USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 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 Set 1.1: C 80 MET CE :methyl -176:sc= -0.372 (180deg=-0.105) USER MOD Set 1.2: C 81 MET CE :methyl 149:sc= -10.5! (180deg=-13.4!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= -0.087 K(o=-0.087,f=-2!) USER MOD Single : C 13 THR OG1 : rot 180:sc= 0.00466 USER MOD Single : C 16 GLN : amide:sc= -2.88! K(o=-2.9!,f=-0.82) USER MOD Single : C 17 LYS NZ :NH3+ -156:sc= 0.116 (180deg=0.0219) USER MOD Single : C 18 ASN : amide:sc= -3.81! C(o=-3.8!,f=-6.5!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 73:sc= -1.08 USER MOD Single : C 37 SER OG : rot -144:sc= 0.554 USER MOD Single : C 38 THR OG1 : rot 180:sc= -0.668 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 -166:sc= -0.681 (180deg=-1.18) USER MOD Single : C 47 MET CE :methyl -147:sc= -1.28 (180deg=-3.88!) USER MOD Single : C 50 GLN : amide:sc= -0.0587 K(o=-0.059,f=-1.5!) USER MOD Single : C 51 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.54) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 58 GLN : amide:sc= -0.73 X(o=-0.73,f=-0.75) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 69 SER OG : rot 72:sc= -0.451 USER MOD Single : C 71 THR OG1 : rot -160:sc= -0.0791 USER MOD Single : C 84 CYS SG : rot -32:sc= -2.5! USER MOD Single : C 85 MET CE :methyl 162:sc= -1.14 (180deg=-2.74!) USER MOD Single : C 86 LYS NZ :NH3+ 145:sc= -0.153 (180deg=-1.03) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 157:sc= -0.457 (180deg=-2.02!) USER MOD Single : I 154 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 88.787 -15.901 0.276 1.00 0.00 N ATOM 64 CA TYR C 5 88.183 -14.608 0.578 1.00 0.00 C ATOM 65 C TYR C 5 86.863 -14.804 1.315 1.00 0.00 C ATOM 66 O TYR C 5 86.502 -14.022 2.194 1.00 0.00 O ATOM 67 CB TYR C 5 87.929 -13.823 -0.709 1.00 0.00 C ATOM 68 CG TYR C 5 89.249 -13.524 -1.378 1.00 0.00 C ATOM 69 CD1 TYR C 5 90.044 -12.467 -0.917 1.00 0.00 C ATOM 70 CD2 TYR C 5 89.681 -14.306 -2.456 1.00 0.00 C ATOM 71 CE1 TYR C 5 91.269 -12.192 -1.535 1.00 0.00 C ATOM 72 CE2 TYR C 5 90.907 -14.031 -3.074 1.00 0.00 C ATOM 73 CZ TYR C 5 91.701 -12.974 -2.614 1.00 0.00 C ATOM 74 OH TYR C 5 92.909 -12.702 -3.223 1.00 0.00 O ATOM 0 HA TYR C 5 88.873 -14.048 1.209 1.00 0.00 H new ATOM 0 HB2 TYR C 5 87.290 -14.398 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR C 5 87.403 -12.895 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR C 5 89.712 -11.864 -0.085 1.00 0.00 H new ATOM 0 HD2 TYR C 5 89.068 -15.122 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR C 5 91.882 -11.377 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR C 5 91.240 -14.634 -3.906 1.00 0.00 H new ATOM 0 HH TYR C 5 93.058 -13.339 -3.953 1.00 0.00 H new ATOM 84 N LYS C 6 86.150 -15.867 0.950 1.00 0.00 N ATOM 85 CA LYS C 6 84.872 -16.168 1.587 1.00 0.00 C ATOM 86 C LYS C 6 