USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 706 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 50 GLN :FLIP amide:sc= -0.59 F(o=-6.2!,f=-1.7) USER MOD Set 1.2: A 90 HIS :FLIP no HE2:sc= -1.16 X(o=-1.9,f=-1.7) USER MOD Set 1.3: A 100 TYR OH : rot -70:sc= 0.0153 USER MOD Set 2.1: A 67 SER OG : rot 61:sc= 1.19 USER MOD Set 2.2: A 86 ASN :FLIP amide:sc= -4.04! C(o=-7.8!,f=-2.9!) USER MOD Set 3.1: A 21 THR OG1 : rot -66:sc= 0.694 USER MOD Set 3.2: A 31 THR OG1 : rot 176:sc= 0.612 USER MOD Set 4.1: A 7 THR OG1 : rot -47:sc= 0.981 USER MOD Set 4.2: A 93 ASN : amide:sc= -2.56 K(o=-1.6,f=-4.5!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.79) USER MOD Single : A 9 TYR OH : rot -30:sc= 1.28 USER MOD Single : A 10 ASN : amide:sc= -0.833 K(o=-0.83,f=-2.6!) USER MOD Single : A 11 SER OG : rot -160:sc= -1.25 USER MOD Single : A 14 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.25) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 20 SER OG : rot -20:sc= 0.77 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.358 USER MOD Single : A 26 ASN : amide:sc=-0.00992 K(o=-0.0099,f=-1.6) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.316 F(o=-1.3,f=-0.32) USER MOD Single : A 32 SER OG : rot 72:sc= -0.0512 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.01 F(o=-2.1!,f=-1) USER MOD Single : A 38 SER OG : rot 124:sc= 1.09 USER MOD Single : A 46 SER OG : rot 87:sc= 0.31 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 61 THR OG1 : rot -84:sc= -2.78! USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= -0.09 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -93:sc= 1.22 USER MOD Single : A 79 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -39:sc= -0.467 USER MOD Single : A 84 LYS NZ :NH3+ -120:sc= 1.05 (180deg=-0.16) USER MOD Single : A 97 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.886) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.757 -1.769 -11.418 1.00 0.00 N ATOM 23 CA GLY A 2 -3.706 -0.944 -10.230 1.00 0.00 C ATOM 24 C GLY A 2 -4.897 -0.019 -10.112 1.00 0.00 C ATOM 25 O GLY A 2 -6.045 -0.426 -10.287 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.660 -1.584 -9.349 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.791 -0.352 -10.242 1.00 0.00 H new ATOM 29 N LYS A 3 -4.600 1.241 -9.854 1.00 0.00 N ATOM 30 CA LYS A 3 -5.627 2.264 -9.753 1.00 0.00 C ATOM 31 C LYS A 3 -6.853 1.789 -8.964 1.00 0.00 C ATOM 32 O LYS A 3 -7.987 1.980 -9.402 1.00 0.00 O ATOM 33 CB LYS A 3 -6.035 2.663 -11.176 1.00 0.00 C ATOM 34 CG LYS A 3 -4.915 3.494 -11.849 1.00 0.00 C ATOM 35 CD LYS A 3 -5.061 4.981 -11.494 1.00 0.00 C ATOM 36 CE LYS A 3 -4.007 5.791 -12.249 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.135 7.230 -11.885 1.00 0.00 N ATOM 0 H LYS A 3 -3.650 1.583 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.221 3.116 -9.207 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.238 1.769 -11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.958 3.242 -11.147 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.940 3.131 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.959 3.366 -12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.060 5.332 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.943 5.123 -10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.009 5.429 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.135 5.663 -13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.419 7.783 -12.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.084 7.570 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.992 7.343 -10.861 1.00 0.00 H new ATOM 51 N PHE A 4 -6.628 1.198 -7.793 1.00 0.00 N ATOM 52 CA PHE A 4 -7.745 0.742 -6.969 1.00 0.00 C ATOM 53 C PHE A 4 -8.543 1.946 -6.469 1.00 0.00 C ATOM 54 O PHE A 4 -9.758 1.870 -6.291 1.00 0.00 O ATOM 55 CB PHE A 4 -7.244 -0.100 -5.777 1.00 0.00 C ATOM 56 CG PHE A 4 -6.637 0.784 -4.706 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.415 1.434 -4.952 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.284 0.947 -3.458 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.839 2.250 -3.964 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.699 1.758 -2.461 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.479 2.417 -2.718 1.00 0.00 C ATOM 0 H PHE A 4 -5.703 1.026 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.391 0.111 -7.579 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.072 -0.671 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.503 -0.821 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.918 1.306 -5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.225 0.451 -3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.903 2.751 -4.159 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.185 1.873 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.035 3.048 -1.962 1.00 0.00 H new ATOM 71 N SER A 5 -7.839 3.051 -6.244 1.00 0.00 N ATOM 72 CA SER A 5 -8.464 4.277 -5.757 1.00 0.00 C ATOM 73 C SER A 5 -9.633 4.705 -6.651 1.00 0.00 C ATOM 74 O SER A 5 -10.561 5.369 -6.189 1.00 0.00 O ATOM 75 CB SER A 5 -7.415 5.394 -5.683 1.00 0.00 C ATOM 76 OG SER A 5 -7.800 6.332 -4.687 1.00 0.00 O ATOM 0 H SER A 5 -6.832 3.123 -6.392 1.00 0.00 H new ATOM 0 HA SER A 5 -8.864 4.085 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.437 4.975 -5.446 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.325 5.889 -6.650 1.00 0.00 H new ATOM 0 HG SER A 5 -7.132 7.047 -4.635 1.00 0.00 H new ATOM 82 N GLN A 6 -9.582 4.331 -7.928 1.00 0.00 N ATOM 83 CA GLN A 6 -10.647 4.698 -8.860 1.00 0.00 C ATOM 84 C GLN A 6 -11.985 4.121 -8.411 1.00 0.00 C ATOM 85 O GLN A 6 -13.040 4.691 -8.688 1.00 0.00 O ATOM 86 CB GLN A 6 -10.336 4.180 -10.266 1.00 0.00 C ATOM 87 CG GLN A 6 -9.094 4.878 -10.822 1.00 0.00 C ATOM 88 CD GLN A 6 -9.397 6.347 -11.104 1.00 0.00 C ATOM 89 OE1 GLN A 6 -10.447 6.677 -11.616 1.00 0.00 O ATOM 90 NE2 GLN A 6 -8.507 7.250 -10.798 1.00 0.00 N ATOM 0 H GLN A 6 -8.826 3.782 -8.337 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.708 5.786 -8.875 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.175 3.102 -10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.187 4.357 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.273 4.799 -10.109 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.769 4.384 -11.738 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.625 6.972 -10.368 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.693 8.235 -10.989 1.00 0.00 H new ATOM 99 N THR A 7 -11.938 2.984 -7.718 1.00 0.00 N ATOM 100 CA THR A 7 -13.156 2.324 -7.234 1.00 0.00 C ATOM 101 C THR A 7 -12.986 1.893 -5.781 1.00 0.00 C ATOM 102 O THR A 7 -13.566 0.900 -5.342 1.00 0.00 O ATOM 103 CB THR A 7 -13.484 1.087 -8.093 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.501 0.323 -7.460 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.232 0.231 -8.257 1.00 0.00 C ATOM 0 H THR A 7 -11.073 2.499 -7.478 1.00 0.00 H new ATOM 0 HA THR A 7 -13.976 3.039 -7.308 1.00 0.00 H new ATOM 0 HB THR A 7 -13.832 1.412 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.278 0.202 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.466 -0.643 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.453 0.816 -8.747 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.881 -0.092 -7.277 1.00 0.00 H new ATOM 113 N CYS A 8 -12.199 2.668 -5.031 1.00 0.00 N ATOM 114 CA CYS A 8 -11.962 2.389 -3.611 1.00 0.00 C ATOM 115 C CYS A 8 -11.966 3.685 -2.814 1.00 0.00 C ATOM 116 O CYS A 8 -11.285 4.648 -3.164 1.00 0.00 O ATOM 117 CB CYS A 8 -10.632 1.655 -3.416 1.00 0.00 C ATOM 118 SG CYS A 8 -10.793 -0.041 -4.026 1.00 0.00 S ATOM 0 H CYS A 8 -11.715 3.494 -5.383 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.765 1.747 -3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.836 2.172 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.357 1.650 -2.361 1.00 0.00 H new ATOM 123 N TYR A 9 -12.756 3.699 -1.738 1.00 0.00 N ATOM 124 CA TYR A 9 -12.873 4.876 -0.874 1.00 0.00 C ATOM 125 C TYR A 9 -12.732 4.476 0.590 1.00 0.00 C ATOM 126 O TYR A 9 -12.731 3.290 0.921 1.00 0.00 O ATOM 127 CB TYR A 9 -14.229 5.554 -1.100 1.00 0.00 C ATOM 128 CG TYR A 9 -15.354 4.579 -0.822 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.768 3.670 -1.821 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.996 4.581 0.435 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.822 2.766 -1.560 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.050 3.680 0.695 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.463 2.770 -0.302 1.00 0.00 C ATOM 134 OH TYR A 9 -18.555 1.956 -0.081 1.00 0.00 O ATOM 0 H TYR A 9 -13.326 2.906 -1.444 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.075 5.575 -1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.322 6.423 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.297 5.916 -2.126 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.279 3.666 -2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.679 5.274 1.200 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.138 2.071 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.541 3.686 1.657 1.00 0.00 H new ATOM 0 HH TYR A 9 -19.041 1.826 -0.922 1.00 0.00 H new ATOM 144 N ASN A 10 -12.594 5.475 1.458 1.00 0.00 N ATOM 145 CA ASN A 10 -12.433 5.225 2.887 1.00 0.00 C ATOM 146 C ASN A 10 -11.208 4.355 3.134 1.00 0.00 C ATOM 147 O ASN A 10 -11.240 3.436 3.952 1.00 0.00 O ATOM 148 CB ASN A 10 -13.679 4.542 3.458 1.00 0.00 C ATOM 149 CG ASN A 10 -13.531 4.386 4.972 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.708 5.036 5.584 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.304 3.547 5.607 1.00 0.00 N ATOM 0 H ASN A 10 -12.590 6.461 1.198 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.298 6.183 3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.567 5.131 3.228 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.816 3.566 2.993 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.217 3.438 6.617 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.995 3.001 5.093 1.00 0.00 H new ATOM 158 N SER A 11 -10.125 4.654 2.417 1.00 0.00 N ATOM 159 CA SER A 11 -8.888 3.895 2.562 1.00 0.00 C ATOM 160 C SER A 11 -8.169 4.291 3.846 1.00 0.00 C ATOM 161 O SER A 11 -8.334 5.404 4.344 1.00 0.00 O ATOM 162 CB SER A 11 -7.975 4.132 1.351 1.00 0.00 C ATOM 163 OG SER A 11 -7.954 5.518 1.043 1.00 0.00 O ATOM 0 H SER A 11 -10.081 5.411 1.735 1.00 0.00 H new ATOM 0 HA SER A 11 -9.136 2.835 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.966 3.781 1.567 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.334 3.563 0.494 1.00 0.00 H new ATOM 0 HG SER A 11 -7.651 5.643 0.119 1.00 0.00 H new ATOM 169 N ALA A 12 -7.374 3.369 4.378 1.00 0.00 N ATOM 170 CA ALA A 12 -6.632 3.623 5.609 1.00 0.00 C ATOM 171 C ALA A 12 -5.395 2.741 5.672 1.00 0.00 C ATOM 172 O ALA A 12 -5.400 1.609 5.189 1.00 0.00 O ATOM 173 CB ALA A 12 -7.520 3.345 6.812 1.00 0.00 C ATOM 0 H ALA A 12 -7.227 2.442 3.978 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.321 4.668 5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.962 3.536 7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.394 