USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=23 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 63 CYS SG : rot 180:sc= 1.05 USER MOD Set 1.2: A 90 CYS SG : rot -30:sc= 1.32 USER MOD Set 2.1: A 76 THR OG1 : rot 92:sc= 0.124 USER MOD Set 2.2: A 83 ASN : amide:sc= -1.4! X(o=-1.3!,f=-0.77) USER MOD Set 3.1: A 82 MET CE :methyl -117:sc= -3.29! (180deg=-5.23!) USER MOD Set 3.2: A 96 MET CE :methyl -179:sc= -0.874 (180deg=-0.779) USER MOD Set 4.1: A 32 THR OG1 : rot -162:sc= 1.23 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.00114 USER MOD Single : A 26 GLN : amide:sc= -0.604 X(o=-0.6,f=-0.31) USER MOD Single : A 33 TYR OH : rot 150:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.947 K(o=0.95,f=-6.2!) USER MOD Single : A 41 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -97:sc= 1.27 USER MOD Single : A 52 ASN : amide:sc= -0.604 K(o=-0.6,f=0) USER MOD Single : A 53 THR OG1 : rot 84:sc= 0.114 USER MOD Single : A 56 SER OG : rot 36:sc= 0.344 USER MOD Single : A 58 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.3!) USER MOD Single : A 65 THR OG1 : rot 134:sc= 1.16 USER MOD Single : A 68 GLN : amide:sc= -0.0475 K(o=-0.048,f=-0.78) USER MOD Single : A 71 SER OG : rot 68:sc= 0.407 USER MOD Single : A 72 MET CE :methyl 164:sc= -2.04! (180deg=-2.88!) USER MOD Single : A 75 ASN : amide:sc= -0.269 K(o=-0.27,f=-8.1!) USER MOD Single : A 78 SER OG : rot -61:sc= 0.563 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.13) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.873 X(o=-0.87,f=-1.2) USER MOD Single : A 108 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.42) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.677 X(o=-0.68,f=-0.23) USER MOD Single : A 114 THR OG1 : rot 23:sc= 0.974 USER MOD Single : A 117 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.21) USER MOD Single : A 120 MET CE :methyl -175:sc= -0.0606 (180deg=-0.136) USER MOD Single : A 121 SER OG : rot 180:sc= 0.0343 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -7.968 -14.419 -10.743 1.00 0.00 N ATOM 9 CA GLN A 26 -8.357 -14.345 -9.340 1.00 0.00 C ATOM 10 C GLN A 26 -7.959 -15.676 -8.736 1.00 0.00 C ATOM 11 O GLN A 26 -8.459 -16.734 -9.107 1.00 0.00 O ATOM 12 CB GLN A 26 -9.835 -13.984 -9.165 1.00 0.00 C ATOM 13 CG GLN A 26 -10.535 -14.502 -7.898 1.00 0.00 C ATOM 14 CD GLN A 26 -10.024 -14.158 -6.490 1.00 0.00 C ATOM 15 OE1 GLN A 26 -10.718 -14.477 -5.525 1.00 0.00 O ATOM 16 NE2 GLN A 26 -8.845 -13.599 -6.266 1.00 0.00 N ATOM 0 HA GLN A 26 -7.849 -13.536 -8.816 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.922 -12.898 -9.180 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.380 -14.360 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.570 -14.163 -7.949 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.552 -15.589 -7.970 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.253 -13.326 -7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.529 -13.441 -5.309 1.00 0.00 H new ATOM 25 N GLU A 27 -6.987 -15.595 -7.844 1.00 0.00 N ATOM 26 CA GLU A 27 -6.176 -16.716 -7.424 1.00 0.00 C ATOM 27 C GLU A 27 -5.768 -16.569 -5.959 1.00 0.00 C ATOM 28 O GLU A 27 -4.936 -17.320 -5.444 1.00 0.00 O ATOM 29 CB GLU A 27 -4.983 -16.817 -8.397 1.00 0.00 C ATOM 30 CG GLU A 27 -4.261 -15.470 -8.623 1.00 0.00 C ATOM 31 CD GLU A 27 -3.302 -15.503 -9.810 1.00 0.00 C ATOM 32 OE1 GLU A 27 -3.784 -15.730 -10.945 1.00 0.00 O ATOM 33 OE2 GLU A 27 -2.102 -15.188 -9.641 1.00 0.00 O ATOM 0 H GLU A 27 -6.736 -14.721 -7.381 1.00 0.00 H new ATOM 0 HA GLU A 27 -6.733 -17.652 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.268 -17.544 -8.010 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.336 -17.197 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.003 -14.688 -8.783 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.708 -15.204 -7.722 1.00 0.00 H new ATOM 41 N LEU A 28 -6.436 -15.652 -5.260 1.00 0.00 N ATOM 42 CA LEU A 28 -6.277 -15.368 -3.844 1.00 0.00 C ATOM 43 C LEU A 28 -7.540 -14.677 -3.307 1.00 0.00 C ATOM 44 O LEU A 28 -7.778 -13.525 -3.664 1.00 0.00 O ATOM 45 CB LEU A 28 -5.033 -14.494 -3.596 1.00 0.00 C ATOM 46 CG LEU A 28 -3.809 -15.254 -3.055 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.692 -14.257 -2.743 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.135 -15.982 -1.749 1.00 0.00 C ATOM 0 H LEU A 28 -7.141 -15.057 -5.696 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.135 -16.309 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.756 -14.006 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.295 -13.706 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.510 -15.976 -3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.823 -14.792 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.417 -13.723 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.039 -13.545 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.249 -16.508 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.451 -15.258 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.937 -16.699 -1.923 1.00 0.00 H new ATOM 60 N PRO A 29 -8.377 -15.347 -2.501 1.00 0.00 N ATOM 61 CA PRO A 29 -9.595 -14.766 -1.938 1.00 0.00 C ATOM 62 C PRO A 29 -9.268 -13.878 -0.717 1.00 0.00 C ATOM 63 O PRO A 29 -8.255 -14.138 -0.058 1.00 0.00 O ATOM 64 CB PRO A 29 -10.442 -15.980 -1.548 1.00 0.00 C ATOM 65 CG PRO A 29 -9.396 -17.032 -1.168 1.00 0.00 C ATOM 66 CD PRO A 29 -8.200 -16.715 -2.058 1.00 0.00 C ATOM 0 HA PRO A 29 -10.116 -14.113 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.108 -15.755 -0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.068 -16.316 -2.374 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.134 -16.968 -0.112 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.766 -18.042 -1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.265 -16.828 -1.509 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.155 -17.397 -2.907 1.00 0.00 H new ATOM 74 N PRO A 30 -10.102 -12.868 -0.380 1.00 0.00 N ATOM 75 CA PRO A 30 -9.758 -11.770 0.532 1.00 0.00 C ATOM 76 C PRO A 30 -9.605 -12.168 2.016 1.00 0.00 C ATOM 77 O PRO A 30 -9.812 -13.326 2.389 1.00 0.00 O ATOM 78 CB PRO A 30 -10.816 -10.692 0.292 1.00 0.00 C ATOM 79 CG PRO A 30 -12.026 -11.475 -0.190 1.00 0.00 C ATOM 80 CD PRO A 30 -11.402 -12.623 -0.980 1.00 0.00 C ATOM 0 HA PRO A 30 -8.755 -11.405 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.036 -10.137 1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.487 -9.966 -0.452 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.629 -11.839 0.642 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.679 -10.865 -0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.027 -13.514 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.302 -12.361 -2.033 1.00 0.00 H new ATOM 88 N GLY A 31 -9.212 -11.213 2.873 1.00 0.00 N ATOM 89 CA GLY A 31 -8.890 -11.470 4.280 1.00 0.00 C ATOM 90 C GLY A 31 -8.032 -10.354 4.890 1.00 0.00 C ATOM 91 O GLY A 31 -8.185 -9.196 4.504 1.00 0.00 O ATOM 0 H GLY A 31 -9.109 -10.234 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.814 -11.569 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.361 -12.419 4.363 1.00 0.00 H new ATOM 95 N THR A 32 -7.133 -10.676 5.828 1.00 0.00 N ATOM 96 CA THR A 32 -6.028 -9.813 6.255 1.00 0.00 C ATOM 97 C THR A 32 -4.746 -10.642 6.338 1.00 0.00 C ATOM 98 O THR A 32 -4.799 -11.796 6.774 1.00 0.00 O ATOM 99 CB THR A 32 -6.372 -9.066 7.561 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.345 -8.143 7.841 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.548 -9.967 8.783 1.00 0.00 C ATOM 0 H THR A 32 -7.156 -11.567 6.323 1.00 0.00 H new ATOM 0 HA THR A 32 -5.860 -9.029 5.517 1.00 0.00 H new ATOM 0 HB THR A 32 -7.334 -8.585 7.386 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.391 -7.878 8.783 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.788 -9.357 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.358 -10.673 8.601 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.624 -10.515 8.967 1.00 0.00 H new ATOM 109 N TYR A 33 -3.611 -10.098 5.875 1.00 0.00 N ATOM 110 CA TYR A 33 -2.325 -10.797 5.860 1.00 0.00 C ATOM 111 C TYR A 33 -1.254 -10.018 6.599 1.00 0.00 C ATOM 112 O TYR A 33 -1.047 -8.831 6.350 1.00 0.00 O ATOM 113 CB TYR A 33 -1.842 -11.200 4.454 1.00 0.00 C ATOM 114 CG TYR A 33 -2.179 -10.363 3.219 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.763 -9.023 3.038 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.828 -11.012 2.154 1.00 0.00 C ATOM 117 CE1 TYR A 33 -2.105 -8.304 1.868 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.160 -10.316 0.983 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.822 -8.954 0.835 1.00 0.00 C ATOM 120 OH TYR A 33 -3.104 -8.315 -0.333 1.00 0.00 O ATOM 0 H TYR A 33 -3.563 -9.152 5.498 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.506 -11.731 6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.755 -11.270 4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.219 -12.206 4.267 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.175 -8.541 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.074 -12.060 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.821 -7.267 1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.680 -10.827 0.186 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.147 -8.969 -1.062 1.00 0.00 H new ATOM 130 N ARG A 34 -0.562 -10.714 7.501 1.00 0.00 N ATOM 131 CA ARG A 34 0.638 -10.245 8.173 1.00 0.00 C ATOM 132 C ARG A 34 1.769 -10.206 7.154 1.00 0.00 C ATOM 133 O ARG A 34 2.062 -11.251 6.574 1.00 0.00 O ATOM 134 CB ARG A 34 0.929 -11.197 9.345 1.00 0.00 C ATOM 135 CG ARG A 34 2.137 -10.807 10.202 1.00 0.00 C ATOM 136 CD ARG A 34 1.953 -9.427 10.834 1.00 0.00 C ATOM 137 NE ARG A 34 3.037 -9.129 11.776 1.00 0.00 N ATOM 138 CZ ARG A 34 2.908 -8.841 13.077 1.00 0.00 C ATOM 139 NH1 ARG A 34 1.743 -8.935 13.717 1.00 0.00 N ATOM 140 NH2 ARG A 34 3.971 -8.434 13.745 1.00 0.00 N ATOM 0 H ARG A 34 -0.836 -11.653 7.790 1.00 0.00 H new ATOM 0 HA ARG A 34 0.522 -9.240 8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.047 -11.244 9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.090 -12.200 8.949 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.284 -11.551 10.985 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.037 -10.810 9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.926 -8.667 10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.995 -9.386 11.352 1.00 0.00 H new ATOM 0 HE ARG A 34 3.986 -9.143 11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.908 -9.236 13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.686 -8.706 14.709 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.869 -8.344 13.269 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.895 -8.209 14.737 1.00 0.00 H new ATOM 154 N VAL A 35 2.356 -9.032 6.915 1.00 0.00 N ATOM 155 CA VAL A 35 3.552 -8.803 6.105 1.00 0.00 C ATOM 156 C VAL A 35 4.258 -7.567 6.616 1.00 0.00 C