85.027 -16.161 3.103 1.00 0.00 C ATOM 87 O LYS C 6 84.224 -15.567 3.823 1.00 0.00 O ATOM 88 CB LYS C 6 84.362 -17.540 1.140 1.00 0.00 C ATOM 89 CG LYS C 6 83.586 -17.394 -0.170 1.00 0.00 C ATOM 90 CD LYS C 6 82.434 -16.407 0.025 1.00 0.00 C ATOM 91 CE LYS C 6 81.113 -17.084 -0.345 1.00 0.00 C ATOM 92 NZ LYS C 6 80.601 -17.848 0.828 1.00 0.00 N ATOM 0 H LYS C 6 86.432 -16.527 0.225 1.00 0.00 H new ATOM 0 HA LYS C 6 84.154 -15.404 1.290 1.00 0.00 H new ATOM 0 HB2 LYS C 6 85.199 -18.225 1.005 1.00 0.00 H new ATOM 0 HB3 LYS C 6 83.720 -17.970 1.909 1.00 0.00 H new ATOM 0 HG2 LYS C 6 84.249 -17.043 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS C 6 83.199 -18.363 -0.485 1.00 0.00 H new ATOM 0 HD2 LYS C 6 82.403 -16.068 1.060 1.00 0.00 H new ATOM 0 HD3 LYS C 6 82.589 -15.524 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS C 6 80.382 -16.336 -0.652 1.00 0.00 H new ATOM 0 HE3 LYS C 6 81.260 -17.753 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 79.703 -18.309 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 81.296 -18.571 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 80.446 -17.198 1.625 1.00 0.00 H new ATOM 106 N ALA C 7 86.078 -16.824 3.580 1.00 0.00 N ATOM 107 CA ALA C 7 86.341 -16.885 5.014 1.00 0.00 C ATOM 108 C ALA C 7 86.656 -15.492 5.549 1.00 0.00 C ATOM 109 O ALA C 7 85.961 -14.974 6.424 1.00 0.00 O ATOM 110 CB ALA C 7 87.525 -17.808 5.305 1.00 0.00 C ATOM 0 H ALA C 7 86.754 -17.321 3.001 1.00 0.00 H new ATOM 0 HA ALA C 7 85.450 -17.276 5.505 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.706 -17.840 6.379 1.00 0.00 H new ATOM 0 HB2 ALA C 7 87.301 -18.812 4.944 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.414 -17.431 4.799 1.00 0.00 H new ATOM 116 N ALA C 8 87.714 -14.893 5.009 1.00 0.00 N ATOM 117 CA ALA C 8 88.120 -13.556 5.432 1.00 0.00 C ATOM 118 C ALA C 8 86.910 -12.630 5.489 1.00 0.00 C ATOM 119 O ALA C 8 86.811 -11.764 6.359 1.00 0.00 O ATOM 120 CB ALA C 8 89.150 -12.978 4.461 1.00 0.00 C ATOM 0 H ALA C 8 88.301 -15.307 4.285 1.00 0.00 H new ATOM 0 HA ALA C 8 88.565 -13.634 6.424 1.00 0.00 H new ATOM 0 HB1 ALA C 8 89.442 -11.981 4.791 1.00 0.00 H new ATOM 0 HB2 ALA C 8 90.028 -13.623 4.435 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.715 -12.917 3.463 1.00 0.00 H new ATOM 126 N VAL C 9 85.987 -12.827 4.552 1.00 0.00 N ATOM 127 CA VAL C 9 84.779 -12.009 4.505 1.00 0.00 C ATOM 128 C VAL C 9 83.807 -12.454 5.591 1.00 0.00 C ATOM 129 O VAL C 9 82.986 -11.672 6.071 1.00 0.00 O ATOM 130 CB VAL C 9 84.096 -12.134 3.141 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.736 -11.434 3.180 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.974 -11.480 2.070 1.00 0.00 C ATOM 0 H VAL C 9 86.050 -13.537 3.823 1.00 0.00 H new ATOM 0 HA VAL C 9 85.064 -10.970 4.668 1.00 0.00 H new ATOM 0 HB VAL C 9 83.953 -13.188 2.904 1.00 0.00 H new ATOM 0 HG11 VAL C 9 82.252 -11.525 2.208 1.00 0.00 H new ATOM 0 HG12 VAL C 9 82.110 -11.898 3.942 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.876 -10.380 3.419 1.00 0.00 H new ATOM 0 HG21 VAL C 9 84.489 -11.568 1.098 1.00 0.00 H new ATOM 0 HG22 VAL C 9 85.117 -10.426 2.310 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.942 -11.979 2.039 1.00 0.00 H new ATOM 142 N GLU C 10 83.917 -13.721 5.978 1.00 0.00 N ATOM 143 CA GLU C 10 83.051 -14.269 7.016 1.00 0.00 C ATOM 144 C GLU C 10 83.682 -14.046 8.383 1.00 0.00 C ATOM 145 O GLU C 10 82.998 -14.010 9.406 1.00 0.00 O ATOM 146 CB GLU C 10 82.835 -15.768 6.802 1.00 0.00 C ATOM 147 CG GLU C 10 81.969 -15.987 5.561 1.00 0.00 C ATOM 148 CD GLU C 10 80.747 -16.817 5.935 1.00 0.00 C ATOM 149 OE1 GLU C 10 79.897 -16.300 6.641 1.00 0.00 O ATOM 150 OE2 GLU C 10 80.678 -17.959 5.510 1.00 0.00 O ATOM 0 H GLU C 10 84.591 -14.382 5.592 1.00 0.00 H new ATOM 0 HA GLU C 10 82.088 -13.761 6.964 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.795 -16.271 6.682 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.353 -16.205 7.676 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.658 -15.028 5.148 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.545 -16.496 4.788 1.00 0.00 H new ATOM 157 N GLN C 11 85.002 -13.891 8.382 1.00 0.00 N ATOM 158 CA GLN C 11 85.738 -13.664 9.620 1.00 0.00 C ATOM 159 C GLN C 11 85.255 -12.386 10.295 1.00 0.00 C ATOM 160 O GLN C 11 85.064 -12.341 11.510 1.00 0.00 O ATOM 161 CB GLN C 11 87.233 -13.533 9.333 1.00 0.00 C ATOM 162 CG GLN C 11 87.771 -14.857 8.787 1.00 0.00 C ATOM 163 CD GLN C 11 89.261 -14.962 9.092 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.873 -14.005 9.568 1.00 0.00 O ATOM 165 NE2 GLN C 11 89.890 -16.079 8.844 1.00 0.00 N ATOM 0 H GLN C 11 85.581 -13.918 7.543 1.00 0.00 H new ATOM 0 HA GLN C 11 85.564 -14.516 10.278 1.00 0.00 H new ATOM 0 HB2 GLN C 11 87.406 -12.734 8.612 1.00 0.00 H new ATOM 0 HB3 GLN C 11 87.766 -13.261 10.244 1.00 0.00 H new ATOM 0 HG2 GLN C 11 87.236 -15.693 9.238 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.604 -14.914 7.711 1.00 0.00 H new ATOM 0 HE21 GLN C 11 89.384 -16.872 8.450 1.00 0.00 H new ATOM 0 HE22 GLN C 11 90.887 -16.158 9.044 1.00 0.00 H new ATOM 174 N LEU C 12 85.065 -11.343 9.491 1.00 0.00 N ATOM 175 CA LEU C 12 84.609 -10.063 10.021 1.00 0.00 C ATOM 176 C LEU C 12 83.379 -10.259 10.899 1.00 0.00 C ATOM 177 O LEU C 12 82.321 -10.674 10.427 1.00 0.00 O ATOM 178 CB LEU C 12 84.262 -9.099 8.884 1.00 0.00 C ATOM 179 CG LEU C 12 85.370 -9.117 7.826 1.00 0.00 C ATOM 180 CD1 LEU C 12 85.244 -7.877 6.938 1.00 0.00 C ATOM 181 CD2 LEU C 12 86.741 -9.111 8.510 1.00 0.00 C ATOM 0 H LEU C 12 85.218 -11.358 8.483 1.00 0.00 H new ATOM 0 HA LEU C 12 85.419 -9.640 10.616 1.00 0.00 H new ATOM 0 HB2 LEU C 12 83.312 -9.383 8.432 1.00 0.00 H new ATOM 0 HB3 LEU C 12 84.139 -8.090 9.277 1.00 0.00 H new ATOM 0 HG LEU C 12 