USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 45 THR OG1 : rot 136:sc= 1.24 USER MOD Set 1.2: A 47 TYR OH : rot 180:sc= 0.587 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -4.09! C(o=-4.1!,f=-7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -6.47! C(o=-6.5!,f=-4.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 12:sc= 0.115 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -170:sc=-7.37e-05 USER MOD Single : A 64 SER OG : rot 43:sc= 0.258 USER MOD Single : A 71 SER OG : rot -111:sc= 0.0064 USER MOD Single : A 73 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.1!) USER MOD Single : A 86 HIS : no HE2:sc= -3.08 K(o=-3.1,f=-9.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -124:sc= -1.22 (180deg=-4.15!) USER MOD Single : A 92 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.2!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -107:sc= -0.612 USER MOD Single : A 132 MET CE :methyl -159:sc= -1.36 (180deg=-1.88) USER MOD Single : A 134 THR OG1 : rot 80:sc= 0.48 USER MOD Single : A 136 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 CYS SG : rot 180:sc= 0 USER MOD Single : A 139 CYS SG : rot 102:sc= -0.285 USER MOD Single : A 140 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 28 10.721 6.265 5.633 1.00 0.00 N ATOM 19 CA GLN A 28 11.016 4.850 6.017 1.00 0.00 C ATOM 20 C GLN A 28 10.424 4.546 7.397 1.00 0.00 C ATOM 21 O GLN A 28 10.240 5.435 8.209 1.00 0.00 O ATOM 22 CB GLN A 28 12.541 4.759 6.063 1.00 0.00 C ATOM 23 CG GLN A 28 13.116 5.057 4.678 1.00 0.00 C ATOM 24 CD GLN A 28 14.641 4.952 4.725 1.00 0.00 C ATOM 25 OE1 GLN A 28 15.189 3.868 4.692 1.00 0.00 O ATOM 26 NE2 GLN A 28 15.355 6.041 4.803 1.00 0.00 N ATOM 0 HA GLN A 28 10.586 4.135 5.316 1.00 0.00 H new ATOM 0 HB2 GLN A 28 12.936 5.467 6.791 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.846 3.764 6.388 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.715 4.355 3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 28 12.819 6.055 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.895 6.951 4.831 1.00 0.00 H new ATOM 0 HE22 GLN A 28 16.373 5.982 4.836 1.00 0.00 H new ATOM 35 N GLN A 29 10.132 3.294 7.666 1.00 0.00 N ATOM 36 CA GLN A 29 9.556 2.912 8.995 1.00 0.00 C ATOM 37 C GLN A 29 10.481 1.898 9.697 1.00 0.00 C ATOM 38 O GLN A 29 10.998 1.009 9.049 1.00 0.00 O ATOM 39 CB GLN A 29 8.198 2.275 8.676 1.00 0.00 C ATOM 40 CG GLN A 29 7.070 3.260 8.993 1.00 0.00 C ATOM 41 CD GLN A 29 6.718 4.054 7.733 1.00 0.00 C ATOM 42 OE1 GLN A 29 5.798 3.706 7.019 1.00 0.00 O ATOM 43 NE2 GLN A 29 7.413 5.114 7.427 1.00 0.00 N ATOM 0 H GLN A 29 10.269 2.518 7.019 1.00 0.00 H new ATOM 0 HA GLN A 29 9.453 3.767 9.663 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.159 1.990 7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.069 1.363 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 29 6.193 2.722 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.378 3.938 9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.185 5.408 8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 29 7.184 5.650 6.590 1.00 0.00 H new ATOM 52 N PRO A 30 10.674 2.051 11.002 1.00 0.00 N ATOM 53 CA PRO A 30 11.559 1.109 11.733 1.00 0.00 C ATOM 54 C PRO A 30 10.912 -0.287 11.857 1.00 0.00 C ATOM 55 O PRO A 30 11.157 -1.147 11.030 1.00 0.00 O ATOM 56 CB PRO A 30 11.763 1.779 13.093 1.00 0.00 C ATOM 57 CG PRO A 30 10.576 2.670 13.275 1.00 0.00 C ATOM 58 CD PRO A 30 10.114 3.082 11.903 1.00 0.00 C ATOM 0 HA PRO A 30 12.504 0.929 11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 30 11.825 1.039 13.891 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.691 2.350 13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.781 2.148 13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 30 10.839 3.544 13.871 1.00 0.00 H new ATOM 0 HD2 PRO A 30 9.026 3.114 11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.477 4.076 11.643 1.00 0.00 H new ATOM 66 N GLU A 31 10.105 -0.528 12.879 1.00 0.00 N ATOM 67 CA GLU A 31 9.469 -1.874 13.042 1.00 0.00 C ATOM 68 C GLU A 31 7.946 -1.796 12.873 1.00 0.00 C ATOM 69 O GLU A 31 7.258 -1.184 13.669 1.00 0.00 O ATOM 70 CB GLU A 31 9.825 -2.304 14.464 1.00 0.00 C ATOM 71 CG GLU A 31 9.325 -3.730 14.709 1.00 0.00 C ATOM 72 CD GLU A 31 9.573 -4.117 16.168 1.00 0.00 C ATOM 73 OE1 GLU A 31 9.479 -3.246 17.019 1.00 0.00 O ATOM 74 OE2 GLU A 31 9.854 -5.280 16.411 1.00 0.00 O ATOM 0 H GLU A 31 9.865 0.152 13.600 1.00 0.00 H new ATOM 0 HA GLU A 31 9.823 -2.580 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.904 -2.256 14.610 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.375 -1.621 15.185 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.261 -3.798 14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.839 -4.425 14.045 1.00 0.00 H new ATOM 81 N THR A 32 7.424 -2.427 11.849 1.00 0.00 N ATOM 82 CA THR A 32 5.945 -2.422 11.617 1.00 0.00 C ATOM 83 C THR A 32 5.492 -3.814 11.158 1.00 0.00 C ATOM 84 O THR A 32 6.292 -4.579 10.642 1.00 0.00 O ATOM 85 CB THR A 32 5.720 -1.368 10.522 1.00 0.00 C ATOM 86 OG1 THR A 32 4.332 -1.282 10.232 1.00 0.00 O ATOM 87 CG2 THR A 32 6.491 -1.744 9.250 1.00 0.00 C ATOM 0 H THR A 32 7.963 -2.949 11.159 1.00 0.00 H new ATOM 0 HA THR A 32 5.373 -2.187 12.514 1.00 0.00 H new ATOM 0 HB THR A 32 6.083 -0.404 10.877 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.185 -0.609 9.535 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.321 -0.987 8.484 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.556 -1.801 9.474 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.144 -2.712 8.887 1.00 0.00 H new ATOM 95 N GLU A 33 4.226 -4.150 11.335 1.00 0.00 N ATOM 96 CA GLU A 33 3.748 -5.500 10.899 1.00 0.00 C ATOM 97 C GLU A 33 2.846 -5.382 9.663 1.00 0.00 C ATOM 98 O GLU A 33 2.105 -4.427 9.514 1.00 0.00 O ATOM 99 CB GLU A 33 2.944 -6.027 12.089 1.00 0.00 C ATOM 100 CG GLU A 33 3.861 -6.175 13.306 1.00 0.00 C ATOM 101 CD GLU A 33 3.051 -6.663 14.512 1.00 0.00 C ATOM 102 OE1 GLU A 33 1.881 -6.320 14.598 1.00 0.00 O ATOM 103 OE2 GLU A 33 3.615 -7.370 15.331 1.00 0.00 O ATOM 0 H GLU A 33 3.516 -3.551 11.758 1.00 0.00 H new ATOM 0 HA GLU A 33 4.572 -6.158 10.625 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.126 -5.344 12.319 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.496 -6.989 11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.662 -6.880 13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.332 -5.219 13.536 1.00 0.00 H new ATOM 110 N ALA A 34 2.900 -6.361 8.783 1.00 0.00 N ATOM 111 CA ALA A 34 2.045 -6.337 7.562 1.00 0.00 C ATOM 112 C ALA A 34 0.984 -7.435 7.569 1.00 0.00 C ATOM 113 O ALA A 34 1.312 -8.622 7.660 1.00 0.00 O ATOM 114 CB ALA A 34 2.990 -6.556 6.390 1.00 0.00 C ATOM 0 H ALA A 34 3.506 -7.177 8.866 1.00 0.00 H new ATOM 0 HA ALA A 34 1.507 -5.391 7.505 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.423 -6.549 5.459 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.733 -5.759 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.492 -7.517 6.502 1.00 0.00 H new ATOM 120 N VAL A 35 -0.254 -7.036 7.381 1.00 0.00 N ATOM 121 CA VAL A 35 -1.392 -8.003 7.267 1.00 0.00 C ATOM 122 C VAL A 35 -2.096 -7.676 5.938 1.00 0.00 C ATOM 123 O VAL A 35 -2.277 -6.512 5.620 1.00 0.00 O ATOM 124 CB VAL A 35 -2.298 -7.765 8.483 1.00 0.00 C ATOM 125 CG1 VAL A 35 -3.587 -8.597 8.364 1.00 0.00 C ATOM 126 CG2 VAL A 35 -1.549 -8.163 9.754 1.00 0.00 C ATOM 0 H VAL A 35 -0.527 -6.057 7.300 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.094 -9.052 7.262 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.566 -6.709 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.218 -8.417 9.234 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.124 -8.309 7.460 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.333 -9.656 8.313 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.189 -7.996 10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.278 -9.217 9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.646 -7.560 9.848 1.00 0.00 H new ATOM 136 N LEU A 36 -2.430 -8.671 5.134 1.00 0.00 N ATOM 137 CA LEU A 36 -3.046 -8.372 3.792 1.00 0.00 C ATOM 138 C LEU A 36 -4.373 -9.106 3.529 1.00 0.00 C ATOM 139 O LEU A 36 -4.467 -10.315 3.596 1.00 0.00 O ATOM 140 CB LEU A 36 -1.990 -8.807 2.768 1.00 0.00 C ATOM 141 CG LEU A 36 -1.857 -7.751 1.662 1.00 0.00 C ATOM 142 CD1 LEU A 36 -0.740 -8.157 0.700 1.00 0.00 C ATOM 143 CD2 LEU A 36 -3.177 -7.640 0.888 1.00 0.00 C ATOM 0 H LEU A 36 -2.305 -9.661 5.346 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.305 -7.315 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.029 -8.948 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.269 -9.767 2.333 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.620 -6.788 2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.646 -7.407 -0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.201 -8.232 