ATOM 157 O VAL A 35 3.739 -6.801 7.439 1.00 0.00 O ATOM 158 CB VAL A 35 3.213 -8.690 4.599 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.731 -10.001 3.992 1.00 0.00 C ATOM 160 CG2 VAL A 35 2.190 -7.586 4.276 1.00 0.00 C ATOM 0 H VAL A 35 1.987 -8.165 7.305 1.00 0.00 H new ATOM 0 HA VAL A 35 4.218 -9.661 6.200 1.00 0.00 H new ATOM 0 HB VAL A 35 4.165 -8.419 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.510 -9.853 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.508 -10.758 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.829 -10.331 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.002 -7.567 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.258 -7.788 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.584 -6.621 4.593 1.00 0.00 H new ATOM 170 N ASP A 36 5.464 -7.390 6.094 1.00 0.00 N ATOM 171 CA ASP A 36 6.198 -6.165 6.247 1.00 0.00 C ATOM 172 C ASP A 36 5.873 -5.365 4.999 1.00 0.00 C ATOM 173 O ASP A 36 6.043 -5.863 3.885 1.00 0.00 O ATOM 174 CB ASP A 36 7.701 -6.376 6.318 1.00 0.00 C ATOM 175 CG ASP A 36 8.267 -7.069 7.560 1.00 0.00 C ATOM 176 OD1 ASP A 36 7.860 -6.726 8.695 1.00 0.00 O ATOM 177 OD2 ASP A 36 9.193 -7.897 7.384 1.00 0.00 O ATOM 0 H ASP A 36 5.953 -8.102 5.552 1.00 0.00 H new ATOM 0 HA ASP A 36 5.919 -5.674 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.999 -6.957 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.180 -5.401 6.231 1.00 0.00 H new ATOM 183 N ILE A 37 5.367 -4.150 5.148 1.00 0.00 N ATOM 184 CA ILE A 37 5.110 -3.242 4.040 1.00 0.00 C ATOM 185 C ILE A 37 6.478 -2.811 3.509 1.00 0.00 C ATOM 186 O ILE A 37 7.131 -1.986 4.144 1.00 0.00 O ATOM 187 CB ILE A 37 4.188 -2.102 4.518 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.807 -2.702 4.901 1.00 0.00 C ATOM 189 CG2 ILE A 37 4.007 -1.059 3.403 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.535 -2.724 6.408 1.00 0.00 C ATOM 0 H ILE A 37 5.119 -3.761 6.058 1.00 0.00 H new ATOM 0 HA ILE A 37 4.568 -3.697 3.211 1.00 0.00 H new ATOM 0 HB ILE A 37 4.636 -1.612 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.023 -2.127 4.409 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.745 -3.720 4.516 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.354 -0.260 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.977 -0.642 3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.561 -1.534 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.552 -3.157 6.594 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.296 -3.324 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.563 -1.706 6.798 1.00 0.00 H new ATOM 202 N TYR A 38 6.931 -3.386 2.387 1.00 0.00 N ATOM 203 CA TYR A 38 8.130 -2.939 1.686 1.00 0.00 C ATOM 204 C TYR A 38 7.663 -2.047 0.548 1.00 0.00 C ATOM 205 O TYR A 38 7.380 -2.515 -0.556 1.00 0.00 O ATOM 206 CB TYR A 38 8.998 -4.083 1.158 1.00 0.00 C ATOM 207 CG TYR A 38 10.005 -4.649 2.138 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.600 -5.457 3.216 1.00 0.00 C ATOM 209 CD2 TYR A 38 11.369 -4.360 1.961 1.00 0.00 C ATOM 210 CE1 TYR A 38 10.559 -5.963 4.113 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.327 -4.822 2.872 1.00 0.00 C ATOM 212 CZ TYR A 38 11.920 -5.626 3.953 1.00 0.00 C ATOM 213 OH TYR A 38 12.826 -6.052 4.862 1.00 0.00 O ATOM 0 H TYR A 38 6.469 -4.179 1.942 1.00 0.00 H new ATOM 0 HA TYR A 38 8.772 -2.405 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.343 -4.891 0.831 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.534 -3.731 0.277 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.554 -5.689 3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.683 -3.773 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.254 -6.609 4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.368 -4.564 2.746 1.00 0.00 H new ATOM 0 HH TYR A 38 13.718 -5.736 4.607 1.00 0.00 H new ATOM 223 N LEU A 39 7.537 -0.758 0.836 1.00 0.00 N ATOM 224 CA LEU A 39 7.244 0.251 -0.155 1.00 0.00 C ATOM 225 C LEU A 39 8.541 0.584 -0.873 1.00 0.00 C ATOM 226 O LEU A 39 9.499 0.967 -0.218 1.00 0.00 O ATOM 227 CB LEU A 39 6.717 1.492 0.567 1.00 0.00 C ATOM 228 CG LEU A 39 6.338 2.590 -0.436 1.00 0.00 C ATOM 229 CD1 LEU A 39 4.968 2.308 -1.051 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.326 3.955 0.233 1.00 0.00 C ATOM 0 H LEU A 39 7.638 -0.386 1.780 1.00 0.00 H new ATOM 0 HA LEU A 39 6.500 -0.096 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.847 1.226 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.475 1.867 1.254 1.00 0.00 H new ATOM 0 HG LEU A 39 7.089 2.592 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.718 3.098 -1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.992 1.350 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.215 2.275 -0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.055 4.716 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.599 3.956 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.316 4.173 0.633 1.00 0.00 H new ATOM 242 N ASN A 40 8.569 0.488 -2.208 1.00 0.00 N ATOM 243 CA ASN A 40 9.736 0.878 -3.012 1.00 0.00 C ATOM 244 C ASN A 40 10.996 0.190 -2.499 1.00 0.00 C ATOM 245 O ASN A 40 12.042 0.811 -2.273 1.00 0.00 O ATOM 246 CB ASN A 40 9.918 2.405 -3.051 1.00 0.00 C ATOM 247 CG ASN A 40 8.678 3.146 -3.478 1.00 0.00 C ATOM 248 OD1 ASN A 40 7.976 2.686 -4.371 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.368 4.270 -2.852 1.00 0.00 N ATOM 0 H ASN A 40 7.786 0.139 -2.761 1.00 0.00 H new ATOM 0 HA ASN A 40 9.556 0.549 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.217 2.753 -2.062 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.731 2.649 -3.735 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.523 4.780 -3.109 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.974 4.626 -2.113 1.00 0.00 H new ATOM 256 N ASN A 41 10.856 -1.121 -2.287 1.00 0.00 N ATOM 257 CA ASN A 41 11.864 -2.020 -1.753 1.00 0.00 C ATOM 258 C ASN A 41 12.313 -1.648 -0.334 1.00 0.00 C ATOM 259 O ASN A 41 13.335 -2.164 0.119 1.00 0.00 O ATOM 260 CB ASN A 41 13.084 -2.152 -2.684 1.00 0.00 C ATOM 261 CG ASN A 41 12.875 -1.860 -4.162 1.00 0.00 C ATOM 262 OD1 ASN A 41 13.404 -0.883 -4.680 1.00 0.00 O ATOM 263 ND2 ASN A 41 12.139 -2.682 -4.884 1.00 0.00 N ATOM 0 H ASN A 41 9.983 -1.604 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 41 11.374 -2.992 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.862 -1.483 -2.316 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.468 -3.168 -2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.007 -2.507 -5.880 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.702 -3.493 -4.446 1.00 0.00 H new ATOM 270 N GLY A 42 11.593 -0.789 0.387 1.00 0.00 N ATOM 271 CA GLY A 42 11.968 -0.268 1.686 1.00 0.00 C ATOM 272 C GLY A 42 10.905 -0.694 2.677 1.00 0.00 C ATOM 273 O GLY A 42 9.756 -0.277 2.565 1.00 0.00 O ATOM 0 H GLY A 42 10.697 -0.427 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.944 -0.650 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.048 0.819 1.654 1.00 0.00 H new ATOM 277 N TYR A 43 11.281 -1.566 3.608 1.00 0.00 N ATOM 278 CA TYR A 43 10.520 -1.882 4.808 1.00 0.00 C ATOM 279 C TYR A 43 10.060 -0.569 5.455 1.00 0.00 C ATOM 280 O TYR A 43 10.872 0.343 5.598 1.00 0.00 O ATOM 281 CB TYR A 43 11.455 -2.675 5.730 1.00 0.00 C ATOM 282 CG TYR A 43 11.185 -2.528 7.201 1.00 0.00 C ATOM 283 CD1 TYR A 43 10.193 -3.312 7.806 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.919 -1.600 7.956 1.00 0.00 C ATOM 285 CE1 TYR A 43 9.924 -3.163 9.171 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.666 -1.456 9.324 1.00 0.00 C ATOM 287 CZ TYR A 43 10.666 -2.234 9.941 1.00 0.00 C ATOM 288 OH TYR A 43 10.406 -2.059 11.266 1.00 0.00 O ATOM 0 H TYR A 43 12.154 -2.089 3.543 1.00 0.00 H new ATOM 0 HA TYR A 43 9.631 -2.476 4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.386 -3.731 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.481 -2.365 5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.638 -4.029 7.220 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.679 -0.997 7.481 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.151 -3.756 9.637 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.237 -0.749 9.907 1.00 0.00 H new ATOM 0 HH TYR A 43 11.014 -1.383 11.632 1.00 0.00 H new ATOM 298 N MET A 44 8.783 -0.463 5.824 1.00 0.00 N ATOM 299 CA MET A 44 8.188 0.735 6.423 1.00 0.00 C ATOM 300 C MET A 44 7.424 0.377 7.700 1.00 0.00 C ATOM 301 O MET A 44 7.572 1.055 8.716 1.00 0.00 O ATOM 302 CB MET A 44 7.274 1.453 5.405 1.00 0.00 C ATOM 303 CG MET A 44 8.080 2.180 4.320 1.00 0.00 C ATOM 304 SD MET A 44 8.972 3.636 4.887 1.00 0.00 S ATOM 305 CE MET A 44 9.814 3.935 3.323 1.00 0.00 C ATOM 0 H MET A 44 8.116 -1.226 5.712 1.00 0.00 H new ATOM 0 HA MET A 44 8.989 1.422 6.696 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.611 0.725 4.937 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.642 2.170 5.928 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.795 1.479 3.888 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.401 2.476 3.521 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.451 4.815 3.415 1.00 0.00 H new ATOM 0 HE2 MET A 44 10.425 3.069 3.068 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.076 4.102 2.539 1.00 0.00 H new ATOM 315 N ALA A 45 6.605 -0.679 7.678 1.00 0.00 N ATOM 316 CA ALA A 45 5.788 -1.103 8.812 1.00 0.00 C ATOM 317 C ALA A 45 5.624 -2.618 8.789 1.00 0.00 C ATOM 318 O ALA A 45 5.856 -3.246 7.756 1.00 0.00 O ATOM 319 CB ALA A 45 4.435 -0.381 8.769 1.00 0.00 C ATOM 0 H ALA A 45 6.491 -1.272 6.856 1.00 0.00 H new ATOM 0 HA ALA A 45 6.279 -0.837 9.748 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.826 -0.698 9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.595 0.696 8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.921 -0.627 7.840 1.00 0.00 H new ATOM 325 N THR A 46 5.173 -3.189 9.903 1.00 0.00 N ATOM 326 CA THR A 46 4.910 -4.607 10.088 1.00 0.00 C ATOM 327 C THR A 46 3.532 -4.687 10.725 1.00 0.00 C ATOM 328 O THR A 46 3.369 -4.293 11.880 1.00 0.00 O ATOM 329 CB THR A 46 5.979 -5.225 11.007 1.00 0.00 C ATOM 330 OG1 THR A 46 7.273 -4.959 10.514 1.00 0.00 O ATOM 331 CG2 THR A 46 5.778 -6.731 11.185 1.00 0.00 C ATOM 0 H THR A 46 4.972 -2.644 10.742 1.00 0.00 H new ATOM 0 HA THR A 46 4.943 -5.158 9.148 1.00 0.00 H new ATOM 0 HB THR A 46 5.871 -4.760 11.987 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.594 -5.731 10.003 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.554 -7.127 11.840 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.799 -6.918 11.627 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.837 -7.223 10.214 1.00 0.00 H new ATOM 339 N ARG A 47 2.514 -5.111 9.984 1.00 0.00 N ATOM 340 CA ARG A 47 1.195 -5.335 10.565 1.00 0.00 C ATOM 341 C ARG A 47 0.435 -6.310 9.688 1.00 0.00 C ATOM 342 O ARG A 47 0.949 -6.796 8.679 1.00 0.00 O ATOM 343 CB ARG A 47 0.407 -4.027 10.842 1.00 0.00 C ATOM 344 CG ARG A 47 0.882 -2.722 10.174 