USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : C 5 TYR OH : rot 180:sc= -0.352 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.32 K(o=-0.32,f=-1.3!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : C 16 GLN : amide:sc= -11.9! C(o=-12!,f=-13!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.469 K(o=-0.47,f=-1.9!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 43:sc= -0.551! USER MOD Single : C 37 SER OG : rot 180:sc= 0.262 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.107 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl 167:sc= -0.976 (180deg=-1.97) USER MOD Single : C 47 MET CE :methyl 143:sc= -5.61! (180deg=-7.02!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= 0.343 K(o=0.34,f=-0.74) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -1.64 K(o=-1.6,f=-0.24) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot -127:sc= 0.519 USER MOD Single : C 71 THR OG1 : rot -170:sc= -0.0194 USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 81 MET CE :methyl 160:sc= -2.57 (180deg=-5.01!) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 160:sc= -3.45! (180deg=-5.07!) USER MOD Single : C 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 149 SER OG : rot 166:sc= 0.991 USER MOD Single : I 153 MET CE :methyl -163:sc= -1.04 (180deg=-1.65) USER MOD Single : I 154 MET CE :methyl 170:sc= 0 (180deg=-0.0734) USER MOD Single : I 155 GLN : amide:sc= -0.176 K(o=-0.18,f=-1) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 86.942 -15.743 -0.522 1.00 0.00 N ATOM 64 CA TYR C 5 86.440 -14.523 0.108 1.00 0.00 C ATOM 65 C TYR C 5 85.389 -14.861 1.159 1.00 0.00 C ATOM 66 O TYR C 5 85.448 -14.389 2.294 1.00 0.00 O ATOM 67 CB TYR C 5 85.813 -13.598 -0.937 1.00 0.00 C ATOM 68 CG TYR C 5 86.831 -13.271 -2.001 1.00 0.00 C ATOM 69 CD1 TYR C 5 87.728 -12.212 -1.810 1.00 0.00 C ATOM 70 CD2 TYR C 5 86.877 -14.023 -3.181 1.00 0.00 C ATOM 71 CE1 TYR C 5 88.670 -11.907 -2.799 1.00 0.00 C ATOM 72 CE2 TYR C 5 87.821 -13.718 -4.169 1.00 0.00 C ATOM 73 CZ TYR C 5 88.717 -12.660 -3.979 1.00 0.00 C ATOM 74 OH TYR C 5 89.646 -12.358 -4.953 1.00 0.00 O ATOM 0 HA TYR C 5 87.283 -14.019 0.581 1.00 0.00 H new ATOM 0 HB2 TYR C 5 84.944 -14.078 -1.387 1.00 0.00 H new ATOM 0 HB3 TYR C 5 85.462 -12.682 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR C 5 87.693 -11.631 -0.900 1.00 0.00 H new ATOM 0 HD2 TYR C 5 86.184 -14.838 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR C 5 89.361 -11.090 -2.652 1.00 0.00 H new ATOM 0 HE2 TYR C 5 87.858 -14.300 -5.078 1.00 0.00 H new ATOM 0 HH TYR C 5 89.544 -12.977 -5.706 1.00 0.00 H new ATOM 84 N LYS C 6 84.422 -15.686 0.765 1.00 0.00 N ATOM 85 CA LYS C 6 83.354 -16.086 1.677 1.00 0.00 C ATOM 86 C LYS C 6 83.917 -16.402 3.059 1.00 0.00 C ATOM 87 O LYS C 6 83.226 -16.271 4.069 1.00 0.00 O ATOM 88 CB LYS C 6 82.628 -17.321 1.140 1.00 0.00 C ATOM 89 CG LYS C 6 81.840 -16.944 -0.116 1.00 0.00 C ATOM 90 CD LYS C 6 80.490 -16.349 0.289 1.00 0.00 C ATOM 91 CE LYS C 6 79.555 -16.335 -0.921 1.00 0.00 C ATOM 92 NZ LYS C 6 79.282 -14.925 -1.320 1.00 0.00 N ATOM 0 H LYS C 6 84.356 -16.087 -0.170 1.00 0.00 H new ATOM 0 HA LYS C 6 82.652 -15.256 1.755 1.00 0.00 H new ATOM 0 HB2 LYS C 6 83.347 -18.107 0.909 1.00 0.00 H new ATOM 0 HB3 LYS C 6 81.954 -17.719 1.899 1.00 0.00 H new ATOM 0 HG2 LYS C 6 82.404 -16.224 -0.709 1.00 0.00 H new ATOM 0 HG3 LYS C 6 81.689 -17.824 -0.741 1.00 0.00 H new ATOM 0 HD2 LYS C 6 80.050 -16.935 1.096 1.00 0.00 H new ATOM 0 HD3 LYS C 6 80.626 -15.336 0.669 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.008 -16.878 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS C 6 78.622 -16.843 -0.679 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 78.646 -14.914 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 78.833 -14.421 -0.529 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.176 -14.455 -1.567 1.00 0.00 H new ATOM 106 N ALA C 7 85.179 -16.820 3.096 1.00 0.00 N ATOM 107 CA ALA C 7 85.823 -17.152 4.365 1.00 0.00 C ATOM 108 C ALA C 7 86.074 -15.889 5.184 1.00 0.00 C ATOM 109 O ALA C 7 85.466 -15.684 6.234 1.00 0.00 O ATOM 110 CB ALA C 7 87.152 -17.865 4.122 1.00 0.00 C ATOM 0 H ALA C 7 85.771 -16.936 2.273 1.00 0.00 H new ATOM 0 HA ALA C 7 85.155 -17.813 4.917 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.617 -18.104 5.078 1.00 0.00 H new ATOM 0 HB2 ALA C 7 86.975 -18.785 3.565 1.00 0.00 H new ATOM 0 HB3 ALA C 7 87.814 -17.215 3.549 1.00 0.00 H new ATOM 116 N ALA C 8 86.974 -15.040 4.694 1.00 0.00 N ATOM 117 CA ALA C 8 87.286 -13.798 5.397 1.00 0.00 C ATOM 118 C ALA C 8 85.998 -13.107 5.827 1.00 0.00 C ATOM 119 O ALA C 8 85.796 -12.803 7.002 1.00 0.00 O ATOM 120 CB ALA C 8 88.079 -12.852 4.493 1.00 0.00 C ATOM 0 H ALA C 8 87.493 -15.185 3.828 1.00 0.00 H new ATOM 0 HA ALA C 8 87.886 -14.044 6.273 1.00 0.00 H new ATOM 0 HB1 ALA C 8 88.302 -11.933 5.035 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.011 -13.331 4.193 1.00 0.00 H new ATOM 0 HB3 ALA C 8 87.490 -12.617 3.606 1.00 0.00 H new ATOM 126 N VAL C 9 85.126 -12.870 4.852 1.00 0.00 N ATOM 127 CA VAL C 9 83.846 -12.221 5.119 1.00 0.00 C ATOM 128 C VAL C 9 83.051 -13.020 6.144 1.00 0.00 C ATOM 129 O VAL C 9 82.228 -12.475 6.879 1.00 0.00 O ATOM 130 CB VAL C 9 83.024 -12.137 3.837 1.00 0.00 C ATOM 131 CG1 VAL C 9 83.677 -11.154 2.864 1.00 0.00 C ATOM 132 CG2 VAL C 9 82.959 -13.522 3.202 1.00 0.00 C ATOM 0 H VAL C 9 85.281 -13.116 3.874 1.00 0.00 H new ATOM 0 HA VAL C 9 84.047 -11.221 5.503 1.00 0.00 H new ATOM 0 HB VAL C 9 82.018 -11.788 4.068 1.00 0.00 H new ATOM 0 HG11 VAL C 9 83.085 -11.099 1.950 1.00 0.00 H new ATOM 0 HG12 VAL C 9 83.728 -10.167 3.324 1.00 0.00 H new ATOM 0 HG13 VAL C 9 84.684 -11.495 2.624 1.00 0.00 H new ATOM 0 HG21 VAL C 9 82.373 -13.474 2.284 1.00 0.00 H new ATOM 0 HG22 VAL C 9 83.968 -13.864 2.971 1.00 0.00 H new ATOM 0 HG23 VAL C 9 82.489 -14.219 3.896 1.00 0.00 H new ATOM 142 N GLU C 10 83.303 -14.324 6.173 1.00 0.00 N ATOM 143 CA GLU C 10 82.602 -15.205 7.100 1.00 0.00 C ATOM 144 C GLU C 10 83.136 -15.017 8.514 1.00 0.00 C ATOM 145 O GLU C 10 82.382 -15.019 9.488 1.00 0.00 O ATOM 146 CB GLU C 10 82.782 -16.670 6.694 1.00 0.00 C ATOM 147 CG GLU C 10 81.591 -17.119 5.847 1.00 0.00 C ATOM 148 CD GLU C 10 80.551 -17.783 6.742 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.934 -18.618 7.544 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.385 -17.448 6.611 1.00 0.00 O ATOM 0 H GLU C 10 83.981 -14.791 5.571 1.00 0.00 H new ATOM 0 HA GLU C 10 81.543 -14.949 7.069 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.707 -16.790 6.131 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.866 -17.296 7.582 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.152 -16.263 5.335 1.00 0.00 H new ATOM 0 HG3 GLU C 10 81.921 -17.816 5.077 1.00 0.00 H new ATOM 157 N GLN C 11 84.449 -14.850 8.611 1.00 0.00 N ATOM 158 CA GLN C 11 85.093 -14.656 9.903 1.00 0.00 C ATOM 159 C GLN C 11 84.523 -13.431 10.598 1.00 0.00 C ATOM 160 O GLN C 11 84.169 -13.469 11.776 1.00 0.00 O ATOM 161 CB GLN C 11 86.591 -14.444 9.715 1.00 0.00 C ATOM 162 CG GLN C 11 87.262 -15.776 9.372 1.00 0.00 C ATOM 163 CD GLN C 11 88.180 -16.190 10.517 1.00 0.00 C ATOM 164 OE1 GLN C 11 88.794 -15.343 11.166 1.00 0.00 O ATOM 165 NE2 GLN C 11 88.312 -17.456 10.807 1.00 0.00 N ATOM 0 H GLN C 11 85.086 -14.845 7.814 1.00 0.00 H new ATOM 0 HA GLN C 11 84.912 -15.545 10.508 1.00 0.00 H new ATOM 0 HB2 GLN C 11 86.769 -13.721 8.919 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.026 -14.030 10.625 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.507 -16.543 9.201 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.834 -15.681 8.449 1.00 0.00 H new ATOM 0 HE21 GLN C 11 87.803 -18.158 10.270 1.00 0.00 H new ATOM 0 HE22 GLN C 11 88.924 -17.743 11.571 1.00 0.00 H new ATOM 174 N LEU C 12 84.454 -12.338 9.850 1.00 0.00 N ATOM 175 CA LEU C 12 83.944 -11.089 10.393 1.00 0.00 C ATOM 176 C LEU C 12 82.607 -11.305 11.091 1.00 0.00 C ATOM 177 O LEU C 12 81.693 -11.919 10.541 1.00 0.00 O ATOM 178 CB LEU C 12 83.765 -10.050 9.284 1.00 0.00 C ATOM 179 CG LEU C 12 85.116 -9.757 8.624 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.019 -8.456 7.826 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.195 -9.613 9.700 1.00 0.00 C ATOM 0 H LEU C 12 84.743 -12.292 8.873 1.00 0.00 H new ATOM 0 HA LEU C 12 84.673 -10.725 11.117 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.058 -10.417 8.540 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.345 -9.133 9.697 1.00 0.00 H new ATOM 0 HG LEU C 12 85.378 -10.578 7.957 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.979 -8.245 7.355 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.253 -8.557 7.057 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.756 -7.637 8.496 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.155 -9.405 9.227 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.934 -8.793 10.369 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.265 -10.539 10.271 1.00 0.00 H new ATOM 193 N THR C 13 82.502 -10.782 12.308 1.00 0.00 N ATOM 194 CA THR C 13 81.271 -10.909 13.079 1.00 0.00 C ATOM 195 C THR C 13 80.303 -9.794 12.699 1.00 0.00 C ATOM 196 O THR C 13 80.715 -8.707 12.296 1.00 0.00 O ATOM 197 CB THR C 13 81.566 -10.822 14.579 1.00 0.00 C ATOM 198 OG1 THR C 13 82.943 -11.091 14.804 1.00 0.00 O ATOM 199 CG2 THR C 13 80.714 -11.847 15.330 1.00 0.00 C ATOM 0 H THR C 13 83.248 -10.270 12.779 1.00 0.00 H new ATOM 0 HA THR C 13 80.826 -11.878 12.856 1.00 0.00 H new ATOM 0 HB THR C 13 81.326 -9.822 14.940 1.00 0.00 H new ATOM 0 HG1 THR C 13 83.135 -11.034 15.763 1.00 0.00 H new ATOM 0 HG21 THR C 13 80.925 -11.784 16.397 1.00 0.00 H new ATOM 0 HG22 THR C 13 79.658 -11.640 15.156 1.00 0.00 H new ATOM 0 HG23 THR C 13 80.951 -12.849 14.972 1.00 0.00 H new ATOM 207 N GLU C 14 79.011 -10.074 12.829 1.00 0.00 N ATOM 208 CA GLU C 14 77.996 -9.080 12.493 1.00 0.00 C ATOM 209 C GLU C 14 78.414 -7.704 13.004 1.00 0.00 C ATOM 210 O GLU C 14 78.039 -6.676 12.440 1.00 0.00 O ATOM 211 CB GLU C 14 76.649 -9.457 13.113 1.00 0.00 C ATOM 212 CG GLU C 14 76.695 -9.216 14.623 1.00 0.00 C ATOM 213 CD GLU C 14 75.945 -10.333 15.340 1.00 0.00 C ATOM 214 OE1 GLU C 14 75.959 -11.445 14.839 1.00 0.00 O ATOM 215 OE2 GLU C 14 75.368 -10.060 16.379 1.00 0.00 O ATOM 0 H GLU C 14 78.644 -10.967 13.159 1.00 0.00 H new ATOM 0 HA GLU C 14 77.897 -9.051 11.408 1.00 0.00 H new ATOM 0 HB2 GLU C 14 75.852 -8.865 12.664 1.00 0.00 H new ATOM 0 HB3 GLU C 14 