3.996 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.842 2.304 6.794 1.00 0.00 H new ATOM 179 N ILE A 13 -4.329 3.268 6.271 1.00 0.00 N ATOM 180 CA ILE A 13 -3.072 2.531 6.407 1.00 0.00 C ATOM 181 C ILE A 13 -2.496 2.774 7.794 1.00 0.00 C ATOM 182 O ILE A 13 -2.476 3.908 8.272 1.00 0.00 O ATOM 183 CB ILE A 13 -2.045 2.977 5.335 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.506 2.463 3.957 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.646 2.401 5.663 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.746 3.167 2.811 1.00 0.00 C ATOM 0 H ILE A 13 -4.310 4.206 6.672 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.275 1.470 6.265 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.982 4.065 5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.345 1.387 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.577 2.632 3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.067 2.721 4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.323 2.763 6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.695 1.312 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.095 2.782 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.929 4.241 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.678 2.976 2.912 1.00 0.00 H new ATOM 198 N GLN A 14 -2.025 1.710 8.442 1.00 0.00 N ATOM 199 CA GLN A 14 -1.459 1.852 9.778 1.00 0.00 C ATOM 200 C GLN A 14 -0.544 0.684 10.130 1.00 0.00 C ATOM 201 O GLN A 14 -0.966 -0.313 10.715 1.00 0.00 O ATOM 202 CB GLN A 14 -2.589 1.970 10.810 1.00 0.00 C ATOM 203 CG GLN A 14 -2.044 2.527 12.132 1.00 0.00 C ATOM 204 CD GLN A 14 -1.572 3.969 11.930 1.00 0.00 C ATOM 205 OE1 GLN A 14 -2.370 4.882 11.861 1.00 0.00 O ATOM 206 NE2 GLN A 14 -0.294 4.210 11.817 1.00 0.00 N ATOM 0 H GLN A 14 -2.024 0.760 8.072 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.854 2.759 9.793 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.374 2.623 10.428 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.041 0.993 10.978 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.818 2.492 12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.218 1.910 12.484 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.377 3.444 11.875 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.034 5.165 11.671 1.00 0.00 H new ATOM 215 N GLY A 15 0.717 0.833 9.745 1.00 0.00 N ATOM 216 CA GLY A 15 1.739 -0.178 9.990 1.00 0.00 C ATOM 217 C GLY A 15 2.171 -0.851 8.708 1.00 0.00 C ATOM 218 O GLY A 15 3.272 -0.631 8.225 1.00 0.00 O ATOM 0 H GLY A 15 1.061 1.658 9.254 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.602 0.284 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.354 -0.926 10.683 1.00 0.00 H new ATOM 222 N SER A 16 1.296 -1.673 8.152 1.00 0.00 N ATOM 223 CA SER A 16 1.604 -2.371 6.912 1.00 0.00 C ATOM 224 C SER A 16 0.360 -3.057 6.390 1.00 0.00 C ATOM 225 O SER A 16 0.424 -4.134 5.804 1.00 0.00 O ATOM 226 CB SER A 16 2.702 -3.399 7.148 1.00 0.00 C ATOM 227 OG SER A 16 2.246 -4.372 8.080 1.00 0.00 O ATOM 0 H SER A 16 0.372 -1.873 8.536 1.00 0.00 H new ATOM 0 HA SER A 16 1.952 -1.648 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.974 -3.879 6.208 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.599 -2.909 7.527 1.00 0.00 H new ATOM 0 HG SER A 16 2.951 -5.035 8.232 1.00 0.00 H new ATOM 233 N VAL A 17 -0.773 -2.410 6.623 1.00 0.00 N ATOM 234 CA VAL A 17 -2.068 -2.933 6.194 1.00 0.00 C ATOM 235 C VAL A 17 -2.893 -1.839 5.542 1.00 0.00 C ATOM 236 O VAL A 17 -3.222 -0.842 6.174 1.00 0.00 O ATOM 237 CB VAL A 17 -2.857 -3.493 7.395 1.00 0.00 C ATOM 238 CG1 VAL A 17 -4.059 -4.296 6.893 1.00 0.00 C ATOM 239 CG2 VAL A 17 -1.944 -4.404 8.217 1.00 0.00 C ATOM 0 H VAL A 17 -0.824 -1.515 7.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.879 -3.732 5.477 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.209 -2.668 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.614 -4.690 7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.709 -3.649 6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.711 -5.122 6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.498 -4.802 9.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.595 -5.227 7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.088 -3.833 8.577 1.00 0.00 H new ATOM 249 N LEU A 18 -3.272 -2.061 4.288 1.00 0.00 N ATOM 250 CA LEU A 18 -4.117 -1.118 3.561 1.00 0.00 C ATOM 251 C LEU A 18 -5.530 -1.660 3.646 1.00 0.00 C ATOM 252 O LEU A 18 -5.750 -2.816 3.314 1.00 0.00 O ATOM 253 CB LEU A 18 -3.655 -1.034 2.085 1.00 0.00 C ATOM 254 CG LEU A 18 -4.031 0.320 1.446 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.797 0.241 -0.067 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.507 0.660 1.715 1.00 0.00 C ATOM 0 H LEU A 18 -3.007 -2.887 3.752 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.059 -0.115 3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.575 -1.174 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.109 -1.844 1.515 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.410 1.101 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.060 1.194 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.747 0.022 -0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.417 -0.549 -0.490 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.749 1.618 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.143 -0.117 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.676 0.720 2.790 1.00 0.00 H new ATOM 268 N THR A 19 -6.493 -0.845 4.064 1.00 0.00 N ATOM 269 CA THR A 19 -7.883 -1.289 4.161 1.00 0.00 C ATOM 270 C THR A 19 -8.753 -0.213 3.551 1.00 0.00 C ATOM 271 O THR A 19 -8.620 0.957 3.901 1.00 0.00 O ATOM 272 CB THR A 19 -8.297 -1.489 5.634 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.478 -2.490 6.224 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.763 -1.920 5.705 1.00 0.00 C ATOM 0 H THR A 19 -6.339 0.125 4.341 1.00 0.00 H new ATOM 0 HA THR A 19 -7.998 -2.240 3.640 1.00 0.00 H new ATOM 0 HB THR A 19 -8.172 -0.551 6.174 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.739 -2.616 7.160 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.051 -2.060 6.747 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.391 -1.151 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.893 -2.857 5.163 1.00 0.00 H new ATOM 282 N SER A 20 -9.629 -0.592 2.626 1.00 0.00 N ATOM 283 CA SER A 20 -10.485 0.389 1.969 1.00 0.00 C ATOM 284 C SER A 20 -11.768 -0.245 1.456 1.00 0.00 C ATOM 285 O SER A 20 -11.766 -1.372 0.960 1.00 0.00 O ATOM 286 CB SER A 20 -9.726 1.018 0.791 1.00 0.00 C ATOM 287 OG SER A 20 -10.325 2.263 0.460 1.00 0.00 O ATOM 0 H SER A 20 -9.764 -1.555 2.318 1.00 0.00 H new ATOM 0 HA SER A 20 -10.751 1.151 2.702 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.678 1.164 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.749 0.350 -0.070 1.00 0.00 H new ATOM 0 HG SER A 20 -11.238 2.291 0.815 1.00 0.00 H new ATOM 293 N THR A 21 -12.855 0.511 1.551 1.00 0.00 N ATOM 294 CA THR A 21 -14.146 0.050 1.065 1.00 0.00 C ATOM 295 C THR A 21 -14.199 0.254 -0.439 1.00 0.00 C ATOM 296 O THR A 21 -14.055 1.375 -0.922 1.00 0.00 O ATOM 297 CB THR A 21 -15.292 0.827 1.729 1.00 0.00 C ATOM 298 OG1 THR A 21 -15.119 0.798 3.140 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.628 0.179 1.366 1.00 0.00 C ATOM 0 H THR A 21 -12.866 1.445 1.960 1.00 0.00 H new ATOM 0 HA THR A 21 -14.263 -1.005 1.312 1.00 0.00 H new ATOM 0 HB THR A 21 -15.285 1.859 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.224 -0.121 3.464 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.440 0.731 1.838 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.758 0.196 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.639 -0.853 1.717 1.00 0.00 H new ATOM 307 N CYS A 22 -14.395 -0.838 -1.179 1.00 0.00 N ATOM 308 CA CYS A 22 -14.449 -0.778 -2.643 1.00 0.00 C ATOM 309 C CYS A 22 -15.764 -1.327 -3.159 1.00 0.00 C ATOM 310 O CYS A 22 -16.368 -2.209 -2.551 1.00 0.00 O ATOM 311 CB CYS A 22 -13.286 -1.578 -3.235 1.00 0.00 C ATOM 312 SG CYS A 22 -11.722 -1.012 -2.518 1.00 0.00 S ATOM 0 H CYS A 22 -14.519 -1.773 -0.791 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.369 0.265 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.425 -2.640 -3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.264 -1.458 -4.318 1.00 0.00 H new ATOM 317 N GLU A 23 -16.205 -0.785 -4.289 1.00 0.00 N ATOM 318 CA GLU A 23 -17.457 -1.212 -4.892 1.00 0.00 C ATOM 319 C GLU A 23 -17.310 -2.595 -5.514 1.00 0.00 C ATOM 320 O GLU A 23 -16.466 -2.814 -6.383 1.00 0.00 O ATOM 321 CB GLU A 23 -17.899 -0.204 -5.963 1.00 0.00 C ATOM 322 CG GLU A 23 -17.733 1.235 -5.433 1.00 0.00 C ATOM 323 CD GLU A 23 -18.638 2.189 -6.222 1.00 0.00 C ATOM 324 OE1 GLU A 23 -19.844 2.115 -6.043 1.00 0.00 O ATOM 325 OE2 GLU A 23 -18.110 2.975 -6.991 1.00 0.00 O ATOM 0 H GLU A 23 -15.715 -0.052 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.215 -1.260 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.306 -0.338 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.939 -0.383 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -17.986 1.273 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.693 1.548 -5.524 1.00 0.00 H new ATOM 332 N ARG A 24 -18.154 -3.517 -5.070 1.00 0.00 N ATOM 333 CA ARG A 24 -18.130 -4.873 -5.596 1.00 0.00 C ATOM 334 C ARG A 24 -18.581 -4.872 -7.046 1.00 0.00 C ATOM 335 O ARG A 24 -19.244 -3.940 -7.500 1.00 0.00 O ATOM 336 CB ARG A 24 -19.054 -5.798 -4.791 1.00 0.00 C ATOM 337 CG ARG A 24 -18.590 -5.896 -3.315 1.00 0.00 C ATOM 338 CD ARG A 24 -18.997 -7.259 -2.696 1.00 0.00 C ATOM 339 NE ARG A 24 -17.827 -8.185 -2.766 1.00 0.00 N ATOM 340 CZ ARG A 24 -17.996 -9.474 -2.643 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.190 -9.960 -2.443 1.00 0.00 N ATOM 342 NH2 ARG A 24 -16.969 -10.276 -2.723 1.00 0.00 N ATOM 0 H ARG A 24 -18.859 -3.351 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.107 -5.242 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.076 -5.422 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -19.062 -6.791 -5.240 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.508 -5.776 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.030 -5.084 -2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.312 -7.125 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -19.845 -7.681 -3.235 1.00 0.00 H new ATOM 0 HE ARG A 24 -16.890 -7.808 -2.911 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.992 -9.333 -2.383 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.321 -10.967 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.036 -9.896 -2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.100 -11.283 -2.627 1.00 0.00 H new ATOM 356 N THR A 25 -18.218 -5.924 -7.768 1.00 0.00 N ATOM 357 CA THR A 25 -18.590 -6.050 -9.174 1.00 0.00 C ATOM 358 C THR A 25 -19.930 -6.767 -9.306 1.00 0.00 C ATOM 359 O THR A 25 -20.614 -6.639 -10.321 1.00 0.00 O ATOM 360 CB THR A 25 -17.527 -6.855 -9.944 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.269 -6.204 -9.827 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.919 -6.946 -11.419 1.00 0.00 C