1.00 0.00 C ATOM 345 CD ARG A 47 -0.208 -1.641 10.242 1.00 0.00 C ATOM 346 NE ARG A 47 -0.498 -1.211 11.623 1.00 0.00 N ATOM 347 CZ ARG A 47 -1.502 -1.610 12.415 1.00 0.00 C ATOM 348 NH1 ARG A 47 -2.479 -2.392 11.975 1.00 0.00 N ATOM 349 NH2 ARG A 47 -1.500 -1.228 13.679 1.00 0.00 N ATOM 0 H ARG A 47 2.576 -5.306 8.985 1.00 0.00 H new ATOM 0 HA ARG A 47 1.325 -5.773 11.555 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.627 -4.194 10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.404 -3.865 11.920 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.785 -2.364 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.143 -2.916 9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.105 -0.778 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.121 -2.022 9.785 1.00 0.00 H new ATOM 0 HE ARG A 47 0.144 -0.527 12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.481 -2.709 11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.228 -2.677 12.606 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.744 -0.641 14.033 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.254 -1.519 14.301 1.00 0.00 H new ATOM 363 N ASP A 48 -0.774 -6.643 10.114 1.00 0.00 N ATOM 364 CA ASP A 48 -1.740 -7.273 9.240 1.00 0.00 C ATOM 365 C ASP A 48 -2.327 -6.179 8.357 1.00 0.00 C ATOM 366 O ASP A 48 -2.560 -5.053 8.809 1.00 0.00 O ATOM 367 CB ASP A 48 -2.800 -8.023 10.046 1.00 0.00 C ATOM 368 CG ASP A 48 -3.833 -7.100 10.687 1.00 0.00 C ATOM 369 OD1 ASP A 48 -5.034 -7.200 10.343 1.00 0.00 O ATOM 370 OD2 ASP A 48 -3.472 -6.409 11.667 1.00 0.00 O ATOM 0 H ASP A 48 -1.106 -6.485 11.065 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.271 -8.029 8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.310 -8.731 9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.309 -8.606 10.826 1.00 0.00 H new ATOM 376 N VAL A 49 -2.522 -6.493 7.085 1.00 0.00 N ATOM 377 CA VAL A 49 -2.994 -5.587 6.057 1.00 0.00 C ATOM 378 C VAL A 49 -4.236 -6.256 5.504 1.00 0.00 C ATOM 379 O VAL A 49 -4.138 -7.252 4.785 1.00 0.00 O ATOM 380 CB VAL A 49 -1.876 -5.312 5.027 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.267 -4.179 4.071 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.573 -4.876 5.711 1.00 0.00 C ATOM 0 H VAL A 49 -2.346 -7.432 6.728 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.251 -4.591 6.418 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.732 -6.247 4.486 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.460 -4.009 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.174 -4.454 3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.445 -3.267 4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.191 -4.691 4.955 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.749 -3.963 6.280 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.234 -5.664 6.384 1.00 0.00 H new ATOM 392 N THR A 50 -5.404 -5.763 5.912 1.00 0.00 N ATOM 393 CA THR A 50 -6.673 -6.242 5.399 1.00 0.00 C ATOM 394 C THR A 50 -6.672 -6.002 3.893 1.00 0.00 C ATOM 395 O THR A 50 -6.356 -4.893 3.466 1.00 0.00 O ATOM 396 CB THR A 50 -7.843 -5.545 6.106 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.631 -5.461 7.511 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.125 -6.326 5.824 1.00 0.00 C ATOM 0 H THR A 50 -5.490 -5.021 6.607 1.00 0.00 H new ATOM 0 HA THR A 50 -6.801 -7.307 5.595 1.00 0.00 H new ATOM 0 HB THR A 50 -7.924 -4.528 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.393 -5.010 7.931 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.964 -5.840 6.322 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.306 -6.352 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.021 -7.344 6.199 1.00 0.00 H new ATOM 406 N PHE A 51 -6.974 -7.016 3.085 1.00 0.00 N ATOM 407 CA PHE A 51 -7.103 -6.935 1.665 1.00 0.00 C ATOM 408 C PHE A 51 -8.501 -7.387 1.275 1.00 0.00 C ATOM 409 O PHE A 51 -9.130 -8.216 1.941 1.00 0.00 O ATOM 410 CB PHE A 51 -6.023 -7.825 1.061 1.00 0.00 C ATOM 411 CG PHE A 51 -6.086 -9.280 1.510 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.571 -9.699 2.751 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.591 -10.245 0.634 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.545 -11.071 3.082 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.476 -11.614 0.932 1.00 0.00 C ATOM 416 CZ PHE A 51 -5.953 -12.036 2.156 1.00 0.00 C ATOM 0 H PHE A 51 -7.140 -7.958 3.440 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.972 -5.918 1.295 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.104 -7.788 -0.025 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.046 -7.418 1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.195 -8.969 3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.074 -9.936 -0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.207 -11.378 4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.796 -12.347 0.206 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.865 -13.088 2.383 1.00 0.00 H new ATOM 426 N ASN A 52 -8.995 -6.835 0.184 1.00 0.00 N ATOM 427 CA ASN A 52 -10.351 -6.985 -0.308 1.00 0.00 C ATOM 428 C ASN A 52 -10.263 -7.308 -1.787 1.00 0.00 C ATOM 429 O ASN A 52 -9.215 -7.122 -2.403 1.00 0.00 O ATOM 430 CB ASN A 52 -11.207 -5.729 -0.059 1.00 0.00 C ATOM 431 CG ASN A 52 -10.429 -4.453 0.241 1.00 0.00 C ATOM 432 OD1 ASN A 52 -10.125 -3.660 -0.641 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.106 -4.232 1.503 1.00 0.00 N ATOM 0 H ASN A 52 -8.429 -6.236 -0.417 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.849 -7.790 0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -11.830 -5.556 -0.936 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.879 -5.928 0.775 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.594 -3.388 1.758 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.369 -4.906 2.222 1.00 0.00 H new ATOM 440 N THR A 53 -11.353 -7.833 -2.341 1.00 0.00 N ATOM 441 CA THR A 53 -11.440 -8.213 -3.737 1.00 0.00 C ATOM 442 C THR A 53 -11.168 -6.953 -4.566 1.00 0.00 C ATOM 443 O THR A 53 -11.654 -5.873 -4.211 1.00 0.00 O ATOM 444 CB THR A 53 -12.844 -8.785 -4.035 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.583 -9.086 -2.851 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.688 -10.097 -4.812 1.00 0.00 C ATOM 0 H THR A 53 -12.212 -8.007 -1.819 1.00 0.00 H new ATOM 0 HA THR A 53 -10.713 -8.986 -3.985 1.00 0.00 H new ATOM 0 HB THR A 53 -13.383 -8.023 -4.598 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.023 -8.274 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 53 -13.673 -10.511 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.161 -9.906 -5.747 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.119 -10.809 -4.214 1.00 0.00 H new ATOM 454 N GLY A 54 -10.388 -7.071 -5.631 1.00 0.00 N ATOM 455 CA GLY A 54 -9.992 -5.957 -6.472 1.00 0.00 C ATOM 456 C GLY A 54 -9.321 -6.509 -7.717 1.00 0.00 C ATOM 457 O GLY A 54 -9.250 -7.728 -7.894 1.00 0.00 O ATOM 0 H GLY A 54 -10.006 -7.965 -5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.862 -5.359 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.309 -5.300 -5.934 1.00 0.00 H new ATOM 461 N ASP A 55 -8.831 -5.635 -8.590 1.00 0.00 N ATOM 462 CA ASP A 55 -8.259 -6.065 -9.858 1.00 0.00 C ATOM 463 C ASP A 55 -6.743 -5.997 -9.771 1.00 0.00 C ATOM 464 O ASP A 55 -6.168 -4.905 -9.775 1.00 0.00 O ATOM 465 CB ASP A 55 -8.783 -5.240 -11.034 1.00 0.00 C ATOM 466 CG ASP A 55 -8.751 -6.010 -12.357 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.288 -5.461 -13.350 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.226 -7.148 -12.408 1.00 0.00 O ATOM 0 H ASP A 55 -8.819 -4.626 -8.442 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.565 -7.094 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.806 -4.927 -10.825 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.186 -4.334 -11.131 1.00 0.00 H new ATOM 474 N SER A 56 -6.093 -7.146 -9.634 1.00 0.00 N ATOM 475 CA SER A 56 -4.655 -7.293 -9.781 1.00 0.00 C ATOM 476 C SER A 56 -4.362 -8.741 -10.208 1.00 0.00 C ATOM 477 O SER A 56 -5.297 -9.516 -10.436 1.00 0.00 O ATOM 478 CB SER A 56 -3.937 -6.929 -8.465 1.00 0.00 C ATOM 479 OG SER A 56 -3.621 -5.553 -8.383 1.00 0.00 O ATOM 0 H SER A 56 -6.566 -8.022 -9.412 1.00 0.00 H new ATOM 0 HA SER A 56 -4.279 -6.611 -10.544 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.570 -7.204 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.021 -7.514 -8.380 1.00 0.00 H new ATOM 0 HG SER A 56 -4.337 -5.028 -8.798 1.00 0.00 H new ATOM 485 N GLU A 57 -3.080 -9.125 -10.263 1.00 0.00 N ATOM 486 CA GLU A 57 -2.621 -10.494 -10.508 1.00 0.00 C ATOM 487 C GLU A 57 -3.340 -11.472 -9.576 1.00 0.00 C ATOM 488 O GLU A 57 -3.961 -12.426 -10.044 1.00 0.00 O ATOM 489 CB GLU A 57 -1.094 -10.623 -10.317 1.00 0.00 C ATOM 490 CG GLU A 57 -0.289 -9.604 -11.135 1.00 0.00 C ATOM 491 CD GLU A 57 0.978 -10.186 -11.770 1.00 0.00 C ATOM 492 OE1 GLU A 57 2.085 -9.642 -11.544 1.00 0.00 O ATOM 493 OE2 GLU A 57 0.855 -11.169 -12.536 1.00 0.00 O ATOM 0 H GLU A 57 -2.311 -8.468 -10.134 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.858 -10.738 -11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.856 -10.499 -9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.784 -11.630 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.926 -9.199 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.011 -8.771 -10.489 1.00 0.00 H new ATOM 501 N GLN A 58 -3.271 -11.201 -8.267 1.00 0.00 N ATOM 502 CA GLN A 58 -3.885 -12.007 -7.215 1.00 0.00 C ATOM 503 C GLN A 58 -5.420 -11.965 -7.272 1.00 0.00 C ATOM 504 O GLN A 58 -6.086 -12.926 -6.883 1.00 0.00 O ATOM 505 CB GLN A 58 -3.428 -11.427 -5.876 1.00 0.00 C ATOM 506 CG GLN A 58 -1.910 -11.501 -5.623 1.00 0.00 C ATOM 507 CD GLN A 58 -1.481 -10.465 -4.586 1.00 0.00 C ATOM 508 OE1 GLN A 58 -0.479 -9.783 -4.757 1.00 0.00 O ATOM 509 NE2 GLN A 58 -2.268 -10.225 -3.552 1.00 0.00 N ATOM 0 H GLN A 58 -2.771 -10.390 -7.904 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.582 -13.046 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.740 -10.384 -5.822 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.942 -11.955 -5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.643 -12.500 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.373 -11.332 -6.556 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.104 -10.791 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.039 -9.474 -2.901 1.00 0.00 H new ATOM 518 N GLY A 59 -5.993 -10.835 -7.694 1.00 0.00 N ATOM 519 CA GLY A 59 -7.424 -10.568 -7.607 1.00 0.00 C ATOM 520 C GLY A 59 -7.861 -9.898 -6.290 1.00 0.00 C ATOM 521 O GLY A 59 -9.044 -9.908 -5.950 1.00 0.00 O ATOM 0 H GLY A 59 -5.464 -10.070 -8.112 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.715 -9.929 -8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.965 -11.507 -7.721 1.00 0.00 H new ATOM 525 N ILE A 60 -6.924 -9.316 -5.534 1.00 0.00 N ATOM 526 CA ILE A 60 -7.153 -8.662 -4.241 1.00 0.00 C ATOM 527 C ILE A 