76.423 -10.503 12.908 1.00 0.00 H new ATOM 0 HG2 GLU C 14 77.729 -9.181 14.965 1.00 0.00 H new ATOM 0 HG3 GLU C 14 76.247 -8.251 14.862 1.00 0.00 H new ATOM 222 N GLU C 15 79.197 -7.698 14.080 1.00 0.00 N ATOM 223 CA GLU C 15 79.665 -6.444 14.666 1.00 0.00 C ATOM 224 C GLU C 15 80.258 -5.540 13.591 1.00 0.00 C ATOM 225 O GLU C 15 79.665 -4.529 13.216 1.00 0.00 O ATOM 226 CB GLU C 15 80.729 -6.710 15.732 1.00 0.00 C ATOM 227 CG GLU C 15 80.231 -7.790 16.694 1.00 0.00 C ATOM 228 CD GLU C 15 80.098 -7.202 18.095 1.00 0.00 C ATOM 229 OE1 GLU C 15 79.034 -6.692 18.404 1.00 0.00 O ATOM 230 OE2 GLU C 15 81.063 -7.271 18.838 1.00 0.00 O ATOM 0 H GLU C 15 79.518 -8.538 14.560 1.00 0.00 H new ATOM 0 HA GLU C 15 78.808 -5.951 15.125 1.00 0.00 H new ATOM 0 HB2 GLU C 15 81.659 -7.029 15.261 1.00 0.00 H new ATOM 0 HB3 GLU C 15 80.947 -5.793 16.280 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.269 -8.176 16.357 1.00 0.00 H new ATOM 0 HG3 GLU C 15 80.925 -8.630 16.705 1.00 0.00 H new ATOM 237 N GLN C 16 81.439 -5.911 13.102 1.00 0.00 N ATOM 238 CA GLN C 16 82.102 -5.118 12.073 1.00 0.00 C ATOM 239 C GLN C 16 81.254 -5.105 10.800 1.00 0.00 C ATOM 240 O GLN C 16 81.130 -4.083 10.126 1.00 0.00 O ATOM 241 CB GLN C 16 83.519 -5.672 11.798 1.00 0.00 C ATOM 242 CG GLN C 16 83.646 -6.242 10.377 1.00 0.00 C ATOM 243 CD GLN C 16 85.119 -6.465 10.055 1.00 0.00 C ATOM 244 OE1 GLN C 16 85.816 -7.181 10.773 1.00 0.00 O ATOM 245 NE2 GLN C 16 85.642 -5.884 9.011 1.00 0.00 N ATOM 0 H GLN C 16 81.949 -6.743 13.397 1.00 0.00 H new ATOM 0 HA GLN C 16 82.208 -4.091 12.423 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.253 -4.878 11.937 1.00 0.00 H new ATOM 0 HB3 GLN C 16 83.751 -6.451 12.524 1.00 0.00 H new ATOM 0 HG2 GLN C 16 83.098 -7.181 10.299 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.204 -5.554 9.656 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.065 -5.290 8.415 1.00 0.00 H new ATOM 0 HE22 GLN C 16 86.628 -6.023 8.790 1.00 0.00 H new ATOM 254 N LYS C 17 80.669 -6.256 10.485 1.00 0.00 N ATOM 255 CA LYS C 17 79.829 -6.372 9.298 1.00 0.00 C ATOM 256 C LYS C 17 78.913 -5.155 9.180 1.00 0.00 C ATOM 257 O LYS C 17 78.487 -4.783 8.086 1.00 0.00 O ATOM 258 CB LYS C 17 78.970 -7.638 9.369 1.00 0.00 C ATOM 259 CG LYS C 17 79.875 -8.867 9.494 1.00 0.00 C ATOM 260 CD LYS C 17 80.389 -9.265 8.110 1.00 0.00 C ATOM 261 CE LYS C 17 79.332 -10.108 7.394 1.00 0.00 C ATOM 262 NZ LYS C 17 79.721 -10.284 5.966 1.00 0.00 N ATOM 0 H LYS C 17 80.759 -7.114 11.029 1.00 0.00 H new ATOM 0 HA LYS C 17 80.480 -6.427 8.426 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.294 -7.583 10.222 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.350 -7.720 8.476 1.00 0.00 H new ATOM 0 HG2 LYS C 17 80.713 -8.649 10.156 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.323 -9.694 9.940 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.616 -8.374 7.525 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.317 -9.829 8.204 1.00 0.00 H new ATOM 0 HE2 LYS C 17 79.237 -11.080 7.879 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.358 -9.622 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.003 -10.857 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 79.790 -9.353 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.642 -10.765 5.914 1.00 0.00 H new ATOM 276 N ASN C 18 78.614 -4.544 10.324 1.00 0.00 N ATOM 277 CA ASN C 18 77.746 -3.370 10.352 1.00 0.00 C ATOM 278 C ASN C 18 78.507 -2.116 9.925 1.00 0.00 C ATOM 279 O ASN C 18 78.159 -1.471 8.936 1.00 0.00 O ATOM 280 CB ASN C 18 77.187 -3.160 11.761 1.00 0.00 C ATOM 281 CG ASN C 18 76.325 -4.358 12.146 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.787 -5.046 11.279 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.161 -4.652 13.407 1.00 0.00 N ATOM 0 H ASN C 18 78.957 -4.840 11.238 1.00 0.00 H new ATOM 0 HA ASN C 18 76.928 -3.543 9.652 1.00 0.00 H new ATOM 0 HB2 ASN C 18 78.003 -3.040 12.474 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.595 -2.245 11.797 1.00 0.00 H new ATOM 0 HD21 ASN C 18 75.587 -5.452 13.674 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.607 -4.082 14.126 1.00 0.00 H new ATOM 290 N GLU C 19 79.546 -1.772 10.685 1.00 0.00 N ATOM 291 CA GLU C 19 80.342 -0.584 10.377 1.00 0.00 C ATOM 292 C GLU C 19 80.521 -0.430 8.870 1.00 0.00 C ATOM 293 O GLU C 19 80.572 0.684 8.348 1.00 0.00 O ATOM 294 CB GLU C 19 81.721 -0.662 11.041 1.00 0.00 C ATOM 295 CG GLU C 19 82.455 -1.925 10.591 1.00 0.00 C ATOM 296 CD GLU C 19 83.957 -1.666 10.596 1.00 0.00 C ATOM 297 OE1 GLU C 19 84.507 -1.501 11.673 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.537 -1.636 9.524 1.00 0.00 O ATOM 0 H GLU C 19 79.854 -2.291 11.508 1.00 0.00 H new ATOM 0 HA GLU C 19 79.805 0.281 10.767 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.307 0.220 10.782 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.611 -0.664 12.125 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.216 -2.755 11.256 1.00 0.00 H new ATOM 0 HG3 GLU C 19 82.128 -2.213 9.592 1.00 0.00 H new ATOM 305 N PHE C 20 80.616 -1.560 8.180 1.00 0.00 N ATOM 306 CA PHE C 20 80.790 -1.544 6.731 1.00 0.00 C ATOM 307 C PHE C 20 79.530 -1.019 6.054 1.00 0.00 C ATOM 308 O PHE C 20 79.547 0.026 5.402 1.00 0.00 O ATOM 309 CB PHE C 20 81.089 -2.951 6.212 1.00 0.00 C ATOM 310 CG PHE C 20 82.500 -3.004 5.677 1.00 0.00 C ATOM 311 CD1 PHE C 20 82.891 -2.138 4.648 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.418 -3.919 6.208 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.199 -2.188 4.149 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.725 -3.969 5.709 1.00 0.00 C ATOM 315 CZ PHE C 20 85.116 -3.103 4.680 1.00 0.00 C ATOM 0 H PHE C 20 80.576 -2.491 8.594 1.00 0.00 H new ATOM 0 HA PHE C 20 81.629 -0.889 6.497 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.966 -3.679 7.014 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.381 -3.218 5.427 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.184 -1.431 4.239 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.117 -4.586 7.002 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.500 -1.521 3.355 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.432 -4.676 6.118 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.125 -3.141 4.296 1.00 0.00 H new ATOM 325 N LYS C 21 78.433 -1.753 6.218 1.00 0.00 N ATOM 326 CA LYS C 21 77.165 -1.347 5.621 1.00 0.00 C ATOM 327 C LYS C 21 76.973 0.157 5.776 1.00 0.00 C ATOM 328 O LYS C 21 76.420 0.822 4.900 1.00 0.00 O ATOM 329 CB LYS C 21 75.998 -2.073 6.292 1.00 0.00 C ATOM 330 CG LYS C 21 76.223 -3.584 6.216 1.00 0.00 C ATOM 331 CD LYS C 21 74.895 -4.284 5.920 1.00 0.00 C ATOM 332 CE LYS C 21 75.040 -5.786 6.175 1.00 0.00 C ATOM 333 NZ LYS C 21 74.167 -6.536 5.227 1.00 0.00 N ATOM 0 H LYS C 21 78.396 -2.621 6.752 1.00 0.00 H new ATOM 0 HA LYS C 21 77.187 -1.608 4.563 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.911 -1.760 7.332 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.061 -1.809 5.801 1.00 0.00 H new ATOM 0 HG2 LYS C 21 76.950 -3.815 5.437 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.637 -3.948 7.156 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.107 -3.872 6.550 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.601 -4.107 4.885 1.00 0.00 H new ATOM 0 HE2 LYS C 21 76.079 -6.089 6.047 1.00 0.00 H new ATOM 0 HE3 LYS C 21 74.764 -6.020 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 74.264 -7.557 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 73.176 -6.254 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 74.451 -6.321 4.250 1.00 0.00 H new ATOM 347 N ALA C 22 77.442 0.686 6.903 1.00 0.00 N ATOM 348 CA ALA C 22 77.324 2.117 7.170 1.00 0.00 C ATOM 349 C ALA C 22 78.008 2.919 6.068 1.00 0.00 C ATOM 350 O ALA C 22 77.387 3.759 5.416 1.00 0.00 O ATOM 351 CB ALA C 22 77.964 2.467 8.515 1.00 0.00 C ATOM 0 H ALA C 22 77.903 0.152 7.640 1.00 0.00 H new ATOM 0 HA ALA C 22 76.264 2.369 7.200 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.866 3.537 8.697 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.462 1.917 9.311 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.020 2.197 8.497 1.00 0.00 H new ATOM 357 N ALA C 23 79.295 2.649 5.864 1.00 0.00 N ATOM 358 CA ALA C 23 80.052 3.351 4.832 1.00 0.00 C ATOM 359 C ALA C 23 79.424 3.107 3.464 1.00 0.00 C ATOM 360 O ALA C 23 79.585 3.903 2.539 1.00 0.00 O ATOM 361 CB ALA C 23 81.504 2.875 4.809 1.00 0.00 C ATOM 0 H ALA C 23 79.829 1.959 6.392 1.00 0.00 H new ATOM 0 HA ALA C 23 80.030 4.416 5.062 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.050 3.411 4.033 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.966 3.069 5.777 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.533 1.806 4.601 1.00 0.00 H new ATOM 367 N PHE C 24 78.700 1.997 3.351 1.00 0.00 N ATOM 368 CA PHE C 24 78.040 1.658 2.094 1.00 0.00 C ATOM 369 C PHE C 24 76.944 2.673 1.798 1.00 0.00 C ATOM 370 O PHE C 24 76.575 2.896 0.645 1.00 0.00 O ATOM 371 CB PHE C 24 77.424 0.259 2.168 1.00 0.00 C ATOM 372 CG PHE C 24 78.131 -0.656 1.198 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.108 -0.374 -0.173 1.00 0.00 C ATOM 374 CD2 PHE C 24 78.811 -1.785 1.669 1.00 0.00 C ATOM 375 CE1 PHE C 24 78.765 -1.222 -1.073 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.468 -2.633 0.769 1.00 0.00 C ATOM 377 CZ PHE C 24 79.445 -2.351 -0.602 1.00 0.00 C ATOM 0 H PHE C 24 78.556 1.324 4.104 1.00 0.00 H new ATOM 0 HA PHE C 24 78.785 1.675 1.299 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.508 -0.133 3.181 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.361 0.305 1.931 1.00 0.00 H new ATOM 0 HD1 PHE C 24 77.584 0.497 -0.536 1.00 0.00 H new ATOM 0 HD2 PHE C 24 78.829 -2.002 2.727 1.00 0.00 H new ATOM 0 HE1 PHE C 24 78.747 -1.005 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE C 24 79.992 -3.504 1.132 1.00 0.00 H new ATOM 0 HZ PHE C 24 79.952 -3.005 -1.296 1.00 0.00 H new ATOM 387 N ASP C 25 76.435 3.294 2.859 1.00 0.00 N ATOM 388 CA ASP C 25 75.386 4.297 2.714 1.00 0.00 C ATOM 389 C ASP C 25 75.994 5.652 2.361 1.00 0.00 C ATOM 390 O ASP C 25 75.279 6.631 2.147 1.00 0.00 O ATOM 391 CB ASP C 25 74.586 4.433 4.011 1.00 0.00 C ATOM 392 CG ASP C 25 73.630 3.253 4.147 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.903 2.994 3.203 1.00 0.00 O ATOM 394 OD2 ASP C 25 73.640 2.626 5.193 1.00 0.00 O ATOM 0 H ASP C 25 76.729 3.122 3.820 1.00 0.00 H new ATOM 0 HA ASP C 25 74.721 3.974 1.913 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.262 