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.978 -9.122 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.077 -6.889 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.418 -8.604 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.975 -7.348 1.570 1.00 0.00 H new ATOM 155 N ASN A 37 -5.394 -8.342 3.180 1.00 0.00 N ATOM 156 CA ASN A 37 -6.773 -8.872 2.828 1.00 0.00 C ATOM 157 C ASN A 37 -7.483 -9.529 4.015 1.00 0.00 C ATOM 158 O ASN A 37 -8.481 -10.195 3.828 1.00 0.00 O ATOM 159 CB ASN A 37 -6.552 -9.911 1.702 1.00 0.00 C ATOM 160 CG ASN A 37 -7.818 -10.088 0.859 1.00 0.00 C ATOM 161 OD1 ASN A 37 -8.888 -10.320 1.383 1.00 0.00 O ATOM 162 ND2 ASN A 37 -7.735 -10.003 -0.441 1.00 0.00 N ATOM 0 H ASN A 37 -5.327 -7.326 3.122 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.417 -8.048 2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.728 -9.591 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.264 -10.868 2.137 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.569 -10.131 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.837 -9.808 -0.883 1.00 0.00 H new ATOM 169 N GLY A 38 -7.040 -9.288 5.227 1.00 0.00 N ATOM 170 CA GLY A 38 -7.728 -9.874 6.423 1.00 0.00 C ATOM 171 C GLY A 38 -6.952 -11.087 6.969 1.00 0.00 C ATOM 172 O GLY A 38 -7.288 -11.601 8.021 1.00 0.00 O ATOM 0 H GLY A 38 -6.228 -8.708 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.820 -9.116 7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.739 -10.177 6.153 1.00 0.00 H new ATOM 176 N LYS A 39 -5.918 -11.541 6.279 1.00 0.00 N ATOM 177 CA LYS A 39 -5.129 -12.707 6.776 1.00 0.00 C ATOM 178 C LYS A 39 -3.867 -12.190 7.460 1.00 0.00 C ATOM 179 O LYS A 39 -3.360 -11.139 7.112 1.00 0.00 O ATOM 180 CB LYS A 39 -4.777 -13.517 5.527 1.00 0.00 C ATOM 181 CG LYS A 39 -4.129 -14.838 5.943 1.00 0.00 C ATOM 182 CD LYS A 39 -3.853 -15.686 4.698 1.00 0.00 C ATOM 183 CE LYS A 39 -2.696 -15.071 3.905 1.00 0.00 C ATOM 184 NZ LYS A 39 -1.490 -15.832 4.333 1.00 0.00 N ATOM 0 H LYS A 39 -5.595 -11.148 5.395 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.674 -13.315 7.498 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.675 -13.709 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.096 -12.950 4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.199 -14.646 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.785 -15.378 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.606 -16.707 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.746 -15.739 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.860 -15.163 2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.590 -14.008 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.654 -15.468 3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.355 -15.721 5.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.617 -16.839 4.108 1.00 0.00 H new ATOM 198 N GLY A 40 -3.371 -12.908 8.442 1.00 0.00 N ATOM 199 CA GLY A 40 -2.160 -12.449 9.174 1.00 0.00 C ATOM 200 C GLY A 40 -0.919 -12.624 8.301 1.00 0.00 C ATOM 201 O GLY A 40 -0.525 -13.721 7.956 1.00 0.00 O ATOM 0 H GLY A 40 -3.759 -13.795 8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.271 -11.402 9.455 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.047 -13.017 10.098 1.00 0.00 H new ATOM 205 N LEU A 41 -0.294 -11.527 7.975 1.00 0.00 N ATOM 206 CA LEU A 41 0.948 -11.553 7.157 1.00 0.00 C ATOM 207 C LEU A 41 2.136 -11.154 8.057 1.00 0.00 C ATOM 208 O LEU A 41 1.974 -10.760 9.193 1.00 0.00 O ATOM 209 CB LEU A 41 0.774 -10.650 5.910 1.00 0.00 C ATOM 210 CG LEU A 41 0.871 -11.501 4.612 1.00 0.00 C ATOM 211 CD1 LEU A 41 -0.494 -11.562 3.916 1.00 0.00 C ATOM 212 CD2 LEU A 41 1.898 -10.880 3.647 1.00 0.00 C ATOM 0 H LEU A 41 -0.600 -10.593 8.248 1.00 0.00 H new ATOM 0 HA LEU A 41 1.154 -12.553 6.775 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.191 -10.144 5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.541 -9.875 5.903 1.00 0.00 H new ATOM 0 HG LEU A 41 1.187 -12.508 4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.413 -12.160 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.224 -12.016 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.816 -10.553 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.958 -11.484 2.742 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.588 -9.868 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.876 -10.848 4.127 1.00 0.00 H new ATOM 224 N GLY A 42 3.308 -11.353 7.571 1.00 0.00 N ATOM 225 CA GLY A 42 4.563 -11.118 8.357 1.00 0.00 C ATOM 226 C GLY A 42 4.769 -9.663 8.776 1.00 0.00 C ATOM 227 O GLY A 42 3.938 -8.801 8.568 1.00 0.00 O ATOM 0 H GLY A 42 3.472 -11.684 6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.543 -11.743 9.250 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.418 -11.439 7.762 1.00 0.00 H new ATOM 231 N THR A 43 5.906 -9.414 9.386 1.00 0.00 N ATOM 232 CA THR A 43 6.255 -8.048 9.865 1.00 0.00 C ATOM 233 C THR A 43 7.656 -7.672 9.377 1.00 0.00 C ATOM 234 O THR A 43 8.512 -8.525 9.234 1.00 0.00 O ATOM 235 CB THR A 43 6.202 -8.115 11.396 1.00 0.00 C ATOM 236 OG1 THR A 43 6.563 -6.849 11.931 1.00 0.00 O ATOM 237 CG2 THR A 43 7.172 -9.182 11.922 1.00 0.00 C ATOM 0 H THR A 43 6.618 -10.120 9.573 1.00 0.00 H new ATOM 0 HA THR A 43 5.570 -7.290 9.486 1.00 0.00 H new ATOM 0 HB THR A 43 5.190 -8.378 11.703 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.573 -6.181 11.214 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.121 -9.215 13.010 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.897 -10.155 11.516 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.188 -8.934 11.614 1.00 0.00 H new ATOM 245 N GLY A 44 7.881 -6.409 9.091 1.00 0.00 N ATOM 246 CA GLY A 44 9.208 -5.975 8.574 1.00 0.00 C ATOM 247 C GLY A 44 9.298 -4.460 8.539 1.00 0.00 C ATOM 248 O GLY A 44 8.933 -3.770 9.479 1.00 0.00 O ATOM 0 H GLY A 44 7.195 -5.661 9.196 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.000 -6.377 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.364 -6.377 7.573 1.00 0.00 H new ATOM 252 N THR A 45 9.806 -3.949 7.456 1.00 0.00 N ATOM 253 CA THR A 45 9.968 -2.468 7.308 1.00 0.00 C ATOM 254 C THR A 45 9.170 -1.945 6.111 1.00 0.00 C ATOM 255 O THR A 45 9.040 -2.611 5.100 1.00 0.00 O ATOM 256 CB THR A 45 11.469 -2.244 7.091 1.00 0.00 C ATOM 257 OG1 THR A 45 11.914 -3.031 5.991 1.00 0.00 O ATOM 258 CG2 THR A 45 12.236 -2.641 8.356 1.00 0.00 C ATOM 0 H THR A 45 10.121 -4.496 6.655 1.00 0.00 H new ATOM 0 HA THR A 45 9.597 -1.936 8.184 1.00 0.00 H new ATOM 0 HB THR A 45 11.651 -1.191 6.877 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.505 -2.494 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.303 -2.481 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.897 -2.032 9.194 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.055 -3.693 8.576 1.00 0.00 H new ATOM 266 N LEU A 46 8.638 -0.750 6.228 1.00 0.00 N ATOM 267 CA LEU A 46 7.843 -0.155 5.110 1.00 0.00 C ATOM 268 C LEU A 46 8.613 0.999 4.456 1.00 0.00 C ATOM 269 O LEU A 46 9.030 1.930 5.121 1.00 0.00 O ATOM 270 CB LEU A 46 6.566 0.368 5.767 1.00 0.00 C ATOM 271 CG LEU A 46 5.591 0.841 4.686 1.00 0.00 C ATOM 272 CD1 LEU A 46 4.155 0.749 5.212 1.00 0.00 C ATOM 273 CD2 LEU A 46 5.910 2.289 4.296 1.00 0.00 C ATOM 0 H LEU A 46 8.722 -0.160 7.056 1.00 0.00 H new ATOM 0 HA LEU A 46 7.636 -0.883 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.106 -0.417 6.368 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.803 1.190 6.443 1.00 0.00 H new ATOM 0 HG LEU A 46 5.693 0.205 3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.463 1.086 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.929 -0.284 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.050 1.380 6.095 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.213 2.620 3.526 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.816 2.931 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.929 2.346 3.912 1.00 0.00 H new ATOM 285 N TYR A 47 8.787 0.942 3.158 1.00 0.00 N ATOM 286 CA TYR A 47 9.517 2.036 2.437 1.00 0.00 C ATOM 287 C TYR A 47 8.535 2.794 1.540 1.00 0.00 C ATOM 288 O TYR A 47 7.766 2.190 0.810 1.00 0.00 O ATOM 289 CB TYR A 47 10.586 1.338 1.583 1.00 0.00 C ATOM 290 CG TYR A 47 11.504 0.524 2.468 1.00 0.00 C ATOM 291 CD1 TYR A 47 11.196 -0.811 2.748 1.00 0.00 C ATOM 292 CD2 TYR A 47 12.657 1.106 3.008 1.00 0.00 C ATOM 293 CE1 TYR A 47 12.041 -1.566 3.565 1.00 0.00 C ATOM 294 CE2 TYR A 47 13.503 0.349 3.828 1.00 0.00 C ATOM 295 CZ TYR A 47 13.194 -0.988 4.106 1.00 0.00 C ATOM 296 OH TYR A 47 14.028 -1.734 4.915 1.00 0.00 O ATOM 0 H TYR A 47 8.454 0.183 2.563 1.00 0.00 H new ATOM 0 HA TYR A 47 9.967 2.752 3.125 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.110 0.691 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.163 2.079 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.305 -1.258 2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.894 2.137 