85.273 -10.017 7.219 1.00 0.00 H new ATOM 0 HD11 LEU C 12 86.031 -7.888 6.184 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.271 -7.879 6.446 1.00 0.00 H new ATOM 0 HD13 LEU C 12 85.340 -6.980 7.550 1.00 0.00 H new ATOM 0 HD21 LEU C 12 87.525 -9.124 7.753 1.00 0.00 H new ATOM 0 HD22 LEU C 12 86.840 -8.213 9.119 1.00 0.00 H new ATOM 0 HD23 LEU C 12 86.835 -9.992 9.145 1.00 0.00 H new ATOM 193 N THR C 13 83.531 -9.956 12.185 1.00 0.00 N ATOM 194 CA THR C 13 82.425 -10.102 13.128 1.00 0.00 C ATOM 195 C THR C 13 81.364 -9.034 12.879 1.00 0.00 C ATOM 196 O THR C 13 81.621 -8.025 12.222 1.00 0.00 O ATOM 197 CB THR C 13 82.927 -9.978 14.569 1.00 0.00 C ATOM 198 OG1 THR C 13 84.187 -10.625 14.687 1.00 0.00 O ATOM 199 CG2 THR C 13 81.924 -10.631 15.521 1.00 0.00 C ATOM 0 H THR C 13 84.399 -9.611 12.595 1.00 0.00 H new ATOM 0 HA THR C 13 81.988 -11.090 12.979 1.00 0.00 H new ATOM 0 HB THR C 13 83.033 -8.924 14.827 1.00 0.00 H new ATOM 0 HG1 THR C 13 84.511 -10.545 15.609 1.00 0.00 H new ATOM 0 HG21 THR C 13 82.284 -10.541 16.546 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.959 -10.133 15.430 1.00 0.00 H new ATOM 0 HG23 THR C 13 81.814 -11.685 15.266 1.00 0.00 H new ATOM 207 N GLU C 14 80.168 -9.269 13.412 1.00 0.00 N ATOM 208 CA GLU C 14 79.069 -8.322 13.244 1.00 0.00 C ATOM 209 C GLU C 14 79.555 -6.897 13.484 1.00 0.00 C ATOM 210 O GLU C 14 78.997 -5.936 12.956 1.00 0.00 O ATOM 211 CB GLU C 14 77.940 -8.635 14.229 1.00 0.00 C ATOM 212 CG GLU C 14 76.649 -8.914 13.458 1.00 0.00 C ATOM 213 CD GLU C 14 76.652 -10.357 12.964 1.00 0.00 C ATOM 214 OE1 GLU C 14 77.724 -10.934 12.886 1.00 0.00 O ATOM 215 OE2 GLU C 14 75.581 -10.865 12.672 1.00 0.00 O ATOM 0 H GLU C 14 79.936 -10.098 13.959 1.00 0.00 H new ATOM 0 HA GLU C 14 78.697 -8.413 12.223 1.00 0.00 H new ATOM 0 HB2 GLU C 14 78.205 -9.499 14.839 1.00 0.00 H new ATOM 0 HB3 GLU C 14 77.795 -7.796 14.910 1.00 0.00 H new ATOM 0 HG2 GLU C 14 75.785 -8.740 14.100 1.00 0.00 H new ATOM 0 HG3 GLU C 14 76.562 -8.230 12.614 1.00 0.00 H new ATOM 222 N GLU C 15 80.606 -6.775 14.289 1.00 0.00 N ATOM 223 CA GLU C 15 81.172 -5.465 14.602 1.00 0.00 C ATOM 224 C GLU C 15 81.578 -4.735 13.335 1.00 0.00 C ATOM 225 O GLU C 15 81.286 -3.552 13.159 1.00 0.00 O ATOM 226 CB GLU C 15 82.417 -5.613 15.470 1.00 0.00 C ATOM 227 CG GLU C 15 82.089 -6.462 16.698 1.00 0.00 C ATOM 228 CD GLU C 15 83.241 -6.385 17.694 1.00 0.00 C ATOM 229 OE1 GLU C 15 83.490 -5.303 18.199 1.00 0.00 O ATOM 230 OE2 GLU C 15 83.856 -7.410 17.938 1.00 0.00 O ATOM 0 H GLU C 15 81.081 -7.560 14.734 1.00 0.00 H new ATOM 0 HA GLU C 15 80.404 -4.900 15.131 1.00 0.00 H new ATOM 0 HB2 GLU C 15 83.219 -6.079 14.897 1.00 0.00 H new ATOM 0 HB3 GLU C 15 82.775 -4.631 15.779 1.00 0.00 H new ATOM 0 HG2 GLU C 15 81.169 -6.108 17.163 1.00 0.00 H new ATOM 0 HG3 GLU C 15 81.919 -7.497 16.402 1.00 0.00 H new ATOM 237 N GLN C 16 82.272 -5.449 