ATOM 0 H THR A 25 -17.667 -6.702 -7.405 1.00 0.00 H new ATOM 0 HA THR A 25 -18.664 -5.046 -9.591 1.00 0.00 H new ATOM 0 HB THR A 25 -17.460 -7.860 -9.527 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.590 -6.715 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.165 -7.516 -11.961 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.885 -7.444 -11.509 1.00 0.00 H new ATOM 0 HG23 THR A 25 -17.988 -5.943 -11.840 1.00 0.00 H new ATOM 370 N ASN A 26 -20.295 -7.531 -8.272 1.00 0.00 N ATOM 371 CA ASN A 26 -21.555 -8.289 -8.271 1.00 0.00 C ATOM 372 C ASN A 26 -22.457 -7.859 -7.117 1.00 0.00 C ATOM 373 O ASN A 26 -23.646 -7.607 -7.308 1.00 0.00 O ATOM 374 CB ASN A 26 -21.243 -9.782 -8.139 1.00 0.00 C ATOM 375 CG ASN A 26 -22.531 -10.595 -8.281 1.00 0.00 C ATOM 376 OD1 ASN A 26 -23.515 -10.112 -8.805 1.00 0.00 O ATOM 377 ND2 ASN A 26 -22.566 -11.820 -7.831 1.00 0.00 N ATOM 0 H ASN A 26 -19.738 -7.642 -7.425 1.00 0.00 H new ATOM 0 HA ASN A 26 -22.077 -8.091 -9.207 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -20.526 -10.082 -8.904 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.780 -9.982 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -23.419 -12.372 -7.919 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.740 -12.226 -7.391 1.00 0.00 H new ATOM 384 N GLY A 27 -21.895 -7.808 -5.914 1.00 0.00 N ATOM 385 CA GLY A 27 -22.665 -7.441 -4.734 1.00 0.00 C ATOM 386 C GLY A 27 -22.829 -5.938 -4.557 1.00 0.00 C ATOM 387 O GLY A 27 -23.333 -5.239 -5.436 1.00 0.00 O ATOM 0 H GLY A 27 -20.913 -8.015 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.651 -7.901 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.177 -7.852 -3.850 1.00 0.00 H new ATOM 391 N GLY A 28 -22.406 -5.465 -3.386 1.00 0.00 N ATOM 392 CA GLY A 28 -22.493 -4.049 -3.024 1.00 0.00 C ATOM 393 C GLY A 28 -21.135 -3.479 -2.697 1.00 0.00 C ATOM 394 O GLY A 28 -20.319 -3.266 -3.587 1.00 0.00 O ATOM 0 H GLY A 28 -21.993 -6.051 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -22.936 -3.488 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.155 -3.931 -2.166 1.00 0.00 H new ATOM 398 N TYR A 29 -20.895 -3.214 -1.413 1.00 0.00 N ATOM 399 CA TYR A 29 -19.617 -2.658 -0.960 1.00 0.00 C ATOM 400 C TYR A 29 -18.847 -3.712 -0.168 1.00 0.00 C ATOM 401 O TYR A 29 -19.422 -4.416 0.663 1.00 0.00 O ATOM 402 CB TYR A 29 -19.870 -1.439 -0.070 1.00 0.00 C ATOM 403 CG TYR A 29 -20.598 -0.370 -0.862 1.00 0.00 C ATOM 404 CD1 TYR A 29 -19.958 0.253 -1.956 1.00 0.00 C ATOM 405 CD2 TYR A 29 -21.915 0.011 -0.509 1.00 0.00 C ATOM 406 CE1 TYR A 29 -20.630 1.251 -2.695 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.585 1.010 -1.250 1.00 0.00 C ATOM 408 CZ TYR A 29 -21.942 1.630 -2.342 1.00 0.00 C ATOM 409 OH TYR A 29 -22.532 2.712 -2.964 1.00 0.00 O ATOM 0 H TYR A 29 -21.570 -3.375 -0.665 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.031 -2.358 -1.829 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.461 -1.728 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -18.924 -1.047 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -18.953 -0.034 -2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.408 -0.462 0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.139 1.725 -3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.590 1.299 -0.980 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.436 2.841 -2.609 1.00 0.00 H new ATOM 419 N ASN A 30 -17.542 -3.817 -0.431 1.00 0.00 N ATOM 420 CA ASN A 30 -16.685 -4.792 0.257 1.00 0.00 C ATOM 421 C ASN A 30 -15.443 -4.106 0.812 1.00 0.00 C ATOM 422 O ASN A 30 -14.689 -3.472 0.074 1.00 0.00 O ATOM 423 CB ASN A 30 -16.265 -5.894 -0.722 1.00 0.00 C ATOM 424 CG ASN A 30 -15.264 -6.841 -0.055 1.00 0.00 C ATOM 425 OD1 ASN A 30 -13.994 -6.549 -0.082 1.00 0.00 O flip ATOM 426 ND2 ASN A 30 -15.643 -7.857 0.496 1.00 0.00 N flip ATOM 0 H ASN A 30 -17.053 -3.240 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.247 -5.231 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.142 -6.452 -1.050 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.819 -5.449 -1.612 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.637 -8.085 0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.967 -8.481 0.937 1.00 0.00 H new ATOM 433 N THR A 31 -15.234 -4.245 2.122 1.00 0.00 N ATOM 434 CA THR A 31 -14.075 -3.646 2.789 1.00 0.00 C ATOM 435 C THR A 31 -13.079 -4.719 3.187 1.00 0.00 C ATOM 436 O THR A 31 -13.206 -5.350 4.235 1.00 0.00 O ATOM 437 CB THR A 31 -14.502 -2.870 4.051 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.587 -2.011 3.729 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.327 -2.036 4.566 1.00 0.00 C ATOM 0 H THR A 31 -15.852 -4.767 2.743 1.00 0.00 H new ATOM 0 HA THR A 31 -13.611 -2.956 2.084 1.00 0.00 H new ATOM 0 HB THR A 31 -14.809 -3.575 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.904 -1.565 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.632 -1.489 5.458 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.494 -2.694 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.017 -1.330 3.796 1.00 0.00 H new ATOM 447 N SER A 32 -12.078 -4.913 2.332 1.00 0.00 N ATOM 448 CA SER A 32 -11.032 -5.904 2.574 1.00 0.00 C ATOM 449 C SER A 32 -9.745 -5.206 2.972 1.00 0.00 C ATOM 450 O SER A 32 -9.673 -3.976 2.995 1.00 0.00 O ATOM 451 CB SER A 32 -10.783 -6.716 1.306 1.00 0.00 C ATOM 452 OG SER A 32 -10.402 -5.836 0.258 1.00 0.00 O ATOM 0 H SER A 32 -11.969 -4.394 1.461 1.00 0.00 H new ATOM 0 HA SER A 32 -11.355 -6.567 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.000 -7.455 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.683 -7.265 1.028 1.00 0.00 H new ATOM 0 HG SER A 32 -9.494 -5.505 0.422 1.00 0.00 H new ATOM 458 N SER A 33 -8.723 -5.998 3.272 1.00 0.00 N ATOM 459 CA SER A 33 -7.425 -5.456 3.658 1.00 0.00 C ATOM 460 C SER A 33 -6.311 -6.258 3.007 1.00 0.00 C ATOM 461 O SER A 33 -6.433 -7.467 2.821 1.00 0.00 O ATOM 462 CB SER A 33 -7.268 -5.488 5.179 1.00 0.00 C ATOM 463 OG SER A 33 -7.572 -6.792 5.655 1.00 0.00 O ATOM 0 H SER A 33 -8.767 -7.017 3.256 1.00 0.00 H new ATOM 0 HA SER A 33 -7.364 -4.422 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.250 -5.215 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.931 -4.756 5.640 1.00 0.00 H new ATOM 0 HG SER A 33 -7.471 -6.816 6.629 1.00 0.00 H new ATOM 469 N ILE A 34 -5.220 -5.577 2.659 1.00 0.00 N ATOM 470 CA ILE A 34 -4.077 -6.234 2.025 1.00 0.00 C ATOM 471 C ILE A 34 -2.784 -5.726 2.643 1.00 0.00 C ATOM 472 O ILE A 34 -2.552 -4.522 2.751 1.00 0.00 O ATOM 473 CB ILE A 34 -4.089 -5.995 0.485 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.997 -6.864 -0.231 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.936 -4.496 0.160 1.00 0.00 C ATOM 476 CD1 ILE A 34 -1.660 -6.122 -0.415 1.00 0.00 C ATOM 0 H ILE A 34 -5.103 -4.574 2.805 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.147 -7.308 2.195 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.057 -6.314 0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.826 -7.771 0.348 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.371 -7.175 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.947 -4.355 -0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.761 -3.941 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.992 -4.131 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.947 -6.776 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.820 -5.229 -1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.266 -5.835 0.560 1.00 0.00 H new ATOM 488 N ASP A 35 -1.944 -6.661 3.067 1.00 0.00 N ATOM 489 CA ASP A 35 -0.676 -6.303 3.680 1.00 0.00 C ATOM 490 C ASP A 35 0.291 -5.839 2.605 1.00 0.00 C ATOM 491 O ASP A 35 0.688 -6.616 1.738 1.00 0.00 O ATOM 492 CB ASP A 35 -0.089 -7.497 4.439 1.00 0.00 C ATOM 493 CG ASP A 35 -0.095 -8.737 3.544 1.00 0.00 C ATOM 494 OD1 ASP A 35 -1.158 -9.097 3.069 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.965 -9.310 3.356 1.00 0.00 O ATOM 0 H ASP A 35 -2.117 -7.664 2.998 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.842 -5.494 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.929 -7.272 4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.670 -7.686 5.342 1.00 0.00 H new ATOM 500 N LEU A 36 0.682 -4.575 2.675 1.00 0.00 N ATOM 501 CA LEU A 36 1.617 -4.034 1.707 1.00 0.00 C ATOM 502 C LEU A 36 2.971 -4.677 1.924 1.00 0.00 C ATOM 503 O LEU A 36 3.914 -4.446 1.171 1.00 0.00 O ATOM 504 CB LEU A 36 1.747 -2.519 1.896 1.00 0.00 C ATOM 505 CG LEU A 36 0.401 -1.820 1.642 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.475 -0.380 2.165 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.078 -1.801 0.134 1.00 0.00 C ATOM 0 H LEU A 36 0.369 -3.913 3.385 1.00 0.00 H new ATOM 0 HA LEU A 36 1.256 -4.240 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.089 -2.302 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.501 -2.126 1.213 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.386 -2.367 2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.477 0.121 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.685 -0.392 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.269 0.156 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.878 -1.303 -0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.862 -1.263 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.021 -2.824 -0.239 1.00 0.00 H new ATOM 519 N ASN A 37 3.051 -5.486 2.972 1.00 0.00 N ATOM 520 CA ASN A 37 4.289 -6.158 3.311 1.00 0.00 C ATOM 521 C ASN A 37 4.644 -7.241 2.308 1.00 0.00 C ATOM 522 O ASN A 37 5.817 -7.553 2.141 1.00 0.00 O ATOM 523 CB ASN A 37 4.202 -6.771 4.710 1.00 0.00 C ATOM 524 CG ASN A 37 5.517 -7.492 5.030 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.615 -6.800 5.154 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.544 -8.700 5.157 1.00 0.00 N flip ATOM 0 H ASN A 37 2.272 -5.690 3.598 1.00 0.00 H new ATOM 0 HA ASN A 37 5.075 -5.403 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.011 -5.993 5.449 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.368 -7.471 4.762 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.686 -9.242 5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.425 -9.172 5.360 1.00 0.00 H new ATOM 533 N SER A 38 3.657 -7.858 1.661 1.00 0.00 N ATOM 534 CA SER A 38 3.948 -8.932 0.715 1.00 0.00 C ATOM 535 C SER A 38 4.277 -8.402 -0.677 1.00 0.00 C ATOM 536 O SER A 38 4.505 -9.190 -1.594 1.00 0.00 O ATOM 537 CB SER A 38 2.730 -9.853 0.615 1.00 0.00 C ATOM 538 OG SER A 38 2.523 -10.500 1.863 1.00 0.00 O ATOM 0 H SER A 38 2.667 -7.638 1.771 1.00 0.00 H new ATOM 0 HA SER A 38 4.821 -9.470 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.846 -9.277 0.341 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.884 -10.594 -0.170 1.00 0.00 H new ATOM 0 HG SER A 38 1.615 -10.313 2.182 1.00 0.00 H new ATOM 544 N VAL A 39 4.282 -7.077 -0.857 1.00 0.00 N ATOM 545 CA VAL A 39 4.570 -6.504 -2.181 1.00 0.00 C ATOM 546 C VAL A 39 5.421 -5.238 -2.089 1.00 0.00 C ATOM 547 O VAL A 39 5.549 -4.504 -3.068 1.00 0.00 O ATOM 548 CB VAL A 39 3.258 -6.189 -2.930 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.597 -7.502 -3.353 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.305 -5.424 -2.009 1.00 0.00 C ATOM 0 H VAL A 39 4.095 -6.393 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 39 5.139 -7.252 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 39 3.479 -5.581 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.669 -7.288 -3.