2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.804 -2.598 3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.393 0.796 4.246 1.00 0.00 H new ATOM 0 HH TYR A 47 14.783 -1.181 5.205 1.00 0.00 H new ATOM 306 N ILE A 48 8.550 4.108 1.593 1.00 0.00 N ATOM 307 CA ILE A 48 7.608 4.910 0.747 1.00 0.00 C ATOM 308 C ILE A 48 8.381 5.687 -0.325 1.00 0.00 C ATOM 309 O ILE A 48 9.319 6.407 -0.031 1.00 0.00 O ATOM 310 CB ILE A 48 6.901 5.867 1.722 1.00 0.00 C ATOM 311 CG1 ILE A 48 6.154 5.056 2.787 1.00 0.00 C ATOM 312 CG2 ILE A 48 5.895 6.737 0.959 1.00 0.00 C ATOM 313 CD1 ILE A 48 5.583 5.999 3.846 1.00 0.00 C ATOM 0 H ILE A 48 9.173 4.657 2.185 1.00 0.00 H new ATOM 0 HA ILE A 48 6.894 4.280 0.217 1.00 0.00 H new ATOM 0 HB ILE A 48 7.647 6.504 2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.350 4.484 2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.830 4.338 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.397 7.413 1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.419 7.318 0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.153 6.099 0.479 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.053 5.419 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.396 6.552 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.893 6.699 3.375 1.00 0.00 H new ATOM 325 N ALA A 49 7.979 5.543 -1.564 1.00 0.00 N ATOM 326 CA ALA A 49 8.660 6.267 -2.681 1.00 0.00 C ATOM 327 C ALA A 49 7.738 7.367 -3.217 1.00 0.00 C ATOM 328 O ALA A 49 6.528 7.236 -3.196 1.00 0.00 O ATOM 329 CB ALA A 49 8.913 5.206 -3.751 1.00 0.00 C ATOM 0 H ALA A 49 7.201 4.949 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 49 9.587 6.746 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 49 9.412 5.663 -4.606 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.545 4.419 -3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.963 4.779 -4.071 1.00 0.00 H new ATOM 335 N GLU A 50 8.303 8.452 -3.696 1.00 0.00 N ATOM 336 CA GLU A 50 7.470 9.589 -4.232 1.00 0.00 C ATOM 337 C GLU A 50 6.430 9.104 -5.254 1.00 0.00 C ATOM 338 O GLU A 50 5.380 9.705 -5.407 1.00 0.00 O ATOM 339 CB GLU A 50 8.467 10.538 -4.905 1.00 0.00 C ATOM 340 CG GLU A 50 7.740 11.807 -5.356 1.00 0.00 C ATOM 341 CD GLU A 50 8.721 12.723 -6.089 1.00 0.00 C ATOM 342 OE1 GLU A 50 9.651 13.192 -5.454 1.00 0.00 O ATOM 343 OE2 GLU A 50 8.525 12.941 -7.273 1.00 0.00 O ATOM 0 H GLU A 50 9.311 8.603 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 50 6.908 10.070 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.268 10.792 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.930 10.048 -5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.908 11.549 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.318 12.323 -4.494 1.00 0.00 H new ATOM 350 N SER A 51 6.718 8.027 -5.950 1.00 0.00 N ATOM 351 CA SER A 51 5.750 7.497 -6.964 1.00 0.00 C ATOM 352 C SER A 51 5.607 5.977 -6.838 1.00 0.00 C ATOM 353 O SER A 51 5.243 5.309 -7.791 1.00 0.00 O ATOM 354 CB SER A 51 6.359 7.867 -8.316 1.00 0.00 C ATOM 355 OG SER A 51 7.457 7.006 -8.588 1.00 0.00 O ATOM 0 H SER A 51 7.582 7.493 -5.859 1.00 0.00 H new ATOM 0 HA SER A 51 4.751 7.913 -6.832 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.609 7.778 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.690 8.906 -8.307 1.00 0.00 H new ATOM 0 HG SER A 51 7.849 7.240 -9.455 1.00 0.00 H new ATOM 361 N ARG A 52 5.889 5.425 -5.677 1.00 0.00 N ATOM 362 CA ARG A 52 5.766 3.942 -5.489 1.00 0.00 C ATOM 363 C ARG A 52 5.897 3.576 -4.007 1.00 0.00 C ATOM 364 O ARG A 52 6.357 4.369 -3.209 1.00 0.00 O ATOM 365 CB ARG A 52 6.927 3.344 -6.289 1.00 0.00 C ATOM 366 CG ARG A 52 6.755 1.828 -6.394 1.00 0.00 C ATOM 367 CD ARG A 52 7.898 1.239 -7.225 1.00 0.00 C ATOM 368 NE ARG A 52 7.529 -0.190 -7.420 1.00 0.00 N ATOM 369 CZ ARG A 52 7.672 -0.748 -8.590 1.00 0.00 C ATOM 370 NH1 ARG A 52 7.302 -0.108 -9.667 1.00 0.00 N ATOM 371 NH2 ARG A 52 8.182 -1.946 -8.687 1.00 0.00 N ATOM 0 H ARG A 52 6.199 5.939 -4.852 1.00 0.00 H new ATOM 0 HA ARG A 52 4.799 3.566 -5.823 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.960 3.786 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.874 3.579 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.748 1.383 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.796 1.592 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.000 1.755 -8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.853 1.334 -6.708 1.00 0.00 H new ATOM 0 HE ARG A 52 7.164 -0.733 -6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.902 0.827 -9.592 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.413 -0.543 -10.583 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.470 -2.447 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.293 -2.380 -9.603 1.00 0.00 H new ATOM 385 N LEU A 53 5.499 2.377 -3.644 1.00 0.00 N ATOM 386 CA LEU A 53 5.602 1.942 -2.216 1.00 0.00 C ATOM 387 C LEU A 53 6.276 0.569 -2.142 1.00 0.00 C ATOM 388 O LEU A 53 5.837 -0.374 -2.779 1.00 0.00 O ATOM 389 CB LEU A 53 4.159 1.863 -1.716 1.00 0.00 C ATOM 390 CG LEU A 53 4.109 2.249 -0.236 1.00 0.00 C ATOM 391 CD1 LEU A 53 2.707 2.747 0.116 1.00 0.00 C ATOM 392 CD2 LEU A 53 4.445 1.027 0.623 1.00 0.00 C ATOM 0 H LEU A 53 5.107 1.681 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 53 6.198 2.627 -1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.524 2.531 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.770 0.854 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 53 4.834 3.040 -0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.672 3.022 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.466 3.618 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.981 1.957 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.409 1.302 1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.720 0.236 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.445 0.671 0.375 1.00 0.00 H new ATOM 404 N SER A 54 7.340 0.456 -1.379 1.00 0.00 N ATOM 405 CA SER A 54 8.056 -0.853 -1.264 1.00 0.00 C ATOM 406 C SER A 54 8.007 -1.373 0.174 1.00 0.00 C ATOM 407 O SER A 54 8.330 -0.662 1.108 1.00 0.00 O ATOM 408 CB SER A 54 9.495 -0.556 -1.679 1.00 0.00 C ATOM 409 OG SER A 54 9.517 -0.156 -3.043 1.00 0.00 O ATOM 0 H SER A 54 7.742 1.216 -0.831 1.00 0.00 H new ATOM 0 HA SER A 54 7.600 -1.622 -1.888 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.912 0.231 -1.050 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.117 -1.440 -1.537 1.00 0.00 H new ATOM 0 HG SER A 54 10.439 0.037 -3.312 1.00 0.00 H new ATOM 415 N TRP A 55 7.611 -2.612 0.349 1.00 0.00 N ATOM 416 CA TRP A 55 7.541 -3.202 1.721 1.00 0.00 C ATOM 417 C TRP A 55 8.492 -4.396 1.836 1.00 0.00 C ATOM 418 O TRP A 55 8.676 -5.139 0.887 1.00 0.00 O ATOM 419 CB TRP A 55 6.089 -3.641 1.908 1.00 0.00 C ATOM 420 CG TRP A 55 5.709 -3.479 3.343 1.00 0.00 C ATOM 421 CD1 TRP A 55 5.129 -2.382 3.867 1.00 0.00 C ATOM 422 CD2 TRP A 55 5.870 -4.421 4.440 1.00 0.00 C ATOM 423 NE1 TRP A 55 4.936 -2.581 5.222 1.00 0.00 N ATOM 424 CE2 TRP A 55 5.373 -3.826 5.622 1.00 0.00 C ATOM 425 CE3 TRP A 55 6.393 -5.720 4.519 1.00 0.00 C ATOM 426 CZ2 TRP A 55 5.395 -4.498 6.842 1.00 0.00 C ATOM 427 CZ3 TRP A 55 6.408 -6.399 5.742 1.00 0.00 C ATOM 428 CH2 TRP A 55 5.911 -5.791 6.897 1.00 0.00 C ATOM 0 H TRP A 55 7.332 -3.241 -0.404 1.00 0.00 H new ATOM 0 HA TRP A 55 7.841 -2.487 2.487 1.00 0.00 H new ATOM 0 HB2 TRP A 55 5.432 -3.044 1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 55 5.968 -4.680 1.602 1.00 0.00 H new ATOM 0 HD1 TRP A 55 4.859 -1.492 3.318 1.00 0.00 H new ATOM 0 HE1 TRP A 55 4.521 -1.891 5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.785 -6.197 3.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 5.017 -4.022 7.