4.467 4.865 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.027 5.369 4.009 1.00 0.00 H new ATOM 399 N ILE C 26 77.325 5.698 2.295 1.00 0.00 N ATOM 400 CA ILE C 26 78.017 6.940 1.958 1.00 0.00 C ATOM 401 C ILE C 26 78.706 6.798 0.607 1.00 0.00 C ATOM 402 O ILE C 26 78.594 7.666 -0.259 1.00 0.00 O ATOM 403 CB ILE C 26 79.062 7.318 3.014 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.947 6.391 4.225 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.826 8.762 3.460 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.664 6.704 4.996 1.00 0.00 C ATOM 0 H ILE C 26 77.938 4.901 2.468 1.00 0.00 H new ATOM 0 HA ILE C 26 77.268 7.731 1.921 1.00 0.00 H new ATOM 0 HB ILE C 26 80.058 7.218 2.583 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.942 5.351 3.899 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.813 6.517 4.875 1.00 0.00 H new ATOM 0 HG21 ILE C 26 79.567 9.036 4.211 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.916 9.427 2.601 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.827 8.853 3.886 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.586 6.041 5.858 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.687 7.739 5.336 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.803 6.555 4.345 1.00 0.00 H new ATOM 418 N PHE C 27 79.412 5.684 0.434 1.00 0.00 N ATOM 419 CA PHE C 27 80.106 5.424 -0.823 1.00 0.00 C ATOM 420 C PHE C 27 79.115 5.493 -1.979 1.00 0.00 C ATOM 421 O PHE C 27 79.492 5.692 -3.134 1.00 0.00 O ATOM 422 CB PHE C 27 80.752 4.038 -0.804 1.00 0.00 C ATOM 423 CG PHE C 27 82.097 4.112 -0.121 1.00 0.00 C ATOM 424 CD1 PHE C 27 82.197 4.623 1.179 1.00 0.00 C ATOM 425 CD2 PHE C 27 83.244 3.665 -0.787 1.00 0.00 C ATOM 426 CE1 PHE C 27 83.444 4.688 1.811 1.00 0.00 C ATOM 427 CE2 PHE C 27 84.490 3.730 -0.155 1.00 0.00 C ATOM 428 CZ PHE C 27 84.591 4.242 1.144 1.00 0.00 C ATOM 0 H PHE C 27 79.518 4.955 1.139 1.00 0.00 H new ATOM 0 HA PHE C 27 80.883 6.178 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE C 27 80.106 3.332 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.870 3.667 -1.822 1.00 0.00 H new ATOM 0 HD1 PHE C 27 81.312 4.967 1.694 1.00 0.00 H new ATOM 0 HD2 PHE C 27 83.167 3.270 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.521 5.082 2.813 1.00 0.00 H new ATOM 0 HE2 PHE C 27 85.375 3.385 -0.669 1.00 0.00 H new ATOM 0 HZ PHE C 27 85.553 4.293 1.631 1.00 0.00 H new ATOM 438 N VAL C 28 77.839 5.325 -1.645 1.00 0.00 N ATOM 439 CA VAL C 28 76.780 5.367 -2.647 1.00 0.00 C ATOM 440 C VAL C 28 75.514 5.969 -2.048 1.00 0.00 C ATOM 441 O VAL C 28 74.416 5.442 -2.223 1.00 0.00 O ATOM 442 CB VAL C 28 76.467 3.958 -3.154 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.614 3.468 -4.040 1.00 0.00 C ATOM 444 CG2 VAL C 28 76.306 3.013 -1.960 1.00 0.00 C ATOM 0 H VAL C 28 77.514 5.159 -0.692 1.00 0.00 H new ATOM 0 HA VAL C 28 77.123 5.983 -3.478 1.00 0.00 H new ATOM 0 HB VAL C 28 75.543 3.976 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.391 2.464 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.731 4.142 -4.889 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.538 3.449 -3.462 1.00 0.00 H new ATOM 0 HG21 VAL C 28 76.083 2.008 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL C 28 77.230 2.995 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL C 28 75.490 3.362 -1.327 1.00 0.00 H new ATOM 454 N LEU C 29 75.682 7.080 -1.334 1.00 0.00 N ATOM 455 CA LEU C 29 74.545 7.747 -0.706 1.00 0.00 C ATOM 456 C LEU C 29 73.692 8.459 -1.758 1.00 0.00 C ATOM 457 O LEU C 29 72.604 8.955 -1.465 1.00 0.00 O ATOM 458 CB LEU C 29 75.032 8.752 0.354 1.00 0.00 C ATOM 459 CG LEU C 29 75.263 10.131 -0.275 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.933 10.884 -0.348 1.00 0.00 C ATOM 461 CD2 LEU C 29 76.251 10.925 0.582 1.00 0.00 C ATOM 0 H LEU C 29 76.583 7.532 -1.177 1.00 0.00 H new ATOM 0 HA LEU C 29 73.931 6.992 -0.216 1.00 0.00 H new ATOM 0 HB2 LEU C 29 74.296 8.830 1.154 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.957 8.393 0.806 1.00 0.00 H new ATOM 0 HG LEU C 29 75.670 10.010 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU C 29 74.094 11.865 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU C 29 73.228 10.319 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.528 11.005 0.657 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.415 11.905 0.134 1.00 0.00 H new ATOM 0 HD22 LEU C 29 75.845 11.048 1.586 1.00 0.00 H new ATOM 0 HD23 LEU C 29 77.198 10.388 0.637 1.00 0.00 H new ATOM 473 N GLY C 30 74.203 8.500 -2.984 1.00 0.00 N ATOM 474 CA GLY C 30 73.488 9.150 -4.080 1.00 0.00 C ATOM 475 C GLY C 30 73.467 8.259 -5.320 1.00 0.00 C ATOM 476 O GLY C 30 72.974 8.655 -6.376 1.00 0.00 O ATOM 0 H GLY C 30 75.102 8.095 -3.244 1.00 0.00 H new ATOM 0 HA2 GLY C 30 72.467 9.375 -3.771 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.965 10.101 -4.318 1.00 0.00 H new ATOM 480 N ALA C 31 74.004 7.050 -5.178 1.00 0.00 N ATOM 481 CA ALA C 31 74.039 6.106 -6.290 1.00 0.00 C ATOM 482 C ALA C 31 72.679 5.451 -6.469 1.00 0.00 C ATOM 483 O ALA C 31 71.709 5.795 -5.793 1.00 0.00 O ATOM 484 CB ALA C 31 75.089 5.022 -6.040 1.00 0.00 C ATOM 0 H ALA C 31 74.417 6.704 -4.312 1.00 0.00 H new ATOM 0 HA ALA C 31 74.299 6.657 -7.194 1.00 0.00 H new ATOM 0 HB1 ALA C 31 75.101 4.327 -6.879 1.00 0.00 H new ATOM 0 HB2 ALA C 31 76.071 5.484 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.844 4.482 -5.125 1.00 0.00 H new ATOM 490 N GLU C 32 72.620 4.507 -7.396 1.00 0.00 N ATOM 491 CA GLU C 32 71.377 3.805 -7.677 1.00 0.00 C ATOM 492 C GLU C 32 71.098 2.756 -6.605 1.00 0.00 C ATOM 493 O GLU C 32 70.191 2.913 -5.787 1.00 0.00 O ATOM 494 CB GLU C 32 71.466 3.130 -9.042 1.00 0.00 C ATOM 495 CG GLU C 32 70.060 2.783 -9.537 1.00 0.00 C ATOM 496 CD GLU C 32 70.146 1.674 -10.580 1.00 0.00 C ATOM 497 OE1 GLU C 32 71.253 1.287 -10.916 1.00 0.00 O ATOM 498 OE2 GLU C 32 69.102 1.227 -11.029 1.00 0.00 O ATOM 0 H GLU C 32 73.414 4.210 -7.964 1.00 0.00 H new ATOM 0 HA GLU C 32 70.562 4.528 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU C 32 71.960 3.791 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU C 32 72.071 2.226 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.438 2.463 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU C 32 69.587 3.665 -9.967 1.00 0.00 H new ATOM 505 N ASP C 33 71.887 1.685 -6.613 1.00 0.00 N ATOM 506 CA ASP C 33 71.712 0.620 -5.630 1.00 0.00 C ATOM 507 C ASP C 33 72.901 0.578 -4.675 1.00 0.00 C ATOM 508 O ASP C 33 72.762 0.831 -3.478 1.00 0.00 O ATOM 509 CB ASP C 33 71.573 -0.739 -6.321 1.00 0.00 C ATOM 510 CG ASP C 33 72.456 -0.777 -7.562 1.00 0.00 C ATOM 511 OD1 ASP C 33 73.664 -0.812 -7.403 1.00 0.00 O ATOM 512 OD2 ASP C 33 71.911 -0.773 -8.654 1.00 0.00 O ATOM 0 H ASP C 33 72.644 1.532 -7.279 1.00 0.00 H new ATOM 0 HA ASP C 33 70.802 0.829 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP C 33 71.858 -1.537 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP C 33 70.533 -0.913 -6.597 1.00 0.00 H new ATOM 517 N GLY C 34 74.074 0.258 -5.216 1.00 0.00 N ATOM 518 CA GLY C 34 75.282 0.190 -4.399 1.00 0.00 C ATOM 519 C GLY C 34 76.528 0.244 -5.275 1.00 0.00 C ATOM 520 O GLY C 34 77.477 -0.514 -5.077 1.00 0.00 O ATOM 0 H GLY C 34 74.213 0.044 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.294 1.017 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.281 -0.731 -3.815 1.00 0.00 H new ATOM 524 N CYS C 35 76.515 1.152 -6.247 1.00 0.00 N ATOM 525 CA CYS C 35 77.652 1.298 -7.151 1.00 0.00 C ATOM 526 C CYS C 35 78.398 2.595 -6.866 1.00 0.00 C ATOM 527 O CYS C 35 77.824 3.684 -6.911 1.00 0.00 O ATOM 528 CB CYS C 35 77.190 1.308 -8.609 1.00 0.00 C ATOM 529 SG CYS C 35 75.785 0.186 -8.812 1.00 0.00 S ATOM 0 H CYS C 35 75.740 1.790 -6.428 1.00 0.00 H new ATOM 0 HA CYS C 35 78.315 0.448 -6.986 1.00 0.00 H new ATOM 0 HB2 CYS C 35 76.906 2.318 -8.904 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.008 1.003 -9.262 1.00 0.00 H new ATOM 0 HG CYS C 35 74.961 0.338 -7.818 1.00 0.00 H new ATOM 535 N ILE C 36 79.688 2.465 -6.577 1.00 0.00 N ATOM 536 CA ILE C 36 80.515 3.633 -6.291 1.00 0.00 C ATOM 537 C ILE C 36 81.281 4.056 -7.539 1.00 0.00 C ATOM 538 O ILE C 36 81.569 3.241 -8.416 1.00 0.00 O ATOM 539 CB ILE C 36 81.517 3.324 -5.179 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.848 2.453 -4.114 1.00 0.00 C ATOM 541 CG2 ILE C 36 81.991 4.632 -4.542 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.923 1.776 -3.261 1.00 0.00 C ATOM 0 H ILE C 36 80.180 1.573 -6.535 1.00 0.00 H new ATOM 0 HA ILE C 36 79.856 4.440 -5.971 1.00 0.00 H new ATOM 0 HB ILE C 36 82.371 2.792 -5.599 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.200 3.063 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.217 1.701 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.706 4.412 -3.749 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.469 5.253 -5.299 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.136 5.163 -4.123 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.447 1.155 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.553 1.154 -3.896 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.535 2.536 -2.776 1.00 0.00 H new ATOM 554 N SER C 37 81.608 5.342 -7.608 1.00 0.00 N ATOM 555 CA SER C 37 82.345 5.870 -8.752 1.00 0.00 C ATOM 556 C SER C 37 83.574 6.638 -8.278 1.00 0.00 C ATOM 557 O SER C 37 83.960 6.560 -7.111 1.00 0.00 O ATOM 558 CB SER C 37 81.459 6.807 -9.574 1.00 0.00 C ATOM 559 OG SER C 37 82.112 7.115 -10.799 1.00 0.00 O ATOM 0 H SER C 37 81.378 6.033 -6.894 1.00 0.00 H new ATOM 0 HA SER C 37 82.655 5.029 -9.373 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.496 6.336 -9.770 1.00 0.00 H new ATOM 0 HB3 SER C 37 81.259 7.721 -9.015 1.00 0.00 H new ATOM 0 HG SER C 37 81.546 7.714 -11.330 1.00 0.00 H new ATOM 565 N THR C 38 84.184 7.382 -9.196 1.00 0.00 N ATOM 566 CA THR C 38 85.370 8.165 -8.860 1.00 0.00 C ATOM 567 C THR C 38 84.964 9.508 -8.265 1.00 0.00 C ATOM 568 O THR C 38 85.613 10.024 -7.355 1.00 0.00 O ATOM 569 CB THR C 38 86.223 8.410 -10.106 1.00 0.00 C ATOM 570 OG1 THR C 38 85.713 9.532 -10.813 1.00 0.00 O ATOM 571 CG2 THR C 38 86.185 7.175 -11.007 1.00 0.00 C ATOM 0 H THR C 38 83.882 7.460 -10.167 1.00 0.00 H new ATOM 0 HA THR C 38 85.951 7.601 -8.130 1.00 0.00 H new ATOM 0 HB THR C 38 87.253 8.605 -9.808 1.00 0.00 H new ATOM 0 HG1 THR C 38 86.259 9.692 -11.611 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.794 7.353 -11.894 