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.271 -8.054 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.380 -8.101 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.381 -5.204 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.082 -6.031 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.773 -4.491 -1.695 1.00 0.00 H new ATOM 560 N ILE A 40 6.027 -4.995 -0.925 1.00 0.00 N ATOM 561 CA ILE A 40 6.898 -3.822 -0.741 1.00 0.00 C ATOM 562 C ILE A 40 8.166 -4.233 0.015 1.00 0.00 C ATOM 563 O ILE A 40 8.100 -4.997 0.969 1.00 0.00 O ATOM 564 CB ILE A 40 6.184 -2.685 0.039 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.980 -2.135 -0.769 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.170 -1.550 0.350 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.412 -1.134 -1.854 1.00 0.00 C ATOM 0 H ILE A 40 5.935 -5.587 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 40 7.153 -3.444 -1.731 1.00 0.00 H new ATOM 0 HB ILE A 40 5.812 -3.098 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.449 -2.965 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.280 -1.650 -0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.655 -0.760 0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.990 -1.936 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.566 -1.147 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.533 -0.778 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.919 -0.289 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.090 -1.624 -2.552 1.00 0.00 H new ATOM 579 N ALA A 41 9.321 -3.718 -0.434 1.00 0.00 N ATOM 580 CA ALA A 41 10.625 -4.032 0.187 1.00 0.00 C ATOM 581 C ALA A 41 11.353 -2.742 0.590 1.00 0.00 C ATOM 582 O ALA A 41 11.167 -1.703 -0.035 1.00 0.00 O ATOM 583 CB ALA A 41 11.479 -4.816 -0.810 1.00 0.00 C ATOM 0 H ALA A 41 9.382 -3.080 -1.227 1.00 0.00 H new ATOM 0 HA ALA A 41 10.458 -4.630 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.443 -5.051 -0.358 1.00 0.00 H new ATOM 0 HB2 ALA A 41 10.969 -5.741 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.635 -4.216 -1.706 1.00 0.00 H new ATOM 589 N ALA A 42 12.187 -2.819 1.639 1.00 0.00 N ATOM 590 CA ALA A 42 12.951 -1.647 2.115 1.00 0.00 C ATOM 591 C ALA A 42 14.439 -1.812 1.825 1.00 0.00 C ATOM 592 O ALA A 42 15.103 -2.654 2.429 1.00 0.00 O ATOM 593 CB ALA A 42 12.779 -1.468 3.619 1.00 0.00 C ATOM 0 H ALA A 42 12.351 -3.673 2.173 1.00 0.00 H new ATOM 0 HA ALA A 42 12.566 -0.775 1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.349 -0.600 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.724 -1.318 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.140 -2.358 4.135 1.00 0.00 H new ATOM 599 N VAL A 43 14.958 -1.004 0.901 1.00 0.00 N ATOM 600 CA VAL A 43 16.379 -1.058 0.536 1.00 0.00 C ATOM 601 C VAL A 43 17.005 0.331 0.615 1.00 0.00 C ATOM 602 O VAL A 43 16.693 1.210 -0.188 1.00 0.00 O ATOM 603 CB VAL A 43 16.555 -1.590 -0.897 1.00 0.00 C ATOM 604 CG1 VAL A 43 18.046 -1.675 -1.233 1.00 0.00 C ATOM 605 CG2 VAL A 43 15.928 -2.982 -0.996 1.00 0.00 C ATOM 0 H VAL A 43 14.419 -0.304 0.391 1.00 0.00 H new ATOM 0 HA VAL A 43 16.873 -1.728 1.239 1.00 0.00 H new ATOM 0 HB VAL A 43 16.066 -0.916 -1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 43 18.169 -2.052 -2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 43 18.493 -0.684 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 43 18.539 -2.350 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.049 -3.365 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.421 -3.654 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.866 -2.921 -0.756 1.00 0.00 H new ATOM 615 N ASP A 44 17.883 0.519 1.597 1.00 0.00 N ATOM 616 CA ASP A 44 18.556 1.799 1.793 1.00 0.00 C ATOM 617 C ASP A 44 17.546 2.926 1.996 1.00 0.00 C ATOM 618 O ASP A 44 17.799 4.071 1.621 1.00 0.00 O ATOM 619 CB ASP A 44 19.458 2.121 0.595 1.00 0.00 C ATOM 620 CG ASP A 44 20.665 1.181 0.592 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.464 -0.008 0.784 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.768 1.665 0.402 1.00 0.00 O ATOM 0 H ASP A 44 18.145 -0.201 2.270 1.00 0.00 H new ATOM 0 HA ASP A 44 19.169 1.718 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.898 2.013 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.792 3.157 0.647 1.00 0.00 H new ATOM 627 N GLY A 45 16.408 2.602 2.602 1.00 0.00 N ATOM 628 CA GLY A 45 15.384 3.601 2.856 1.00 0.00 C ATOM 629 C GLY A 45 14.594 3.943 1.611 1.00 0.00 C ATOM 630 O GLY A 45 14.276 5.106 1.369 1.00 0.00 O ATOM 0 H GLY A 45 16.176 1.662 2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.705 3.234 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.851 4.505 3.247 1.00 0.00 H new ATOM 634 N SER A 46 14.273 2.926 0.813 1.00 0.00 N ATOM 635 CA SER A 46 13.513 3.130 -0.425 1.00 0.00 C ATOM 636 C SER A 46 12.484 2.017 -0.611 1.00 0.00 C ATOM 637 O SER A 46 12.846 0.842 -0.685 1.00 0.00 O ATOM 638 CB SER A 46 14.480 3.142 -1.621 1.00 0.00 C ATOM 639 OG SER A 46 15.680 3.804 -1.246 1.00 0.00 O ATOM 0 H SER A 46 14.525 1.955 0.998 1.00 0.00 H new ATOM 0 HA SER A 46 12.989 4.084 -0.364 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.697 2.122 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.021 3.649 -2.470 1.00 0.00 H new ATOM 0 HG SER A 46 16.296 3.159 -0.839 1.00 0.00 H new ATOM 645 N LEU A 47 11.201 2.380 -0.686 1.00 0.00 N ATOM 646 CA LEU A 47 10.144 1.386 -0.870 1.00 0.00 C ATOM 647 C LEU A 47 9.979 1.046 -2.347 1.00 0.00 C ATOM 648 O LEU A 47 9.730 1.925 -3.173 1.00 0.00 O ATOM 649 CB LEU A 47 8.813 1.924 -0.333 1.00 0.00 C ATOM 650 CG LEU A 47 8.948 2.331 1.140 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.658 3.036 1.578 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.184 1.094 2.025 1.00 0.00 C ATOM 0 H LEU A 47 10.873 3.344 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 47 10.427 0.487 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.497 2.783 -0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.039 1.163 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 47 9.801 3.001 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.741 3.330 2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.501 3.922 0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.814 2.357 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.277 1.404 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.342 0.409 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.100 0.592 1.712 1.00 0.00 H new ATOM 664 N LYS A 48 10.109 -0.242 -2.670 1.00 0.00 N ATOM 665 CA LYS A 48 9.966 -0.722 -4.050 1.00 0.00 C ATOM 666 C LYS A 48 8.894 -1.802 -4.102 1.00 0.00 C ATOM 667 O LYS A 48 8.687 -2.508 -3.126 1.00 0.00 O ATOM 668 CB LYS A 48 11.297 -1.304 -4.547 1.00 0.00 C ATOM 669 CG LYS A 48 12.434 -0.262 -4.415 1.00 0.00 C ATOM 670 CD LYS A 48 12.458 0.687 -5.639 1.00 0.00 C ATOM 671 CE LYS A 48 13.253 0.060 -6.800 1.00 0.00 C ATOM 672 NZ LYS A 48 12.788 0.651 -8.086 1.00 0.00 N ATOM 0 H LYS A 48 10.314 -0.976 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 48 9.680 0.114 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.546 -2.196 -3.973 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.199 -1.612 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.297 0.318 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.393 -0.773 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.438 0.897 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.906 1.640 -5.358 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.319 0.242 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.113 -1.021 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.321 0.231 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.774 0.456 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.943 1.679 -8.072 1.00 0.00 H new ATOM 686 N TRP A 49 8.208 -1.917 -5.236 1.00 0.00 N ATOM 687 CA TRP A 49 7.145 -2.913 -5.380 1.00 0.00 C ATOM 688 C TRP A 49 7.709 -4.325 -5.500 1.00 0.00 C ATOM 689 O TRP A 49 8.891 -4.550 -5.248 1.00 0.00 O ATOM 690 CB TRP A 49 6.280 -2.573 -6.607 1.00 0.00 C ATOM 691 CG TRP A 49 5.418 -1.406 -6.267 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.561 -0.158 -6.766 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.295 -1.361 -5.345 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.609 0.662 -6.191 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.801 -0.033 -5.314 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.658 -2.337 -4.531 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.722 0.324 -4.504 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.557 -1.981 -3.716 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.092 -0.648 -3.700 1.00 0.00 C ATOM 0 H TRP A 49 8.365 -1.340 -6.062 1.00 0.00 H new ATOM 0 HA TRP A 49 6.528 -2.885 -4.482 1.00 0.00 H new ATOM 0 HB2 TRP A 49 6.912 -2.340 -7.464 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.666 -3.429 -6.887 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.298 0.148 -7.494 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.515 1.658 -6.390 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.016 -3.356 -4.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.370 1.345 -4.