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.807 -7.401 5.793 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.927 -6.325 7.836 1.00 0.00 H new ATOM 439 N LEU A 56 9.103 -4.573 2.985 1.00 0.00 N ATOM 440 CA LEU A 56 10.057 -5.710 3.169 1.00 0.00 C ATOM 441 C LEU A 56 9.591 -6.664 4.273 1.00 0.00 C ATOM 442 O LEU A 56 9.200 -6.241 5.348 1.00 0.00 O ATOM 443 CB LEU A 56 11.364 -5.045 3.555 1.00 0.00 C ATOM 444 CG LEU A 56 12.475 -6.093 3.648 1.00 0.00 C ATOM 445 CD1 LEU A 56 13.797 -5.469 3.195 1.00 0.00 C ATOM 446 CD2 LEU A 56 12.609 -6.581 5.095 1.00 0.00 C ATOM 0 H LEU A 56 8.980 -3.977 3.803 1.00 0.00 H new ATOM 0 HA LEU A 56 10.142 -6.318 2.269 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.628 -4.287 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.253 -4.534 4.511 1.00 0.00 H new ATOM 0 HG LEU A 56 12.229 -6.939 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.591 -6.213 3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.703 -5.127 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.039 -4.623 3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.401 -7.327 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.854 -5.739 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.667 -7.025 5.418 1.00 0.00 H new ATOM 458 N ASP A 57 9.643 -7.951 4.008 1.00 0.00 N ATOM 459 CA ASP A 57 9.210 -8.967 5.021 1.00 0.00 C ATOM 460 C ASP A 57 10.323 -9.268 6.035 1.00 0.00 C ATOM 461 O ASP A 57 11.501 -9.323 5.704 1.00 0.00 O ATOM 462 CB ASP A 57 8.856 -10.225 4.225 1.00 0.00 C ATOM 463 CG ASP A 57 7.941 -11.120 5.062 1.00 0.00 C ATOM 464 OD1 ASP A 57 7.135 -10.586 5.805 1.00 0.00 O ATOM 465 OD2 ASP A 57 8.065 -12.330 4.947 1.00 0.00 O ATOM 0 H ASP A 57 9.970 -8.343 3.125 1.00 0.00 H new ATOM 0 HA ASP A 57 8.363 -8.599 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.361 -9.951 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.764 -10.765 3.956 1.00 0.00 H new ATOM 470 N GLY A 58 9.918 -9.462 7.270 1.00 0.00 N ATOM 471 CA GLY A 58 10.852 -9.749 8.407 1.00 0.00 C ATOM 472 C GLY A 58 11.812 -10.911 8.124 1.00 0.00 C ATOM 473 O GLY A 58 12.818 -11.046 8.803 1.00 0.00 O ATOM 0 H GLY A 58 8.936 -9.431 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.432 -8.853 8.627 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.268 -9.978 9.299 1.00 0.00 H new ATOM 477 N SER A 59 11.529 -11.752 7.147 1.00 0.00 N ATOM 478 CA SER A 59 12.445 -12.904 6.850 1.00 0.00 C ATOM 479 C SER A 59 13.586 -12.491 5.900 1.00 0.00 C ATOM 480 O SER A 59 14.243 -13.340 5.321 1.00 0.00 O ATOM 481 CB SER A 59 11.555 -13.950 6.184 1.00 0.00 C ATOM 482 OG SER A 59 11.283 -13.553 4.845 1.00 0.00 O ATOM 0 H SER A 59 10.707 -11.688 6.547 1.00 0.00 H new ATOM 0 HA SER A 59 12.925 -13.275 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.047 -14.922 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.624 -14.058 6.740 1.00 0.00 H new ATOM 0 HG SER A 59 10.590 -14.133 4.466 1.00 0.00 H new ATOM 488 N GLY A 60 13.828 -11.204 5.730 1.00 0.00 N ATOM 489 CA GLY A 60 14.918 -10.746 4.822 1.00 0.00 C ATOM 490 C GLY A 60 14.466 -10.802 3.368 1.00 0.00 C ATOM 491 O GLY A 60 15.281 -10.886 2.465 1.00 0.00 O ATOM 0 H GLY A 60 13.309 -10.455 6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 60 15.208 -9.727 5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.799 -11.373 4.959 1.00 0.00 H new ATOM 495 N LEU A 61 13.177 -10.754 3.139 1.00 0.00 N ATOM 496 CA LEU A 61 12.656 -10.801 1.735 1.00 0.00 C ATOM 497 C LEU A 61 11.637 -9.691 1.548 1.00 0.00 C ATOM 498 O LEU A 61 10.708 -9.593 2.317 1.00 0.00 O ATOM 499 CB LEU A 61 11.998 -12.176 1.591 1.00 0.00 C ATOM 500 CG LEU A 61 13.032 -13.283 1.842 1.00 0.00 C ATOM 501 CD1 LEU A 61 12.342 -14.652 1.796 1.00 0.00 C ATOM 502 CD2 LEU A 61 14.130 -13.221 0.769 1.00 0.00 C ATOM 0 H LEU A 61 12.462 -10.684 3.863 1.00 0.00 H new ATOM 0 HA LEU A 61 13.437 -10.660 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.174 -12.270 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.574 -12.283 0.592 1.00 0.00 H new ATOM 0 HG LEU A 61 13.482 -13.138 2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.078 -15.436 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.570 -14.697 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.887 -14.797 0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.862 -14.008 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.684 -13.360 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.624 -12.250 0.810 1.00 0.00 H new ATOM 514 N GLY A 62 11.807 -8.844 0.553 1.00 0.00 N ATOM 515 CA GLY A 62 10.835 -7.723 0.363 1.00 0.00 C ATOM 516 C GLY A 62 10.199 -7.745 -1.019 1.00 0.00 C ATOM 517 O GLY A 62 10.509 -8.568 -1.858 1.00 0.00 O ATOM 0 H GLY A 62 12.568 -8.883 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.055 -7.788 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.346 -6.772 0.511 1.00 0.00 H new ATOM 521 N PHE A 63 9.293 -6.828 -1.238 1.00 0.00 N ATOM 522 CA PHE A 63 8.594 -6.739 -2.546 1.00 0.00 C ATOM 523 C PHE A 63 8.127 -5.306 -2.782 1.00 0.00 C ATOM 524 O PHE A 63 7.734 -4.616 -1.856 1.00 0.00 O ATOM 525 CB PHE A 63 7.419 -7.730 -2.466 1.00 0.00 C ATOM 526 CG PHE A 63 6.425 -7.339 -1.387 1.00 0.00 C ATOM 527 CD1 PHE A 63 6.776 -7.410 -0.031 1.00 0.00 C ATOM 528 CD2 PHE A 63 5.136 -6.926 -1.750 1.00 0.00 C ATOM 529 CE1 PHE A 63 5.842 -7.074 0.957 1.00 0.00 C ATOM 530 CE2 PHE A 63 4.203 -6.584 -0.764 1.00 0.00 C ATOM 531 CZ PHE A 63 4.553 -6.659 0.590 1.00 0.00 C ATOM 0 H PHE A 63 9.007 -6.129 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 63 9.241 -6.993 -3.386 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.912 -7.771 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.801 -8.731 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.770 -7.725 0.252 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.862 -6.871 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 63 6.114 -7.134 2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.212 -6.262 -1.048 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.832 -6.398 1.350 1.00 0.00 H new ATOM 541 N SER A 64 8.191 -4.849 -4.012 1.00 0.00 N ATOM 542 CA SER A 64 7.775 -3.451 -4.319 1.00 0.00 C ATOM 543 C SER A 64 6.346 -3.407 -4.855 1.00 0.00 C ATOM 544 O SER A 64 6.001 -4.103 -5.795 1.00 0.00 O ATOM 545 CB SER A 64 8.764 -2.974 -5.380 1.00 0.00 C ATOM 546 OG SER A 64 8.956 -4.002 -6.342 1.00 0.00 O ATOM 0 H SER A 64 8.515 -5.389 -4.815 1.00 0.00 H new ATOM 0 HA SER A 64 7.785 -2.820 -3.430 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.388 -2.073 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.715 -2.713 -4.916 1.00 0.00 H new ATOM 0 HG SER A 64 8.092 -4.410 -6.562 1.00 0.00 H new ATOM 552 N LEU A 65 5.520 -2.580 -4.263 1.00 0.00 N ATOM 553 CA LEU A 65 4.104 -2.453 -4.721 1.00 0.00 C ATOM 554 C LEU A 65 3.931 -1.166 -5.531 1.00 0.00 C ATOM 555 O LEU A 65 4.316 -0.093 -5.093 1.00 0.00 O ATOM 556 CB LEU A 65 3.272 -2.392 -3.438 1.00 0.00 C ATOM 557 CG LEU A 65 3.456 -3.684 -2.639 1.00 0.00 C ATOM 558 CD1 LEU A 65 2.910 -3.491 -1.221 1.00 0.00 C ATOM 559 CD2 LEU A 65 2.696 -4.820 -3.327 1.00 0.00 C ATOM 0 H LEU A 65 5.770 -1.983 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 65 3.801 -3.281 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.576 -1.535 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.219 -2.252 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 65 4.516 -3.932 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.041 -4.412 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.450 -2.681 -0.730 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.850 -3.243 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.826 -5.741 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.636 -4.571 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.084 -4.958 -4.336 1.00 0.00 H new ATOM 654 N SER A 71 -8.616 2.330 0.381 1.00 0.00 N ATOM 655 CA SER A 71 -10.068 2.692 0.422 1.00 0.00 C ATOM 656 C SER A 71 -10.406 3.364 1.758 1.00 0.00 C ATOM 657 O SER A 71 -10.488 4.579 1.831 1.00 0.00 O ATOM 658 CB SER A 71 -10.815 1.367 0.262 1.00 0.00 C ATOM 659 OG SER A 71 -12.185 1.556 0.586 1.00 0.00 O ATOM 0 HA SER A 71 -10.344 3.400 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 71 -10.719 1.004 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 71 -10.377 0.609 0.912 1.00 0.00 H new ATOM 0 HG SER A 71 -12.393 1.083 1.419 1.00 0.00 H new ATOM 665 N LEU A 72 -10.587 2.593 2.811 1.00 0.00 N ATOM 666 CA LEU A 72 -10.903 3.193 4.140 1.00 0.00 C ATOM 667 C LEU A 72 -9.763 2.895 5.113 1.00 0.00 C ATOM 668 O LEU A 72 -9.566 1.764 5.500 1.00 0.00 O ATOM 669 CB LEU A 72 -12.206 2.516 4.585 1.00 0.00 C ATOM 670 CG LEU A 72 -12.629 3.040 5.959 1.00 0.00 C ATOM 671 CD1 LEU A 72 -14.147 2.925 6.107 1.00 0.00 C ATOM 672 CD2 LEU A 72 -11.946 2.214 7.052 1.00 0.00 C ATOM 0 H LEU A 72 -10.528 1.575 2.800 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.016 4.276 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.993 2.709 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.068 1.436 4.626 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.334 4.085 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.446 3.299 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.634 3.514 5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.444 1.881 6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.247 2.587 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.240 1.169 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.864 2.298 6.949 1.00 0.00 H new ATOM 684 N HIS A 73 -9.015 3.905 5.499 1.00 0.00 N ATOM 685 CA HIS A 73 -7.871 3.690 6.435 1.00 0.00 C ATOM 686 C HIS A 73 -8.212 4.200 7.836 1.00 0.00 C ATOM 687 O HIS A 73 -8.448 5.375 8.050 1.00 0.00 O ATOM 688 CB HIS A 73 -6.694 4.471 5.825 1.00 0.00 C ATOM 689 CG HIS A 73 -7.018 5.942 5.721 1.00 0.00 C ATOM 690 ND1 HIS A 73 -7.668 6.485 4.622 1.00 0.00 N ATOM 691 CD2 HIS A 73 -6.774 6.995 6.568 1.00 0.00 C ATOM 692 CE1 HIS A 73 -7.791 7.807 4.837 1.00 0.00 C ATOM 693 NE2 HIS A 73 -7.264 8.172 6.008 1.00 0.00 N ATOM 0 H HIS A 73 -9.152 4.871 