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.578 6.316 -10.463 1.00 0.00 H new ATOM 0 HG23 THR C 38 85.156 6.975 -11.307 1.00 0.00 H new ATOM 579 N LYS C 39 83.878 10.066 -8.792 1.00 0.00 N ATOM 580 CA LYS C 39 83.383 11.351 -8.311 1.00 0.00 C ATOM 581 C LYS C 39 82.573 11.162 -7.032 1.00 0.00 C ATOM 582 O LYS C 39 82.568 12.020 -6.150 1.00 0.00 O ATOM 583 CB LYS C 39 82.498 12.011 -9.370 1.00 0.00 C ATOM 584 CG LYS C 39 82.568 13.531 -9.219 1.00 0.00 C ATOM 585 CD LYS C 39 81.568 14.185 -10.175 1.00 0.00 C ATOM 586 CE LYS C 39 81.315 15.628 -9.737 1.00 0.00 C ATOM 587 NZ LYS C 39 82.429 16.494 -10.216 1.00 0.00 N ATOM 0 H LYS C 39 83.328 9.653 -9.545 1.00 0.00 H new ATOM 0 HA LYS C 39 84.242 11.990 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.827 11.719 -10.367 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.468 11.671 -9.261 1.00 0.00 H new ATOM 0 HG2 LYS C 39 82.344 13.816 -8.191 1.00 0.00 H new ATOM 0 HG3 LYS C 39 83.577 13.883 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS C 39 81.956 14.165 -11.194 1.00 0.00 H new ATOM 0 HD3 LYS C 39 80.633 13.625 -10.179 1.00 0.00 H new ATOM 0 HE2 LYS C 39 80.366 15.981 -10.141 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.239 15.682 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 82.258 17.476 -9.919 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 83.327 16.161 -9.810 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 82.481 16.451 -11.254 1.00 0.00 H new ATOM 601 N GLU C 40 81.887 10.026 -6.946 1.00 0.00 N ATOM 602 CA GLU C 40 81.070 9.725 -5.773 1.00 0.00 C ATOM 603 C GLU C 40 81.954 9.475 -4.555 1.00 0.00 C ATOM 604 O GLU C 40 81.925 10.230 -3.583 1.00 0.00 O ATOM 605 CB GLU C 40 80.209 8.485 -6.025 1.00 0.00 C ATOM 606 CG GLU C 40 78.803 8.715 -5.465 1.00 0.00 C ATOM 607 CD GLU C 40 78.040 9.665 -6.382 1.00 0.00 C ATOM 608 OE1 GLU C 40 78.593 10.697 -6.725 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.914 9.347 -6.727 1.00 0.00 O ATOM 0 H GLU C 40 81.879 9.304 -7.667 1.00 0.00 H new ATOM 0 HA GLU C 40 80.426 10.584 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.156 8.277 -7.094 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.662 7.613 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.273 7.766 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.864 9.133 -4.460 1.00 0.00 H new ATOM 616 N LEU C 41 82.737 8.403 -4.619 1.00 0.00 N ATOM 617 CA LEU C 41 83.627 8.053 -3.515 1.00 0.00 C ATOM 618 C LEU C 41 84.240 9.306 -2.897 1.00 0.00 C ATOM 619 O LEU C 41 84.186 9.508 -1.684 1.00 0.00 O ATOM 620 CB LEU C 41 84.753 7.141 -4.004 1.00 0.00 C ATOM 621 CG LEU C 41 85.678 6.804 -2.834 1.00 0.00 C ATOM 622 CD1 LEU C 41 84.853 6.240 -1.675 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.706 5.763 -3.282 1.00 0.00 C ATOM 0 H LEU C 41 82.775 7.766 -5.415 1.00 0.00 H new ATOM 0 HA LEU C 41 83.034 7.532 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.337 6.227 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU C 41 85.316 7.633 -4.797 1.00 0.00 H new ATOM 0 HG LEU C 41 86.193 7.707 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.513 6.000 -0.841 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.120 6.981 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.337 5.337 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.366 5.522 -2.449 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.191 4.860 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.295 6.164 -4.107 1.00 0.00 H new ATOM 635 N GLY C 42 84.829 10.143 -3.746 1.00 0.00 N ATOM 636 CA GLY C 42 85.457 11.375 -3.276 1.00 0.00 C ATOM 637 C GLY C 42 84.634 12.020 -2.165 1.00 0.00 C ATOM 638 O GLY C 42 85.178 12.628 -1.243 1.00 0.00 O ATOM 0 H GLY C 42 84.885 9.994 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.461 11.159 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.563 12.073 -4.107 1.00 0.00 H new ATOM 642 N LYS C 43 83.315 11.884 -2.265 1.00 0.00 N ATOM 643 CA LYS C 43 82.419 12.462 -1.265 1.00 0.00 C ATOM 644 C LYS C 43 82.653 11.823 0.101 1.00 0.00 C ATOM 645 O LYS C 43 82.627 12.498 1.130 1.00 0.00 O ATOM 646 CB LYS C 43 80.959 12.252 -1.670 1.00 0.00 C ATOM 647 CG LYS C 43 80.571 13.282 -2.732 1.00 0.00 C ATOM 648 CD LYS C 43 79.064 13.540 -2.669 1.00 0.00 C ATOM 649 CE LYS C 43 78.768 14.960 -3.154 1.00 0.00 C ATOM 650 NZ LYS C 43 77.600 15.506 -2.407 1.00 0.00 N ATOM 0 H LYS C 43 82.845 11.384 -3.020 1.00 0.00 H new ATOM 0 HA LYS C 43 82.630 13.530 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.820 11.243 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.311 12.350 -0.799 1.00 0.00 H new ATOM 0 HG2 LYS C 43 81.117 14.211 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.847 12.920 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS C 43 78.534 12.815 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.705 13.411 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS C 43 79.640 15.597 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS C 43 78.559 14.954 -4.224 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.398 16.472 -2.736 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 76.769 14.903 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.817 15.525 -1.390 1.00 0.00 H new ATOM 664 N VAL C 44 82.882 10.513 0.097 1.00 0.00 N ATOM 665 CA VAL C 44 83.120 9.786 1.343 1.00 0.00 C ATOM 666 C VAL C 44 84.529 10.062 1.860 1.00 0.00 C ATOM 667 O VAL C 44 84.738 10.257 3.057 1.00 0.00 O ATOM 668 CB VAL C 44 82.954 8.282 1.124 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.336 7.532 2.402 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.496 7.978 0.773 1.00 0.00 C ATOM 0 H VAL C 44 82.908 9.937 -0.744 1.00 0.00 H new ATOM 0 HA VAL C 44 82.391 10.128 2.077 1.00 0.00 H new ATOM 0 HB VAL C 44 83.602 7.961 0.308 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.217 6.460 2.244 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.374 7.749 2.655 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.689 7.852 3.219 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.375 6.906 0.616 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.850 8.300 1.590 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.222 8.511 -0.138 1.00 0.00 H new ATOM 680 N MET C 45 85.492 10.078 0.943 1.00 0.00 N ATOM 681 CA MET C 45 86.881 10.332 1.317 1.00 0.00 C ATOM 682 C MET C 45 87.006 11.693 1.994 1.00 0.00 C ATOM 683 O MET C 45 87.650 11.829 3.035 1.00 0.00 O ATOM 684 CB MET C 45 87.782 10.306 0.081 1.00 0.00 C ATOM 685 CG MET C 45 87.612 8.970 -0.645 1.00 0.00 C ATOM 686 SD MET C 45 89.090 7.956 -0.396 1.00 0.00 S ATOM 687 CE MET C 45 88.941 7.776 1.398 1.00 0.00 C ATOM 0 H MET C 45 85.340 9.920 -0.053 1.00 0.00 H new ATOM 0 HA MET C 45 87.193 9.550 2.009 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.527 11.130 -0.586 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.823 10.443 0.373 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.732 8.448 -0.268 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.450 9.140 -1.709 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.619 6.996 1.743 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.197 8.719 1.881 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.916 7.505 1.653 1.00 0.00 H new ATOM 697 N ARG C 46 86.380 12.698 1.390 1.00 0.00 N ATOM 698 CA ARG C 46 86.421 14.051 1.938 1.00 0.00 C ATOM 699 C ARG C 46 85.769 14.084 3.315 1.00 0.00 C ATOM 700 O ARG C 46 85.969 15.019 4.091 1.00 0.00 O ATOM 701 CB ARG C 46 85.680 15.020 1.015 1.00 0.00 C ATOM 702 CG ARG C 46 84.217 14.589 0.894 1.00 0.00 C ATOM 703 CD ARG C 46 83.361 15.790 0.488 1.00 0.00 C ATOM 704 NE ARG C 46 83.060 16.624 1.649 1.00 0.00 N ATOM 705 CZ ARG C 46 82.194 17.630 1.563 1.00 0.00 C ATOM 706 NH1 ARG C 46 81.604 17.887 0.428 1.00 0.00 N ATOM 707 NH2 ARG C 46 81.936 18.361 2.612 1.00 0.00 N ATOM 0 H ARG C 46 85.842 12.604 0.528 1.00 0.00 H new ATOM 0 HA ARG C 46 87.465 14.352 2.021 1.00 0.00 H new ATOM 0 HB2 ARG C 46 85.740 16.034 1.410 1.00 0.00 H new ATOM 0 HB3 ARG C 46 86.149 15.033 0.031 1.00 0.00 H new ATOM 0 HG2 ARG C 46 84.121 13.794 0.154 1.00 0.00 H new ATOM 0 HG3 ARG C 46 83.867 14.184 1.843 1.00 0.00 H new ATOM 0 HD2 ARG C 46 83.886 16.380 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG C 46 82.433 15.444 0.032 1.00 0.00 H new ATOM 0 HE ARG C 46 83.521 16.432 2.539 1.00 0.00 H new ATOM 0 HH11 ARG C 46 81.807 17.317 -0.393 1.00 0.00 H new ATOM 0 HH12 ARG C 46 80.940 18.658 0.362 1.00 0.00 H new ATOM 0 HH21 ARG C 46 82.398 18.161 3.499 1.00 0.00 H new ATOM 0 HH22 ARG C 46 81.272 19.132 2.545 1.00 0.00 H new ATOM 721 N MET C 47 84.983 13.053 3.607 1.00 0.00 N ATOM 722 CA MET C 47 84.297 12.970 4.892 1.00 0.00 C ATOM 723 C MET C 47 85.225 12.409 5.966 1.00 0.00 C ATOM 724 O MET C 47 84.930 12.481 7.159 1.00 0.00 O ATOM 725 CB MET C 47 83.064 12.071 4.780 1.00 0.00 C ATOM 726 CG MET C 47 81.819 12.936 4.572 1.00 0.00 C ATOM 727 SD MET C 47 80.696 12.723 5.975 1.00 0.00 S ATOM 728 CE MET C 47 80.078 11.085 5.522 1.00 0.00 C ATOM 0 H MET C 47 84.806 12.270 2.978 1.00 0.00 H new ATOM 0 HA MET C 47 83.991 13.978 5.173 1.00 0.00 H new ATOM 0 HB2 MET C 47 83.181 11.377 3.947 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.956 11.470 5.683 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.103 13.984 4.476 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.318 12.655 3.646 1.00 0.00 H new ATOM 0 HE1 MET C 47 79.932 10.489 6.423 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.129 11.187 4.996 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.801 10.590 4.873 1.00 0.00 H new ATOM 738 N LEU C 48 86.351 11.850 5.530 1.00 0.00 N ATOM 739 CA LEU C 48 87.318 11.279 6.468 1.00 0.00 C ATOM 740 C LEU C 48 88.513 12.212 6.639 1.00 0.00 C ATOM 741 O LEU C 48 89.336 12.030 7.537 1.00 0.00 O ATOM 742 CB LEU C 48 87.822 9.919 5.975 1.00 0.00 C ATOM 743 CG LEU C 48 86.782 9.279 5.053 1.00 0.00 C ATOM 744 CD1 LEU C 48 87.215 7.854 4.706 1.00 0.00 C ATOM 745 CD2 LEU C 48 85.426 9.240 5.761 1.00 0.00 C ATOM 0 H LEU C 48 86.616 11.780 4.547 1.00 0.00 H new ATOM 0 HA LEU C 48 86.811 11.151 7.424 1.00 0.00 H new ATOM 0 HB2 LEU C 48 88.765 10.043 5.443 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.019 9.265 6.824 1.00 0.00 H new ATOM 0 HG LEU C 48 86.698 9.867 4.139 1.00 0.00 H new ATOM 0 HD11 LEU C 48 86.474 7.398 4.049 1.00 0.00 H new ATOM 0 HD12 LEU C 48 88.181 7.880 4.201 1.00 0.00 H new ATOM 0 HD13 LEU C 48 87.300 7.267 5.620 1.00 0.00 H new ATOM 0 HD21 LEU