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.072 -2.729 -3.106 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.256 -0.374 -3.074 1.00 0.00 H new ATOM 710 N GLN A 50 6.827 -5.270 -5.858 1.00 0.00 N ATOM 711 CA GLN A 50 7.181 -6.689 -5.996 1.00 0.00 C ATOM 712 C GLN A 50 8.302 -7.094 -5.041 1.00 0.00 C ATOM 713 O GLN A 50 9.295 -7.693 -5.450 1.00 0.00 O ATOM 714 CB GLN A 50 7.561 -7.032 -7.452 1.00 0.00 C ATOM 715 CG GLN A 50 8.831 -6.260 -7.926 1.00 0.00 C ATOM 716 CD GLN A 50 8.443 -5.079 -8.829 1.00 0.00 C ATOM 717 OE1 GLN A 50 7.343 -4.422 -8.589 1.00 0.00 O flip ATOM 718 NE2 GLN A 50 9.150 -4.760 -9.765 1.00 0.00 N flip ATOM 0 H GLN A 50 5.847 -5.071 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 50 6.294 -7.263 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.737 -8.104 -7.537 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.726 -6.793 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.385 -5.896 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.493 -6.936 -8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.011 -5.274 -9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.883 -3.978 -10.363 1.00 0.00 H new ATOM 727 N GLY A 51 8.127 -6.760 -3.763 1.00 0.00 N ATOM 728 CA GLY A 51 9.117 -7.083 -2.743 1.00 0.00 C ATOM 729 C GLY A 51 8.466 -7.394 -1.409 1.00 0.00 C ATOM 730 O GLY A 51 7.245 -7.525 -1.323 1.00 0.00 O ATOM 0 H GLY A 51 7.307 -6.265 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.708 -7.939 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.805 -6.246 -2.626 1.00 0.00 H new ATOM 734 N SER A 52 9.284 -7.525 -0.364 1.00 0.00 N ATOM 735 CA SER A 52 8.760 -7.838 0.965 1.00 0.00 C ATOM 736 C SER A 52 9.770 -7.480 2.062 1.00 0.00 C ATOM 737 O SER A 52 10.883 -7.035 1.778 1.00 0.00 O ATOM 738 CB SER A 52 8.404 -9.329 1.037 1.00 0.00 C ATOM 739 OG SER A 52 9.425 -10.082 0.396 1.00 0.00 O ATOM 0 H SER A 52 10.298 -7.421 -0.410 1.00 0.00 H new ATOM 0 HA SER A 52 7.864 -7.240 1.132 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.302 -9.642 2.076 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.444 -9.510 0.554 1.00 0.00 H new ATOM 0 HG SER A 52 9.205 -11.036 0.440 1.00 0.00 H new ATOM 745 N ASN A 53 9.358 -7.688 3.314 1.00 0.00 N ATOM 746 CA ASN A 53 10.205 -7.404 4.477 1.00 0.00 C ATOM 747 C ASN A 53 10.622 -5.928 4.528 1.00 0.00 C ATOM 748 O ASN A 53 11.800 -5.614 4.701 1.00 0.00 O ATOM 749 CB ASN A 53 11.455 -8.314 4.459 1.00 0.00 C ATOM 750 CG ASN A 53 11.102 -9.705 4.996 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.803 -10.606 4.238 1.00 0.00 O ATOM 752 ND2 ASN A 53 11.128 -9.917 6.283 1.00 0.00 N ATOM 0 H ASN A 53 8.436 -8.055 3.551 1.00 0.00 H new ATOM 0 HA ASN A 53 9.621 -7.613 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.841 -8.395 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.245 -7.871 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 53 10.897 -10.839 6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.379 -9.161 6.920 1.00 0.00 H new ATOM 759 N PHE A 54 9.647 -5.022 4.391 1.00 0.00 N ATOM 760 CA PHE A 54 9.927 -3.577 4.440 1.00 0.00 C ATOM 761 C PHE A 54 9.463 -2.989 5.768 1.00 0.00 C ATOM 762 O PHE A 54 10.110 -2.109 6.323 1.00 0.00 O ATOM 763 CB PHE A 54 9.222 -2.855 3.261 1.00 0.00 C ATOM 764 CG PHE A 54 7.865 -2.309 3.661 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.764 -1.052 4.290 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.708 -3.057 3.392 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.497 -0.542 4.649 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.439 -2.554 3.750 1.00 0.00 C ATOM 769 CZ PHE A 54 5.333 -1.295 4.380 1.00 0.00 C ATOM 0 H PHE A 54 8.665 -5.258 4.247 1.00 0.00 H new ATOM 0 HA PHE A 54 11.003 -3.429 4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.852 -2.039 2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.103 -3.549 2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.655 -0.479 4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.789 -4.020 2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.418 0.422 5.129 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.550 -3.131 3.542 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.363 -0.908 4.656 1.00 0.00 H new ATOM 779 N ILE A 55 8.350 -3.510 6.268 1.00 0.00 N ATOM 780 CA ILE A 55 7.800 -3.037 7.532 1.00 0.00 C ATOM 781 C ILE A 55 8.762 -3.344 8.661 1.00 0.00 C ATOM 782 O ILE A 55 8.901 -2.567 9.605 1.00 0.00 O ATOM 783 CB ILE A 55 6.442 -3.702 7.838 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.862 -3.165 9.167 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.629 -5.219 7.949 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.726 -1.628 9.128 1.00 0.00 C ATOM 0 H ILE A 55 7.814 -4.254 5.822 1.00 0.00 H new ATOM 0 HA ILE A 55 7.651 -1.961 7.446 1.00 0.00 H new ATOM 0 HB ILE A 55 5.750 -3.469 7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.887 -3.616 9.351 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.509 -3.456 9.995 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.670 -5.689 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.019 -5.607 7.008 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.331 -5.441 8.753 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.316 -1.275 10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.707 -1.180 8.968 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.059 -1.342 8.314 1.00 0.00 H new ATOM 798 N GLU A 56 9.430 -4.481 8.549 1.00 0.00 N ATOM 799 CA GLU A 56 10.390 -4.887 9.557 1.00 0.00 C ATOM 800 C GLU A 56 11.407 -3.778 9.780 1.00 0.00 C ATOM 801 O GLU A 56 12.034 -3.700 10.837 1.00 0.00 O ATOM 802 CB GLU A 56 11.111 -6.160 9.099 1.00 0.00 C ATOM 803 CG GLU A 56 10.132 -7.355 9.081 1.00 0.00 C ATOM 804 CD GLU A 56 10.034 -7.981 10.478 1.00 0.00 C ATOM 805 OE1 GLU A 56 9.663 -7.275 11.401 1.00 0.00 O ATOM 806 OE2 GLU A 56 10.334 -9.158 10.598 1.00 0.00 O ATOM 0 H GLU A 56 9.324 -5.135 7.773 1.00 0.00 H new ATOM 0 HA GLU A 56 9.864 -5.084 10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.531 -6.010 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.945 -6.374 9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.147 -7.022 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.471 -8.102 8.363 1.00 0.00 H new ATOM 813 N ALA A 57 11.577 -2.921 8.766 1.00 0.00 N ATOM 814 CA ALA A 57 12.535 -1.815 8.841 1.00 0.00 C ATOM 815 C ALA A 57 11.866 -0.471 8.554 1.00 0.00 C ATOM 816 O ALA A 57 12.539 0.467 8.135 1.00 0.00 O ATOM 817 CB ALA A 57 13.651 -2.046 7.833 1.00 0.00 C ATOM 0 H ALA A 57 11.064 -2.973 7.886 1.00 0.00 H new ATOM 0 HA ALA A 57 12.937 -1.784 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.365 -1.225 7.887 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.158 -2.984 8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.230 -2.096 6.829 1.00 0.00 H new ATOM 823 N CYS A 58 10.545 -0.372 8.777 1.00 0.00 N ATOM 824 CA CYS A 58 9.820 0.891 8.538 1.00 0.00 C ATOM 825 C CYS A 58 8.902 1.223 9.713 1.00 0.00 C ATOM 826 O CYS A 58 8.636 0.383 10.571 1.00 0.00 O ATOM 827 CB CYS A 58 8.996 0.816 7.219 1.00 0.00 C ATOM 828 SG CYS A 58 9.533 2.094 6.042 1.00 0.00 S ATOM 0 H CYS A 58 9.963 -1.137 9.117 1.00 0.00 H new ATOM 0 HA CYS A 58 10.560 1.686 8.441 1.00 0.00 H new ATOM 0 HB2 CYS A 58 9.112 -0.170 6.769 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.936 0.942 7.440 1.00 0.00 H new ATOM 833 N ARG A 59 8.417 2.463 9.724 1.00 0.00 N ATOM 834 CA ARG A 59 7.518 2.928 10.774 1.00 0.00 C ATOM 835 C ARG A 59 6.698 4.117 10.281 1.00 0.00 C ATOM 836 O ARG A 59 6.959 4.659 9.207 1.00 0.00 O ATOM 837 CB ARG A 59 8.318 3.331 12.029 1.00 0.00 C ATOM 838 CG ARG A 59 9.263 4.548 11.748 1.00 0.00 C ATOM 839 CD ARG A 59 10.732 4.115 11.773 1.00 0.00 C ATOM 840 NE ARG A 59 11.606 5.311 11.599 1.00 0.00 N ATOM 841 CZ ARG A 59 11.767 6.157 12.582 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.306 5.874 13.770 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.387 7.287 12.376 1.00 0.00 N ATOM 0 H ARG A 59 8.633 3.164 9.015 1.00 0.00 H new ATOM 0 HA ARG A 59 6.842 2.113 11.033 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.628 3.584 12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.910 2.482 12.371 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.024 4.983 10.777 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.095 5.324 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.960 3.619 12.716 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.923 3.393 10.979 1.00 0.00 H new ATOM 0 HE ARG A 59 12.080 5.469 10.710 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.820 4.992 13.932 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.432 6.535 14.537 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.746 7.510 11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.513 7.947 13.143 1.00 0.00 H new ATOM 857 N ASN A 60 5.716 4.522 11.075 1.00 0.00 N ATOM 858 CA ASN A 60 4.873 5.654 10.713 1.00 0.00 C ATOM 859 C ASN A 60 4.340 5.504 9.293 1.00 0.00 C ATOM 860 O ASN A 60 4.550 6.374 8.449 1.00 0.00 O ATOM 861 CB ASN A 60 5.674 6.955 10.822 1.00 0.00 C ATOM 862 CG ASN A 60 5.983 7.246 12.291 1.00 0.00 C ATOM 863 OD1 ASN A 60 7.195 7.064 12.738 1.00 0.00 O flip ATOM 864 ND2 ASN A 60 5.112 7.643 13.040 1.00 0.00 N flip ATOM 0 H ASN A 60 5.484 4.087 11.968 1.00 0.00 H new ATOM 0 HA ASN A 60 4.028 5.683 11.401 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.601 6.872 10.255 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.108 7.780 10.389 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.164 7.785 12.690 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.329 7.834 14.018 1.00 0.00 H new ATOM 871 N THR A 61 3.630 4.407 9.040 1.00 0.00 N ATOM 872 CA THR A 61 3.045 4.159 7.724 1.00 0.00 C ATOM 873 C THR A 61 1.620 4.710 7.700 1.00 0.00 C ATOM 874 O THR A 61 0.858 4.511 8.646 1.00 0.00 O ATOM 875 CB THR A 61 3.015 2.642 7.421 1.00 0.00 C ATOM 876 OG1 THR A 61 2.542 1.948 8.561 1.00 0.00 O ATOM 877 CG2 THR A 61 4.425 2.144 7.083 1.00 0.00 C ATOM 0 H THR A 61 3.446 3.676 9.728 1.00 0.00 H new ATOM 0 HA THR A 61 3.652 4.654 6.966 1.00 0.00 H new ATOM 0 HB THR A 61 2.356 2.462 6.571 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.285 1.791 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.392 1.075 6.871 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.799 2.676 6.208 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.088 2.326 7.929 1.00 0.00 H new ATOM 885 N GLN A 62 1.261 5.410 6.625 1.00 0.00 N ATOM 886 CA GLN A 62 -0.080 5.986 6.521 1.00 0.00 C ATOM 887 C GLN A 62 -0.433 6.321 5.073 1.00 0.00 C ATOM 888 O GLN A 62 0.415 6.269 4.184 1.00 0.00 O ATOM 889 CB GLN A 62 -0.173 7.252 7.376 1.00 0.00 C ATOM 890 CG GLN A 62 0.889 8.262 6.930 1.00 0.00 C ATOM 891 CD GLN A 62 0.985 9.391 7.960 1.00 0.00 C ATOM 892 OE1 GLN A 62 0.034 10.117 8.177 1.00 0.00 O ATOM 893 NE2 GLN A 62 2.102 9.569 8.610 1.00 0.00 N ATOM 0 H GLN A 62 1.868 5.591 5.825 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.791 5.243 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.166 7.691 7.284 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.031 7.002 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.855 7.768 6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.631 8.669 5.952 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.900 8.960 8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.177 10.317 9.300 1.00 0.00 H new ATOM 902 N LEU A 63 -1.701 6.666 4.853 1.00 0.00 N ATOM 903 CA LEU A 63 -2.196 7.016 3.520 1.00 0.00 C ATOM 904 C LEU A 63 -2.061 8.517 3.281 1.00 0.00 C ATOM 905 O LEU A 63 -2.451 9.323 4.124 1.00 0.00 O ATOM 906 CB LEU A 63 -3.673 6.610 3.416 1.00 0.00 C ATOM 907 CG LEU A 63 -4.191 6.759 1.962 1.00 0.00 C ATOM 908 CD1 LEU A 63 -3.863 5.503 1.143 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.713 6.950 1.982 1.00 0.00 C ATOM 0 H LEU A 63 -2.409 6.711 5.586 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.609 6.489 2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.794 5.578 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.272 7.229 4.084 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.705 7.622 1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.234 5.625 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.783 5.355 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.339 4.636 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.080 7.055 0.961 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.182 6.084 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.960 7.847 2.550 1.00 0.00 H new ATOM 921 N ALA A 64 -1.508 8.885 2.123 1.00 0.00 N ATOM 922 CA ALA A 64 -1.319 10.297 1.766 1.00 0.00 C ATOM 923 C ALA A 