60 -6.188 -7.488 -4.093 1.00 0.00 C ATOM 528 O ILE A 60 -5.091 -7.502 -4.668 1.00 0.00 O ATOM 529 CB ILE A 60 -6.947 -9.645 -3.058 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.731 -10.553 -3.351 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.210 -10.490 -2.816 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.141 -11.186 -2.108 1.00 0.00 C ATOM 0 H ILE A 60 -5.945 -9.287 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.186 -8.314 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.757 -9.071 -2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.032 -11.340 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.961 -9.966 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.038 -11.170 -1.982 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.048 -9.833 -2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.440 -11.066 -3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.292 -11.810 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.809 -10.405 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.897 -11.799 -1.618 1.00 0.00 H new ATOM 544 N VAL A 61 -6.555 -6.517 -3.258 1.00 0.00 N ATOM 545 CA VAL A 61 -5.781 -5.316 -2.981 1.00 0.00 C ATOM 546 C VAL A 61 -5.821 -4.990 -1.478 1.00 0.00 C ATOM 547 O VAL A 61 -6.846 -5.243 -0.844 1.00 0.00 O ATOM 548 CB VAL A 61 -6.315 -4.142 -3.833 1.00 0.00 C ATOM 549 CG1 VAL A 61 -6.080 -4.381 -5.333 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.813 -3.860 -3.595 1.00 0.00 C ATOM 0 H VAL A 61 -7.432 -6.550 -2.739 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.739 -5.485 -3.253 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.750 -3.267 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.468 -3.536 -5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.012 -4.485 -5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.594 -5.292 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.130 -3.026 -4.221 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.395 -4.746 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.974 -3.609 -2.547 1.00 0.00 H new ATOM 560 N PRO A 62 -4.741 -4.444 -0.889 1.00 0.00 N ATOM 561 CA PRO A 62 -4.669 -4.049 0.514 1.00 0.00 C ATOM 562 C PRO A 62 -5.464 -2.758 0.739 1.00 0.00 C ATOM 563 O PRO A 62 -5.440 -1.831 -0.077 1.00 0.00 O ATOM 564 CB PRO A 62 -3.182 -3.837 0.795 1.00 0.00 C ATOM 565 CG PRO A 62 -2.617 -3.405 -0.547 1.00 0.00 C ATOM 566 CD PRO A 62 -3.501 -4.126 -1.562 1.00 0.00 C ATOM 0 HA PRO A 62 -5.097 -4.799 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.024 -3.076 1.559 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.708 -4.751 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.665 -2.323 -0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.571 -3.692 -0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.685 -3.495 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.014 -5.032 -1.923 1.00 0.00 H new ATOM 574 N CYS A 63 -6.087 -2.661 1.908 1.00 0.00 N ATOM 575 CA CYS A 63 -6.757 -1.476 2.422 1.00 0.00 C ATOM 576 C CYS A 63 -5.670 -0.582 2.994 1.00 0.00 C ATOM 577 O CYS A 63 -5.384 -0.601 4.192 1.00 0.00 O ATOM 578 CB CYS A 63 -7.786 -1.852 3.493 1.00 0.00 C ATOM 579 SG CYS A 63 -8.628 -0.442 4.267 1.00 0.00 S ATOM 0 H CYS A 63 -6.140 -3.448 2.555 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.307 -0.962 1.634 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.536 -2.503 3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -7.286 -2.430 4.270 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.475 -0.875 5.153 1.00 0.00 H new ATOM 585 N LEU A 64 -5.021 0.169 2.114 1.00 0.00 N ATOM 586 CA LEU A 64 -4.085 1.197 2.521 1.00 0.00 C ATOM 587 C LEU A 64 -4.945 2.406 2.850 1.00 0.00 C ATOM 588 O LEU A 64 -5.769 2.812 2.032 1.00 0.00 O ATOM 589 CB LEU A 64 -3.065 1.507 1.419 1.00 0.00 C ATOM 590 CG LEU A 64 -2.300 0.260 0.919 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.771 0.438 -0.515 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.150 -0.098 1.865 1.00 0.00 C ATOM 0 H LEU A 64 -5.131 0.080 1.104 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.488 0.882 3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.581 1.969 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.348 2.238 1.794 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.016 -0.562 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.241 -0.464 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.607 0.616 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.090 1.288 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.630 -0.979 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.453 0.738 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.548 -0.308 2.858 1.00 0.00 H new ATOM 604 N THR A 65 -4.790 2.949 4.047 1.00 0.00 N ATOM 605 CA THR A 65 -5.565 4.078 4.533 1.00 0.00 C ATOM 606 C THR A 65 -4.698 5.322 4.481 1.00 0.00 C ATOM 607 O THR A 65 -3.476 5.221 4.322 1.00 0.00 O ATOM 608 CB THR A 65 -6.099 3.774 5.938 1.00 0.00 C ATOM 609 OG1 THR A 65 -5.049 3.761 6.883 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.785 2.393 5.951 1.00 0.00 C ATOM 0 H THR A 65 -4.106 2.609 4.723 1.00 0.00 H new ATOM 0 HA THR A 65 -6.436 4.257 3.903 1.00 0.00 H new ATOM 0 HB THR A 65 -6.813 4.554 6.202 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.314 4.277 7.673 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.162 2.183 6.952 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.614 2.392 5.243 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.064 1.626 5.667 1.00 0.00 H new ATOM 618 N ARG A 66 -5.272 6.521 4.632 1.00 0.00 N ATOM 619 CA ARG A 66 -4.428 7.698 4.584 1.00 0.00 C ATOM 620 C ARG A 66 -3.401 7.697 5.705 1.00 0.00 C ATOM 621 O ARG A 66 -2.280 8.144 5.479 1.00 0.00 O ATOM 622 CB ARG A 66 -5.276 8.958 4.610 1.00 0.00 C ATOM 623 CG ARG A 66 -4.606 9.948 3.666 1.00 0.00 C ATOM 624 CD ARG A 66 -5.390 11.239 3.579 1.00 0.00 C ATOM 625 NE ARG A 66 -5.031 12.130 4.684 1.00 0.00 N ATOM 626 CZ ARG A 66 -5.642 12.205 5.867 1.00 0.00 C ATOM 627 NH1 ARG A 66 -6.866 11.717 6.060 1.00 0.00 N ATOM 628 NH2 ARG A 66 -4.965 12.769 6.851 1.00 0.00 N ATOM 0 H ARG A 66 -6.267 6.690 4.781 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.874 7.678 3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.296 8.746 4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.337 9.364 5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.594 10.157 4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.518 9.506 2.674 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.189 11.731 2.627 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.459 11.026 3.608 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.237 12.753 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.364 11.270 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.305 11.790 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.022 13.121 6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.385 12.852 7.777 1.00 0.00 H new ATOM 642 N ALA A 67 -3.748 7.153 6.868 1.00 0.00 N ATOM 643 CA ALA A 67 -2.747 6.960 7.902 1.00 0.00 C ATOM 644 C ALA A 67 -1.652 6.026 7.403 1.00 0.00 C ATOM 645 O ALA A 67 -0.497 6.438 7.399 1.00 0.00 O ATOM 646 CB ALA A 67 -3.311 6.406 9.202 1.00 0.00 C ATOM 0 H ALA A 67 -4.690 6.846 7.111 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.347 7.950 8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.506 6.288 9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.058 7.095 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.774 5.437 9.014 1.00 0.00 H new ATOM 652 N GLN A 68 -1.995 4.802 6.982 1.00 0.00 N ATOM 653 CA GLN A 68 -1.036 3.775 6.567 1.00 0.00 C ATOM 654 C GLN A 68 -0.077 4.297 5.499 1.00 0.00 C ATOM 655 O GLN A 68 1.097 3.929 5.484 1.00 0.00 O ATOM 656 CB GLN A 68 -1.791 2.572 5.986 1.00 0.00 C ATOM 657 CG GLN A 68 -2.548 1.731 7.022 1.00 0.00 C ATOM 658 CD GLN A 68 -1.799 0.448 7.390 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.589 0.435 7.586 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.472 -0.687 7.431 1.00 0.00 N ATOM 0 H GLN A 68 -2.965 4.494 6.920 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.461 3.488 7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.501 2.931 5.240 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -1.080 1.930 5.466 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.709 2.325 7.921 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.532 1.474 6.629 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.479 -0.689 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.985 -1.562 7.624 1.00 0.00 H new ATOM 669 N LEU A 69 -0.555 5.132 4.577 1.00 0.00 N ATOM 670 CA LEU A 69 0.288 5.678 3.529 1.00 0.00 C ATOM 671 C LEU A 69 1.161 6.794 4.082 1.00 0.00 C ATOM 672 O LEU A 69 2.369 6.803 3.854 1.00 0.00 O ATOM 673 CB LEU A 69 -0.576 6.175 2.378 1.00 0.00 C ATOM 674 CG LEU A 69 -1.423 5.075 1.741 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.408 5.686 0.747 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.568 4.014 1.051 1.00 0.00 C ATOM 0 H LEU A 69 -1.526 5.442 4.540 1.00 0.00 H new ATOM 0 HA LEU A 69 0.945 4.895 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.233 6.966 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.065 6.618 1.616 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.971 4.578 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.008 4.895 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.062 6.387 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.858 6.213 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.215 3.254 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.027 4.480 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.095 3.550 1.781 1.00 0.00 H new ATOM 688 N ALA A 70 0.584 7.717 4.854 1.00 0.00 N ATOM 689 CA ALA A 70 1.345 8.794 5.470 1.00 0.00 C ATOM 690 C ALA A 70 2.414 8.203 6.391 1.00 0.00 C ATOM 691 O ALA A 70 3.435 8.851 6.605 1.00 0.00 O ATOM 692 CB ALA A 70 0.426 9.711 6.291 1.00 0.00 C ATOM 0 H ALA A 70 -0.414 7.736 5.065 1.00 0.00 H new ATOM 0 HA ALA A 70 1.813 9.381 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.017 10.508 6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.332 10.145 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.060 9.131 7.076 1.00 0.00 H new ATOM 698 N SER A 71 2.214 6.971 6.882 1.00 0.00 N ATOM 699 CA SER A 71 3.173 6.291 7.742 1.00 0.00 C ATOM 700 C SER A 71 4.481 5.979 7.002 1.00 0.00 C ATOM 701 O SER A 71 5.490 5.695 7.645 1.00 0.00 O ATOM 702 CB SER A 71 2.570 4.995 8.298 1.00 0.00 C ATOM 703 OG SER A 71 1.550 5.245 9.244 1.00 0.00 O ATOM 0 H SER A 71 1.376 6.422 6.688 1.00 0.00 H new ATOM 0 HA SER A 71 3.404 6.966 8.566 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.165 4.403 7.477 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.356 4.400 8.762 1.00 0.00 H new ATOM 0 HG SER A 71 0.779 5.651 8.795 1.00 0.00 H new ATOM 709 N