12.458 1.00 0.00 N ATOM 238 CA GLN C 16 82.731 -4.845 11.213 1.00 0.00 C ATOM 239 C GLN C 16 81.652 -4.936 10.138 1.00 0.00 C ATOM 240 O GLN C 16 81.472 -4.014 9.343 1.00 0.00 O ATOM 241 CB GLN C 16 84.026 -5.496 10.691 1.00 0.00 C ATOM 242 CG GLN C 16 84.505 -6.603 11.637 1.00 0.00 C ATOM 243 CD GLN C 16 86.006 -6.825 11.456 1.00 0.00 C ATOM 244 OE1 GLN C 16 86.649 -7.453 12.297 1.00 0.00 O ATOM 245 NE2 GLN C 16 86.609 -6.347 10.400 1.00 0.00 N ATOM 0 H GLN C 16 82.526 -6.429 12.581 1.00 0.00 H new ATOM 0 HA GLN C 16 82.943 -3.799 11.434 1.00 0.00 H new ATOM 0 HB2 GLN C 16 83.854 -5.911 9.698 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.803 -4.738 10.590 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.291 -6.329 12.670 1.00 0.00 H new ATOM 0 HG3 GLN C 16 83.964 -7.527 11.433 1.00 0.00 H new ATOM 0 HE21 GLN C 16 86.078 -5.826 9.702 1.00 0.00 H new ATOM 0 HE22 GLN C 16 87.610 -6.495 10.274 1.00 0.00 H new ATOM 254 N LYS C 17 80.936 -6.056 10.121 1.00 0.00 N ATOM 255 CA LYS C 17 79.875 -6.255 9.137 1.00 0.00 C ATOM 256 C LYS C 17 78.872 -5.104 9.183 1.00 0.00 C ATOM 257 O LYS C 17 78.384 -4.646 8.150 1.00 0.00 O ATOM 258 CB LYS C 17 79.132 -7.565 9.410 1.00 0.00 C ATOM 259 CG LYS C 17 80.114 -8.736 9.341 1.00 0.00 C ATOM 260 CD LYS C 17 80.468 -9.020 7.881 1.00 0.00 C ATOM 261 CE LYS C 17 79.379 -9.891 7.251 1.00 0.00 C ATOM 262 NZ LYS C 17 79.924 -11.254 6.988 1.00 0.00 N ATOM 0 H LYS C 17 81.068 -6.832 10.769 1.00 0.00 H new ATOM 0 HA LYS C 17 80.339 -6.293 8.152 1.00 0.00 H new ATOM 0 HB2 LYS C 17 78.661 -7.530 10.392 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.335 -7.702 8.679 1.00 0.00 H new ATOM 0 HG2 LYS C 17 81.016 -8.501 9.906 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.673 -9.622 9.798 1.00 0.00 H new ATOM 0 HD2 LYS C 17 80.564 -8.084 7.330 1.00 0.00 H new ATOM 0 HD3 LYS C 17 81.432 -9.525 7.821 1.00 0.00 H new ATOM 0 HE2 LYS C 17 78.518 -9.954 7.917 1.00 0.00 H new ATOM 0 HE3 LYS C 17 79.031 -9.441 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 79.376 -11.706 6.228 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 80.920 -11.180 6.699 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 79.856 -11.828 7.853 1.00 0.00 H new ATOM 276 N ASN C 18 78.561 -4.652 10.394 1.00 0.00 N ATOM 277 CA ASN C 18 77.601 -3.562 10.570 1.00 0.00 C ATOM 278 C ASN C 18 78.248 -2.205 10.303 1.00 0.00 C ATOM 279 O ASN C 18 77.934 -1.537 9.317 1.00 0.00 O ATOM 280 CB ASN C 18 77.042 -3.572 11.994 1.00 0.00 C ATOM 281 CG ASN C 18 76.672 -4.998 12.388 1.00 0.00 C ATOM 282 OD1 ASN C 18 76.430 -5.845 11.527 1.00 0.00 O ATOM 283 ND2 ASN C 18 76.615 -5.318 13.652 1.00 0.00 N ATOM 0 H ASN C 18 78.954 -5.018 11.261 1.00 0.00 H new ATOM 0 HA ASN C 18 76.795 -3.717 9.853 1.00 0.00 H new ATOM 0 HB2 ASN C 18 77.781 -3.172 12.688 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.165 -2.928 12.056 1.00 