64 -1.985 10.611 0.427 1.00 0.00 C ATOM 924 O ALA A 64 -1.855 9.856 -0.534 1.00 0.00 O ATOM 925 CB ALA A 64 0.171 10.600 1.681 1.00 0.00 C ATOM 0 H ALA A 64 -1.183 8.227 1.415 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.780 10.918 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.315 11.648 1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.638 10.402 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.628 9.967 0.920 1.00 0.00 H new ATOM 931 N GLY A 65 -2.692 11.737 0.370 1.00 0.00 N ATOM 932 CA GLY A 65 -3.360 12.156 -0.854 1.00 0.00 C ATOM 933 C GLY A 65 -4.623 11.364 -1.153 1.00 0.00 C ATOM 934 O GLY A 65 -5.687 11.946 -1.334 1.00 0.00 O ATOM 0 H GLY A 65 -2.816 12.373 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.613 13.214 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.669 12.053 -1.690 1.00 0.00 H new ATOM 938 N SER A 66 -4.491 10.037 -1.173 1.00 0.00 N ATOM 939 CA SER A 66 -5.630 9.138 -1.432 1.00 0.00 C ATOM 940 C SER A 66 -5.146 7.738 -1.798 1.00 0.00 C ATOM 941 O SER A 66 -5.714 6.744 -1.350 1.00 0.00 O ATOM 942 CB SER A 66 -6.513 9.667 -2.580 1.00 0.00 C ATOM 943 OG SER A 66 -5.685 10.142 -3.632 1.00 0.00 O ATOM 0 H SER A 66 -3.607 9.554 -1.013 1.00 0.00 H new ATOM 0 HA SER A 66 -6.217 9.098 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.166 8.875 -2.946 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.157 10.469 -2.219 1.00 0.00 H new ATOM 0 HG SER A 66 -6.245 10.477 -4.363 1.00 0.00 H new ATOM 949 N SER A 67 -4.112 7.664 -2.640 1.00 0.00 N ATOM 950 CA SER A 67 -3.578 6.371 -3.083 1.00 0.00 C ATOM 951 C SER A 67 -2.058 6.345 -2.982 1.00 0.00 C ATOM 952 O SER A 67 -1.396 5.693 -3.783 1.00 0.00 O ATOM 953 CB SER A 67 -4.007 6.101 -4.537 1.00 0.00 C ATOM 954 OG SER A 67 -2.967 6.493 -5.426 1.00 0.00 O ATOM 0 H SER A 67 -3.631 8.476 -3.027 1.00 0.00 H new ATOM 0 HA SER A 67 -3.979 5.594 -2.433 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.232 5.043 -4.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.920 6.651 -4.765 1.00 0.00 H new ATOM 0 HG SER A 67 -2.159 5.973 -5.234 1.00 0.00 H new ATOM 960 N GLU A 68 -1.511 7.036 -1.980 1.00 0.00 N ATOM 961 CA GLU A 68 -0.059 7.057 -1.762 1.00 0.00 C ATOM 962 C GLU A 68 0.239 6.591 -0.349 1.00 0.00 C ATOM 963 O GLU A 68 -0.583 6.751 0.552 1.00 0.00 O ATOM 964 CB GLU A 68 0.523 8.461 -1.989 1.00 0.00 C ATOM 965 CG GLU A 68 -0.024 9.057 -3.302 1.00 0.00 C ATOM 966 CD GLU A 68 0.916 10.160 -3.806 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.098 9.886 -3.944 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.439 11.257 -4.048 1.00 0.00 O ATOM 0 H GLU A 68 -2.046 7.587 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 68 0.410 6.386 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.266 9.109 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.611 8.410 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.118 8.275 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.022 9.464 -3.139 1.00 0.00 H new ATOM 975 N LEU A 69 1.417 5.996 -0.167 1.00 0.00 N ATOM 976 CA LEU A 69 1.830 5.479 1.142 1.00 0.00 C ATOM 977 C LEU A 69 3.082 6.192 1.618 1.00 0.00 C ATOM 978 O LEU A 69 4.161 6.022 1.059 1.00 0.00 O ATOM 979 CB LEU A 69 2.068 3.961 1.025 1.00 0.00 C ATOM 980 CG LEU A 69 2.659 3.330 2.318 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.197 3.539 2.420 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.955 3.902 3.562 1.00 0.00 C ATOM 0 H LEU A 69 2.104 5.859 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 69 1.046 5.662 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.125 3.469 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.746 3.769 0.193 1.00 0.00 H new ATOM 0 HG LEU A 69 2.480 2.256 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.566 3.082 3.338 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.685 3.076 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.419 4.606 2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.379 3.451 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.098 4.982 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.889 3.678 3.512 1.00 0.00 H new ATOM 994 N ALA A 70 2.915 6.977 2.679 1.00 0.00 N ATOM 995 CA ALA A 70 4.020 7.721 3.281 1.00 0.00 C ATOM 996 C ALA A 70 4.551 6.962 4.489 1.00 0.00 C ATOM 997 O ALA A 70 3.779 6.488 5.322 1.00 0.00 O ATOM 998 CB ALA A 70 3.540 9.098 3.706 1.00 0.00 C ATOM 0 H ALA A 70 2.018 7.115 3.143 1.00 0.00 H new ATOM 0 HA ALA A 70 4.820 7.833 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.367 9.649 4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.172 9.640 2.835 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.736 8.994 4.435 1.00 0.00 H new ATOM 1004 N ALA A 71 5.867 6.837 4.575 1.00 0.00 N ATOM 1005 CA ALA A 71 6.477 6.118 5.684 1.00 0.00 C ATOM 1006 C ALA A 71 7.978 6.357 5.708 1.00 0.00 C ATOM 1007 O ALA A 71 8.527 6.963 4.790 1.00 0.00 O ATOM 1008 CB ALA A 71 6.187 4.630 5.534 1.00 0.00 C ATOM 0 H ALA A 71 6.527 7.219 3.898 1.00 0.00 H new ATOM 0 HA ALA A 71 6.057 6.480 6.622 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.641 4.086 6.362 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.109 4.467 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.603 4.271 4.592 1.00 0.00 H new ATOM 1014 N GLU A 72 8.643 5.861 6.755 1.00 0.00 N ATOM 1015 CA GLU A 72 10.096 6.009 6.881 1.00 0.00 C ATOM 1016 C GLU A 72 10.749 4.644 7.016 1.00 0.00 C ATOM 1017 O GLU A 72 10.388 3.878 7.900 1.00 0.00 O ATOM 1018 CB GLU A 72 10.458 6.852 8.110 1.00 0.00 C ATOM 1019 CG GLU A 72 9.650 8.148 8.140 1.00 0.00 C ATOM 1020 CD GLU A 72 10.131 9.004 9.318 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.304 9.346 9.340 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.321 9.299 10.183 1.00 0.00 O ATOM 0 H GLU A 72 8.202 5.356 7.524 1.00 0.00 H new ATOM 0 HA GLU A 72 10.459 6.511 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.268 6.279 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.523 7.083 8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.774 8.692 7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.587 7.928 8.243 1.00 0.00 H new ATOM 1029 N CYS A 73 11.735 4.358 6.151 1.00 0.00 N ATOM 1030 CA CYS A 73 12.461 3.077 6.191 1.00 0.00 C ATOM 1031 C CYS A 73 13.930 3.315 6.535 1.00 0.00 C ATOM 1032 O CYS A 73 14.513 4.337 6.174 1.00 0.00 O ATOM 1033 CB CYS A 73 12.324 2.333 4.843 1.00 0.00 C ATOM 1034 SG CYS A 73 10.925 1.176 4.901 1.00 0.00 S ATOM 0 H CYS A 73 12.048 4.994 5.417 1.00 0.00 H new ATOM 0 HA CYS A 73 12.023 2.450 6.968 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.177 3.051 4.037 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.244 1.791 4.624 1.00 0.00 H new ATOM 1039 N LYS A 74 14.498 2.361 7.265 1.00 0.00 N ATOM 1040 CA LYS A 74 15.884 2.448 7.711 1.00 0.00 C ATOM 1041 C LYS A 74 16.875 2.263 6.558 1.00 0.00 C ATOM 1042 O LYS A 74 16.786 1.312 5.784 1.00 0.00 O ATOM 1043 CB LYS A 74 16.122 1.386 8.816 1.00 0.00 C ATOM 1044 CG LYS A 74 16.875 2.000 10.001 1.00 0.00 C ATOM 1045 CD LYS A 74 17.078 0.934 11.081 1.00 0.00 C ATOM 1046 CE LYS A 74 17.760 1.552 12.305 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.604 0.636 13.469 1.00 0.00 N ATOM 0 H LYS A 74 14.016 1.513 7.562 1.00 0.00 H new ATOM 0 HA LYS A 74 16.057 3.447 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.167 0.985 9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.692 0.551 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.839 2.388 9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.314 2.842 10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.117 0.507 11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.686 0.118 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.817 1.722 12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.319 2.523 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.066 1.052 14.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.593 0.496 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 18.044 -0.281 13.251 1.00 0.00 H new ATOM 1061 N THR A 75 17.808 3.204 6.458 1.00 0.00 N ATOM 1062 CA THR A 75 18.820 3.172 5.408 1.00 0.00 C ATOM 1063 C THR A 75 19.877 2.109 5.706 1.00 0.00 C ATOM 1064 O THR A 75 19.915 1.542 6.797 1.00 0.00 O ATOM 1065 CB THR A 75 19.514 4.544 5.262 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.905 5.011 6.543 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.549 5.546 4.621 1.00 0.00 C ATOM 0 H THR A 75 17.884 3.999 7.092 1.00 0.00 H new ATOM 0 HA THR A 75 18.312 2.928 4.475 1.00 0.00 H new ATOM 0 HB THR A 75 20.394 4.440 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.199 5.581 6.913 1.00 0.00 H new ATOM 0 HG21 THR A 75 19.042 6.513 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 75 18.251 5.186 3.636 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.665 5.654 5.250 1.00 0.00 H new ATOM 1075 N ALA A 76 20.731 1.842 4.721 1.00 0.00 N ATOM 1076 CA ALA A 76 21.782 0.843 4.878 1.00 0.00 C ATOM 1077 C ALA A 76 22.704 1.205 6.038 1.00 0.00 C ATOM 1078 O ALA A 76 23.360 0.337 6.617 1.00 0.00 O ATOM 1079 CB ALA A 76 22.588 0.739 3.592 1.00 0.00 C ATOM 0 H ALA A 76 20.716 2.301 3.810 1.00 0.00 H new ATOM 0 HA ALA A 76 21.316 -0.118 5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.372 -0.008 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.931 0.446 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 76 23.039 1.705 3.366 1.00 0.00 H new ATOM 1085 N ALA A 77 22.755 2.494 6.369 1.00 0.00 N ATOM 1086 CA ALA A 77 23.606 2.972 7.459 1.00 0.00 C ATOM 1087 C ALA A 77 22.879 2.889 8.796 1.00 0.00 C ATOM 1088 O ALA A 77 23.502 2.984 9.853 1.00 0.00 O ATOM 1089 CB ALA A 77 24.017 4.410 7.191 1.00 0.00 C ATOM 0 H ALA A 77 22.219 3.225 5.900 1.00 0.00 H new ATOM 0 HA ALA A 77 24.491 2.337 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.651 4.765 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.568 4.462 6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 77 23.127 5.036 7.125 1.00 0.00 H new ATOM 1095 N GLY A 78 21.558 2.699 8.753 1.00 0.00 N ATOM 1096 CA GLY A 78 20.761 2.596 9.971 1.00 0.00 C ATOM 1097 C GLY A 78 20.013 3.885 10.288 1.00 0.00 C ATOM 1098 O GLY A 78 19.793 4.202 11.457 1.00 0.00 O ATOM 0 H GLY A 78 21.022 2.614 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.045 1.781 9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.412 2.342 10.807 1.00 0.00 H new ATOM 1102 N GLN A 79 19.631 4.642 9.248 1.00 0.00 N ATOM 1103 CA GLN A 79 18.914 5.920 9.438 1.00 0.00 C ATOM 1104 C GLN A 79 17.591 5.944 8.670 1.00 0.00 C ATOM 1105 O GLN A 79 17.538 5.649 7.478 1.00 0.00 O ATOM 1106 CB GLN A 79 19.816 7.078 8.981 1.00 0.00 C ATOM 1107 CG GLN A 79 20.927 7.308 10.027 1.00 0.00 C ATOM 1108 CD GLN A 79 22.112 8.047 9.399 1.00 0.00 C ATOM 1109 OE1 GLN A 79 22.256 8.084 8.194 1.00 0.00 O ATOM 1110 NE2 GLN A 79 22.979 8.634 10.178 1.00 0.00 N ATOM 0 H GLN A 79 19.803 4.397 8.273 1.00 0.00 H new ATOM 0 HA GLN A 79 18.678 6.029 10.496 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.257 6.849 8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 79 19.226 7.986 