C 48 84.685 8.784 5.104 1.00 0.00 H new ATOM 0 HD22 LEU C 48 85.510 8.653 6.676 1.00 0.00 H new ATOM 0 HD23 LEU C 48 85.115 10.255 6.008 1.00 0.00 H new ATOM 757 N GLY C 49 88.602 13.211 5.766 1.00 0.00 N ATOM 758 CA GLY C 49 89.704 14.168 5.826 1.00 0.00 C ATOM 759 C GLY C 49 90.634 13.996 4.629 1.00 0.00 C ATOM 760 O GLY C 49 91.727 14.562 4.588 1.00 0.00 O ATOM 0 H GLY C 49 87.932 13.379 5.015 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.309 15.184 5.843 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.264 14.028 6.751 1.00 0.00 H new ATOM 764 N GLN C 50 90.188 13.208 3.654 1.00 0.00 N ATOM 765 CA GLN C 50 90.986 12.966 2.455 1.00 0.00 C ATOM 766 C GLN C 50 90.456 13.797 1.293 1.00 0.00 C ATOM 767 O GLN C 50 89.249 13.887 1.076 1.00 0.00 O ATOM 768 CB GLN C 50 90.941 11.485 2.070 1.00 0.00 C ATOM 769 CG GLN C 50 91.695 10.662 3.115 1.00 0.00 C ATOM 770 CD GLN C 50 93.046 10.236 2.552 1.00 0.00 C ATOM 771 OE1 GLN C 50 93.135 9.266 1.799 1.00 0.00 O ATOM 772 NE2 GLN C 50 94.115 10.912 2.873 1.00 0.00 N ATOM 0 H GLN C 50 89.287 12.730 3.669 1.00 0.00 H new ATOM 0 HA GLN C 50 92.016 13.252 2.670 1.00 0.00 H new ATOM 0 HB2 GLN C 50 89.907 11.147 2.003 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.388 11.340 1.086 1.00 0.00 H new ATOM 0 HG2 GLN C 50 91.836 11.249 4.022 1.00 0.00 H new ATOM 0 HG3 GLN C 50 91.111 9.784 3.391 1.00 0.00 H new ATOM 0 HE21 GLN C 50 94.042 11.716 3.497 1.00 0.00 H new ATOM 0 HE22 GLN C 50 95.024 10.637 2.500 1.00 0.00 H new ATOM 781 N ASN C 51 91.373 14.404 0.546 1.00 0.00 N ATOM 782 CA ASN C 51 90.983 15.229 -0.594 1.00 0.00 C ATOM 783 C ASN C 51 91.601 14.695 -1.881 1.00 0.00 C ATOM 784 O ASN C 51 92.550 15.269 -2.415 1.00 0.00 O ATOM 785 CB ASN C 51 91.434 16.676 -0.387 1.00 0.00 C ATOM 786 CG ASN C 51 90.831 17.556 -1.476 1.00 0.00 C ATOM 787 OD1 ASN C 51 89.914 18.336 -1.216 1.00 0.00 O ATOM 788 ND2 ASN C 51 91.296 17.479 -2.692 1.00 0.00 N ATOM 0 H ASN C 51 92.379 14.342 0.706 1.00 0.00 H new ATOM 0 HA ASN C 51 89.897 15.195 -0.675 1.00 0.00 H new ATOM 0 HB2 ASN C 51 91.121 17.029 0.596 1.00 0.00 H new ATOM 0 HB3 ASN C 51 92.522 16.737 -0.416 1.00 0.00 H new ATOM 0 HD21 ASN C 51 90.900 18.065 -3.427 1.00 0.00 H new ATOM 0 HD22 ASN C 51 92.055 16.833 -2.908 1.00 0.00 H new ATOM 795 N PRO C 52 91.060 13.591 -2.390 1.00 0.00 N ATOM 796 CA PRO C 52 91.550 12.968 -3.631 1.00 0.00 C ATOM 797 C PRO C 52 90.995 13.649 -4.879 1.00 0.00 C ATOM 798 O PRO C 52 90.405 14.726 -4.804 1.00 0.00 O ATOM 799 CB PRO C 52 91.018 11.547 -3.507 1.00 0.00 C ATOM 800 CG PRO C 52 89.813 11.602 -2.573 1.00 0.00 C ATOM 801 CD PRO C 52 89.923 12.895 -1.759 1.00 0.00 C ATOM 0 HA PRO C 52 92.632 13.034 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.732 11.156 -4.483 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.784 10.882 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.884 11.585 -3.143 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.798 10.734 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO C 52 89.008 13.485 -1.814 1.00 0.00 H new ATOM 0 HD3 PRO C 52 90.109 12.693 -0.704 1.00 0.00 H new ATOM 809 N THR C 53 91.187 13.008 -6.027 1.00 0.00 N ATOM 810 CA THR C 53 90.696 13.564 -7.282 1.00 0.00 C ATOM 811 C THR C 53 89.948 12.498 -8.072 1.00 0.00 C ATOM 812 O THR C 53 89.953 11.321 -7.714 1.00 0.00 O ATOM 813 CB THR C 53 91.857 14.088 -8.129 1.00 0.00 C ATOM 814 OG1 THR C 53 93.087 13.664 -7.557 1.00 0.00 O ATOM 815 CG2 THR C 53 91.813 15.616 -8.173 1.00 0.00 C ATOM 0 H THR C 53 91.672 12.115 -6.115 1.00 0.00 H new ATOM 0 HA THR C 53 90.022 14.387 -7.046 1.00 0.00 H new ATOM 0 HB THR C 53 91.772 13.696 -9.143 1.00 0.00 H new ATOM 0 HG1 THR C 53 93.832 13.997 -8.099 1.00 0.00 H new ATOM 0 HG21 THR C 53 92.641 15.987 -8.777 1.00 0.00 H new ATOM 0 HG22 THR C 53 90.870 15.940 -8.613 1.00 0.00 H new ATOM 0 HG23 THR C 53 91.897 16.012 -7.161 1.00 0.00 H new ATOM 823 N PRO C 54 89.305 12.906 -9.160 1.00 0.00 N ATOM 824 CA PRO C 54 88.548 11.984 -10.022 1.00 0.00 C ATOM 825 C PRO C 54 89.459 11.198 -10.963 1.00 0.00 C ATOM 826 O PRO C 54 89.050 10.204 -11.564 1.00 0.00 O ATOM 827 CB PRO C 54 87.641 12.935 -10.795 1.00 0.00 C ATOM 828 CG PRO C 54 88.312 14.304 -10.776 1.00 0.00 C ATOM 829 CD PRO C 54 89.294 14.315 -9.600 1.00 0.00 C ATOM 0 HA PRO C 54 88.011 11.218 -9.463 1.00 0.00 H new ATOM 0 HB2 PRO C 54 87.501 12.588 -11.819 1.00 0.00 H new ATOM 0 HB3 PRO C 54 86.653 12.983 -10.337 1.00 0.00 H new ATOM 0 HG2 PRO C 54 88.835 14.489 -11.715 1.00 0.00 H new ATOM 0 HG3 PRO C 54 87.570 15.094 -10.664 1.00 0.00 H new ATOM 0 HD2 PRO C 54 90.285 14.650 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.963 14.983 -8.805 1.00 0.00 H new ATOM 837 N GLU C 55 90.703 11.659 -11.078 1.00 0.00 N ATOM 838 CA GLU C 55 91.677 10.998 -11.943 1.00 0.00 C ATOM 839 C GLU C 55 92.388 9.870 -11.197 1.00 0.00 C ATOM 840 O GLU C 55 92.701 8.829 -11.775 1.00 0.00 O ATOM 841 CB GLU C 55 92.719 12.002 -12.440 1.00 0.00 C ATOM 842 CG GLU C 55 93.634 12.409 -11.283 1.00 0.00 C ATOM 843 CD GLU C 55 94.339 13.717 -11.628 1.00 0.00 C ATOM 844 OE1 GLU C 55 94.407 14.039 -12.803 1.00 0.00 O ATOM 845 OE2 GLU C 55 94.800 14.378 -10.712 1.00 0.00 O ATOM 0 H GLU C 55 91.058 12.480 -10.588 1.00 0.00 H new ATOM 0 HA GLU C 55 91.137 10.581 -12.793 1.00 0.00 H new ATOM 0 HB2 GLU C 55 93.308 11.562 -13.245 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.224 12.881 -12.852 1.00 0.00 H new ATOM 0 HG2 GLU C 55 93.052 12.527 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU C 55 94.369 11.626 -11.094 1.00 0.00 H new ATOM 852 N GLU C 56 92.647 10.088 -9.908 1.00 0.00 N ATOM 853 CA GLU C 56 93.331 9.078 -9.101 1.00 0.00 C ATOM 854 C GLU C 56 92.328 8.115 -8.474 1.00 0.00 C ATOM 855 O GLU C 56 92.611 6.928 -8.302 1.00 0.00 O ATOM 856 CB GLU C 56 94.146 9.741 -7.988 1.00 0.00 C ATOM 857 CG GLU C 56 95.595 9.911 -8.449 1.00 0.00 C ATOM 858 CD GLU C 56 96.261 11.021 -7.643 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.750 12.128 -7.660 1.00 0.00 O ATOM 860 OE2 GLU C 56 97.274 10.747 -7.020 1.00 0.00 O ATOM 0 H GLU C 56 92.398 10.941 -9.406 1.00 0.00 H new ATOM 0 HA GLU C 56 93.998 8.524 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU C 56 93.717 10.711 -7.737 1.00 0.00 H new ATOM 0 HB3 GLU C 56 94.110 9.133 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU C 56 96.141 8.976 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU C 56 95.623 10.152 -9.512 1.00 0.00 H new ATOM 867 N LEU C 57 91.155 8.637 -8.132 1.00 0.00 N ATOM 868 CA LEU C 57 90.115 7.812 -7.522 1.00 0.00 C ATOM 869 C LEU C 57 89.702 6.693 -8.470 1.00 0.00 C ATOM 870 O LEU C 57 89.396 5.578 -8.045 1.00 0.00 O ATOM 871 CB LEU C 57 88.888 8.660 -7.184 1.00 0.00 C ATOM 872 CG LEU C 57 89.012 9.188 -5.754 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.944 10.256 -5.508 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.814 8.035 -4.767 1.00 0.00 C ATOM 0 H LEU C 57 90.901 9.616 -8.264 1.00 0.00 H new ATOM 0 HA LEU C 57 90.519 7.381 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU C 57 88.803 9.491 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.981 8.064 -7.286 1.00 0.00 H new ATOM 0 HG LEU C 57 90.001 9.624 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU C 57 88.033 10.632 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU C 57 88.082 11.078 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.955 9.821 -5.649 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.902 8.410 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.825 7.600 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.574 7.273 -4.940 1.00 0.00 H new ATOM 886 N GLN C 58 89.698 7.003 -9.763 1.00 0.00 N ATOM 887 CA GLN C 58 89.323 6.017 -10.771 1.00 0.00 C ATOM 888 C GLN C 58 90.228 4.793 -10.679 1.00 0.00 C ATOM 889 O GLN C 58 89.835 3.683 -11.038 1.00 0.00 O ATOM 890 CB GLN C 58 89.438 6.617 -12.173 1.00 0.00 C ATOM 891 CG GLN C 58 89.212 5.522 -13.217 1.00 0.00 C ATOM 892 CD GLN C 58 87.779 5.013 -13.115 1.00 0.00 C ATOM 893 OE1 GLN C 58 87.535 3.926 -12.591 1.00 0.00 O ATOM 894 NE2 GLN C 58 86.806 5.741 -13.590 1.00 0.00 N ATOM 0 H GLN C 58 89.947 7.919 -10.135 1.00 0.00 H new ATOM 0 HA GLN C 58 88.290 5.721 -10.586 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.704 7.413 -12.301 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.422 7.066 -12.308 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.400 5.913 -14.217 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.913 4.702 -13.058 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.008 6.642 -14.024 1.00 0.00 H new ATOM 0 HE22 GLN C 58 85.843 5.410 -13.527 1.00 0.00 H new ATOM 903 N GLU C 59 91.446 5.011 -10.192 1.00 0.00 N ATOM 904 CA GLU C 59 92.407 3.921 -10.053 1.00 0.00 C ATOM 905 C GLU C 59 91.950 2.942 -8.977 1.00 0.00 C ATOM 906 O GLU C 59 92.416 1.805 -8.912 1.00 0.00 O ATOM 907 CB GLU C 59 93.785 4.469 -9.674 1.00 0.00 C ATOM 908 CG GLU C 59 94.367 5.248 -10.855 1.00 0.00 C ATOM 909 CD GLU C 59 95.741 4.690 -11.206 1.00 0.00 C ATOM 910 OE1 GLU C 59 95.802 3.557 -11.654 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.713 5.404 -11.022 1.00 0.00 O ATOM 0 H GLU C 59 91.789 5.923 -9.890 1.00 0.00 H new ATOM 0 HA GLU C 59 92.471 3.405 -11.011 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.703 5.118 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.451 3.651 -9.401 1.00 0.00 H new ATOM 0 HG2 GLU C 59 93.702 5.174 -11.716 1.00 0.00 H new ATOM 0 HG3 GLU C 59 94.446 6.306 -10.603 1.00 0.00 H new ATOM 918 N MET C 60 91.030 3.399 -8.132 1.00 0.00 N ATOM 919 CA MET C 60 90.513 2.557 -7.058 1.00 0.00 C ATOM 920 C MET C 60 89.448 1.605 -7.593 1.00 0.00 C ATOM 921 O MET C 60 89.472 0.405 -7.318 1.00 0.00 O ATOM 922 CB MET C 60 89.902 3.417 -5.951 1.00 0.00 C ATOM 923 CG MET C 60 91.012 3.933 -5.034 1.00 0.00 C ATOM 924 SD MET C 60 90.755 5.694 -4.704 1.00 0.00 S ATOM 925 CE MET C 60 91.086 5.645 -2.925 1.00 0.00 C ATOM 0 H MET C 60 90.631 4.337 -8.169 1.00 0.00 H new ATOM 0 HA MET C 60 91.345 1.981 -6.652 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.356 4.254 -6.386 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.184 2.832 -5.376 1.00 0.00 H new ATOM 0 HG2 MET C 60 91.014 3.374 -4.098 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.985 3.778 -5.501 1.00 0.00 H new ATOM 0 HE1 MET C 60 90.981 6.647 -2.508 1.00 0.00 H new ATOM 0 HE2 MET C 60 90.376 4.974 -2.441 1.00 0.00 H new ATOM 0 HE3 MET C 60 92.100 5.285 -2.753 1.00 0.00 H new ATOM 