MET A 72 4.477 6.015 5.668 1.00 0.00 N ATOM 710 CA MET A 72 5.628 5.733 4.817 1.00 0.00 C ATOM 711 C MET A 72 6.245 7.021 4.281 1.00 0.00 C ATOM 712 O MET A 72 7.180 6.919 3.494 1.00 0.00 O ATOM 713 CB MET A 72 5.242 4.848 3.621 1.00 0.00 C ATOM 714 CG MET A 72 4.038 3.943 3.852 1.00 0.00 C ATOM 715 SD MET A 72 4.001 2.452 2.834 1.00 0.00 S ATOM 716 CE MET A 72 2.501 2.839 1.914 1.00 0.00 C ATOM 0 H MET A 72 3.640 6.250 5.134 1.00 0.00 H new ATOM 0 HA MET A 72 6.352 5.207 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.036 5.490 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.098 4.228 3.356 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.019 3.649 4.902 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.130 4.516 3.665 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.438 2.199 1.034 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.631 2.670 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.525 3.883 1.602 1.00 0.00 H new ATOM 726 N GLY A 73 5.700 8.201 4.606 1.00 0.00 N ATOM 727 CA GLY A 73 6.122 9.446 3.980 1.00 0.00 C ATOM 728 C GLY A 73 5.424 9.623 2.633 1.00 0.00 C ATOM 729 O GLY A 73 5.934 10.347 1.775 1.00 0.00 O ATOM 0 H GLY A 73 4.963 8.312 5.303 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.888 10.287 4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.203 9.443 3.840 1.00 0.00 H new ATOM 733 N LEU A 74 4.259 8.984 2.429 1.00 0.00 N ATOM 734 CA LEU A 74 3.384 9.330 1.315 1.00 0.00 C ATOM 735 C LEU A 74 3.054 10.824 1.433 1.00 0.00 C ATOM 736 O LEU A 74 2.856 11.347 2.535 1.00 0.00 O ATOM 737 CB LEU A 74 2.097 8.486 1.322 1.00 0.00 C ATOM 738 CG LEU A 74 1.058 8.741 0.207 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.108 9.846 0.639 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.560 8.927 -1.220 1.00 0.00 C ATOM 0 H LEU A 74 3.910 8.231 3.022 1.00 0.00 H new ATOM 0 HA LEU A 74 3.888 9.120 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.386 7.436 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.602 8.639 2.281 1.00 0.00 H new ATOM 0 HG LEU A 74 0.534 7.790 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.624 10.025 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.407 9.547 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.673 10.760 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.713 9.096 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.231 9.785 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.096 8.032 -1.537 1.00 0.00 H new ATOM 752 N ASN A 75 2.926 11.494 0.298 1.00 0.00 N ATOM 753 CA ASN A 75 2.439 12.863 0.176 1.00 0.00 C ATOM 754 C ASN A 75 0.953 12.890 -0.212 1.00 0.00 C ATOM 755 O ASN A 75 0.635 12.675 -1.376 1.00 0.00 O ATOM 756 CB ASN A 75 3.260 13.594 -0.898 1.00 0.00 C ATOM 757 CG ASN A 75 2.971 15.087 -0.874 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.024 15.543 -0.245 1.00 0.00 O ATOM 759 ND2 ASN A 75 3.789 15.889 -1.524 1.00 0.00 N ATOM 0 H ASN A 75 3.169 11.082 -0.603 1.00 0.00 H new ATOM 0 HA ASN A 75 2.549 13.358 1.141 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.323 13.422 -0.730 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.023 13.189 -1.882 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.636 16.897 -1.506 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.575 15.502 -2.046 1.00 0.00 H new ATOM 766 N THR A 76 0.010 13.146 0.701 1.00 0.00 N ATOM 767 CA THR A 76 -1.398 13.248 0.310 1.00 0.00 C ATOM 768 C THR A 76 -1.666 14.426 -0.641 1.00 0.00 C ATOM 769 O THR A 76 -2.591 14.366 -1.457 1.00 0.00 O ATOM 770 CB THR A 76 -2.290 13.298 1.558 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.009 14.349 2.460 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.134 12.021 2.376 1.00 0.00 C ATOM 0 H THR A 76 0.191 13.284 1.695 1.00 0.00 H new ATOM 0 HA THR A 76 -1.651 12.352 -0.257 1.00 0.00 H new ATOM 0 HB THR A 76 -3.290 13.441 1.148 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.563 15.127 2.239 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.773 12.073 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.422 11.163 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.095 11.913 2.687 1.00 0.00 H new ATOM 780 N ALA A 77 -0.856 15.486 -0.556 1.00 0.00 N ATOM 781 CA ALA A 77 -1.025 16.691 -1.345 1.00 0.00 C ATOM 782 C ALA A 77 -0.596 16.502 -2.800 1.00 0.00 C ATOM 783 O ALA A 77 -1.054 17.277 -3.639 1.00 0.00 O ATOM 784 CB ALA A 77 -0.237 17.843 -0.718 1.00 0.00 C ATOM 0 H ALA A 77 -0.055 15.523 0.075 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.089 16.926 -1.347 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.370 18.744 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.600 18.024 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.821 17.583 -0.683 1.00 0.00 H new ATOM 790 N SER A 78 0.237 15.508 -3.135 1.00 0.00 N ATOM 791 CA SER A 78 0.591 15.262 -4.533 1.00 0.00 C ATOM 792 C SER A 78 -0.603 14.717 -5.324 1.00 0.00 C ATOM 793 O SER A 78 -0.537 14.646 -6.556 1.00 0.00 O ATOM 794 CB SER A 78 1.777 14.294 -4.638 1.00 0.00 C ATOM 795 OG SER A 78 1.450 13.035 -4.104 1.00 0.00 O ATOM 0 H SER A 78 0.671 14.872 -2.466 1.00 0.00 H new ATOM 0 HA SER A 78 0.881 16.219 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.070 14.185 -5.682 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.635 14.706 -4.107 1.00 0.00 H new ATOM 0 HG SER A 78 1.232 13.129 -3.153 1.00 0.00 H new ATOM 801 N VAL A 79 -1.675 14.293 -4.639 1.00 0.00 N ATOM 802 CA VAL A 79 -2.778 13.577 -5.228 1.00 0.00 C ATOM 803 C VAL A 79 -4.004 14.472 -5.173 1.00 0.00 C ATOM 804 O VAL A 79 -4.436 14.913 -4.096 1.00 0.00 O ATOM 805 CB VAL A 79 -2.997 12.248 -4.490 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.741 11.279 -5.412 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.690 11.602 -4.008 1.00 0.00 C ATOM 0 H VAL A 79 -1.786 14.450 -3.637 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.571 13.329 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.585 12.466 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.900 10.333 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.704 11.707 -5.689 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.149 11.105 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.914 10.667 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.046 11.401 -4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.181 12.279 -3.322 1.00 0.00 H new ATOM 817 N ALA A 80 -4.594 14.706 -6.338 1.00 0.00 N ATOM 818 CA ALA A 80 -5.796 15.489 -6.549 1.00 0.00 C ATOM 819 C ALA A 80 -7.043 14.725 -6.066 1.00 0.00 C ATOM 820 O ALA A 80 -8.008 14.580 -6.813 1.00 0.00 O ATOM 821 CB ALA A 80 -5.846 15.825 -8.043 1.00 0.00 C ATOM 0 H ALA A 80 -4.221 14.330 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.781 16.410 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.737 16.416 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.959 16.395 -8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.878 14.902 -8.623 1.00 0.00 H new ATOM 827 N GLY A 81 -7.021 14.157 -4.855 1.00 0.00 N ATOM 828 CA GLY A 81 -8.089 13.296 -4.362 1.00 0.00 C ATOM 829 C GLY A 81 -7.661 12.279 -3.308 1.00 0.00 C ATOM 830 O GLY A 81 -8.323 11.250 -3.205 1.00 0.00 O ATOM 0 H GLY A 81 -6.257 14.285 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.876 13.922 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.523 12.761 -5.207 1.00 0.00 H new ATOM 834 N MET A 82 -6.586 12.506 -2.533 1.00 0.00 N ATOM 835 CA MET A 82 -6.233 11.607 -1.420 1.00 0.00 C ATOM 836 C MET A 82 -6.610 12.172 -0.053 1.00 0.00 C ATOM 837 O MET A 82 -7.020 11.433 0.835 1.00 0.00 O ATOM 838 CB MET A 82 -4.746 11.262 -1.442 1.00 0.00 C ATOM 839 CG MET A 82 -4.443 10.211 -0.373 1.00 0.00 C ATOM 840 SD MET A 82 -2.871 9.363 -0.581 1.00 0.00 S ATOM 841 CE MET A 82 -3.231 8.458 -2.091 1.00 0.00 C ATOM 0 H MET A 82 -5.952 13.296 -2.655 1.00 0.00 H new ATOM 0 HA MET A 82 -6.819 10.700 -1.571 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.465 10.885 -2.426 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.152 12.158 -1.262 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.454 10.693 0.605 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.243 9.471 -0.373 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.189 7.387 -1.892 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.227 8.723 -2.445 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.495 8.714 -2.853 1.00 0.00 H new ATOM 851 N ASN A 83 -6.491 13.484 0.126 1.00 0.00 N ATOM 852 CA ASN A 83 -6.668 14.233 1.377 1.00 0.00 C ATOM 853 C ASN A 83 -8.072 14.121 1.975 1.00 0.00 C ATOM 854 O ASN A 83 -8.337 14.704 3.024 1.00 0.00 O ATOM 855 CB ASN A 83 -6.377 15.722 1.128 1.00 0.00 C ATOM 856 CG ASN A 83 -5.125 15.909 0.304 1.00 0.00 C ATOM 857 OD1 ASN A 83 -4.028 15.983 0.833 1.00 0.00 O ATOM 858 ND2 ASN A 83 -5.260 15.877 -1.012 1.00 0.00 N ATOM 0 H ASN A 83 -6.252 14.100 -0.651 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.972 13.792 2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.223 16.179 0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.267 16.237 2.082 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.435 15.914 -1.610 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.189 15.815 -1.428 1.00 0.00 H new ATOM 865 N LEU A 84 -8.976 13.424 1.293 1.00 0.00 N ATOM 866 CA LEU A 84 -10.403 13.372 1.559 1.00 0.00 C ATOM 867 C LEU A 84 -10.825 11.927 1.849 1.00 0.00 C ATOM 868 O LEU A 84 -12.003 11.658 2.086 1.00 0.00 O ATOM 869 CB LEU A 84 -11.243 14.043 0.452 1.00 0.00 C ATOM 870 CG LEU A 84 -10.766 13.935 -1.003 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.494 14.748 -1.243 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.641 12.487 -1.472 1.00 0.00 C ATOM 0 H LEU A 84 -8.713 12.848 0.494 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.607 13.964 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.249 13.626 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.325 15.102 0.695 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.542 14.380 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.188 14.646 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.686 15.798 -1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.699 14.380 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.300 12.468 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.922 11.962 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.612 11.996 -1.400 1.00 0.00 H new ATOM 884 N LEU A 85 -9.868 10.996 1.830 1.00 0.00 N ATOM 885 CA LEU A 85 -9.970 9.671 2.413 1.00 0.00 C ATOM 886 C LEU A 85 -9.705 9.816 3.908 1.00 0.00 C ATOM 887 O LEU A 85 -8.931 10.691 4.324 1.00 0.00 O ATOM 888 CB LEU A 85 -8.884 8.760 1.820 1.00 0.00 C ATOM 889 CG LEU A 85 -9.121 8.222 0.398 1.00 0.00 C ATOM 890 CD1 LEU A 85 -10.190 7.124 0.408 1.00 0.00 C ATOM 891 CD2 LEU A 85 -9.409 9.241 -0.698 1.00 0.00 C ATOM 0 H LEU A 85 -8.964 11.160 1.387 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.952 