8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 79 20.533 7.885 10.863 1.00 0.00 H new ATOM 0 HG3 GLN A 79 21.260 6.351 10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 79 22.858 8.603 11.190 1.00 0.00 H new ATOM 0 HE22 GLN A 79 23.778 9.124 9.775 1.00 0.00 H new ATOM 1119 N PHE A 80 16.526 6.297 9.386 1.00 0.00 N ATOM 1120 CA PHE A 80 15.183 6.360 8.811 1.00 0.00 C ATOM 1121 C PHE A 80 14.968 7.639 7.995 1.00 0.00 C ATOM 1122 O PHE A 80 14.976 8.742 8.539 1.00 0.00 O ATOM 1123 CB PHE A 80 14.148 6.306 9.943 1.00 0.00 C ATOM 1124 CG PHE A 80 14.111 4.925 10.565 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.411 3.880 9.924 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.758 4.684 11.799 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.362 2.598 10.513 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.701 3.403 12.390 1.00 0.00 C ATOM 1129 CZ PHE A 80 14.006 2.358 11.745 1.00 0.00 C ATOM 0 H PHE A 80 16.568 6.546 10.374 1.00 0.00 H new ATOM 0 HA PHE A 80 15.066 5.510 8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.394 7.047 10.704 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.162 6.563 9.555 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.913 4.061 8.983 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.297 5.481 12.290 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.830 1.799 10.019 1.00 0.00 H new ATOM 0 HE2 PHE A 80 15.190 3.223 13.336 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.967 1.376 12.194 1.00 0.00 H new ATOM 1139 N VAL A 81 14.754 7.476 6.687 1.00 0.00 N ATOM 1140 CA VAL A 81 14.505 8.613 5.786 1.00 0.00 C ATOM 1141 C VAL A 81 13.022 8.655 5.431 1.00 0.00 C ATOM 1142 O VAL A 81 12.266 7.816 5.889 1.00 0.00 O ATOM 1143 CB VAL A 81 15.320 8.474 4.490 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.805 8.646 4.804 1.00 0.00 C ATOM 1145 CG2 VAL A 81 15.085 7.087 3.892 1.00 0.00 C ATOM 0 H VAL A 81 14.747 6.567 6.224 1.00 0.00 H new ATOM 0 HA VAL A 81 14.804 9.529 6.295 1.00 0.00 H new ATOM 0 HB VAL A 81 15.008 9.237 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.385 8.548 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.974 9.632 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.118 7.881 5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.661 6.985 2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.401 6.325 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.025 6.961 3.672 1.00 0.00 H new ATOM 1155 N SER A 82 12.606 9.622 4.609 1.00 0.00 N ATOM 1156 CA SER A 82 11.193 9.729 4.209 1.00 0.00 C ATOM 1157 C SER A 82 10.972 9.030 2.870 1.00 0.00 C ATOM 1158 O SER A 82 11.477 9.476 1.841 1.00 0.00 O ATOM 1159 CB SER A 82 10.791 11.209 4.096 1.00 0.00 C ATOM 1160 OG SER A 82 10.436 11.696 5.383 1.00 0.00 O ATOM 0 H SER A 82 13.216 10.336 4.210 1.00 0.00 H new ATOM 0 HA SER A 82 10.575 9.247 4.967 1.00 0.00 H new ATOM 0 HB2 SER A 82 11.616 11.792 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 82 9.953 11.319 3.408 1.00 0.00 H new ATOM 0 HG SER A 82 10.181 12.640 5.317 1.00 0.00 H new ATOM 1166 N THR A 83 10.222 7.926 2.891 1.00 0.00 N ATOM 1167 CA THR A 83 9.944 7.160 1.671 1.00 0.00 C ATOM 1168 C THR A 83 8.466 7.205 1.317 1.00 0.00 C ATOM 1169 O THR A 83 7.598 7.182 2.191 1.00 0.00 O ATOM 1170 CB THR A 83 10.342 5.686 1.848 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.380 5.034 2.667 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.722 5.593 2.505 1.00 0.00 C ATOM 0 H THR A 83 9.797 7.542 3.735 1.00 0.00 H new ATOM 0 HA THR A 83 10.530 7.616 0.873 1.00 0.00 H new ATOM 0 HB THR A 83 10.380 5.203 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.096 5.640 3.383 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.997 4.545 2.627 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.459 6.091 1.875 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.693 6.077 3.481 1.00 0.00 H new ATOM 1180 N LYS A 84 8.193 7.268 0.016 1.00 0.00 N ATOM 1181 CA LYS A 84 6.823 7.316 -0.485 1.00 0.00 C ATOM 1182 C LYS A 84 6.678 6.417 -1.705 1.00 0.00 C ATOM 1183 O LYS A 84 7.661 6.085 -2.366 1.00 0.00 O ATOM 1184 CB LYS A 84 6.453 8.760 -0.857 1.00 0.00 C ATOM 1185 CG LYS A 84 7.457 9.340 -1.899 1.00 0.00 C ATOM 1186 CD LYS A 84 6.871 9.264 -3.328 1.00 0.00 C ATOM 1187 CE LYS A 84 5.875 10.417 -3.568 1.00 0.00 C ATOM 1188 NZ LYS A 84 4.855 9.981 -4.562 1.00 0.00 N ATOM 0 H LYS A 84 8.906 7.287 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 84 6.150 6.963 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.443 8.787 -1.265 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.452 9.382 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.688 10.376 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 84 8.394 8.785 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.677 9.314 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.369 8.307 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.392 10.698 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 84 6.402 11.299 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.888 10.608 -5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.055 9.004 -4.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.909 10.026 -4.131 1.00 0.00 H new ATOM 1202 N ILE A 85 5.445 6.033 -2.001 1.00 0.00 N ATOM 1203 CA ILE A 85 5.176 5.179 -3.148 1.00 0.00 C ATOM 1204 C ILE A 85 3.687 5.217 -3.472 1.00 0.00 C ATOM 1205 O ILE A 85 2.847 5.193 -2.571 1.00 0.00 O ATOM 1206 CB ILE A 85 5.649 3.734 -2.870 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.614 2.911 -4.167 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.768 3.072 -1.810 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.327 1.554 -3.964 1.00 0.00 C ATOM 0 H ILE A 85 4.618 6.298 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 85 5.731 5.548 -4.011 1.00 0.00 H new ATOM 0 HB ILE A 85 6.672 3.772 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.581 2.744 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.097 3.466 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.118 2.056 -1.629 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.821 3.644 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.736 3.044 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.293 0.983 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.365 1.727 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.825 0.994 -3.175 1.00 0.00 H new ATOM 1221 N ASN A 86 3.361 5.289 -4.761 1.00 0.00 N ATOM 1222 CA ASN A 86 1.965 5.350 -5.189 1.00 0.00 C ATOM 1223 C ASN A 86 1.345 3.954 -5.150 1.00 0.00 C ATOM 1224 O ASN A 86 1.786 3.053 -5.857 1.00 0.00 O ATOM 1225 CB ASN A 86 1.886 5.963 -6.611 1.00 0.00 C ATOM 1226 CG ASN A 86 0.721 6.961 -6.709 1.00 0.00 C ATOM 1227 OD1 ASN A 86 -0.375 6.731 -6.039 1.00 0.00 O flip ATOM 1228 ND2 ASN A 86 0.815 7.956 -7.399 1.00 0.00 N flip ATOM 0 H ASN A 86 4.039 5.306 -5.523 1.00 0.00 H new ATOM 0 HA ASN A 86 1.399 5.986 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.823 6.466 -6.848 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.755 5.170 -7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.672 8.135 -7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.037 8.613 -7.455 1.00 0.00 H new ATOM 1235 N LEU A 87 0.298 3.804 -4.344 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.410 2.536 -4.216 1.00 0.00 C ATOM 1237 C LEU A 87 -1.158 2.207 -5.502 1.00 0.00 C ATOM 1238 O LEU A 87 -1.298 1.042 -5.874 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.391 2.653 -3.052 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.622 2.884 -1.739 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.614 3.246 -0.613 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.185 1.617 -1.346 1.00 0.00 C ATOM 0 H LEU A 87 -0.081 4.553 -3.765 1.00 0.00 H new ATOM 0 HA LEU A 87 0.303 1.733 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.082 3.478 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.990 1.746 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 87 0.078 3.707 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.067 3.409 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.153 4.155 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.324 2.430 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.721 1.801 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.498 0.778 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.899 1.381 -2.135 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.635 3.247 -6.175 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.371 3.077 -7.422 1.00 0.00 C ATOM 1256 C ASP A 88 -1.477 2.494 -8.514 1.00 0.00 C ATOM 1257 O ASP A 88 -1.960 2.090 -9.571 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.907 4.433 -7.890 1.00 0.00 C ATOM 1259 CG ASP A 88 -1.764 5.441 -7.970 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -0.622 5.018 -7.897 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -2.050 6.618 -8.113 1.00 0.00 O ATOM 0 H ASP A 88 -1.525 4.217 -5.878 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.194 2.387 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.382 4.330 -8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.671 4.790 -7.200 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.174 2.473 -8.266 1.00 0.00 N ATOM 1267 CA ASP A 89 0.768 1.961 -9.257 1.00 0.00 C ATOM 1268 C ASP A 89 0.512 0.483 -9.564 1.00 0.00 C ATOM 1269 O ASP A 89 0.656 0.052 -10.708 1.00 0.00 O ATOM 1270 CB ASP A 89 2.213 2.158 -8.758 1.00 0.00 C ATOM 1271 CG ASP A 89 3.176 2.263 -9.947 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.089 3.244 -10.668 1.00 0.00 O ATOM 1273 OD2 ASP A 89 3.982 1.365 -10.114 1.00 0.00 O ATOM 0 H ASP A 89 0.253 2.800 -7.399 1.00 0.00 H new ATOM 0 HA ASP A 89 0.624 2.522 -10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.275 3.060 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.502 1.323 -8.120 1.00 0.00 H new ATOM 1278 N HIS A 90 0.140 -0.296 -8.542 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.121 -1.733 -8.730 1.00 0.00 C ATOM 1280 C HIS A 90 -1.382 -2.177 -7.992 1.00 0.00 C ATOM 1281 O HIS A 90 -2.106 -3.050 -8.469 1.00 0.00 O ATOM 1282 CB HIS A 90 1.055 -2.556 -8.205 1.00 0.00 C ATOM 1283 CG HIS A 90 2.278 -2.323 -9.049 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.785 -3.002 -10.129 1.00 0.00 N flip ATOM 1285 CD2 HIS A 90 3.173 -1.297 -8.791 1.00 0.00 C flip ATOM 1286 CE1 HIS A 90 3.979 -2.412 -10.531 1.00 0.00 C flip ATOM 1287 NE2 HIS A 90 4.166 -1.390 -9.693 1.00 0.00 N flip ATOM 0 H HIS A 90 0.013 0.036 -7.586 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.256 -1.897 -9.799 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.263 -2.285 -7.170 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.797 -3.615 -8.212 1.00 0.00 H new ATOM 0 HD1 HIS A 90 2.353 -3.814 -10.569 1.00 0.00 H new ATOM 0 HD2 HIS A 90 3.088 -0.558 -8.008 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.618 -2.716 -11.347 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.631 -1.602 -6.822 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.804 -1.986 -6.045 1.00 0.00 C ATOM 1297 C ILE A 91 -4.067 -1.721 -6.850 1.00 