935 N ILE C 61 88.513 2.153 -8.362 1.00 0.00 N ATOM 936 CA ILE C 61 87.443 1.342 -8.934 1.00 0.00 C ATOM 937 C ILE C 61 88.026 0.300 -9.885 1.00 0.00 C ATOM 938 O ILE C 61 87.654 -0.871 -9.847 1.00 0.00 O ATOM 939 CB ILE C 61 86.441 2.231 -9.687 1.00 0.00 C ATOM 940 CG1 ILE C 61 85.521 2.938 -8.683 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.586 1.376 -10.627 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.332 3.438 -7.483 1.00 0.00 C ATOM 0 H ILE C 61 88.473 3.144 -8.602 1.00 0.00 H new ATOM 0 HA ILE C 61 86.922 0.834 -8.123 1.00 0.00 H new ATOM 0 HB ILE C 61 86.994 2.970 -10.267 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.019 3.776 -9.166 1.00 0.00 H new ATOM 0 HG13 ILE C 61 84.744 2.252 -8.346 1.00 0.00 H new ATOM 0 HG21 ILE C 61 84.879 2.014 -11.157 1.00 0.00 H new ATOM 0 HG22 ILE C 61 86.230 0.872 -11.348 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.040 0.632 -10.047 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.668 3.938 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE C 61 86.813 2.593 -6.991 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.093 4.140 -7.825 1.00 0.00 H new ATOM 954 N ASP C 62 88.947 0.739 -10.738 1.00 0.00 N ATOM 955 CA ASP C 62 89.574 -0.170 -11.693 1.00 0.00 C ATOM 956 C ASP C 62 90.069 -1.427 -10.985 1.00 0.00 C ATOM 957 O ASP C 62 90.215 -2.485 -11.596 1.00 0.00 O ATOM 958 CB ASP C 62 90.756 0.509 -12.386 1.00 0.00 C ATOM 959 CG ASP C 62 91.149 -0.291 -13.622 1.00 0.00 C ATOM 960 OD1 ASP C 62 90.304 -1.008 -14.133 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.289 -0.176 -14.041 1.00 0.00 O ATOM 0 H ASP C 62 89.272 1.704 -10.788 1.00 0.00 H new ATOM 0 HA ASP C 62 88.826 -0.442 -12.438 1.00 0.00 H new ATOM 0 HB2 ASP C 62 90.489 1.527 -12.669 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.601 0.579 -11.701 1.00 0.00 H new ATOM 966 N GLU C 63 90.325 -1.299 -9.686 1.00 0.00 N ATOM 967 CA GLU C 63 90.805 -2.432 -8.899 1.00 0.00 C ATOM 968 C GLU C 63 89.639 -3.315 -8.469 1.00 0.00 C ATOM 969 O GLU C 63 89.822 -4.477 -8.107 1.00 0.00 O ATOM 970 CB GLU C 63 91.544 -1.943 -7.651 1.00 0.00 C ATOM 971 CG GLU C 63 92.263 -0.631 -7.964 1.00 0.00 C ATOM 972 CD GLU C 63 93.661 -0.661 -7.357 1.00 0.00 C ATOM 973 OE1 GLU C 63 93.841 -1.349 -6.366 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.532 0.005 -7.893 1.00 0.00 O ATOM 0 H GLU C 63 90.210 -0.433 -9.160 1.00 0.00 H new ATOM 0 HA GLU C 63 91.487 -3.009 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.839 -1.797 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.263 -2.694 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.326 -0.487 -9.043 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.698 0.210 -7.562 1.00 0.00 H new ATOM 981 N VAL C 64 88.436 -2.749 -8.510 1.00 0.00 N ATOM 982 CA VAL C 64 87.241 -3.491 -8.120 1.00 0.00 C ATOM 983 C VAL C 64 86.358 -3.756 -9.337 1.00 0.00 C ATOM 984 O VAL C 64 85.508 -4.646 -9.327 1.00 0.00 O ATOM 985 CB VAL C 64 86.445 -2.707 -7.067 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.416 -2.029 -6.100 1.00 0.00 C ATOM 987 CG2 VAL C 64 85.584 -1.635 -7.746 1.00 0.00 C ATOM 0 H VAL C 64 88.263 -1.788 -8.806 1.00 0.00 H new ATOM 0 HA VAL C 64 87.554 -4.444 -7.693 1.00 0.00 H new ATOM 0 HB VAL C 64 85.798 -3.397 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.854 -1.471 -5.351 1.00 0.00 H new ATOM 0 HG12 VAL C 64 88.026 -2.786 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.062 -1.346 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.024 -1.085 -6.990 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.226 -0.946 -8.294 1.00 0.00 H new ATOM 0 HG23 VAL C 64 84.889 -2.111 -8.438 1.00 0.00 H new ATOM 997 N ASP C 65 86.570 -2.964 -10.384 1.00 0.00 N ATOM 998 CA ASP C 65 85.792 -3.107 -11.610 1.00 0.00 C ATOM 999 C ASP C 65 86.222 -4.357 -12.369 1.00 0.00 C ATOM 1000 O ASP C 65 86.917 -4.281 -13.382 1.00 0.00 O ATOM 1001 CB ASP C 65 85.982 -1.883 -12.508 1.00 0.00 C ATOM 1002 CG ASP C 65 84.654 -1.148 -12.650 1.00 0.00 C ATOM 1003 OD1 ASP C 65 83.781 -1.378 -11.829 1.00 0.00 O ATOM 1004 OD2 ASP C 65 84.529 -0.367 -13.578 1.00 0.00 O ATOM 0 H ASP C 65 87.269 -2.222 -10.409 1.00 0.00 H new ATOM 0 HA ASP C 65 84.741 -3.194 -11.336 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.734 -1.219 -12.082 1.00 0.00 H new ATOM 0 HB3 ASP C 65 86.347 -2.190 -13.488 1.00 0.00 H new ATOM 1009 N GLU C 66 85.797 -5.511 -11.864 1.00 0.00 N ATOM 1010 CA GLU C 66 86.138 -6.782 -12.496 1.00 0.00 C ATOM 1011 C GLU C 66 85.132 -7.118 -13.592 1.00 0.00 C ATOM 1012 O GLU C 66 85.364 -8.000 -14.419 1.00 0.00 O ATOM 1013 CB GLU C 66 86.139 -7.909 -11.461 1.00 0.00 C ATOM 1014 CG GLU C 66 87.562 -8.440 -11.285 1.00 0.00 C ATOM 1015 CD GLU C 66 87.602 -9.406 -10.105 1.00 0.00 C ATOM 1016 OE1 GLU C 66 87.536 -8.939 -8.980 1.00 0.00 O ATOM 1017 OE2 GLU C 66 87.696 -10.599 -10.344 1.00 0.00 O ATOM 0 H GLU C 66 85.221 -5.593 -11.026 1.00 0.00 H new ATOM 0 HA GLU C 66 87.133 -6.686 -12.931 1.00 0.00 H new ATOM 0 HB2 GLU C 66 85.756 -7.542 -10.509 1.00 0.00 H new ATOM 0 HB3 GLU C 66 85.477 -8.713 -11.783 1.00 0.00 H new ATOM 0 HG2 GLU C 66 87.888 -8.946 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU C 66 88.252 -7.613 -11.115 1.00 0.00 H new ATOM 1024 N ASP C 67 84.008 -6.406 -13.587 1.00 0.00 N ATOM 1025 CA ASP C 67 82.968 -6.638 -14.586 1.00 0.00 C ATOM 1026 C ASP C 67 83.056 -5.600 -15.700 1.00 0.00 C ATOM 1027 O ASP C 67 82.600 -5.831 -16.820 1.00 0.00 O ATOM 1028 CB ASP C 67 81.582 -6.564 -13.942 1.00 0.00 C ATOM 1029 CG ASP C 67 81.400 -5.203 -13.280 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.398 -4.605 -12.915 1.00 0.00 O ATOM 1031 OD2 ASP C 67 80.263 -4.778 -13.147 1.00 0.00 O ATOM 0 H ASP C 67 83.795 -5.672 -12.911 1.00 0.00 H new ATOM 0 HA ASP C 67 83.120 -7.632 -15.005 1.00 0.00 H new ATOM 0 HB2 ASP C 67 80.810 -6.719 -14.696 1.00 0.00 H new ATOM 0 HB3 ASP C 67 81.470 -7.357 -13.203 1.00 0.00 H new ATOM 1036 N GLY C 68 83.647 -4.452 -15.380 1.00 0.00 N ATOM 1037 CA GLY C 68 83.791 -3.381 -16.362 1.00 0.00 C ATOM 1038 C GLY C 68 82.625 -2.401 -16.277 1.00 0.00 C ATOM 1039 O GLY C 68 82.553 -1.434 -17.037 1.00 0.00 O ATOM 0 H GLY C 68 84.030 -4.240 -14.459 1.00 0.00 H new ATOM 0 HA2 GLY C 68 84.729 -2.852 -16.193 1.00 0.00 H new ATOM 0 HA3 GLY C 68 83.841 -3.806 -17.364 1.00 0.00 H new ATOM 1043 N SER C 69 81.709 -2.658 -15.346 1.00 0.00 N ATOM 1044 CA SER C 69 80.549 -1.788 -15.175 1.00 0.00 C ATOM 1045 C SER C 69 80.983 -0.327 -15.142 1.00 0.00 C ATOM 1046 O SER C 69 80.456 0.509 -15.877 1.00 0.00 O ATOM 1047 CB SER C 69 79.813 -2.121 -13.876 1.00 0.00 C ATOM 1048 OG SER C 69 80.760 -2.299 -12.831 1.00 0.00 O ATOM 0 H SER C 69 81.746 -3.451 -14.706 1.00 0.00 H new ATOM 0 HA SER C 69 79.879 -1.950 -16.019 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.120 -1.319 -13.621 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.220 -3.027 -14.003 1.00 0.00 H new ATOM 0 HG SER C 69 80.602 -3.159 -12.389 1.00 0.00 H new ATOM 1054 N GLY C 70 81.954 -0.029 -14.283 1.00 0.00 N ATOM 1055 CA GLY C 70 82.458 1.337 -14.163 1.00 0.00 C ATOM 1056 C GLY C 70 82.164 1.907 -12.779 1.00 0.00 C ATOM 1057 O GLY C 70 82.164 3.122 -12.581 1.00 0.00 O ATOM 0 H GLY C 70 82.404 -0.706 -13.666 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.533 1.349 -14.345 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.998 1.967 -14.925 1.00 0.00 H new ATOM 1061 N THR C 71 81.912 1.017 -11.824 1.00 0.00 N ATOM 1062 CA THR C 71 81.617 1.446 -10.460 1.00 0.00 C ATOM 1063 C THR C 71 81.872 0.310 -9.475 1.00 0.00 C ATOM 1064 O THR C 71 82.269 -0.789 -9.861 1.00 0.00 O ATOM 1065 CB THR C 71 80.157 1.892 -10.342 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.385 1.243 -11.342 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.070 3.408 -10.527 1.00 0.00 C ATOM 0 H THR C 71 81.906 0.007 -11.965 1.00 0.00 H new ATOM 0 HA THR C 71 82.272 2.284 -10.223 1.00 0.00 H new ATOM 0 HB THR C 71 79.772 1.627 -9.357 1.00 0.00 H new ATOM 0 HG1 THR C 71 78.490 1.640 -11.373 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.031 3.726 -10.443 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.664 3.903 -9.759 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.453 3.677 -11.511 1.00 0.00 H new ATOM 1075 N VAL C 72 81.640 0.591 -8.195 1.00 0.00 N ATOM 1076 CA VAL C 72 81.849 -0.412 -7.154 1.00 0.00 C ATOM 1077 C VAL C 72 80.516 -0.864 -6.568 1.00 0.00 C ATOM 1078 O VAL C 72 79.906 -0.164 -5.760 1.00 0.00 O ATOM 1079 CB VAL C 72 82.718 0.153 -6.029 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.241 -0.995 -5.163 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.899 0.914 -6.632 1.00 0.00 C ATOM 0 H VAL C 72 81.311 1.495 -7.856 1.00 0.00 H new ATOM 0 HA VAL C 72 82.353 -1.264 -7.611 1.00 0.00 H new ATOM 0 HB VAL C 72 82.124 0.830 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL C 72 83.860 -0.593 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.400 -1.539 -4.734 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.836 -1.672 -5.776 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.519 1.317 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.493 0.237 -7.245 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.528 1.732 -7.250 1.00 0.00 H new ATOM 1091 N ASP C 73 80.075 -2.048 -6.982 1.00 0.00 N ATOM 1092 CA ASP C 73 78.813 -2.595 -6.491 1.00 0.00 C ATOM 1093 C ASP C 73 78.939 -2.965 -5.014 1.00 0.00 C ATOM 1094 O ASP C 73 79.909 -2.600 -4.351 1.00 0.00 O ATOM 1095 CB ASP C 73 78.426 -3.839 -7.296 1.00 0.00 C ATOM 1096 CG ASP C 73 79.593 -4.819 -7.315 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.029 -5.214 -6.246 1.00 0.00 O ATOM 1098 OD2 ASP C 73 80.035 -5.160 -8.400 1.00 0.00 O ATOM 0 H ASP C 73 80.566 -2.643 -7.649 1.00 0.00 H new ATOM 0 HA ASP C 73 78.039 -1.837 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.548 -4.311 -6.855 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.158 -3.557 -8.314 1.00 0.00 H new ATOM 1103 N PHE C 74 77.944 -3.687 -4.505 1.00 0.00 N ATOM 1104 CA PHE C 74 77.950 -4.094 -3.101 1.00 0.00 C ATOM 1105 C PHE C 74 78.717 -5.403 -2.919 1.00 0.00 C ATOM 1106 O PHE C 74 78.659 -6.032 -1.862 1.00 0.00 O ATOM 1107 CB PHE C 74 76.515 -4.271 -2.595 1.00 0.00 C ATOM 1108 CG PHE C 74 76.533 -4.798 -1.179 1.00 0.00 C ATOM 1109 CD1 PHE C 74 76.896 -3.956 -0.122 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.189 -6.132 -0.926 1.00 0.00 C ATOM 1111 CE1 PHE C 74 76.913 -4.447 1.190 