9.242 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.943 9.310 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.756 7.908 2.487 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.147 7.821 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.343 6.756 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.862 6.303 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.126 7.531 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.555 8.724 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.310 9.801 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.568 9.929 -0.786 1.00 0.00 H new ATOM 903 N ALA A 86 -10.307 8.942 4.711 1.00 0.00 N ATOM 904 CA ALA A 86 -10.047 8.888 6.136 1.00 0.00 C ATOM 905 C ALA A 86 -8.720 8.190 6.423 1.00 0.00 C ATOM 906 O ALA A 86 -8.134 7.509 5.574 1.00 0.00 O ATOM 907 CB ALA A 86 -11.196 8.178 6.852 1.00 0.00 C ATOM 0 H ALA A 86 -10.987 8.255 4.387 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.976 9.908 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.991 8.142 7.922 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.125 8.722 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.293 7.163 6.467 1.00 0.00 H new ATOM 913 N ASP A 87 -8.291 8.322 7.673 1.00 0.00 N ATOM 914 CA ASP A 87 -7.154 7.609 8.239 1.00 0.00 C ATOM 915 C ASP A 87 -7.441 6.111 8.385 1.00 0.00 C ATOM 916 O ASP A 87 -6.509 5.332 8.583 1.00 0.00 O ATOM 917 CB ASP A 87 -6.772 8.237 9.588 1.00 0.00 C ATOM 918 CG ASP A 87 -6.109 9.612 9.456 1.00 0.00 C ATOM 919 OD1 ASP A 87 -4.996 9.684 8.892 1.00 0.00 O ATOM 920 OD2 ASP A 87 -6.699 10.628 9.905 1.00 0.00 O ATOM 0 H ASP A 87 -8.740 8.949 8.341 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.311 7.702 7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.667 8.332 10.202 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.094 7.565 10.114 1.00 0.00 H new ATOM 926 N ASP A 88 -8.691 5.684 8.189 1.00 0.00 N ATOM 927 CA ASP A 88 -9.126 4.355 7.885 1.00 0.00 C ATOM 928 C ASP A 88 -10.242 4.419 6.863 1.00 0.00 C ATOM 929 O ASP A 88 -11.427 4.399 7.187 1.00 0.00 O ATOM 930 CB ASP A 88 -9.518 3.549 9.099 1.00 0.00 C ATOM 931 CG ASP A 88 -10.355 4.239 10.165 1.00 0.00 C ATOM 932 OD1 ASP A 88 -11.597 4.074 10.187 1.00 0.00 O ATOM 933 OD2 ASP A 88 -9.779 4.928 11.038 1.00 0.00 O ATOM 0 H ASP A 88 -9.478 6.330 8.248 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.275 3.818 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.068 2.672 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.604 3.188 9.571 1.00 0.00 H new ATOM 939 N ALA A 89 -9.848 4.483 5.601 1.00 0.00 N ATOM 940 CA ALA A 89 -10.698 4.202 4.465 1.00 0.00 C ATOM 941 C ALA A 89 -9.836 3.588 3.373 1.00 0.00 C ATOM 942 O ALA A 89 -8.635 3.856 3.345 1.00 0.00 O ATOM 943 CB ALA A 89 -11.316 5.518 4.023 1.00 0.00 C ATOM 0 H ALA A 89 -8.897 4.740 5.336 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.497 3.500 4.704 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.966 5.345 3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.900 5.939 4.842 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.526 6.216 3.745 1.00 0.00 H new ATOM 949 N CYS A 90 -10.426 2.791 2.485 1.00 0.00 N ATOM 950 CA CYS A 90 -9.710 2.147 1.386 1.00 0.00 C ATOM 951 C CYS A 90 -9.316 3.206 0.351 1.00 0.00 C ATOM 952 O CYS A 90 -10.083 3.508 -0.569 1.00 0.00 O ATOM 953 CB CYS A 90 -10.572 1.052 0.740 1.00 0.00 C ATOM 954 SG CYS A 90 -11.143 -0.261 1.851 1.00 0.00 S ATOM 0 H CYS A 90 -11.422 2.572 2.508 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.810 1.672 1.776 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.444 1.523 0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.000 0.595 -0.068 1.00 0.00 H new ATOM 0 HG CYS A 90 -10.278 -0.428 2.807 1.00 0.00 H new ATOM 960 N VAL A 91 -8.132 3.794 0.499 1.00 0.00 N ATOM 961 CA VAL A 91 -7.568 4.715 -0.477 1.00 0.00 C ATOM 962 C VAL A 91 -7.413 3.928 -1.787 1.00 0.00 C ATOM 963 O VAL A 91 -6.844 2.834 -1.744 1.00 0.00 O ATOM 964 CB VAL A 91 -6.214 5.238 0.047 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.595 6.245 -0.915 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.278 5.925 1.424 1.00 0.00 C ATOM 0 H VAL A 91 -7.532 3.641 1.310 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.205 5.583 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.611 4.335 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.643 6.593 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.430 5.770 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.269 7.093 -1.037 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.281 6.260 1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.948 6.783 1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.651 5.219 2.166 1.00 0.00 H new ATOM 976 N PRO A 92 -7.866 4.429 -2.955 1.00 0.00 N ATOM 977 CA PRO A 92 -7.617 3.789 -4.246 1.00 0.00 C ATOM 978 C PRO A 92 -6.188 4.079 -4.706 1.00 0.00 C ATOM 979 O PRO A 92 -5.958 4.627 -5.784 1.00 0.00 O ATOM 980 CB PRO A 92 -8.659 4.371 -5.196 1.00 0.00 C ATOM 981 CG PRO A 92 -8.806 5.790 -4.671 1.00 0.00 C ATOM 982 CD PRO A 92 -8.635 5.650 -3.156 1.00 0.00 C ATOM 0 HA PRO A 92 -7.704 2.703 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.322 4.352 -6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.600 3.822 -5.156 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.052 6.452 -5.097 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.779 6.210 -4.925 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.115 6.513 -2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.602 5.590 -2.657 1.00 0.00 H new ATOM 990 N LEU A 93 -5.220 3.764 -3.849 1.00 0.00 N ATOM 991 CA LEU A 93 -3.832 4.146 -3.989 1.00 0.00 C ATOM 992 C LEU A 93 -3.316 3.705 -5.353 1.00 0.00 C ATOM 993 O LEU A 93 -2.678 4.480 -6.054 1.00 0.00 O ATOM 994 CB LEU A 93 -3.047 3.571 -2.792 1.00 0.00 C ATOM 995 CG LEU A 93 -1.520 3.794 -2.754 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.737 2.714 -3.504 1.00 0.00 C ATOM 997 CD2 LEU A 93 -1.074 5.217 -3.126 1.00 0.00 C ATOM 0 H LEU A 93 -5.396 3.214 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.701 5.228 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.469 3.995 -1.881 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.229 2.497 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.259 3.689 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.330 2.928 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.940 1.741 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.043 2.703 -4.550 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.013 5.283 -3.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.403 5.448 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.515 5.930 -2.430 1.00 0.00 H new ATOM 1009 N THR A 94 -3.678 2.500 -5.769 1.00 0.00 N ATOM 1010 CA THR A 94 -3.221 1.907 -7.013 1.00 0.00 C ATOM 1011 C THR A 94 -4.016 2.396 -8.236 1.00 0.00 C ATOM 1012 O THR A 94 -3.610 2.092 -9.353 1.00 0.00 O ATOM 1013 CB THR A 94 -3.210 0.377 -6.823 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.339 -0.063 -6.080 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.985 -0.045 -6.009 1.00 0.00 C ATOM 0 H THR A 94 -4.309 1.898 -5.240 1.00 0.00 H new ATOM 0 HA THR A 94 -2.207 2.234 -7.241 1.00 0.00 H new ATOM 0 HB THR A 94 -3.209 -0.059 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.304 -1.037 -5.978 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.988 -1.128 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.078 0.256 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.015 0.436 -5.031 1.00 0.00 H new ATOM 1023 N THR A 95 -5.068 3.216 -8.087 1.00 0.00 N ATOM 1024 CA THR A 95 -5.786 3.818 -9.215 1.00 0.00 C ATOM 1025 C THR A 95 -5.605 5.348 -9.245 1.00 0.00 C ATOM 1026 O THR A 95 -5.996 5.991 -10.219 1.00 0.00 O ATOM 1027 CB THR A 95 -7.256 3.371 -9.142 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.336 1.956 -9.072 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.128 3.810 -10.319 1.00 0.00 C ATOM 0 H THR A 95 -5.444 3.479 -7.176 1.00 0.00 H new ATOM 0 HA THR A 95 -5.372 3.471 -10.162 1.00 0.00 H new ATOM 0 HB THR A 95 -7.640 3.860 -8.247 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.276 1.683 -9.024 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.145 3.446 -10.174 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.137 4.898 -10.379 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.724 3.399 -11.244 1.00 0.00 H new ATOM 1037 N MET A 96 -5.025 5.960 -8.207 1.00 0.00 N ATOM 1038 CA MET A 96 -4.792 7.410 -8.133 1.00 0.00 C ATOM 1039 C MET A 96 -3.336 7.783 -8.243 1.00 0.00 C ATOM 1040 O MET A 96 -3.022 8.968 -8.371 1.00 0.00 O ATOM 1041 CB MET A 96 -5.319 7.946 -6.811 1.00 0.00 C ATOM 1042 CG MET A 96 -4.564 7.578 -5.547 1.00 0.00 C ATOM 1043 SD MET A 96 -5.616 7.424 -4.086 1.00 0.00 S ATOM 1044 CE MET A 96 -6.430 9.030 -4.018 1.00 0.00 C ATOM 0 H MET A 96 -4.699 5.457 -7.382 1.00 0.00 H new ATOM 0 HA MET A 96 -5.317 7.849 -8.982 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.349 9.033 -6.879 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.348 7.605 -6.698 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.042 6.635 -5.708 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.803 8.335 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.090 9.067 -3.152 1.00 0.00 H new ATOM 0 HE2 MET A 96 -5.679 9.815 -3.935 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.014 9.181 -4.926 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.469 6.784 -8.117 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.046 6.979 -8.112 1.00 0.00 C ATOM 1056 C VAL A 97 -0.468 6.100 -9.212 1.00 0.00 C ATOM 1057 O VAL A 97 -0.237 4.906 -9.011 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.441 6.728 -6.719 1.00 0.00 C ATOM 1059 CG1 VAL A 97 1.055 7.029 -6.734 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.171 7.560 -5.651 1.00 0.00 C ATOM 0 H VAL A 97 -2.750 5.809 -8.015 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.788 8.017 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.572 5.677 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.472 6.848 -5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.549 6.383 -7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.214 8.072 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.728 7.368 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.078 8.620 -5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.225 7.283 -5.632 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.290 6.674 -10.399 1.00 0.00 N ATOM 1071 CA GLN A 98 0.277 5.940 -11.514 1.00 0.00 C ATOM 1072 C GLN A 98 1.709 5.544 -11.156 1.00 0.00 C ATOM 1073 O GLN A 98 2.455 6.420 -10.733 1.00 0.00 O ATOM 1074 CB GLN A 98 0.247 6.821 -12.774 1.00 0.00 C ATOM 1075 CG GLN A 98 0.286 5.987 -14.059 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.078 5.370 -14.337 