0.00 C ATOM 1298 O ILE A 91 -4.352 -0.583 -7.224 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.885 -1.214 -4.711 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.535 -1.294 -3.959 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -4.014 -1.787 -3.844 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.323 -2.667 -3.296 1.00 0.00 C ATOM 0 H ILE A 91 -1.049 -0.881 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.715 -3.049 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.099 -0.166 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.720 -1.099 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.497 -0.515 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.066 -1.238 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.963 -1.692 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.817 -2.839 -3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.363 -2.677 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.123 -2.852 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.333 -3.445 -4.059 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.819 -2.789 -7.123 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.061 -2.697 -7.897 1.00 0.00 C ATOM 1316 C ALA A 92 -7.242 -3.135 -7.046 1.00 0.00 C ATOM 1317 O ALA A 92 -7.084 -3.489 -5.877 1.00 0.00 O ATOM 1318 CB ALA A 92 -5.977 -3.601 -9.117 1.00 0.00 C ATOM 0 H ALA A 92 -4.588 -3.734 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.198 -1.662 -8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.903 -3.528 -9.688 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.140 -3.291 -9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.829 -4.632 -8.796 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.423 -3.130 -7.654 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.650 -3.547 -6.978 1.00 0.00 C ATOM 1326 C ASN A 93 -10.273 -4.711 -7.736 1.00 0.00 C ATOM 1327 O ASN A 93 -10.626 -4.577 -8.907 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.634 -2.385 -6.936 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.837 -2.762 -6.071 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.679 -3.272 -4.979 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.041 -2.526 -6.514 1.00 0.00 N ATOM 0 H ASN A 93 -8.559 -2.839 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.414 -3.857 -5.960 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.147 -1.497 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.963 -2.137 -7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.851 -2.769 -5.944 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.172 -2.098 -7.430 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.403 -5.855 -7.066 1.00 0.00 N ATOM 1339 CA ILE A 94 -10.983 -7.056 -7.675 1.00 0.00 C ATOM 1340 C ILE A 94 -12.291 -7.411 -6.976 1.00 0.00 C ATOM 1341 O ILE A 94 -12.303 -7.729 -5.789 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.016 -8.254 -7.538 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.612 -7.856 -8.051 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.562 -9.479 -8.311 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.679 -7.288 -9.477 1.00 0.00 C ATOM 0 H ILE A 94 -10.113 -5.978 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.162 -6.849 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.935 -8.530 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.175 -7.115 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -7.956 -8.726 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.870 -10.314 -8.205 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.535 -9.760 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.667 -9.226 -9.366 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.676 -7.018 -9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.093 -8.040 -10.149 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.315 -6.403 -9.487 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.387 -7.347 -7.723 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.706 -7.654 -7.179 1.00 0.00 C ATOM 1359 C ASP A 95 -14.933 -6.945 -5.842 1.00 0.00 C ATOM 1360 O ASP A 95 -15.721 -7.400 -5.014 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.884 -9.172 -7.021 1.00 0.00 C ATOM 1362 CG ASP A 95 -14.047 -9.694 -5.850 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -14.447 -9.474 -4.719 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -13.024 -10.306 -6.106 1.00 0.00 O ATOM 0 H ASP A 95 -13.389 -7.085 -8.709 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.452 -7.287 -7.884 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.936 -9.405 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.587 -9.676 -7.941 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.252 -5.811 -5.652 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.394 -5.018 -4.434 1.00 0.00 C ATOM 1371 C GLY A 96 -13.367 -5.357 -3.371 1.00 0.00 C ATOM 1372 O GLY A 96 -13.539 -5.001 -2.205 1.00 0.00 O ATOM 0 H GLY A 96 -13.596 -5.423 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.310 -3.961 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.393 -5.170 -4.025 1.00 0.00 H new ATOM 1376 N THR A 97 -12.292 -6.040 -3.768 1.00 0.00 N ATOM 1377 CA THR A 97 -11.226 -6.424 -2.831 1.00 0.00 C ATOM 1378 C THR A 97 -9.896 -5.827 -3.272 1.00 0.00 C ATOM 1379 O THR A 97 -9.649 -5.656 -4.460 1.00 0.00 O ATOM 1380 CB THR A 97 -11.074 -7.955 -2.767 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.780 -8.455 -4.064 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.376 -8.578 -2.260 1.00 0.00 C ATOM 0 H THR A 97 -12.133 -6.340 -4.730 1.00 0.00 H new ATOM 0 HA THR A 97 -11.501 -6.045 -1.847 1.00 0.00 H new ATOM 0 HB THR A 97 -10.262 -8.212 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.607 -8.515 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.267 -9.662 -2.215 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.600 -8.194 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.190 -8.323 -2.939 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.040 -5.503 -2.306 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.734 -4.916 -2.612 1.00 0.00 C ATOM 1392 C LEU A 98 -6.698 -6.000 -2.880 1.00 0.00 C ATOM 1393 O LEU A 98 -6.507 -6.901 -2.066 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.258 -4.057 -1.439 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.346 -3.054 -1.036 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.902 -2.334 0.239 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.566 -2.024 -2.159 1.00 0.00 C ATOM 0 H LEU A 98 -9.223 -5.635 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.845 -4.301 -3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.009 -4.694 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.348 -3.525 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.282 -3.585 -0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.667 -1.617 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.757 -3.063 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.965 -1.809 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.341 -1.319 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.637 -1.485 -2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.876 -2.538 -3.069 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.021 -5.889 -4.023 1.00 0.00 N ATOM 1410 CA LYS A 99 -4.981 -6.848 -4.409 1.00 0.00 C ATOM 1411 C LYS A 99 -3.889 -6.125 -5.195 1.00 0.00 C ATOM 1412 O LYS A 99 -4.072 -4.991 -5.630 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.590 -7.982 -5.268 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.254 -9.089 -4.376 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.746 -9.231 -4.711 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.320 -10.464 -4.010 1.00 0.00 C ATOM 1417 NZ LYS A 99 -8.301 -10.257 -2.535 1.00 0.00 N ATOM 0 H LYS A 99 -6.174 -5.142 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.549 -7.288 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.335 -7.566 -5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.811 -8.430 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.748 -10.042 -4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.135 -8.835 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.285 -8.338 -4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.879 -9.319 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.340 -10.645 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.737 -11.347 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.097 -10.767 -2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.406 -10.617 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.386 -9.242 -2.326 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.749 -6.793 -5.357 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.607 -6.223 -6.079 1.00 0.00 C ATOM 1433 C TYR A 100 -1.562 -6.745 -7.512 1.00 0.00 C ATOM 1434 O TYR A 100 -1.760 -7.934 -7.759 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.321 -6.602 -5.338 1.00 0.00 C ATOM 1436 CG TYR A 100 0.909 -6.247 -6.151 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.494 -4.967 -6.033 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.483 -7.205 -7.015 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.655 -4.651 -6.776 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.636 -6.883 -7.763 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.220 -5.605 -7.644 1.00 0.00 C ATOM 1442 OH TYR A 100 4.405 -5.325 -8.292 1.00 0.00 O ATOM 0 H TYR A 100 -2.588 -7.734 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.707 -5.138 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.286 -6.086 -4.378 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.323 -7.671 -5.125 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.055 -4.230 -5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.039 -8.186 -7.104 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.109 -3.676 -6.678 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.071 -7.616 -8.427 1.00 0.00 H new ATOM 0 HH TYR A 100 4.253 -4.632 -8.967 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.300 -5.838 -8.453 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.224 -6.191 -9.873 1.00 0.00 C ATOM 1454 C GLU A 101 0.072 -5.664 -10.479 1.00 0.00 C ATOM 1455 O GLU A 101 0.957 -6.467 -10.720 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.412 -5.579 -10.619 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.732 -6.224 -10.153 1.00 0.00 C ATOM 1458 CD GLU A 101 -3.956 -7.561 -10.864 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -2.988 -8.134 -11.332 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -5.098 -7.985 -10.932 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.119 -4.484 -10.786 1.00 0.00 O ATOM 0 H GLU A 101 -1.136 -4.850 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.248 -7.277 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.444 -4.504 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.289 -5.724 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.707 -6.379 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.565 -5.552 -10.359 1.00 0.00 H new