5.202 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.631 2.633 6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.804 4.333 6.439 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.463 4.075 4.836 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.277 6.921 7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.260 8.491 4.145 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.228 9.110 6.406 1.00 0.00 H new ATOM 701 N ALA A 74 -8.240 3.298 8.788 1.00 0.00 N ATOM 702 CA ALA A 74 -8.566 3.674 10.191 1.00 0.00 C ATOM 703 C ALA A 74 -7.336 3.500 11.087 1.00 0.00 C ATOM 704 O ALA A 74 -6.632 2.500 11.017 1.00 0.00 O ATOM 705 CB ALA A 74 -9.675 2.710 10.611 1.00 0.00 C ATOM 0 H ALA A 74 -8.048 2.306 8.646 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.876 4.716 10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.972 2.923 11.638 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.534 2.834 9.951 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.311 1.685 10.544 1.00 0.00 H new ATOM 711 N VAL A 75 -7.083 4.474 11.925 1.00 0.00 N ATOM 712 CA VAL A 75 -5.910 4.404 12.846 1.00 0.00 C ATOM 713 C VAL A 75 -6.371 3.956 14.240 1.00 0.00 C ATOM 714 O VAL A 75 -5.914 2.955 14.760 1.00 0.00 O ATOM 715 CB VAL A 75 -5.350 5.835 12.886 1.00 0.00 C ATOM 716 CG1 VAL A 75 -4.137 5.895 13.819 1.00 0.00 C ATOM 717 CG2 VAL A 75 -4.917 6.259 11.478 1.00 0.00 C ATOM 0 H VAL A 75 -7.644 5.321 12.010 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.157 3.688 12.515 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.126 6.507 13.252 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.746 6.912 13.842 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.436 5.598 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.365 5.217 13.456 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.520 7.274 11.509 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.146 5.579 11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.776 6.226 10.808 1.00 0.00 H new ATOM 876 N GLU A 85 -1.404 2.065 18.763 1.00 0.00 N ATOM 877 CA GLU A 85 -1.588 2.749 17.440 1.00 0.00 C ATOM 878 C GLU A 85 -1.486 1.733 16.298 1.00 0.00 C ATOM 879 O GLU A 85 -0.455 1.122 16.086 1.00 0.00 O ATOM 880 CB GLU A 85 -0.461 3.781 17.349 1.00 0.00 C ATOM 881 CG GLU A 85 -0.828 5.012 18.189 1.00 0.00 C ATOM 882 CD GLU A 85 -0.435 4.779 19.650 1.00 0.00 C ATOM 883 OE1 GLU A 85 0.550 4.096 19.880 1.00 0.00 O ATOM 884 OE2 GLU A 85 -1.128 5.288 20.516 1.00 0.00 O ATOM 0 HA GLU A 85 -2.568 3.220 17.359 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.473 3.348 17.707 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.301 4.070 16.310 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.317 5.893 17.802 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.898 5.207 18.117 1.00 0.00 H new ATOM 891 N HIS A 86 -2.561 1.549 15.573 1.00 0.00 N ATOM 892 CA HIS A 86 -2.576 0.568 14.441 1.00 0.00 C ATOM 893 C HIS A 86 -3.175 1.224 13.194 1.00 0.00 C ATOM 894 O HIS A 86 -4.173 1.916 13.317 1.00 0.00 O ATOM 895 CB HIS A 86 -3.519 -0.547 14.921 1.00 0.00 C ATOM 896 CG HIS A 86 -2.983 -1.196 16.172 1.00 0.00 C ATOM 897 ND1 HIS A 86 -1.646 -1.138 16.525 1.00 0.00 N ATOM 898 CD2 HIS A 86 -3.598 -1.926 17.157 1.00 0.00 C ATOM 899 CE1 HIS A 86 -1.500 -1.816 17.678 1.00 0.00 C ATOM 900 NE2 HIS A 86 -2.661 -2.316 18.109 1.00 0.00 N ATOM 0 H HIS A 86 -3.441 2.043 15.719 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.579 0.209 14.187 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.509 -0.134 15.115 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -3.634 -1.296 14.137 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -0.906 -0.667 16.005 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.651 -2.163 17.189 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.559 -1.941 18.192 1.00 0.00 H new ATOM 908 N LEU A 87 -2.624 1.001 11.994 1.00 0.00 N ATOM 909 CA LEU A 87 -3.262 1.625 10.789 1.00 0.00 C ATOM 910 C LEU A 87 -3.654 0.530 9.811 1.00 0.00 C ATOM 911 O LEU A 87 -2.857 0.114 8.993 1.00 0.00 O ATOM 912 CB LEU A 87 -2.158 2.500 10.182 1.00 0.00 C ATOM 913 CG LEU A 87 -2.757 3.619 9.320 1.00 0.00 C ATOM 914 CD1 LEU A 87 -1.618 4.456 8.737 1.00 0.00 C ATOM 915 CD2 LEU A 87 -3.573 3.028 8.164 1.00 0.00 C ATOM 0 H LEU A 87 -1.794 0.435 11.817 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.159 2.197 11.027 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.553 2.933 10.978 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.493 1.885 9.576 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.410 4.233 9.940 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.032 5.255 8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.032 4.889 9.548 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.977 3.822 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.990 3.836 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.927 2.409 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.383 2.418 8.565 1.00 0.00 H new ATOM 927 N TYR A 88 -4.900 0.120 9.822 1.00 0.00 N ATOM 928 CA TYR A 88 -5.340 -0.917 8.832 1.00 0.00 C ATOM 929 C TYR A 88 -6.282 -0.284 7.850 1.00 0.00 C ATOM 930 O TYR A 88 -7.156 0.474 8.245 1.00 0.00 O ATOM 931 CB TYR A 88 -6.000 -2.092 9.575 1.00 0.00 C ATOM 932 CG TYR A 88 -7.169 -1.644 10.405 1.00 0.00 C ATOM 933 CD1 TYR A 88 -6.924 -1.119 11.659 1.00 0.00 C ATOM 934 CD2 TYR A 88 -8.484 -1.778 9.941 1.00 0.00 C ATOM 935 CE1 TYR A 88 -7.965 -0.709 12.477 1.00 0.00 C ATOM 936 CE2 TYR A 88 -9.548 -1.366 10.756 1.00 0.00 C ATOM 937 CZ TYR A 88 -9.288 -0.829 12.028 1.00 0.00 C ATOM 938 OH TYR A 88 -10.331 -0.423 12.834 1.00 0.00 O ATOM 0 H TYR A 88 -5.622 0.451 10.462 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.484 -1.309 8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.332 -2.838 8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.263 -2.576 10.217 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.906 -1.027 12.007 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.677 -2.195 8.964 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -7.758 -0.299 13.455 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.565 -1.461 10.407 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.181 -0.575 12.370 1.00 0.00 H new ATOM 948 N VAL A 89 -6.112 -0.555 6.571 1.00 0.00 N ATOM 949 CA VAL A 89 -7.017 0.082 5.566 1.00 0.00 C ATOM 950 C VAL A 89 -7.880 -0.973 4.867 1.00 0.00 C ATOM 951 O VAL A 89 -7.408 -1.958 4.324 1.00 0.00 O ATOM 952 CB VAL A 89 -6.143 0.950 4.606 1.00 0.00 C ATOM 953 CG1 VAL A 89 -5.169 1.825 5.442 1.00 0.00 C ATOM 954 CG2 VAL A 89 -5.305 0.083 3.655 1.00 0.00 C ATOM 0 H VAL A 89 -5.399 -1.178 6.191 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.735 0.749 6.042 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.821 1.566 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.559 2.431 4.773 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.741 2.477 6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.523 1.181 6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.712 0.726 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.641 -0.557 4.236 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.967 -0.536 3.049 1.00 0.00 H new ATOM 964 N MET A 90 -9.168 -0.800 4.974 1.00 0.00 N ATOM 965 CA MET A 90 -10.125 -1.796 4.417 1.00 0.00 C ATOM 966 C MET A 90 -10.607 -1.368 3.029 1.00 0.00 C ATOM 967 O MET A 90 -11.093 -0.267 2.847 1.00 0.00 O ATOM 968 CB MET A 90 -11.258 -1.814 5.449 1.00 0.00 C ATOM 969 CG MET A 90 -10.710 -2.340 6.793 1.00 0.00 C ATOM 970 SD MET A 90 -12.093 -2.670 7.916 1.00 0.00 S ATOM 971 CE MET A 90 -12.777 -4.088 7.022 1.00 0.00 C ATOM 0 H MET A 90 -9.604 0.001 5.431 1.00 0.00 H new ATOM 0 HA MET A 90 -9.691 -2.785 4.269 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.666 -0.811 5.576 1.00 0.00 H new ATOM 0 HB3 MET A 90 -12.073 -2.449 5.101 1.00 0.00 H new ATOM 0 HG2 MET A 90 -10.132 -3.250 6.632 1.00 0.00 H new ATOM 0 HG3 MET A 90 -10.034 -1.608 7.235 1.00 0.00 H new ATOM 0 HE1 MET A 90 -13.823 -3.897 6.783 1.00 0.00 H new ATOM 0 HE2 MET A 90 -12.216 -4.242 6.100 1.00 0.00 H new ATOM 0 HE3 MET A 90 -12.704 -4.980 7.644 1.00 0.00 H new ATOM 981 N VAL A 91 -10.457 -2.235 2.047 1.00 0.00 N ATOM 982 CA VAL A 91 -10.883 -1.884 0.655 1.00 0.00 C ATOM 983 C VAL A 91 -11.644 -3.044 -0.002 1.00 0.00 C ATOM 984 O VAL A 91 -11.392 -4.205 0.268 1.00 0.00 O ATOM 985 CB VAL A 91 -9.569 -1.587 -0.090 1.00 0.00 C ATOM 986 CG1 VAL A 91 -8.665 -2.824 -0.086 1.00 0.00 C ATOM 987 CG2 VAL A 91 -9.873 -1.186 -1.538 1.00 0.00 C ATOM 0 H VAL A 91 -10.058 -3.168 2.154 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.567 -1.035 0.636 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.058 -0.769 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.739 -2.600 -0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.436 -3.104 