0.00 H new ATOM 0 HD21 ASN C 18 76.370 -6.269 13.927 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.815 -4.617 14.365 1.00 0.00 H new ATOM 290 N GLU C 19 79.144 -1.799 11.198 1.00 0.00 N ATOM 291 CA GLU C 19 79.819 -0.510 11.057 1.00 0.00 C ATOM 292 C GLU C 19 80.125 -0.216 9.592 1.00 0.00 C ATOM 293 O GLU C 19 79.989 0.917 9.132 1.00 0.00 O ATOM 294 CB GLU C 19 81.128 -0.499 11.849 1.00 0.00 C ATOM 295 CG GLU C 19 82.012 -1.657 11.387 1.00 0.00 C ATOM 296 CD GLU C 19 82.921 -1.184 10.258 1.00 0.00 C ATOM 297 OE1 GLU C 19 82.830 -0.021 9.899 1.00 0.00 O ATOM 298 OE2 GLU C 19 83.693 -1.991 9.768 1.00 0.00 O ATOM 0 H GLU C 19 79.418 -2.336 12.021 1.00 0.00 H new ATOM 0 HA GLU C 19 79.150 0.257 11.447 1.00 0.00 H new ATOM 0 HB2 GLU C 19 81.646 0.449 11.703 1.00 0.00 H new ATOM 0 HB3 GLU C 19 80.921 -0.588 12.915 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.611 -2.026 12.220 1.00 0.00 H new ATOM 0 HG3 GLU C 19 81.393 -2.487 11.046 1.00 0.00 H new ATOM 305 N PHE C 20 80.540 -1.248 8.861 1.00 0.00 N ATOM 306 CA PHE C 20 80.861 -1.081 7.446 1.00 0.00 C ATOM 307 C PHE C 20 79.674 -0.480 6.700 1.00 0.00 C ATOM 308 O PHE C 20 79.770 0.600 6.117 1.00 0.00 O ATOM 309 CB PHE C 20 81.214 -2.427 6.813 1.00 0.00 C ATOM 310 CG PHE C 20 82.701 -2.491 6.561 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.369 -1.388 6.015 1.00 0.00 C ATOM 312 CD2 PHE C 20 83.413 -3.656 6.873 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.748 -1.451 5.780 1.00 0.00 C ATOM 314 CE2 PHE C 20 84.792 -3.719 6.638 1.00 0.00 C ATOM 315 CZ PHE C 20 85.459 -2.616 6.092 1.00 0.00 C ATOM 0 H PHE C 20 80.661 -2.196 9.218 1.00 0.00 H new ATOM 0 HA PHE C 20 81.717 -0.410 7.373 1.00 0.00 H new ATOM 0 HB2 PHE C 20 80.911 -3.241 7.471 1.00 0.00 H new ATOM 0 HB3 PHE C 20 80.670 -2.554 5.877 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.821 -0.489 5.775 1.00 0.00 H new ATOM 0 HD2 PHE C 20 82.898 -4.506 7.295 1.00 0.00 H new ATOM 0 HE1 PHE C 20 85.263 -0.601 5.358 1.00 0.00 H new ATOM 0 HE2 PHE C 20 85.341 -4.618 6.878 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.523 -2.664 5.911 1.00 0.00 H new ATOM 325 N LYS C 21 78.553 -1.195 6.727 1.00 0.00 N ATOM 326 CA LYS C 21 77.346 -0.731 6.051 1.00 0.00 C ATOM 327 C LYS C 21 77.179 0.774 6.231 1.00 0.00 C ATOM 328 O LYS C 21 76.792 1.485 5.303 1.00 0.00 O ATOM 329 CB LYS C 21 76.114 -1.443 6.612 1.00 0.00 C ATOM 330 CG LYS C 21 76.288 -2.956 6.459 1.00 0.00 C ATOM 331 CD LYS C 21 74.964 -3.584 6.016 1.00 0.00 C ATOM 332 CE LYS C 21 75.189 -5.058 5.670 1.00 0.00 C ATOM 333 NZ LYS C 21 75.092 -5.879 6.910 1.00 0.00 N ATOM 0 H LYS C 21 78.455 -2.091 7.205 1.00 0.00 H new ATOM 0 HA LYS C 21 77.444 -0.959 4.990 1.00 0.00 H new ATOM 0 HB2 LYS C 21 75.978 -1.186 7.663 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.218 -1.114 6.085 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.067 -3.170 