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -1.887 5.939 -15.066 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -1.383 4.205 -13.796 1.00 0.00 N ATOM 0 H GLN A 98 -0.531 7.643 -10.608 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.302 5.039 -11.716 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.655 7.434 -12.767 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.096 7.504 -12.759 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.585 6.615 -14.898 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.035 5.201 -13.966 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.712 3.732 -13.191 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.290 3.778 -13.983 1.00 0.00 H new ATOM 1087 N ASP A 99 2.081 4.271 -11.340 1.00 0.00 N ATOM 1088 CA ASP A 99 3.366 3.612 -11.023 1.00 0.00 C ATOM 1089 C ASP A 99 3.322 2.918 -9.664 1.00 0.00 C ATOM 1090 O ASP A 99 4.147 2.043 -9.412 1.00 0.00 O ATOM 1091 CB ASP A 99 4.590 4.545 -11.079 1.00 0.00 C ATOM 1092 CG ASP A 99 5.934 3.797 -11.037 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.858 4.209 -10.294 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.134 2.852 -11.829 1.00 0.00 O ATOM 0 H ASP A 99 1.429 3.606 -11.756 1.00 0.00 H new ATOM 0 HA ASP A 99 3.494 2.873 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.542 5.139 -11.991 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.545 5.242 -10.242 1.00 0.00 H new ATOM 1100 N ALA A 100 2.339 3.219 -8.805 1.00 0.00 N ATOM 1101 CA ALA A 100 2.092 2.391 -7.632 1.00 0.00 C ATOM 1102 C ALA A 100 1.584 1.014 -8.062 1.00 0.00 C ATOM 1103 O ALA A 100 0.991 0.870 -9.139 1.00 0.00 O ATOM 1104 CB ALA A 100 1.081 3.067 -6.704 1.00 0.00 C ATOM 0 H ALA A 100 1.714 4.019 -8.903 1.00 0.00 H new ATOM 0 HA ALA A 100 3.028 2.266 -7.087 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.908 2.435 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.472 4.032 -6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.142 3.216 -7.236 1.00 0.00 H new ATOM 1110 N THR A 101 1.776 0.041 -7.172 1.00 0.00 N ATOM 1111 CA THR A 101 1.221 -1.315 -7.264 1.00 0.00 C ATOM 1112 C THR A 101 1.025 -1.871 -5.856 1.00 0.00 C ATOM 1113 O THR A 101 1.675 -1.404 -4.913 1.00 0.00 O ATOM 1114 CB THR A 101 2.127 -2.290 -8.052 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.458 -2.299 -7.569 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.166 -1.990 -9.543 1.00 0.00 C ATOM 0 H THR A 101 2.343 0.177 -6.335 1.00 0.00 H new ATOM 0 HA THR A 101 0.276 -1.235 -7.802 1.00 0.00 H new ATOM 0 HB THR A 101 1.674 -3.269 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.993 -2.930 -8.095 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.818 -2.707 -10.042 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.160 -2.066 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.548 -0.982 -9.701 1.00 0.00 H new ATOM 1124 N ALA A 102 0.188 -2.907 -5.723 1.00 0.00 N ATOM 1125 CA ALA A 102 0.090 -3.725 -4.534 1.00 0.00 C ATOM 1126 C ALA A 102 0.172 -5.222 -4.842 1.00 0.00 C ATOM 1127 O ALA A 102 -0.833 -5.869 -5.164 1.00 0.00 O ATOM 1128 CB ALA A 102 -1.168 -3.362 -3.755 1.00 0.00 C ATOM 0 H ALA A 102 -0.450 -3.197 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 102 0.955 -3.511 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.234 -3.982 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.126 -2.312 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.045 -3.532 -4.380 1.00 0.00 H new ATOM 1134 N HIS A 103 1.362 -5.790 -4.649 1.00 0.00 N ATOM 1135 CA HIS A 103 1.620 -7.235 -4.734 1.00 0.00 C ATOM 1136 C HIS A 103 1.929 -7.692 -3.310 1.00 0.00 C ATOM 1137 O HIS A 103 2.807 -7.138 -2.659 1.00 0.00 O ATOM 1138 CB HIS A 103 2.750 -7.522 -5.745 1.00 0.00 C ATOM 1139 CG HIS A 103 3.591 -8.778 -5.552 1.00 0.00 C ATOM 1140 ND1 HIS A 103 4.906 -8.883 -5.938 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.264 -9.968 -4.946 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.381 -10.061 -5.515 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.414 -10.769 -4.914 1.00 0.00 N ATOM 0 H HIS A 103 2.196 -5.249 -4.423 1.00 0.00 H new ATOM 0 HA HIS A 103 0.765 -7.796 -5.112 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.303 -7.571 -6.738 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.425 -6.666 -5.741 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.291 -10.238 -4.562 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.401 -10.394 -5.640 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.498 -11.703 -4.514 1.00 0.00 H new ATOM 1152 N LEU A 104 1.172 -8.643 -2.777 1.00 0.00 N ATOM 1153 CA LEU A 104 1.428 -9.305 -1.504 1.00 0.00 C ATOM 1154 C LEU A 104 2.270 -10.544 -1.787 1.00 0.00 C ATOM 1155 O LEU A 104 1.780 -11.526 -2.333 1.00 0.00 O ATOM 1156 CB LEU A 104 0.090 -9.588 -0.820 1.00 0.00 C ATOM 1157 CG LEU A 104 0.004 -10.716 0.220 1.00 0.00 C ATOM 1158 CD1 LEU A 104 -0.638 -11.997 -0.326 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.210 -10.871 1.131 1.00 0.00 C ATOM 0 H LEU A 104 0.330 -8.988 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 104 1.995 -8.687 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.231 -8.667 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.638 -9.806 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.725 -10.372 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.668 -12.752 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.653 -11.781 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.051 -12.369 -1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.039 -11.695 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.095 -11.079 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.361 -9.950 1.694 1.00 0.00 H new ATOM 1171 N ASP A 105 3.544 -10.483 -1.423 1.00 0.00 N ATOM 1172 CA ASP A 105 4.474 -11.596 -1.486 1.00 0.00 C ATOM 1173 C ASP A 105 4.277 -12.483 -0.249 1.00 0.00 C ATOM 1174 O ASP A 105 5.002 -12.348 0.737 1.00 0.00 O ATOM 1175 CB ASP A 105 5.924 -11.077 -1.542 1.00 0.00 C ATOM 1176 CG ASP A 105 6.928 -12.144 -1.961 1.00 0.00 C ATOM 1177 OD1 ASP A 105 8.072 -11.763 -2.294 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.596 -13.347 -1.890 1.00 0.00 O ATOM 0 H ASP A 105 3.970 -9.628 -1.064 1.00 0.00 H new ATOM 0 HA ASP A 105 4.283 -12.179 -2.387 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.978 -10.242 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.203 -10.690 -0.562 1.00 0.00 H new ATOM 1184 N VAL A 106 3.268 -13.354 -0.225 1.00 0.00 N ATOM 1185 CA VAL A 106 3.059 -14.304 0.863 1.00 0.00 C ATOM 1186 C VAL A 106 4.260 -15.224 1.025 1.00 0.00 C ATOM 1187 O VAL A 106 4.537 -15.661 2.143 1.00 0.00 O ATOM 1188 CB VAL A 106 1.781 -15.088 0.546 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.853 -16.073 -0.631 1.00 0.00 C ATOM 1190 CG2 VAL A 106 1.307 -15.788 1.807 1.00 0.00 C ATOM 0 H VAL A 106 2.569 -13.419 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 106 2.948 -13.781 1.813 1.00 0.00 H new ATOM 0 HB VAL A 106 1.063 -14.343 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.888 -16.565 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.103 -15.532 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.619 -16.822 -0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.398 -16.349 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.081 -16.472 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.102 -15.047 2.579 1.00 0.00 H new ATOM 1200 N GLY A 107 4.991 -15.494 -0.058 1.00 0.00 N ATOM 1201 CA GLY A 107 6.137 -16.370 -0.005 1.00 0.00 C ATOM 1202 C GLY A 107 7.209 -15.783 0.913 1.00 0.00 C ATOM 1203 O GLY A 107 7.818 -16.518 1.693 1.00 0.00 O ATOM 0 H GLY A 107 4.799 -15.110 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.836 -17.353 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.543 -16.510 -1.007 1.00 0.00 H new ATOM 1207 N GLN A 108 7.395 -14.459 0.872 1.00 0.00 N ATOM 1208 CA GLN A 108 8.331 -13.754 1.747 1.00 0.00 C ATOM 1209 C GLN A 108 7.666 -13.191 3.000 1.00 0.00 C ATOM 1210 O GLN A 108 8.357 -12.801 3.936 1.00 0.00 O ATOM 1211 CB GLN A 108 8.962 -12.609 0.952 1.00 0.00 C ATOM 1212 CG GLN A 108 10.135 -13.050 0.074 1.00 0.00 C ATOM 1213 CD GLN A 108 9.962 -14.380 -0.669 1.00 0.00 C ATOM 1214 OE1 GLN A 108 10.415 -15.422 -0.202 1.00 0.00 O ATOM 1215 NE2 GLN A 108 9.325 -14.381 -1.825 1.00 0.00 N ATOM 0 H GLN A 108 6.897 -13.846 0.227 1.00 0.00 H new ATOM 0 HA GLN A 108 9.080 -14.471 2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.199 -12.151 0.322 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.306 -11.842 1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.325 -12.269 -0.662 1.00 0.00 H new ATOM 0 HG3 GLN A 108 11.024 -13.121 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 108 8.953 -13.510 -2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.205 -15.253 -2.340 1.00 0.00 H new ATOM 1224 N GLN A 109 6.339 -13.112 3.025 1.00 0.00 N ATOM 1225 CA GLN A 109 5.565 -12.215 3.877 1.00 0.00 C ATOM 1226 C GLN A 109 6.049 -10.779 3.766 1.00 0.00 C ATOM 1227 O GLN A 109 6.255 -10.064 4.751 1.00 0.00 O ATOM 1228 CB GLN A 109 5.415 -12.748 5.303 1.00 0.00 C ATOM 1229 CG GLN A 109 4.765 -14.117 5.179 1.00 0.00 C ATOM 1230 CD GLN A 109 4.056 -14.532 6.446 1.00 0.00 C ATOM 1231 OE1 GLN A 109 4.675 -14.988 7.406 1.00 0.00 O ATOM 1232 NE2 GLN A 109 2.742 -14.408 6.456 1.00 0.00 N ATOM 0 H GLN A 109 5.750 -13.694 2.429 1.00 0.00 H new ATOM 0 HA GLN A 109 4.542 -12.190 3.502 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.385 -12.821 5.795 1.00 0.00 H new ATOM 0 HB3 GLN A 109 4.801 -12.079 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.053 -14.105 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.526 -14.857 4.932 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.260 -14.026 5.643 1.00 0.00 H new ATOM 0 HE22 GLN A 109 2.209 -14.694 7.277 1.00 0.00 H new ATOM 1241 N ARG A 110 6.154 -10.338 2.516 1.00 0.00 N ATOM 1242 CA ARG A 110 6.535 -8.984 2.163 1.00 0.00 C ATOM 1243 C ARG A 110 5.408 -8.357 1.357 1.00 0.00 C ATOM 1244 O ARG A 110 4.918 -8.948 0.405 1.00 0.00 O ATOM 1245 CB ARG A 110 7.910 -9.059 1.485 1.00 0.00 C ATOM 1246 CG ARG A 110 8.399 -7.719 0.927 1.00 0.00 C ATOM 1247 CD ARG A 110 8.434 -7.714 -0.602 1.00 0.00 C ATOM 1248 NE ARG A 110 9.767 -7.433 -1.153 1.00 0.00 N ATOM 1249 CZ ARG A 110 10.118 -6.341 -1.842 1.00 0.00 C ATOM 1250 NH1 ARG A 110 9.354 -5.247 -1.829 1.00 0.00 N ATOM 1251 NH2 ARG A 110 11.226 -6.357 -2.568 1.00 0.00 N ATOM 0 H ARG A 110 5.971 -10.930 1.705 1.00 0.00 H new ATOM 0 HA ARG A 110 6.661 -8.317 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.640 -9.430 2.205 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.865 -9.785 0.673 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.745 -6.920 1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.396 -7.508 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.094 -8.682 -0.969 1.00 0.00 H new ATOM 0 HD3 ARG