043 -13.538 -0.873 1.00 0.00 H new ATOM 0 HA VAL A 106 2.558 -13.628 1.876 1.00 0.00 H new ATOM 0 HB VAL A 106 0.597 -14.336 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.242 -16.736 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.553 -16.104 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.939 -17.014 0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.289 -15.735 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.361 -15.827 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.526 -14.258 2.794 1.00 0.00 H new ATOM 1200 N GLY A 107 4.361 -15.743 0.151 1.00 0.00 N ATOM 1201 CA GLY A 107 5.468 -16.662 0.257 1.00 0.00 C ATOM 1202 C GLY A 107 6.739 -15.982 0.743 1.00 0.00 C ATOM 1203 O GLY A 107 7.516 -16.647 1.426 1.00 0.00 O ATOM 0 H GLY A 107 4.082 -15.532 -0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.204 -17.467 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.652 -17.119 -0.715 1.00 0.00 H new ATOM 1207 N GLN A 108 6.952 -14.686 0.462 1.00 0.00 N ATOM 1208 CA GLN A 108 8.113 -13.977 1.002 1.00 0.00 C ATOM 1209 C GLN A 108 7.807 -13.324 2.352 1.00 0.00 C ATOM 1210 O GLN A 108 8.690 -12.716 2.949 1.00 0.00 O ATOM 1211 CB GLN A 108 8.660 -12.949 -0.007 1.00 0.00 C ATOM 1212 CG GLN A 108 8.826 -13.488 -1.440 1.00 0.00 C ATOM 1213 CD GLN A 108 9.543 -14.835 -1.535 1.00 0.00 C ATOM 1214 OE1 GLN A 108 10.425 -15.168 -0.746 1.00 0.00 O ATOM 1215 NE2 GLN A 108 9.177 -15.655 -2.496 1.00 0.00 N ATOM 0 H GLN A 108 6.343 -14.119 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 108 8.891 -14.720 1.175 1.00 0.00 H new ATOM 0 HB2 GLN A 108 7.990 -12.090 -0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.626 -12.590 0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.840 -13.583 -1.895 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.378 -12.755 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.445 -15.379 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.625 -16.567 -2.586 1.00 0.00 H new ATOM 1224 N GLN A 109 6.555 -13.413 2.815 1.00 0.00 N ATOM 1225 CA GLN A 109 5.959 -12.547 3.821 1.00 0.00 C ATOM 1226 C GLN A 109 6.344 -11.080 3.602 1.00 0.00 C ATOM 1227 O GLN A 109 6.619 -10.346 4.551 1.00 0.00 O ATOM 1228 CB GLN A 109 6.210 -13.058 5.249 1.00 0.00 C ATOM 1229 CG GLN A 109 5.598 -14.448 5.448 1.00 0.00 C ATOM 1230 CD GLN A 109 5.218 -14.706 6.900 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.963 -15.305 7.667 1.00 0.00 O ATOM 1232 NE2 GLN A 109 4.075 -14.215 7.351 1.00 0.00 N ATOM 0 H GLN A 109 5.906 -14.125 2.479 1.00 0.00 H new ATOM 0 HA GLN A 109 4.877 -12.586 3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 109 7.282 -13.097 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.782 -12.361 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.713 -14.547 4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.309 -15.207 5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 109 3.450 -13.715 6.719 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.819 -14.336 8.331 1.00 0.00 H new ATOM 1241 N ARG A 110 6.285 -10.622 2.349 1.00 0.00 N ATOM 1242 CA ARG A 110 6.558 -9.237 1.984 1.00 0.00 C ATOM 1243 C ARG A 110 5.325 -8.698 1.294 1.00 0.00 C ATOM 1244 O ARG A 110 4.797 -9.324 0.378 1.00 0.00 O ATOM 1245 CB ARG A 110 7.791 -9.162 1.078 1.00 0.00 C ATOM 1246 CG ARG A 110 8.179 -7.722 0.709 1.00 0.00 C ATOM 1247 CD ARG A 110 9.226 -7.726 -0.411 1.00 0.00 C ATOM 1248 NE ARG A 110 10.544 -8.132 0.092 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.701 -8.125 -0.572 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.732 -8.111 -1.903 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.821 -8.114 0.134 1.00 0.00 N ATOM 0 H ARG A 110 6.043 -11.212 1.553 1.00 0.00 H new ATOM 0 HA ARG A 110 6.777 -8.635 2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.632 -9.642 1.578 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.599 -9.726 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.295 -7.170 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.575 -7.208 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.912 -8.406 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.293 -6.732 -0.852 1.00 0.00 H new ATOM 0 HE ARG A 110 10.579 -8.456 1.059 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.861 -8.105 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.627 -8.106 -2.392 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.781 -8.111 1.153 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.723 -8.108 -0.341 1.00 0.00 H new ATOM 1265 N LEU A 111 4.869 -7.523 1.701 1.00 0.00 N ATOM 1266 CA LEU A 111 4.016 -6.708 0.872 1.00 0.00 C ATOM 1267 C LEU A 111 4.947 -5.872 0.004 1.00 0.00 C ATOM 1268 O LEU A 111 5.536 -4.904 0.486 1.00 0.00 O ATOM 1269 CB LEU A 111 3.062 -5.874 1.725 1.00 0.00 C ATOM 1270 CG LEU A 111 2.322 -4.749 0.998 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.500 -5.289 -0.182 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.483 -3.996 2.051 1.00 0.00 C ATOM 0 H LEU A 111 5.082 -7.116 2.611 1.00 0.00 H new ATOM 0 HA LEU A 111 3.363 -7.306 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.323 -6.542 2.167 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.629 -5.437 2.547 1.00 0.00 H new ATOM 0 HG LEU A 111 3.020 -4.047 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.987 -4.464 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.164 -5.781 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.765 -6.006 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.939 -3.184 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.774 -4.684 2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.142 -3.587 2.817 1.00 0.00 H new ATOM 1284 N ASN A 112 5.127 -6.281 -1.250 1.00 0.00 N ATOM 1285 CA ASN A 112 5.811 -5.477 -2.252 1.00 0.00 C ATOM 1286 C ASN A 112 4.924 -4.272 -2.497 1.00 0.00 C ATOM 1287 O ASN A 112 3.773 -4.424 -2.913 1.00 0.00 O ATOM 1288 CB ASN A 112 5.990 -6.201 -3.594 1.00 0.00 C ATOM 1289 CG ASN A 112 6.960 -7.361 -3.581 1.00 0.00 C ATOM 1290 OD1 ASN A 112 6.509 -8.522 -3.157 1.00 0.00 O flip ATOM 1291 ND2 ASN A 112 8.117 -7.225 -3.972 1.00 0.00 N flip ATOM 0 H ASN A 112 4.800 -7.183 -1.598 1.00 0.00 H new ATOM 0 HA ASN A 112 6.807 -5.234 -1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.017 -6.567 -3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.326 -5.477 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.442 -6.314 -4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.752 -8.023 -3.973 1.00 0.00 H new ATOM 1298 N LEU A 113 5.445 -3.085 -2.227 1.00 0.00 N ATOM 1299 CA LEU A 113 4.744 -1.833 -2.384 1.00 0.00 C ATOM 1300 C LEU A 113 5.718 -0.906 -3.100 1.00 0.00 C ATOM 1301 O LEU A 113 6.899 -0.849 -2.747 1.00 0.00 O ATOM 1302 CB LEU A 113 4.373 -1.324 -0.979 1.00 0.00 C ATOM 1303 CG LEU A 113 2.978 -0.707 -0.772 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.789 0.665 -1.417 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.877 -1.648 -1.251 1.00 0.00 C ATOM 0 H LEU A 113 6.398 -2.970 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 113 3.821 -1.908 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.474 -2.159 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.113 -0.578 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 113 2.903 -0.559 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.778 1.023 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.510 1.366 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.943 0.585 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.905 -1.182 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.010 -1.853 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.928 -2.582 -0.692 1.00 0.00 H new ATOM 1317 N THR A 114 5.238 -0.167 -4.087 1.00 0.00 N ATOM 1318 CA THR A 114 6.016 0.881 -4.725 1.00 0.00 C ATOM 1319 C THR A 114 5.150 2.125 -4.692 1.00 0.00 C ATOM 1320 O THR A 114 3.934 1.999 -4.831 1.00 0.00 O ATOM 1321 CB THR A 114 6.344 0.494 -6.183 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.906 -0.804 -6.287 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.310 1.491 -6.837 1.00 0.00 C ATOM 0 H THR A 114 4.298 -0.277 -4.468 1.00 0.00 H new ATOM 0 HA THR A 114 6.964 1.042 -4.212 1.00 0.00 H new ATOM 0 HB THR A 114 5.388 0.511 -6.706 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.095 -1.004 -7.228 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.514 1.181 -7.862 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.860 2.484 -6.841 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.243 1.517 -6.273 1.00 0.00 H new ATOM 1331 N ILE A 115 5.755 3.306 -4.557 1.00 0.00 N ATOM 1332 CA ILE A 115 5.134 4.584 -4.878 1.00 0.00 C ATOM 1333 C ILE A 115 6.205 5.418 -5.584 1.00 0.00 C ATOM 1334 O ILE A 115 7.334 5.484 -5.087 1.00 0.00 O ATOM 1335 CB ILE A 115 4.575 5.273 -3.612 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.353 4.501 -3.071 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.164 6.738 -3.836 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.780 5.150 -1.818 1.00 0.00 C ATOM 0 H ILE A 115 6.711 3.399 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 115 4.270 4.456 -5.531 1.00 0.00 H new ATOM 0 HB ILE A 115 5.393 5.265 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.583 4.455 -3.841 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.642 3.474 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.782 7.155 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.030 7.313 -4.162 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.388 6.785 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.922 4.575 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.542 5.172 -1.039 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.466 6.168 -2.047 1.00 0.00 H new ATOM 1350 N PRO A 116 5.855 6.088 -6.695 1.00 0.00 N ATOM 1351 CA PRO A 116 6.757 6.969 -7.409 1.00 0.00 C ATOM 1352 C PRO A 116 7.166 8.153 -6.542 1.00 0.00 C ATOM 1353 O PRO A 116 6.382 8.643 -5.726 1.00 0.00 O ATOM 1354 CB PRO A 116 5.966 7.471 -8.619 1.00 0.00 C ATOM 1355 CG PRO A 116 4.520 7.374 -8.175 1.00 0.00 C ATOM 1356 CD PRO A 116 4.535 6.138 -7.300 1.00 0.00 C ATOM 0 HA PRO A 116 7.671 6.447 -7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.237 8.495 -8.877 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.155 6.860 -9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.203 8.259 -7.623 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.841 7.266 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.758 6.191 -6.537 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.342 5.241 -7.889 1.00 0.00 H new ATOM 1364 N GLN A 117 8.350 8.699 -6.806 1.00 0.00 N ATOM 1365 CA GLN A 117 8.863 9.879 -6.104 1.00 0.00 C ATOM 1366 C GLN A 117 7.937 11.092 -6.216 1.00 0.00 C ATOM 1367 O GLN A 117 7.997 11.994 -5.377 1.00 0.00 O ATOM 1368 CB GLN A 117 10.275 10.243 -6.591 1.00 0.00 C ATOM 1369 CG GLN A 117 11.367 9.370 -5.961 1.00 0.00 C ATOM 1370 CD GLN A 117 11.333 9.407 -4.428 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.075 10.449 -3.827 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.545 8.284 -3.764 1.00 0.00 N ATOM 0 H GLN A 117 8.986 8.336 -7.516 1.00 0.00 H new ATOM 0 HA GLN A 117 8.908 9.607 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.317 10.142 -7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.475 11.289 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.246 