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.176 -3.650 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.940 -0.977 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.395 -2.001 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -10.500 -0.295 -1.545 1.00 0.00 H new ATOM 997 N ASN A 92 -12.567 -2.720 -0.878 1.00 0.00 N ATOM 998 CA ASN A 92 -13.355 -3.778 -1.584 1.00 0.00 C ATOM 999 C ASN A 92 -12.852 -3.935 -3.024 1.00 0.00 C ATOM 1000 O ASN A 92 -12.849 -2.989 -3.791 1.00 0.00 O ATOM 1001 CB ASN A 92 -14.811 -3.289 -1.559 1.00 0.00 C ATOM 1002 CG ASN A 92 -14.928 -1.924 -2.252 1.00 0.00 C ATOM 1003 OD1 ASN A 92 -15.040 -1.853 -3.459 1.00 0.00 O ATOM 1004 ND2 ASN A 92 -14.906 -0.835 -1.533 1.00 0.00 N ATOM 0 H ASN A 92 -12.808 -1.763 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.257 -4.753 -1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.454 -4.014 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.158 -3.212 -0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -14.983 0.076 -1.985 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.812 -0.895 -0.519 1.00 0.00 H new ATOM 1011 N ALA A 93 -12.427 -5.123 -3.387 1.00 0.00 N ATOM 1012 CA ALA A 93 -11.917 -5.358 -4.774 1.00 0.00 C ATOM 1013 C ALA A 93 -12.580 -6.594 -5.385 1.00 0.00 C ATOM 1014 O ALA A 93 -13.012 -7.490 -4.680 1.00 0.00 O ATOM 1015 CB ALA A 93 -10.413 -5.585 -4.608 1.00 0.00 C ATOM 0 H ALA A 93 -12.412 -5.942 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.135 -4.522 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.962 -5.765 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.960 -4.703 -4.156 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.244 -6.449 -3.965 1.00 0.00 H new ATOM 1320 N PRO A 115 -15.452 -11.023 -1.086 1.00 0.00 N ATOM 1321 CA PRO A 115 -15.663 -9.967 -2.110 1.00 0.00 C ATOM 1322 C PRO A 115 -14.823 -8.731 -1.776 1.00 0.00 C ATOM 1323 O PRO A 115 -14.407 -7.998 -2.656 1.00 0.00 O ATOM 1324 CB PRO A 115 -17.154 -9.656 -2.014 1.00 0.00 C ATOM 1325 CG PRO A 115 -17.541 -10.046 -0.625 1.00 0.00 C ATOM 1326 CD PRO A 115 -16.639 -11.179 -0.218 1.00 0.00 C ATOM 0 HA PRO A 115 -15.367 -10.277 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.349 -8.599 -2.196 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -17.723 -10.218 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -17.432 -9.203 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -18.586 -10.353 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -16.372 -11.117 0.837 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -17.120 -12.146 -0.369 1.00 0.00 H new ATOM 1334 N ILE A 116 -14.578 -8.499 -0.509 1.00 0.00 N ATOM 1335 CA ILE A 116 -13.765 -7.313 -0.090 1.00 0.00 C ATOM 1336 C ILE A 116 -12.480 -7.789 0.592 1.00 0.00 C ATOM 1337 O ILE A 116 -12.486 -8.763 1.324 1.00 0.00 O ATOM 1338 CB ILE A 116 -14.653 -6.542 0.898 1.00 0.00 C ATOM 1339 CG1 ILE A 116 -15.952 -6.118 0.203 1.00 0.00 C ATOM 1340 CG2 ILE A 116 -13.924 -5.286 1.391 1.00 0.00 C ATOM 1341 CD1 ILE A 116 -16.911 -5.523 1.234 1.00 0.00 C ATOM 0 H ILE A 116 -14.908 -9.084 0.258 1.00 0.00 H new ATOM 0 HA ILE A 116 -13.472 -6.687 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 116 -14.878 -7.190 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -15.738 -5.386 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -16.413 -6.977 -0.285 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -14.562 -4.746 2.091 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -12.999 -5.575 1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -13.692 -4.643 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -17.835 -5.221 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -17.134 -6.269 1.997 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -16.449 -4.653 1.701 1.00 0.00 H new ATOM 1353 N ALA A 117 -11.382 -7.106 0.357 1.00 0.00 N ATOM 1354 CA ALA A 117 -10.090 -7.505 0.986 1.00 0.00 C ATOM 1355 C ALA A 117 -9.690 -6.479 2.041 1.00 0.00 C ATOM 1356 O ALA A 117 -9.744 -5.279 1.793 1.00 0.00 O ATOM 1357 CB ALA A 117 -9.083 -7.512 -0.163 1.00 0.00 C ATOM 0 H ALA A 117 -11.330 -6.286 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 117 -10.147 -8.473 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.101 -7.797 0.215 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.401 -8.227 -0.921 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -9.027 -6.517 -0.604 1.00 0.00 H new ATOM 1363 N GLU A 118 -9.287 -6.932 3.210 1.00 0.00 N ATOM 1364 CA GLU A 118 -8.880 -5.961 4.275 1.00 0.00 C ATOM 1365 C GLU A 118 -7.359 -5.863 4.347 1.00 0.00 C ATOM 1366 O GLU A 118 -6.697 -6.786 4.769 1.00 0.00 O ATOM 1367 CB GLU A 118 -9.443 -6.506 5.591 1.00 0.00 C ATOM 1368 CG GLU A 118 -10.968 -6.603 5.501 1.00 0.00 C ATOM 1369 CD GLU A 118 -11.367 -7.939 4.871 1.00 0.00 C ATOM 1370 OE1 GLU A 118 -10.665 -8.912 5.097 1.00 0.00 O ATOM 1371 OE2 GLU A 118 -12.366 -7.968 4.173 1.00 0.00 O ATOM 0 H GLU A 118 -9.224 -7.917 3.467 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.260 -4.961 4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.019 -7.488 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.159 -5.854 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.406 -6.514 6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.359 -5.778 4.905 1.00 0.00 H new ATOM 1378 N PHE A 119 -6.808 -4.736 3.972 1.00 0.00 N ATOM 1379 CA PHE A 119 -5.326 -4.562 4.048 1.00 0.00 C ATOM 1380 C PHE A 119 -5.056 -3.960 5.414 1.00 0.00 C ATOM 1381 O PHE A 119 -5.640 -2.955 5.761 1.00 0.00 O ATOM 1382 CB PHE A 119 -5.012 -3.585 2.895 1.00 0.00 C ATOM 1383 CG PHE A 119 -3.601 -3.011 2.971 1.00 0.00 C ATOM 1384 CD1 PHE A 119 -3.272 -2.065 3.952 1.00 0.00 C ATOM 1385 CD2 PHE A 119 -2.643 -3.377 2.016 1.00 0.00 C ATOM 1386 CE1 PHE A 119 -2.004 -1.490 3.984 1.00 0.00 C ATOM 1387 CE2 PHE A 119 -1.360 -2.807 2.057 1.00 0.00 C ATOM 1388 CZ PHE A 119 -1.043 -1.860 3.041 1.00 0.00 C ATOM 0 H PHE A 119 -7.321 -3.929 3.617 1.00 0.00 H new ATOM 0 HA PHE A 119 -4.723 -5.464 3.947 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.138 -4.101 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.733 -2.767 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.008 -1.780 4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -2.891 -4.096 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -1.764 -0.757 4.739 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.617 -3.099 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.058 -1.418 3.070 1.00 0.00 H new ATOM 1398 N ARG A 120 -4.202 -4.576 6.201 1.00 0.00 N ATOM 1399 CA ARG A 120 -3.926 -4.035 7.561 1.00 0.00 C ATOM 1400 C ARG A 120 -2.418 -3.918 7.777 1.00 0.00 C ATOM 1401 O ARG A 120 -1.693 -4.892 7.698 1.00 0.00 O ATOM 1402 CB ARG A 120 -4.610 -5.050 8.507 1.00 0.00 C ATOM 1403 CG ARG A 120 -4.172 -4.856 9.975 1.00 0.00 C ATOM 1404 CD ARG A 120 -5.374 -5.043 10.908 1.00 0.00 C ATOM 1405 NE ARG A 120 -4.850 -4.759 12.273 1.00 0.00 N ATOM 1406 CZ ARG A 120 -5.037 -5.620 13.236 1.00 0.00 C ATOM 1407 NH1 ARG A 120 -6.199 -5.694 13.827 1.00 0.00 N ATOM 1408 NH2 ARG A 120 -4.064 -6.405 13.609 1.00 0.00 N ATOM 0 H ARG A 120 -3.690 -5.424 5.957 1.00 0.00 H new ATOM 0 HA ARG A 120 -4.310 -3.029 7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -5.692 -4.942 8.434 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -4.369 -6.064 8.187 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -3.390 -5.572 10.228 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -3.748 -3.861 10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -6.185 -4.363 10.647 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -5.772 -6.055 10.841 1.00 0.00 H new ATOM 0 HE ARG A 120 -4.345 -3.892 12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.959 -5.079 13.536 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.346 -6.366 14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.156 -6.346 13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -4.211 -7.077 14.362 1.00 0.00 H new ATOM 1422 N PHE A 121 -1.939 -2.720 8.037 1.00 0.00 N ATOM 1423 CA PHE A 121 -0.486 -2.529 8.267 1.00 0.00 C ATOM 1424 C PHE A 121 -0.330 -1.821 9.605 1.00 0.00 C ATOM 1425 O PHE A 121 -0.732 -0.679 9.800 1.00 0.00 O ATOM 1426 CB PHE A 121 0.038 -1.754 7.047 1.00 0.00 C ATOM 1427 CG PHE A 121 0.473 -2.767 5.981 1.00 0.00 C ATOM 1428 CD1 PHE A 121 -0.470 -3.614 5.367 1.00 0.00 C ATOM 1429 CD2 PHE A 121 1.823 -2.893 5.636 1.00 0.00 C ATOM 1430 CE1 PHE A 121 -0.071 -4.561 4.424 1.00 0.00 C ATOM 1431 CE2 PHE A 121 2.210 -3.845 4.675 1.00 0.00 C ATOM 1432 CZ PHE A 121 1.267 -4.673 4.077 1.00 0.00 C ATOM 0 H PHE A 121 -2.501 -1.871 8.098 1.00 0.00 H new ATOM 0 HA PHE A 121 0.099 -3.446 8.343 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -0.738 -1.098 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 121 0.877 -1.120 7.332 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -1.514 -3.529 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 121 2.564 -2.263 6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -0.804 -5.207 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 121 3.250 -3.933 4.399 1.00 0.00 H new ATOM 0 HZ PHE A 121 1.576 -5.403 3.343 1.00 0.00 H new ATOM 1442 N VAL A 122 0.168 -2.546 10.570 1.00 0.00 N ATOM 1443 CA VAL A 122 0.232 -1.980 11.945 1.00 0.00 C ATOM 1444 C VAL A 122 1.671 -1.682 12.408 1.00 0.00 C ATOM 1445 O VAL A 122 2.477 -2.586 12.470 1.00 0.00 O ATOM 1446 CB VAL A 122 -0.458 -3.038 12.833 1.00 0.00 C ATOM 1447 CG1 VAL A 122 -0.666 -2.438 14.196 1.00 0.00 C ATOM 1448 CG2 VAL A 122 -1.844 -3.452 12.282 1.00 0.00 C ATOM 0 H VAL A 122 0.529 -3.494 10.467 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.262 -1.010 11.999 1.00 0.00 H new ATOM 0 HB VAL A 122 0.178 -3.923 12.860 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.153 -3.167 14.844 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.298 -2.160 14.622 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.294 -1.551 14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -2.289 -4.198 12.941 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.492 -2.577 12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.728 -3.873 11.283 1.00 0.00 H new ATOM 1458 N PRO A 123 1.973 -0.425 12.721 1.00 0.00 N ATOM 1459 CA PRO A 123 3.337 -0.074 13.159 1.00 0.00 C ATOM 1460 C PRO A 123 3.477 -0.194 14.677 1.00 0.00 C ATOM 1461 O PRO A 123 3.043 0.674 15.415 1.00 0.00 O ATOM 1462 CB PRO A 123 3.477 1.382 12.728 1.00 0.00 C ATOM 1463 CG PRO A 123 2.079 1.931 12.667 1.00 0.00 C ATOM 1464 CD PRO A 123 1.112 0.768 12.692 1.00 0.00 C ATOM 0 HA PRO A 123 4.098 -0.729 12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.086 1.942 13.438 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.968 1.456 11.758 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.895 2.596 13.511 1.00 0.00 H new ATOM 0 HG3 PRO A 123 1.941 2.520 11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.462 0.810 13.566 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.466 0.770 11.814 1.00 0.00 H new ATOM 1472 N SER A 124 4.094 -1.254 15.142 1.00 0.00 N ATOM 1473 CA SER A 124 4.290 -1.432 16.619 1.00 0.00 C ATOM 1474 C SER A 124 5.130 -0.271 17.174 1.00 0.00 C ATOM 1475 O SER A 124 5.006 0.096 18.328 1.00 0.00 O ATOM 1476 CB SER A 124 5.037 -2.758 16.781 1.00 0.00 C ATOM 1477 OG SER A 124 5.142 -3.072 18.165 1.00 0.00 O ATOM 0 H SER A 124 4.471 -2.005 14.564 1.00 0.00 H new ATOM 0 HA SER A 124 3.344 -1.440 17.160 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.509 -3.553 16.255 1.00 0.00 H new ATOM 0 HB3 SER A 124 6.030 -2.686 16.336 1.00 0.00 H new ATOM 0 HG SER A 124 5.619 -3.922 18.272 1.00 0.00 H new ATOM 1483 N ASP A 125 5.982 0.302 16.354 1.00 0.00 N ATOM 1484 CA ASP A 125 6.840 1.440 16.809 1.00 0.00 C ATOM 1485 C ASP A 125 6.086 2.762 16.703 1.00 0.00 C ATOM 1486 O ASP A 125 5.595 3.122 15.649 1.00 0.00 O ATOM 1487 CB ASP A 125 8.044 1.431 15.860 1.00 0.00 C ATOM 1488 CG ASP A 125 9.319 1.825 16.618 1.00 0.00 C ATOM 1489 OD1 ASP A 125 9.389 1.569 17.809 1.00 0.00 O ATOM 1490 OD2 ASP A 125 10.208 2.373 15.987 1.00 0.00 O ATOM 0 H ASP A 125 6.119 0.026 15.382 1.00 0.00 H new ATOM 0 HA ASP A 125 7.137 1.335 17.853 1.00 0.00 H new ATOM 0 HB2 ASP A 125 8.164 0.440 15.422 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.873 2.124 15.037 1.00 0.00 H new ATOM 1495 N LYS A 126 6.010 3.502 17.792 1.00 0.00 N ATOM 1496 CA LYS A 126 5.308 4.832 17.763 1.00 0.00 C ATOM 1497 C LYS A 126 5.976 5.734 16.715 1.00 0.00 C ATOM 1498 O LYS A 126 5.328 6.518 16.042 1.00 0.00 O ATOM 1499 CB LYS A 126 5.456 5.417 19.180 1.00 0.00 C ATOM 1500 CG LYS A 126 6.939 5.601 19.539 1.00 0.00 C ATOM 1501 CD LYS A 126 7.053 6.192 20.947 1.00 0.00 C ATOM 1502 CE LYS A 126 6.784 5.096 21.981 1.00 0.00 C ATOM 1503 NZ LYS A 126 7.407 5.594 23.241 1.00 0.00 N ATOM 0 H LYS A 126 6.403 3.242 18.697 1.00 0.00 H new ATOM 0 HA LYS A 126 4.256 4.744 17.492 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.941 6.376 19.239 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.981 4.755 19.904 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.457 4.643 19.492 1.00 0.00 H new ATOM 0 HG3 LYS A 126 7.420 6.260 18.816 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.047 6.613 21.097 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.340 7.007 21.070 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.715 4.928 22.109 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.221 4.146 21.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 7.264 4.896 23.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 8.426 5.739 23.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.966 6.496 23.514 1.00 0.00 H new ATOM 1517 N SER A 127 7.272 5.583 16.564 1.00 0.00 N ATOM 1518 CA SER A 127 8.011 6.381 15.546 1.00 0.00 C ATOM 1519 C SER A 127 7.585 5.914 14.152 1.00 0.00 C ATOM 1520 O SER A 127 7.552 6.693 13.211 1.00 0.00 O ATOM 1521 CB SER A 127 9.496 6.088 15.782 1.00 0.00 C ATOM 1522 OG SER A 127 9.777 4.752 15.394 1.00 0.00 O ATOM 0 H SER A 127 7.847 4.938 17.106 1.00 0.00 H new ATOM 0 HA SER A 127 7.809 7.449 15.622 1.00 0.00 H new ATOM 0 HB2 SER A 127 10.111 6.782 15.210 1.00 0.00 H new ATOM 0 HB3 SER A 127 9.745 6.234 16.833 1.00 0.00 H new ATOM 0 HG SER A 127 9.924 4.203 16.193 1.00 0.00 H new ATOM 1528 N ALA A 128 7.244 4.644 14.018 1.00 0.00 N ATOM 1529 CA ALA A 128 6.803 4.128 12.682 1.00 0.00 C ATOM 1530 C ALA A 128 5.423 4.699 12.340 1.00 0.00 C ATOM 1531 O ALA A 128 5.150 5.045 11.202 1.00 0.00 O ATOM 1532 CB ALA A 128 6.737 2.606 12.822 1.00 0.00 C ATOM 0 H ALA A 128 7.254 3.955 14.770 1.00 0.00 H new ATOM 0 HA ALA A 128 7.485 4.420 11.884 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.420 2.167 11.876 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.722 2.222 13.088 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.022 2.343 13.602 1.00 0.00 H new ATOM 1538 N LEU A 129 4.554 4.797 13.323 1.00 0.00 N ATOM 1539 CA LEU A 129 3.183 5.343 13.069 1.00 0.00 C ATOM 1540 C LEU A 129 3.254 6.827 12.697 1.00 0.00 C ATOM 1541 O LEU A 129 2.622 7.254 11.745 1.00 0.00 O ATOM 1542 CB LEU A 129 2.411 5.160 14.380 1.00 0.00 C ATOM 1543 CG LEU A 129 0.958 5.610 14.188 1.00 0.00 C ATOM 1544 CD1 LEU A 129 0.078 4.394 13.873 1.00 0.00 C ATOM 1545 CD2 LEU A 129 0.458 6.285 15.468 1.00 0.00 C ATOM 0 H LEU A 129 4.737 4.522 14.288 1.00 0.00 H new ATOM 0 HA LEU A 129 2.697 4.829 12.240 1.00 0.00 H new ATOM 0 HB2 LEU A 129 2.441 4.115 14.689 1.00 0.00 H new ATOM 0 HB3 LEU A 129 2.880 5.741 15.174 1.00 0.00 H new ATOM 0 HG LEU A 129 0.906 6.317 13.360 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.954 4.717 13.737 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.432 3.916 12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 129 0.130 3.684 14.698 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.575 6.605 15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.513 5.579 16.297 1.00 0.00 H new ATOM 0 HD23 LEU A 129 1.080 7.152 15.689 1.00 0.00 H new ATOM 1557 N GLU A 130 4.018 7.614 13.434 1.00 0.00 N ATOM 1558 CA GLU A 130 4.121 9.071 13.108 1.00 0.00 C ATOM 1559 C GLU A 130 4.739 9.240 11.717 1.00 0.00 C ATOM 1560 O GLU A 130 4.377 10.141 10.978 1.00 0.00 O ATOM 1561 CB GLU A 130 4.998 9.695 14.202 1.00 0.00 C ATOM 1562 CG GLU A 130 6.391 9.066 14.207 1.00 0.00 C ATOM 1563 CD GLU A 130 7.285 9.823 15.191 1.00 0.00 C ATOM 1564 OE1 GLU A 130 6.889 9.956 16.338 1.00 0.00 O ATOM 1565 OE2 GLU A 130 8.350 10.257 14.782 1.00 0.00 O ATOM 0 H GLU A 130 4.567 7.308 14.238 1.00 0.00 H new ATOM 0 HA GLU A 130 3.148 9.561 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 130 5.080 10.770 14.039 1.00 0.00 H new ATOM 0 HB3 GLU A 130 4.528 9.555 15.175 1.00 0.00 H new ATOM 0 HG2 GLU A 130 6.327 8.015 14.490 1.00 0.00 H new ATOM 0 HG3 GLU A 130 6.822 9.101 13.206 1.00 0.00 H new ATOM 1572 N ALA A 131 5.641 8.355 11.347 1.00 0.00 N ATOM 1573 CA ALA A 131 6.261 8.436 9.986 1.00 0.00 C ATOM 1574 C ALA A 131 5.171 8.190 8.942 1.00 0.00 C ATOM 1575 O ALA A 131 5.067 8.896 7.952 1.00 0.00 O ATOM 1576 CB ALA A 131 7.316 7.328 9.940 1.00 0.00 C ATOM 0 H ALA A 131 5.971 7.585 11.928 1.00 0.00 H new ATOM 0 HA ALA A 131 6.713 9.407 9.783 1.00 0.00 H new ATOM 0 HB1 ALA A 131 7.808 7.334 8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 131 8.056 7.498 10.722 1.00 0.00 H new ATOM 0 HB3 ALA A 131 6.836 6.362 10.098 1.00 0.00 H new ATOM 1582 N MET A 132 4.340 7.200 9.183 1.00 0.00 N ATOM 1583 CA MET A 132 3.224 6.900 8.233 1.00 0.00 C ATOM 1584 C MET A 132 2.257 8.083 8.208 1.00 0.00 C ATOM 1585 O MET A 132 1.701 8.419 7.180 1.00 0.00 O ATOM 1586 CB MET A 132 2.530 5.648 8.782 1.00 0.00 C ATOM 1587 CG MET A 132 3.430 4.431 8.571 1.00 0.00 C ATOM 1588 SD MET A 132 2.533 2.928 9.031 1.00 0.00 S ATOM 1589 CE MET A 132 1.478 2.838 7.563 1.00 