A 110 7.731 -6.968 -0.972 1.00 0.00 H new ATOM 0 HE ARG A 110 10.491 -8.134 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.489 -5.235 -1.289 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.635 -4.422 -2.359 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.804 -7.197 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.501 -5.529 -3.097 1.00 0.00 H new ATOM 1265 N LEU A 111 4.972 -7.144 1.692 1.00 0.00 N ATOM 1266 CA LEU A 111 4.106 -6.392 0.801 1.00 0.00 C ATOM 1267 C LEU A 111 5.088 -5.838 -0.229 1.00 0.00 C ATOM 1268 O LEU A 111 5.901 -4.981 0.113 1.00 0.00 O ATOM 1269 CB LEU A 111 3.328 -5.270 1.528 1.00 0.00 C ATOM 1270 CG LEU A 111 1.890 -5.023 1.023 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.115 -3.996 1.867 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.698 -4.949 -0.480 1.00 0.00 C ATOM 0 H LEU A 111 5.204 -6.670 2.565 1.00 0.00 H new ATOM 0 HA LEU A 111 3.317 -7.003 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.285 -5.511 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.892 -4.342 1.435 1.00 0.00 H new ATOM 0 HG LEU A 111 1.379 -5.966 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.113 -3.870 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.045 -4.349 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 111 1.638 -3.040 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.646 -4.772 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.297 -4.133 -0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.013 -5.889 -0.934 1.00 0.00 H new ATOM 1284 N ASN A 112 5.106 -6.385 -1.442 1.00 0.00 N ATOM 1285 CA ASN A 112 5.860 -5.887 -2.596 1.00 0.00 C ATOM 1286 C ASN A 112 5.145 -4.639 -3.114 1.00 0.00 C ATOM 1287 O ASN A 112 4.532 -4.618 -4.183 1.00 0.00 O ATOM 1288 CB ASN A 112 6.004 -7.003 -3.658 1.00 0.00 C ATOM 1289 CG ASN A 112 7.451 -7.371 -3.932 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.241 -6.527 -4.347 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.832 -8.612 -3.688 1.00 0.00 N ATOM 0 H ASN A 112 4.572 -7.226 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 112 6.878 -5.607 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.466 -7.889 -3.322 1.00 0.00 H new ATOM 0 HB3 ASN A 112 5.535 -6.678 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.802 -8.888 -3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.157 -9.294 -3.344 1.00 0.00 H new ATOM 1298 N LEU A 113 5.134 -3.610 -2.274 1.00 0.00 N ATOM 1299 CA LEU A 113 4.366 -2.399 -2.473 1.00 0.00 C ATOM 1300 C LEU A 113 5.197 -1.435 -3.354 1.00 0.00 C ATOM 1301 O LEU A 113 6.424 -1.580 -3.428 1.00 0.00 O ATOM 1302 CB LEU A 113 4.075 -1.784 -1.091 1.00 0.00 C ATOM 1303 CG LEU A 113 2.595 -1.678 -0.683 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.300 -0.307 -0.139 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.480 -1.920 -1.696 1.00 0.00 C ATOM 0 H LEU A 113 5.678 -3.601 -1.411 1.00 0.00 H new ATOM 0 HA LEU A 113 3.419 -2.599 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.595 -2.377 -0.338 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.508 -0.784 -1.065 1.00 0.00 H new ATOM 0 HG LEU A 113 2.552 -2.516 0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.249 -0.247 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.924 -0.120 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.513 0.441 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.513 -1.797 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.569 -1.204 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.561 -2.933 -2.091 1.00 0.00 H new ATOM 1317 N THR A 114 4.613 -0.398 -3.964 1.00 0.00 N ATOM 1318 CA THR A 114 5.363 0.669 -4.636 1.00 0.00 C ATOM 1319 C THR A 114 4.538 1.965 -4.646 1.00 0.00 C ATOM 1320 O THR A 114 3.312 1.882 -4.710 1.00 0.00 O ATOM 1321 CB THR A 114 5.696 0.187 -6.063 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.796 -0.706 -6.024 1.00 0.00 O ATOM 1323 CG2 THR A 114 6.074 1.317 -7.012 1.00 0.00 C ATOM 0 H THR A 114 3.601 -0.275 -4.006 1.00 0.00 H new ATOM 0 HA THR A 114 6.291 0.888 -4.108 1.00 0.00 H new ATOM 0 HB THR A 114 4.788 -0.289 -6.433 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.867 -1.098 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.295 0.906 -7.997 1.00 0.00 H new ATOM 0 HG22 THR A 114 5.244 2.020 -7.090 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.953 1.835 -6.629 1.00 0.00 H new ATOM 1331 N ILE A 115 5.216 3.128 -4.657 1.00 0.00 N ATOM 1332 CA ILE A 115 4.742 4.475 -4.992 1.00 0.00 C ATOM 1333 C ILE A 115 5.909 5.257 -5.625 1.00 0.00 C ATOM 1334 O ILE A 115 7.017 5.250 -5.087 1.00 0.00 O ATOM 1335 CB ILE A 115 4.210 5.183 -3.719 1.00 0.00 C ATOM 1336 CG1 ILE A 115 2.836 4.587 -3.352 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.098 6.708 -3.867 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.102 5.346 -2.259 1.00 0.00 C ATOM 0 H ILE A 115 6.205 3.144 -4.407 1.00 0.00 H new ATOM 0 HA ILE A 115 3.919 4.424 -5.705 1.00 0.00 H new ATOM 0 HB ILE A 115 4.936 5.008 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.212 4.564 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 115 2.974 3.554 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.720 7.137 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.081 7.126 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.414 6.945 -4.682 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.145 4.863 -2.060 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.704 5.347 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 115 1.930 6.373 -2.582 1.00 0.00 H new ATOM 1350 N PRO A 116 5.682 5.991 -6.725 1.00 0.00 N ATOM 1351 CA PRO A 116 6.716 6.773 -7.379 1.00 0.00 C ATOM 1352 C PRO A 116 7.180 7.967 -6.537 1.00 0.00 C ATOM 1353 O PRO A 116 6.427 8.518 -5.732 1.00 0.00 O ATOM 1354 CB PRO A 116 6.085 7.261 -8.675 1.00 0.00 C ATOM 1355 CG PRO A 116 4.614 7.357 -8.318 1.00 0.00 C ATOM 1356 CD PRO A 116 4.413 6.161 -7.403 1.00 0.00 C ATOM 0 HA PRO A 116 7.607 6.166 -7.539 1.00 0.00 H new ATOM 0 HB2 PRO A 116 6.490 8.225 -8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 116 6.257 6.565 -9.496 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.380 8.295 -7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.978 7.302 -9.202 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.606 6.339 -6.692 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.146 5.270 -7.971 1.00 0.00 H new ATOM 1364 N GLN A 117 8.397 8.447 -6.808 1.00 0.00 N ATOM 1365 CA GLN A 117 9.036 9.545 -6.080 1.00 0.00 C ATOM 1366 C GLN A 117 8.232 10.850 -6.064 1.00 0.00 C ATOM 1367 O GLN A 117 8.414 11.652 -5.145 1.00 0.00 O ATOM 1368 CB GLN A 117 10.446 9.824 -6.647 1.00 0.00 C ATOM 1369 CG GLN A 117 11.514 8.796 -6.244 1.00 0.00 C ATOM 1370 CD GLN A 117 11.773 8.820 -4.740 1.00 0.00 C ATOM 1371 OE1 GLN A 117 12.670 9.505 -4.246 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.000 8.071 -3.975 1.00 0.00 N ATOM 0 H GLN A 117 8.979 8.073 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 117 9.095 9.204 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.385 9.857 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.768 10.811 -6.315 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.192 7.799 -6.543 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.441 9.005 -6.777 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.260 7.508 -4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.143 8.056 -2.965 1.00 0.00 H new ATOM 1381 N ALA A 118 7.349 11.084 -7.037 1.00 0.00 N ATOM 1382 CA ALA A 118 6.518 12.281 -7.036 1.00 0.00 C ATOM 1383 C ALA A 118 5.424 12.239 -5.960 1.00 0.00 C ATOM 1384 O ALA A 118 4.781 13.267 -5.742 1.00 0.00 O ATOM 1385 CB ALA A 118 5.909 12.497 -8.420 1.00 0.00 C ATOM 0 H ALA A 118 7.194 10.462 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 118 7.163 13.125 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.290 13.394 -8.409 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.706 12.615 -9.154 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.296 11.636 -8.686 1.00 0.00 H new ATOM 1391 N PHE A 119 5.174 11.110 -5.279 1.00 0.00 N ATOM 1392 CA PHE A 119 4.145 11.023 -4.258 1.00 0.00 C ATOM 1393 C PHE A 119 4.810 10.608 -2.946 1.00 0.00 C ATOM 1394 O PHE A 119 4.212 9.943 -2.106 1.00 0.00 O ATOM 1395 CB PHE A 119 3.096 10.002 -4.727 1.00 0.00 C ATOM 1396 CG PHE A 119 2.296 10.324 -5.981 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.920 10.439 -7.236 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.894 10.352 -5.923 1.00 0.00 C ATOM 1399 CE1 PHE A 119 2.164 10.580 -8.405 1.00 0.00 C ATOM 1400 CE2 PHE A 119 0.129 10.534 -7.093 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.765 10.624 -8.341 1.00 0.00 C ATOM 0 H PHE A 119 5.684 10.239 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 119 3.643 11.977 -4.095 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.605 9.052 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.390 9.850 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.998 10.418 -7.298 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.396 10.233 -4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.661 10.655 -9.361 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.947 10.604 -7.029 1.00 0.00 H new ATOM 0 HZ PHE A 119 0.181 10.726 -9.244 1.00 0.00 H new ATOM 1411 N MET A 120 6.012 11.119 -2.697 1.00 0.00 N ATOM 1412 CA MET A 120 6.759 10.884 -1.475 1.00 0.00 C ATOM 1413 C MET A 120 7.195 12.248 -0.970 1.00 0.00 C ATOM 1414 O MET A 120 7.315 13.201 -1.752 1.00 0.00 O ATOM 1415 CB MET A 120 7.966 9.976 -1.755 1.00 0.00 C ATOM 1416 CG MET A 120 7.600 8.626 -2.393 1.00 0.00 C ATOM 1417 SD MET A 120 6.483 7.535 -1.466 1.00 0.00 S ATOM 1418 CE MET A 120 7.358 7.396 0.111 1.00 0.00 C ATOM 0 H MET A 120 6.502 11.722 -3.358 1.00 0.00 H new ATOM 0 HA MET A 120 6.154 10.375 -0.725 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.658 10.502 -2.414 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.494 9.792 -0.819 1.00 0.00 H new ATOM 0 HG2 MET A 120 7.146 8.825 -3.364 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.525 8.080 -2.579 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.839 6.685 0.754 1.00 0.00 H new ATOM 0 HE2 MET A 120 8.376 7.048 -0.067 1.00 0.00 H new ATOM 0 HE3 MET A 120 7.388 8.371 0.598 1.00 0.00 H new ATOM 1428 N SER A 121 7.444 12.387 0.326 1.00 0.00 N ATOM 1429 CA SER A 121 7.874 13.649 0.899 1.00 0.00 C ATOM 1430 C SER A 121 9.364 13.869 0.672 1.00 0.00 C ATOM 1431 O SER A 121 10.154 13.830 1.616 1.00 0.00 O ATOM 1432 CB SER A 121 7.460 13.707 2.359 1.00 0.00 C ATOM 1433 OG SER A 121 7.716 12.501 3.059 1.00 0.00 O ATOM 0 H SER A 121 7.353 11.630 1.004 1.00 0.00 H new ATOM 0 HA SER A 121 7.379 14.479 0.395 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.991 14.524 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.396 13.936 2.420 1.00 0.00 H new ATOM 0 HG SER A 121 7.431 12.597 3.992 1.00 0.00 H new