8.341 -6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.344 9.707 -6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 117 11.758 7.425 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.495 8.277 -2.745 1.00 0.00 H new ATOM 1381 N ALA A 118 7.068 11.123 -7.224 1.00 0.00 N ATOM 1382 CA ALA A 118 6.055 12.148 -7.351 1.00 0.00 C ATOM 1383 C ALA A 118 5.091 12.150 -6.155 1.00 0.00 C ATOM 1384 O ALA A 118 4.745 13.225 -5.666 1.00 0.00 O ATOM 1385 CB ALA A 118 5.325 11.945 -8.675 1.00 0.00 C ATOM 0 H ALA A 118 7.053 10.432 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 118 6.529 13.130 -7.349 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.557 12.710 -8.788 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.036 12.021 -9.498 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.860 10.959 -8.687 1.00 0.00 H new ATOM 1391 N PHE A 119 4.671 10.981 -5.641 1.00 0.00 N ATOM 1392 CA PHE A 119 3.663 10.914 -4.596 1.00 0.00 C ATOM 1393 C PHE A 119 4.384 10.624 -3.274 1.00 0.00 C ATOM 1394 O PHE A 119 3.850 9.960 -2.388 1.00 0.00 O ATOM 1395 CB PHE A 119 2.614 9.839 -4.953 1.00 0.00 C ATOM 1396 CG PHE A 119 1.718 10.071 -6.164 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.275 10.274 -7.434 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.319 9.963 -6.060 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.474 10.386 -8.572 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.489 10.075 -7.211 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.085 10.278 -8.473 1.00 0.00 C ATOM 0 H PHE A 119 5.023 10.072 -5.941 1.00 0.00 H new ATOM 0 HA PHE A 119 3.121 11.854 -4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.143 8.898 -5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 119 1.969 9.704 -4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.348 10.345 -7.535 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -0.138 9.794 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 119 1.931 10.557 -9.535 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.563 10.003 -7.118 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.536 10.350 -9.354 1.00 0.00 H new ATOM 1411 N MET A 120 5.563 11.210 -3.069 1.00 0.00 N ATOM 1412 CA MET A 120 6.380 11.017 -1.880 1.00 0.00 C ATOM 1413 C MET A 120 6.703 12.386 -1.305 1.00 0.00 C ATOM 1414 O MET A 120 6.660 13.392 -2.019 1.00 0.00 O ATOM 1415 CB MET A 120 7.652 10.236 -2.249 1.00 0.00 C ATOM 1416 CG MET A 120 7.334 8.789 -2.656 1.00 0.00 C ATOM 1417 SD MET A 120 7.998 7.526 -1.538 1.00 0.00 S ATOM 1418 CE MET A 120 7.016 7.851 -0.044 1.00 0.00 C ATOM 0 H MET A 120 5.984 11.848 -3.745 1.00 0.00 H new ATOM 0 HA MET A 120 5.849 10.434 -1.127 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.163 10.740 -3.069 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.336 10.233 -1.400 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.252 8.671 -2.714 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.728 8.612 -3.657 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.423 7.280 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 120 7.053 8.915 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.982 7.554 -0.217 1.00 0.00 H new ATOM 1428 N SER A 121 6.996 12.444 -0.008 1.00 0.00 N ATOM 1429 CA SER A 121 7.295 13.684 0.693 1.00 0.00 C ATOM 1430 C SER A 121 8.770 13.695 1.138 1.00 0.00 C ATOM 1431 O SER A 121 9.077 13.991 2.292 1.00 0.00 O ATOM 1432 CB SER A 121 6.268 13.898 1.816 1.00 0.00 C ATOM 1433 OG SER A 121 6.219 15.267 2.164 1.00 0.00 O ATOM 0 H SER A 121 7.032 11.619 0.591 1.00 0.00 H new ATOM 0 HA SER A 121 7.193 14.547 0.035 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.284 13.560 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.538 13.301 2.687 1.00 0.00 H new ATOM 0 HG SER A 121 5.562 15.399 2.879 1.00 0.00 H new