0.00 C ATOM 0 H MET A 132 4.389 6.588 9.998 1.00 0.00 H new ATOM 0 HA MET A 132 3.578 6.735 7.215 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.315 5.775 9.843 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.575 5.499 8.279 1.00 0.00 H new ATOM 0 HG2 MET A 132 3.745 4.375 7.529 1.00 0.00 H new ATOM 0 HG3 MET A 132 4.334 4.526 9.172 1.00 0.00 H new ATOM 0 HE1 MET A 132 0.602 2.227 7.781 1.00 0.00 H new ATOM 0 HE2 MET A 132 1.160 3.842 7.282 1.00 0.00 H new ATOM 0 HE3 MET A 132 2.036 2.391 6.741 1.00 0.00 H new ATOM 1599 N PHE A 133 2.065 8.716 9.341 1.00 0.00 N ATOM 1600 CA PHE A 133 1.140 9.894 9.412 1.00 0.00 C ATOM 1601 C PHE A 133 1.669 11.008 8.542 1.00 0.00 C ATOM 1602 O PHE A 133 0.915 11.673 7.861 1.00 0.00 O ATOM 1603 CB PHE A 133 1.090 10.287 10.904 1.00 0.00 C ATOM 1604 CG PHE A 133 0.247 9.302 11.742 1.00 0.00 C ATOM 1605 CD1 PHE A 133 -0.239 8.079 11.212 1.00 0.00 C ATOM 1606 CD2 PHE A 133 -0.037 9.625 13.076 1.00 0.00 C ATOM 1607 CE1 PHE A 133 -0.990 7.211 12.008 1.00 0.00 C ATOM 1608 CE2 PHE A 133 -0.793 8.753 13.869 1.00 0.00 C ATOM 1609 CZ PHE A 133 -1.268 7.549 13.337 1.00 0.00 C ATOM 0 H PHE A 133 2.511 8.467 10.224 1.00 0.00 H new ATOM 0 HA PHE A 133 0.138 9.672 9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 133 2.104 10.323 11.302 1.00 0.00 H new ATOM 0 HB3 PHE A 133 0.674 11.290 10.999 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -0.027 7.817 10.186 1.00 0.00 H new ATOM 0 HD2 PHE A 133 0.329 10.551 13.494 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -1.355 6.281 11.598 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -1.010 9.011 14.895 1.00 0.00 H new ATOM 0 HZ PHE A 133 -1.850 6.880 13.953 1.00 0.00 H new ATOM 1619 N THR A 134 2.967 11.187 8.527 1.00 0.00 N ATOM 1620 CA THR A 134 3.562 12.230 7.648 1.00 0.00 C ATOM 1621 C THR A 134 3.356 11.789 6.199 1.00 0.00 C ATOM 1622 O THR A 134 3.120 12.600 5.320 1.00 0.00 O ATOM 1623 CB THR A 134 5.051 12.285 8.002 1.00 0.00 C ATOM 1624 OG1 THR A 134 5.195 12.495 9.400 1.00 0.00 O ATOM 1625 CG2 THR A 134 5.717 13.433 7.242 1.00 0.00 C ATOM 0 H THR A 134 3.635 10.656 9.085 1.00 0.00 H new ATOM 0 HA THR A 134 3.111 13.214 7.778 1.00 0.00 H new ATOM 0 HB THR A 134 5.526 11.344 7.723 1.00 0.00 H new ATOM 0 HG1 THR A 134 5.066 11.647 9.873 1.00 0.00 H new ATOM 0 HG21 THR A 134 6.777 13.471 7.495 1.00 0.00 H new ATOM 0 HG22 THR A 134 5.606 13.272 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 134 5.244 14.375 7.519 1.00 0.00 H new ATOM 1633 N ALA A 135 3.420 10.494 5.955 1.00 0.00 N ATOM 1634 CA ALA A 135 3.201 9.976 4.567 1.00 0.00 C ATOM 1635 C ALA A 135 1.731 10.159 4.169 1.00 0.00 C ATOM 1636 O ALA A 135 1.422 10.639 3.094 1.00 0.00 O ATOM 1637 CB ALA A 135 3.564 8.491 4.619 1.00 0.00 C ATOM 0 H ALA A 135 3.614 9.780 6.657 1.00 0.00 H new ATOM 0 HA ALA A 135 3.804 10.507 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.426 8.048 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.605 8.381 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.920 7.984 5.338 1.00 0.00 H new ATOM 1643 N MET A 136 0.829 9.779 5.046 1.00 0.00 N ATOM 1644 CA MET A 136 -0.632 9.920 4.751 1.00 0.00 C ATOM 1645 C MET A 136 -1.038 11.393 4.791 1.00 0.00 C ATOM 1646 O MET A 136 -1.716 11.880 3.907 1.00 0.00 O ATOM 1647 CB MET A 136 -1.354 9.142 5.857 1.00 0.00 C ATOM 1648 CG MET A 136 -1.699 7.737 5.359 1.00 0.00 C ATOM 1649 SD MET A 136 -2.960 7.846 4.065 1.00 0.00 S ATOM 1650 CE MET A 136 -2.444 6.390 3.123 1.00 0.00 C ATOM 0 H MET A 136 1.045 9.375 5.957 1.00 0.00 H new ATOM 0 HA MET A 136 -0.883 9.540 3.760 1.00 0.00 H new ATOM 0 HB2 MET A 136 -0.722 9.079 6.743 1.00 0.00 H new ATOM 0 HB3 MET A 136 -2.263 9.667 6.151 1.00 0.00 H new ATOM 0 HG2 MET A 136 -0.806 7.248 4.970 1.00 0.00 H new ATOM 0 HG3 MET A 136 -2.063 7.126 6.185 1.00 0.00 H new ATOM 0 HE1 MET A 136 -3.099 6.264 2.261 1.00 0.00 H new ATOM 0 HE2 MET A 136 -1.417 6.522 2.783 1.00 0.00 H new ATOM 0 HE3 MET A 136 -2.505 5.506 3.757 1.00 0.00 H new ATOM 1660 N CYS A 137 -0.630 12.096 5.823 1.00 0.00 N ATOM 1661 CA CYS A 137 -0.992 13.549 5.942 1.00 0.00 C ATOM 1662 C CYS A 137 -0.453 14.332 4.740 1.00 0.00 C ATOM 1663 O CYS A 137 -1.149 15.152 4.167 1.00 0.00 O ATOM 1664 CB CYS A 137 -0.333 14.036 7.235 1.00 0.00 C ATOM 1665 SG CYS A 137 -0.956 15.685 7.645 1.00 0.00 S ATOM 0 H CYS A 137 -0.063 11.728 6.587 1.00 0.00 H new ATOM 0 HA CYS A 137 -2.072 13.695 5.962 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -0.546 13.342 8.048 1.00 0.00 H new ATOM 0 HB3 CYS A 137 0.750 14.064 7.116 1.00 0.00 H new ATOM 0 HG CYS A 137 -0.398 16.099 8.744 1.00 0.00 H new ATOM 1671 N GLU A 138 0.779 14.081 4.360 1.00 0.00 N ATOM 1672 CA GLU A 138 1.375 14.807 3.193 1.00 0.00 C ATOM 1673 C GLU A 138 0.703 14.362 1.901 1.00 0.00 C ATOM 1674 O GLU A 138 0.493 15.145 0.991 1.00 0.00 O ATOM 1675 CB GLU A 138 2.860 14.436 3.187 1.00 0.00 C ATOM 1676 CG GLU A 138 3.582 15.231 2.096 1.00 0.00 C ATOM 1677 CD GLU A 138 3.638 16.712 2.485 1.00 0.00 C ATOM 1678 OE1 GLU A 138 3.725 16.992 3.671 1.00 0.00 O ATOM 1679 OE2 GLU A 138 3.591 17.540 1.592 1.00 0.00 O ATOM 0 H GLU A 138 1.397 13.404 4.808 1.00 0.00 H new ATOM 0 HA GLU A 138 1.236 15.885 3.271 1.00 0.00 H new ATOM 0 HB2 GLU A 138 3.303 14.649 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.978 13.367 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.591 14.843 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.063 15.115 1.145 1.00 0.00 H new ATOM 1686 N CYS A 139 0.366 13.107 1.830 1.00 0.00 N ATOM 1687 CA CYS A 139 -0.307 12.562 0.607 1.00 0.00 C ATOM 1688 C CYS A 139 -1.739 13.090 0.518 1.00 0.00 C ATOM 1689 O CYS A 139 -2.223 13.419 -0.551 1.00 0.00 O ATOM 1690 CB CYS A 139 -0.305 11.042 0.783 1.00 0.00 C ATOM 1691 SG CYS A 139 1.262 10.365 0.184 1.00 0.00 S ATOM 0 H CYS A 139 0.527 12.424 2.571 1.00 0.00 H new ATOM 0 HA CYS A 139 0.203 12.860 -0.309 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -0.445 10.787 1.833 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -1.137 10.601 0.234 1.00 0.00 H new ATOM 0 HG CYS A 139 2.032 10.093 1.195 1.00 0.00 H new ATOM 1697 N GLN A 140 -2.417 13.175 1.640 1.00 0.00 N ATOM 1698 CA GLN A 140 -3.827 13.685 1.642 1.00 0.00 C ATOM 1699 C GLN A 140 -3.850 15.175 1.310 1.00 0.00 C ATOM 1700 O GLN A 140 -4.709 15.641 0.583 1.00 0.00 O ATOM 1701 CB GLN A 140 -4.349 13.450 3.063 1.00 0.00 C ATOM 1702 CG GLN A 140 -5.120 12.132 3.111 1.00 0.00 C ATOM 1703 CD GLN A 140 -5.731 11.947 4.489 1.00 0.00 C ATOM 1704 OE1 GLN A 140 -6.547 12.733 4.925 1.00 0.00 O ATOM 1705 NE2 GLN A 140 -5.362 10.921 5.198 1.00 0.00 N ATOM 0 H GLN A 140 -2.053 12.912 2.556 1.00 0.00 H new ATOM 0 HA GLN A 140 -4.441 13.178 0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.518 13.423 3.767 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -4.996 14.273 3.365 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -5.903 12.129 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -4.453 11.301 2.884 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -4.676 10.264 4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -5.759 10.773 6.126 1.00 0.00 H new ATOM 1714 N ALA A 141 -2.909 15.921 1.838 1.00 0.00 N ATOM 1715 CA ALA A 141 -2.863 17.391 1.561 1.00 0.00 C ATOM 1716 C ALA A 141 -2.449 17.641 0.110 1.00 0.00 C ATOM 1717 O ALA A 141 -2.968 18.525 -0.548 1.00 0.00 O ATOM 1718 CB ALA A 141 -1.817 17.961 2.524 1.00 0.00 C ATOM 0 H ALA A 141 -2.170 15.574 2.450 1.00 0.00 H new ATOM 0 HA ALA A 141 -3.836 17.862 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -1.733 19.037 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.121 17.761 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -0.852 17.491 2.333 1.00 0.00 H new ATOM 1724 N LEU A 142 -1.515 16.864 -0.391 1.00 0.00 N ATOM 1725 CA LEU A 142 -1.052 17.041 -1.802 1.00 0.00 C ATOM 1726 C LEU A 142 -2.060 16.425 -2.777 1.00 0.00 C ATOM 1727 O LEU A 142 -2.280 16.940 -3.859 1.00 0.00 O ATOM 1728 CB LEU A 142 0.286 16.310 -1.886 1.00 0.00 C ATOM 1729 CG LEU A 142 1.127 16.918 -3.022 1.00 0.00 C ATOM 1730 CD1 LEU A 142 2.585 17.006 -2.587 1.00 0.00 C ATOM 1731 CD2 LEU A 142 1.017 16.037 -4.270 1.00 0.00 C ATOM 0 H LEU A 142 -1.053 16.112 0.121 1.00 0.00 H new ATOM 0 HA LEU A 142 -0.956 18.094 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 142 0.819 16.393 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 142 0.122 15.248 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 142 0.757 17.917 -3.251 1.00 0.00 H new ATOM 0 HD11 LEU A 142 3.180 17.437 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 142 2.663 17.636 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 142 2.957 16.008 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 142 1.613 16.469 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 142 1.385 15.036 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -0.025 15.978 -4.583 1.00 0.00 H new