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.207 -6.622 0.385 1.00 0.00 C ATOM 1113 CZ PHE C 74 76.569 -5.780 1.443 1.00 0.00 C ATOM 0 H PHE C 74 77.131 -4.000 -5.036 1.00 0.00 H new ATOM 0 HA PHE C 74 78.445 -3.312 -2.525 1.00 0.00 H new ATOM 0 HB2 PHE C 74 75.987 -3.318 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.974 -4.961 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.163 -2.928 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE C 74 75.910 -6.782 -1.742 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.192 -3.797 2.006 1.00 0.00 H new ATOM 0 HE2 PHE C 74 75.941 -7.650 0.580 1.00 0.00 H new ATOM 0 HZ PHE C 74 76.583 -6.159 2.454 1.00 0.00 H new ATOM 1123 N ASP C 75 79.437 -5.814 -3.960 1.00 0.00 N ATOM 1124 CA ASP C 75 80.204 -7.055 -3.891 1.00 0.00 C ATOM 1125 C ASP C 75 81.700 -6.786 -4.039 1.00 0.00 C ATOM 1126 O ASP C 75 82.531 -7.578 -3.595 1.00 0.00 O ATOM 1127 CB ASP C 75 79.763 -8.020 -4.993 1.00 0.00 C ATOM 1128 CG ASP C 75 78.733 -8.995 -4.432 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.170 -8.698 -3.392 1.00 0.00 O ATOM 1130 OD2 ASP C 75 78.524 -10.026 -5.051 1.00 0.00 O ATOM 0 H ASP C 75 79.506 -5.316 -4.847 1.00 0.00 H new ATOM 0 HA ASP C 75 80.016 -7.501 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.337 -7.465 -5.828 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.624 -8.566 -5.379 1.00 0.00 H new ATOM 1135 N GLU C 76 82.037 -5.665 -4.672 1.00 0.00 N ATOM 1136 CA GLU C 76 83.443 -5.315 -4.876 1.00 0.00 C ATOM 1137 C GLU C 76 84.003 -4.588 -3.655 1.00 0.00 C ATOM 1138 O GLU C 76 85.065 -4.939 -3.139 1.00 0.00 O ATOM 1139 CB GLU C 76 83.617 -4.413 -6.105 1.00 0.00 C ATOM 1140 CG GLU C 76 82.401 -4.535 -7.026 1.00 0.00 C ATOM 1141 CD GLU C 76 82.807 -4.188 -8.454 1.00 0.00 C ATOM 1142 OE1 GLU C 76 82.834 -3.010 -8.772 1.00 0.00 O ATOM 1143 OE2 GLU C 76 83.086 -5.105 -9.210 1.00 0.00 O ATOM 0 H GLU C 76 81.369 -4.992 -5.048 1.00 0.00 H new ATOM 0 HA GLU C 76 83.986 -6.247 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU C 76 83.741 -3.377 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.521 -4.693 -6.645 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.002 -5.549 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU C 76 81.608 -3.867 -6.690 1.00 0.00 H new ATOM 1150 N PHE C 77 83.282 -3.565 -3.205 1.00 0.00 N ATOM 1151 CA PHE C 77 83.720 -2.785 -2.050 1.00 0.00 C ATOM 1152 C PHE C 77 84.342 -3.690 -0.989 1.00 0.00 C ATOM 1153 O PHE C 77 85.529 -3.583 -0.680 1.00 0.00 O ATOM 1154 CB PHE C 77 82.539 -2.030 -1.432 1.00 0.00 C ATOM 1155 CG PHE C 77 83.027 -1.064 -0.370 1.00 0.00 C ATOM 1156 CD1 PHE C 77 84.394 -0.774 -0.240 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.102 -0.455 0.488 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.830 0.121 0.744 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.541 0.440 1.472 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.904 0.728 1.600 1.00 0.00 C ATOM 0 H PHE C 77 82.401 -3.258 -3.617 1.00 0.00 H new ATOM 0 HA PHE C 77 84.467 -2.071 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.001 -1.486 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.836 -2.738 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE C 77 85.110 -1.242 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.049 -0.676 0.391 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.882 0.343 0.843 1.00 0.00 H new ATOM 0 HE2 PHE C 77 81.826 0.908 2.133 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.241 1.418 2.359 1.00 0.00 H new ATOM 1170 N LEU C 78 83.525 -4.579 -0.430 1.00 0.00 N ATOM 1171 CA LEU C 78 84.006 -5.497 0.602 1.00 0.00 C ATOM 1172 C LEU C 78 85.214 -6.278 0.101 1.00 0.00 C ATOM 1173 O LEU C 78 86.318 -6.149 0.630 1.00 0.00 O ATOM 1174 CB LEU C 78 82.907 -6.482 1.004 1.00 0.00 C ATOM 1175 CG LEU C 78 81.944 -5.804 1.979 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.503 -6.111 1.569 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.196 -6.333 3.393 1.00 0.00 C ATOM 0 H LEU C 78 82.539 -4.684 -0.669 1.00 0.00 H new ATOM 0 HA LEU C 78 84.292 -4.902 1.470 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.367 -6.821 0.120 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.347 -7.365 1.467 1.00 0.00 H new ATOM 0 HG LEU C 78 82.105 -4.726 1.959 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.816 -5.628 2.264 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.324 -5.736 0.562 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.341 -7.189 1.589 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.510 -5.851 4.090 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.034 -7.411 3.412 1.00 0.00 H new ATOM 0 HD23 LEU C 78 83.223 -6.115 3.685 1.00 0.00 H new ATOM 1189 N VAL C 79 84.994 -7.090 -0.929 1.00 0.00 N ATOM 1190 CA VAL C 79 86.077 -7.888 -1.495 1.00 0.00 C ATOM 1191 C VAL C 79 87.339 -7.044 -1.625 1.00 0.00 C ATOM 1192 O VAL C 79 88.395 -7.395 -1.099 1.00 0.00 O ATOM 1193 CB VAL C 79 85.688 -8.420 -2.874 1.00 0.00 C ATOM 1194 CG1 VAL C 79 86.889 -9.125 -3.507 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.534 -9.414 -2.726 1.00 0.00 C ATOM 0 H VAL C 79 84.089 -7.212 -1.384 1.00 0.00 H new ATOM 0 HA VAL C 79 86.265 -8.728 -0.826 1.00 0.00 H new ATOM 0 HB VAL C 79 85.378 -7.591 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL C 79 86.611 -9.504 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.713 -8.419 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.200 -9.955 -2.872 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.254 -9.795 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.847 -10.243 -2.091 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.678 -8.913 -2.274 1.00 0.00 H new ATOM 1205 N MET C 80 87.217 -5.923 -2.330 1.00 0.00 N ATOM 1206 CA MET C 80 88.355 -5.030 -2.519 1.00 0.00 C ATOM 1207 C MET C 80 89.110 -4.863 -1.206 1.00 0.00 C ATOM 1208 O MET C 80 90.322 -4.648 -1.191 1.00 0.00 O ATOM 1209 CB MET C 80 87.886 -3.657 -3.003 1.00 0.00 C ATOM 1210 CG MET C 80 89.102 -2.769 -3.271 1.00 0.00 C ATOM 1211 SD MET C 80 89.051 -1.326 -2.180 1.00 0.00 S ATOM 1212 CE MET C 80 89.297 -0.068 -3.457 1.00 0.00 C ATOM 0 H MET C 80 86.353 -5.614 -2.775 1.00 0.00 H new ATOM 0 HA MET C 80 89.012 -5.469 -3.269 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.292 -3.763 -3.911 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.243 -3.195 -2.254 1.00 0.00 H new ATOM 0 HG2 MET C 80 90.020 -3.332 -3.104 1.00 0.00 H new ATOM 0 HG3 MET C 80 89.109 -2.450 -4.313 1.00 0.00 H new ATOM 0 HE1 MET C 80 89.300 0.921 -2.998 1.00 0.00 H new ATOM 0 HE2 MET C 80 90.250 -0.239 -3.957 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.489 -0.127 -4.186 1.00 0.00 H new ATOM 1222 N MET C 81 88.375 -4.966 -0.104 1.00 0.00 N ATOM 1223 CA MET C 81 88.975 -4.828 1.218 1.00 0.00 C ATOM 1224 C MET C 81 89.544 -6.164 1.680 1.00 0.00 C ATOM 1225 O MET C 81 90.743 -6.294 1.926 1.00 0.00 O ATOM 1226 CB MET C 81 87.934 -4.353 2.236 1.00 0.00 C ATOM 1227 CG MET C 81 87.033 -3.291 1.600 1.00 0.00 C ATOM 1228 SD MET C 81 87.381 -1.680 2.347 1.00 0.00 S ATOM 1229 CE MET C 81 87.952 -0.854 0.842 1.00 0.00 C ATOM 0 H MET C 81 87.371 -5.143 -0.099 1.00 0.00 H new ATOM 0 HA MET C 81 89.775 -4.091 1.150 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.333 -5.197 2.576 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.432 -3.942 3.114 1.00 0.00 H new ATOM 0 HG2 MET C 81 87.205 -3.250 0.524 1.00 0.00 H new ATOM 0 HG3 MET C 81 85.985 -3.553 1.746 1.00 0.00 H new ATOM 0 HE1 MET C 81 87.887 0.226 0.973 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.987 -1.134 0.644 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.327 -1.156 0.002 1.00 0.00 H new ATOM 1239 N VAL C 82 88.667 -7.157 1.793 1.00 0.00 N ATOM 1240 CA VAL C 82 89.090 -8.486 2.224 1.00 0.00 C ATOM 1241 C VAL C 82 90.386 -8.879 1.523 1.00 0.00 C ATOM 1242 O VAL C 82 91.185 -9.654 2.050 1.00 0.00 O ATOM 1243 CB VAL C 82 88.011 -9.522 1.899 1.00 0.00 C ATOM 1244 CG1 VAL C 82 88.486 -10.912 2.327 1.00 0.00 C ATOM 1245 CG2 VAL C 82 86.727 -9.171 2.653 1.00 0.00 C ATOM 0 H VAL C 82 87.670 -7.069 1.595 1.00 0.00 H new ATOM 0 HA VAL C 82 89.251 -8.459 3.302 1.00 0.00 H new ATOM 0 HB VAL C 82 87.819 -9.520 0.826 1.00 0.00 H new ATOM 0 HG11 VAL C 82 87.716 -11.647 2.094 1.00 0.00 H new ATOM 0 HG12 VAL C 82 89.402 -11.164 1.792 1.00 0.00 H new ATOM 0 HG13 VAL C 82 88.679 -10.916 3.400 1.00 0.00 H new ATOM 0 HG21 VAL C 82 85.957 -9.908 2.423 1.00 0.00 H new ATOM 0 HG22 VAL C 82 86.923 -9.173 3.725 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.385 -8.182 2.349 1.00 0.00 H new ATOM 1255 N ARG C 83 90.584 -8.332 0.327 1.00 0.00 N ATOM 1256 CA ARG C 83 91.787 -8.626 -0.448 1.00 0.00 C ATOM 1257 C ARG C 83 93.035 -8.225 0.333 1.00 0.00 C ATOM 1258 O ARG C 83 93.880 -9.061 0.655 1.00 0.00 O ATOM 1259 CB ARG C 83 91.765 -7.868 -1.777 1.00 0.00 C ATOM 1260 CG ARG C 83 91.413 -8.835 -2.910 1.00 0.00 C ATOM 1261 CD ARG C 83 91.764 -8.195 -4.255 1.00 0.00 C ATOM 1262 NE ARG C 83 92.235 -9.205 -5.201 1.00 0.00 N ATOM 1263 CZ ARG C 83 91.382 -9.927 -5.922 1.00 0.00 C ATOM 1264 NH1 ARG C 83 90.096 -9.756 -5.782 1.00 0.00 N ATOM 1265 NH2 ARG C 83 91.832 -10.813 -6.769 1.00 0.00 N ATOM 0 H ARG C 83 89.934 -7.688 -0.124 1.00 0.00 H new ATOM 0 HA ARG C 83 91.809 -9.698 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.035 -7.059 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.737 -7.411 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG C 83 91.959 -9.770 -2.787 1.00 0.00 H new ATOM 0 HG3 ARG C 83 90.351 -9.079 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG C 83 90.889 -7.689 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG C 83 92.533 -7.436 -4.112 1.00 0.00 H new ATOM 0 HE ARG C 83 93.237 -9.359 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.742 -9.067 -5.118 1.00 0.00 H new ATOM 0 HH12 ARG C 83 89.444 -10.311 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG C 83 92.837 -10.951 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG C 83 91.179 -11.367 -7.322 1.00 0.00 H new ATOM 1279 N CYS C 84 93.141 -6.933 0.634 1.00 0.00 N ATOM 1280 CA CYS C 84 94.289 -6.425 1.379 1.00 0.00 C ATOM 1281 C CYS C 84 94.108 -6.674 2.873 1.00 0.00 C ATOM 1282 O CYS C 84 95.078 -6.865 3.607 1.00 0.00 O ATOM 1283 CB CYS C 84 94.462 -4.924 1.139 1.00 0.00 C ATOM 1284 SG CYS C 84 96.063 -4.621 0.350 1.00 0.00 S ATOM 0 H CYS C 84 92.453 -6.225 0.376 1.00 0.00 H new ATOM 0 HA CYS C 84 95.177 -6.952 1.029 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.656 -4.550 0.507 1.00 0.00 H new ATOM 0 HB3 CYS C 84 94.402 -4.384 2.084 1.00 0.00 H new ATOM 0 HG CYS C 84 96.211 -3.346 0.143 1.00 0.00 H new ATOM 1290 N MET C 85 92.854 -6.669 3.316 1.00 0.00 N ATOM 1291 CA MET C 85 92.555 -6.895 4.727 1.00 0.00 C ATOM 1292 C MET C 85 93.244 -8.164 5.219 1.00 0.00 C ATOM 1293 O MET C 85 93.470 -8.341 6.416 1.00 0.00 O ATOM 1294 CB MET C 85 91.046 -7.033 4.939 1.00 0.00 C ATOM 1295 CG MET C 85 90.353 -5.733 4.529 1.00 0.00 C ATOM 1296 SD MET C 85 90.059 -4.716 5.998 1.00 0.00 S ATOM 1297 CE MET C 85 88.534 -3.930 5.425 1.00 0.00 C ATOM 0 H MET C 85 92.037 -6.513 2.726 1.00 0.00 H new ATOM 0 HA MET C 85 92.923 -6.038 5.291 1.00 0.00 H new ATOM 0 HB2 MET C 85 90.660 -7.865 4.350 1.00 0.00 H new ATOM 0 HB3 MET C 85 90.834 -7.257 5.984 1.00 0.00 H new ATOM 0 HG2 MET C 85 90.971 -5.189 3.815 1.00 0.00 H new ATOM 0 HG3 MET C 85 89.409 -5.953 4.031 1.00 0.00 H new ATOM 0 HE1 MET C 85 87.983 -3.538 6.280 1.00 0.00 H new ATOM 0 HE2 MET C 85 88.779 -3.113 4.746 1.00 0.00 H new ATOM 0 HE3 MET C 85 87.920 -4.664 4.903 1.00 0.00 H new ATOM 1307 N LYS C 86 93.576 -9.044 4.279 1.00 0.00 N ATOM 1308 CA LYS C 86 94.242 -10.297 4.623 1.00 0.00 C ATOM 1309 C LYS C 86 95.735 -10.199 4.330 1.00 0.00 C ATOM 1310 O LYS C 86 96.569 -10.323 5.227 1.00 0.00 O ATOM 1311 CB LYS C 86 93.652 -11.458 3.819 1.00 0.00 C ATOM 1312 CG LYS C 86 92.847 -12.367 4.749 1.00 0.00 C ATOM 1313 CD LYS C 86 92.103 -13.417 3.921 1.00 0.00 C ATOM 1314 CE LYS C 86 93.038 -14.591 3.624 1.00 0.00 C ATOM 1315 NZ LYS C 86 92.895 -14.991 2.195 1.00 0.00 N ATOM 0 H LYS C 86 93.397 -8.916 3.283 1.00 0.00 H new ATOM 0 HA LYS C 86 94.088 -10.480 5.687 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.012 -11.075 3.024 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.450 -12.025 3.340 1.00 0.00 H new ATOM 0 HG2 LYS C 86 93.511 -12.855 5.462 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.137 -11.776 5.328 1.00 0.00 H new ATOM 0 HD2 LYS C 86 91.224 -13.767 4.463 1.00 0.00 H new ATOM 0 HD3 LYS C 86 91.749 -12.976 2.989 1.00 0.00 H new ATOM 0 HE2 LYS C 86 94.070 -14.309 3.832 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.800 -15.433 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 93.530 -15.789 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 91.912 -15.276 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 93.143 -14.187 1.583 1.00 0.00 H new ATOM 1392 N ILE I 148 92.941 1.906 4.714 1.00 0.00 N ATOM 1393 CA ILE I 148 91.695 1.202 5.008 1.00 0.00 C ATOM 1394 C ILE I 148 91.732 0.613 6.414 1.00 0.00 C ATOM 1395 O ILE I 148 91.361 -0.541 6.629 1.00 0.00 O ATOM 1396 CB ILE I 148 91.468 0.074 4.001 1.00 0.00 C ATOM 1397 CG1 ILE I 148 91.570 0.634 2.580 1.00 0.00 C ATOM 1398 CG2 ILE I 148 90.077 -0.528 4.213 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.332 1.479 2.273 1.00 0.00 C ATOM 0 HA ILE I 148 90.879 1.921 4.938 1.00 0.00 H new ATOM 0 HB ILE I 148 92.223 -0.699 4.144 1.00 0.00 H new ATOM 0 HG12 ILE I 148 92.471 1.240 2.481 1.00 0.00 H new ATOM 0 HG13 ILE I 148 91.654 -0.182 1.862 1.00 0.00 H new ATOM 0 HG21 ILE I 148 89.915 -1.332 3.495 1.00 0.00 H new ATOM 0 HG22 ILE I 148 90.003 -0.925 5.225 1.00 0.00 H new ATOM 0 HG23 ILE I 148 89.321 0.244 4.070 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.405 1.877 1.261 1.00 0.00 H new ATOM 0 HD12 ILE I 148 89.439 0.859 2.355 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.269 2.303 2.984 1.00 0.00 H new ATOM 1411 N SER I 149 92.184 1.420 7.370 1.00 0.00 N ATOM 1412 CA SER I 149 92.266 0.970 8.757 1.00 0.00 C ATOM 1413 C SER I 149 90.885 0.997 9.408 1.00 0.00 C ATOM 1414 O SER I 149 90.679 0.431 10.482 1.00 0.00 O ATOM 1415 CB SER I 149 93.219 1.863 9.557 1.00 0.00 C ATOM 1416 OG SER I 149 92.467 2.745 10.381 1.00 0.00 O ATOM 0 H SER I 149 92.496 2.378 7.213 1.00 0.00 H new ATOM 0 HA SER I 149 92.646 -0.052 8.758 1.00 0.00 H new ATOM 0 HB2 SER I 149 93.879 1.250 10.171 1.00 0.00 H new ATOM 0 HB3 SER I 149 93.853 2.434 8.879 1.00 0.00 H new ATOM 0 HG SER I 149 93.057 3.151 11.050 1.00 0.00 H new ATOM 1422 N ALA I 150 89.944 1.666 8.744 1.00 0.00 N ATOM 1423 CA ALA I 150 88.582 1.769 9.261 1.00 0.00 C ATOM 1424 C ALA I 150 88.467 2.928 10.250 1.00 0.00 C ATOM 1425 O ALA I 150 87.380 3.242 10.734 1.00 0.00 O ATOM 1426 CB ALA I 150 88.171 0.472 9.961 1.00 0.00 C ATOM 0 H ALA I 150 90.098 2.141 7.855 1.00 0.00 H new ATOM 0 HA ALA I 150 87.919 1.949 8.415 1.00 0.00 H new ATOM 0 HB1 ALA I 150 87.153 0.569 10.339 1.00 0.00 H new ATOM 0 HB2 ALA I 150 88.217 -0.355 9.252 1.00 0.00 H new ATOM 0 HB3 ALA I 150 88.849 0.276 10.791 1.00 0.00 H new ATOM 1432 N ASP I 151 89.600 3.562 10.543 1.00 0.00 N ATOM 1433 CA ASP I 151 89.614 4.686 11.476 1.00 0.00 C ATOM 1434 C ASP I 151 88.885 5.886 10.877 1.00 0.00 C ATOM 1435 O ASP I 151 87.965 6.438 11.482 1.00 0.00 O ATOM 1436 CB ASP I 151 91.053 5.090 11.803 1.00 0.00 C ATOM 1437 CG ASP I 151 91.653 4.097 12.793 1.00 0.00 C ATOM 1438 OD1 ASP I 151 90.920 3.623 13.644 1.00 0.00 O ATOM 1439 OD2 ASP I 151 92.838 3.827 12.685 1.00 0.00 O ATOM 0 H ASP I 151 90.511 3.320 10.153 1.00 0.00 H new ATOM 0 HA ASP I 151 89.108 4.372 12.389 1.00 0.00 H new ATOM 0 HB2 ASP I 151 91.650 5.115 10.891 1.00 0.00 H new ATOM 0 HB3 ASP I 151 91.072 6.095 12.224 1.00 0.00 H new ATOM 1444 N ALA I 152 89.312 6.285 9.683 1.00 0.00 N ATOM 1445 CA ALA I 152 88.700 7.426 9.005 1.00 0.00 C ATOM 1446 C ALA I 152 87.382 7.022 8.351 1.00 0.00 C ATOM 1447 O ALA I 152 86.469 7.836 8.207 1.00 0.00 O ATOM 1448 CB ALA I 152 89.639 7.971 7.928 1.00 0.00 C ATOM 0 H ALA I 152 90.072 5.841 9.168 1.00 0.00 H new ATOM 0 HA ALA I 152 88.511 8.196 9.753 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.169 8.820 7.432 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.574 8.291 8.388 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.844 7.191 7.195 1.00 0.00 H new ATOM 1454 N MET I 153 87.295 5.757 7.953 1.00 0.00 N ATOM 1455 CA MET I 153 86.086 5.251 7.308 1.00 0.00 C ATOM 1456 C MET I 153 84.880 5.390 8.234 1.00 0.00 C ATOM 1457 O MET I 153 83.785 5.750 7.800 1.00 0.00 O ATOM 1458 CB MET I 153 86.258 3.778 6.931 1.00 0.00 C ATOM 1459 CG MET I 153 84.933 3.228 6.400 1.00 0.00 C ATOM 1460 SD MET I 153 85.248 1.749 5.405 1.00 0.00 S ATOM 1461 CE MET I 153 85.933 2.591 3.958 1.00 0.00 C ATOM 0 H MET I 153 88.039 5.068 8.064 1.00 0.00 H new ATOM 0 HA MET I 153 85.917 5.841 6.407 1.00 0.00 H new ATOM 0 HB2 MET I 153 87.036 3.674 6.175 1.00 0.00 H new ATOM 0 HB3 MET I 153 86.580 3.204 7.800 1.00 0.00 H new ATOM 0 HG2 MET I 153 84.269 2.986 7.230 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.429 3.984 5.798 1.00 0.00 H new ATOM 0 HE1 MET I 153 85.921 1.914 3.104 1.00 0.00 H new ATOM 0 HE2 MET I 153 85.333 3.472 3.732 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.959 2.895 4.166 1.00 0.00 H new ATOM 1471 N MET I 154 85.090 5.095 9.514 1.00 0.00 N ATOM 1472 CA MET I 154 84.009 5.185 10.493 1.00 0.00 C ATOM 1473 C MET I 154 83.565 6.633 10.677 1.00 0.00 C ATOM 1474 O MET I 154 82.380 6.915 10.859 1.00 0.00 O ATOM 1475 CB MET I 154 84.462 4.627 11.844 1.00 0.00 C ATOM 1476 CG MET I 154 83.532 3.485 12.261 1.00 0.00 C ATOM 1477 SD MET I 154 82.301 4.104 13.434 1.00 0.00 S ATOM 1478 CE MET I 154 81.032 2.855 13.108 1.00 0.00 C ATOM 0 H MET I 154 85.987 4.795 9.895 1.00 0.00 H new ATOM 0 HA MET I 154 83.171 4.597 10.118 1.00 0.00 H new ATOM 0 HB2 MET I 154 85.489 4.268 11.775 1.00 0.00 H new ATOM 0 HB3 MET I 154 84.449 5.414 12.598 1.00 0.00 H new ATOM 0 HG2 MET I 154 83.036 3.067 11.385 1.00 0.00 H new ATOM 0 HG3 MET I 154 84.109 2.679 12.715 1.00 0.00 H new ATOM 0 HE1 MET I 154 80.241 2.936 13.854 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.612 3.014 12.115 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.478 1.862 13.159 1.00 0.00 H new ATOM 1488 N GLN I 155 84.529 7.548 10.630 1.00 0.00 N ATOM 1489 CA GLN I 155 84.227 8.967 10.796 1.00 0.00 C ATOM 1490 C GLN I 155 83.073 9.380 9.887 1.00 0.00 C ATOM 1491 O GLN I 155 82.188 10.136 10.287 1.00 0.00 O ATOM 1492 CB GLN I 155 85.453 9.818 10.458 1.00 0.00 C ATOM 1493 CG GLN I 155 85.740 10.785 11.609 1.00 0.00 C ATOM 1494 CD GLN I 155 85.146 12.151 11.286 1.00 0.00 C ATOM 1495 OE1 GLN I 155 85.235 12.621 10.151 1.00 0.00 O ATOM 1496 NE2 GLN I 155 84.539 12.825 12.225 1.00 0.00 N ATOM 0 H GLN I 155 85.515 7.336 10.480 1.00 0.00 H new ATOM 0 HA GLN I 155 83.945 9.129 11.836 1.00 0.00 H new ATOM 0 HB2 GLN I 155 86.317 9.176 10.285 1.00 0.00 H new ATOM 0 HB3 GLN I 155 85.279 10.374 9.537 1.00 0.00 H new ATOM 0 HG2 GLN I 155 85.313 10.401 12.536 1.00 0.00 H new ATOM 0 HG3 GLN I 155 86.815 10.872 11.765 1.00 0.00 H new ATOM 0 HE21 GLN I 155 84.465 12.436 13.165 1.00 0.00 H new ATOM 0 HE22 GLN I 155 84.139 13.740 12.018 1.00 0.00 H new ATOM 1505 N ALA I 156 83.096 8.877 8.655 1.00 0.00 N ATOM 1506 CA ALA I 156 82.050 9.202 7.688 1.00 0.00 C ATOM 1507 C ALA I 156 80.747 8.482 8.031 1.00 0.00 C ATOM 1508 O ALA I 156 79.721 8.689 7.383 1.00 0.00 O ATOM 1509 CB ALA I 156 82.483 8.796 6.278 1.00 0.00 C ATOM 0 H ALA I 156 83.820 8.249 8.305 1.00 0.00 H new ATOM 0 HA ALA I 156 81.886 10.279 7.728 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.693 9.045 5.569 1.00 0.00 H new ATOM 0 HB2 ALA I 156 83.394 9.331 6.009 1.00 0.00 H new ATOM 0 HB3 ALA I 156 82.671 7.723 6.250 1.00 0.00 H new ATOM 1515 N LEU I 157 80.797 7.631 9.052 1.00 0.00 N ATOM 1516 CA LEU I 157 79.608 6.885 9.462 1.00 0.00 C ATOM 1517 C LEU I 157 79.372 7.028 10.962 1.00 0.00 C ATOM 1518 O LEU I 157 78.971 6.078 11.635 1.00 0.00 O ATOM 1519 CB LEU I 157 79.743 5.393 9.121 1.00 0.00 C ATOM 1520 CG LEU I 157 81.170 5.076 8.660 1.00 0.00 C ATOM 1521 CD1 LEU I 157 81.461 3.592 8.886 1.00 0.00 C ATOM 1522 CD2 LEU I 157 81.307 5.401 7.169 1.00 0.00 C ATOM 0 H LEU I 157 81.633 7.441 9.604 1.00 0.00 H new ATOM 0 HA LEU I 157 78.761 7.302 8.916 1.00 0.00 H new ATOM 0 HB2 LEU I 157 79.494 4.790 9.994 1.00 0.00 H new ATOM 0 HB3 LEU I 157 79.034 5.127 8.337 1.00 0.00 H new ATOM 0 HG LEU I 157 81.879 5.676 9.231 1.00 0.00 H new ATOM 0 HD11 LEU I 157 82.476 3.366 8.558 1.00 0.00 H new ATOM 0 HD12 LEU I 157 81.362 3.359 9.946 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.753 2.991 8.315 1.00 0.00 H new ATOM 0 HD21 LEU I 157 82.321 5.176 6.839 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.599 4.800 6.599 1.00 0.00 H new ATOM 0 HD23 LEU I 157 81.099 6.458 7.006 1.00 0.00 H new