5.727 1.00 0.00 H new ATOM 0 HG3 LYS C 21 76.611 -3.392 7.404 1.00 0.00 H new ATOM 0 HD2 LYS C 21 74.223 -3.495 6.811 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.569 -3.052 5.150 1.00 0.00 H new ATOM 0 HE2 LYS C 21 74.448 -5.389 4.943 1.00 0.00 H new ATOM 0 HE3 LYS C 21 76.168 -5.189 5.210 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 75.245 -6.881 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 75.815 -5.568 7.590 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 74.148 -5.762 7.331 1.00 0.00 H new ATOM 347 N ALA C 22 77.478 1.253 7.435 1.00 0.00 N ATOM 348 CA ALA C 22 77.359 2.679 7.725 1.00 0.00 C ATOM 349 C ALA C 22 77.992 3.502 6.607 1.00 0.00 C ATOM 350 O ALA C 22 77.317 4.278 5.930 1.00 0.00 O ATOM 351 CB ALA C 22 78.048 3.019 9.048 1.00 0.00 C ATOM 0 H ALA C 22 77.801 0.683 8.217 1.00 0.00 H new ATOM 0 HA ALA C 22 76.299 2.920 7.800 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.948 4.086 9.246 1.00 0.00 H new ATOM 0 HB2 ALA C 22 77.583 2.455 9.856 1.00 0.00 H new ATOM 0 HB3 ALA C 22 79.105 2.759 8.985 1.00 0.00 H new ATOM 357 N ALA C 23 79.297 3.323 6.420 1.00 0.00 N ATOM 358 CA ALA C 23 80.013 4.053 5.378 1.00 0.00 C ATOM 359 C ALA C 23 79.587 3.559 4.000 1.00 0.00 C ATOM 360 O ALA C 23 79.426 4.342 3.064 1.00 0.00 O ATOM 361 CB ALA C 23 81.522 3.869 5.535 1.00 0.00 C ATOM 0 H ALA C 23 79.875 2.687 6.969 1.00 0.00 H new ATOM 0 HA ALA C 23 79.769 5.111 5.476 1.00 0.00 H new ATOM 0 HB1 ALA C 23 82.039 4.420 4.750 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.835 4.245 6.509 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.769 2.810 5.458 1.00 0.00 H new ATOM 367 N PHE C 24 79.396 2.249 3.892 1.00 0.00 N ATOM 368 CA PHE C 24 78.972 1.656 2.629 1.00 0.00 C ATOM 369 C PHE C 24 77.640 2.273 2.204 1.00 0.00 C ATOM 370 O PHE C 24 77.273 2.254 1.029 1.00 0.00 O ATOM 371 CB PHE C 24 78.840 0.131 2.785 1.00 0.00 C ATOM 372 CG PHE C 24 77.821 -0.428 1.815 1.00 0.00 C ATOM 373 CD1 PHE C 24 77.937 -0.168 0.445 1.00 0.00 C ATOM 374 CD2 PHE C 24 76.762 -1.208 2.294 1.00 0.00 C ATOM 375 CE1 PHE C 24 76.992 -0.688 -0.448 1.00 0.00 C ATOM 376 CE2 PHE C 24 75.817 -1.729 1.401 1.00 0.00 C ATOM 377 CZ PHE C 24 75.932 -1.468 0.030 1.00 0.00 C ATOM 0 H PHE C 24 79.526 1.584 4.654 1.00 0.00 H new ATOM 0 HA PHE C 24 79.717 1.858 1.859 1.00 0.00 H new ATOM 0 HB2 PHE C 24 79.808 -0.341 2.613 1.00 0.00 H new ATOM 0 HB3 PHE C 24 78.545 -0.109 3.806 1.00 0.00 H new ATOM 0 HD1 PHE C 24 78.755 0.433 0.077 1.00 0.00 H new ATOM 0 HD2 PHE C 24 76.674 -1.408 3.352 1.00 0.00 H new ATOM 0 HE1 PHE C 24 77.081 -0.487 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE C 24 75.000 -2.332 1.770 1.00 0.00 H new ATOM 0 HZ PHE C 24 75.203 -1.868 -0.659 1.00 0.00 H new ATOM 387 N ASP C 25 76.929 2.826 3.182 1.00 0.00 N ATOM 388 CA ASP C 25 75.640 3.460 2.922 1.00 0.00 C ATOM 389 C ASP C 25 75.825 4.928 2.532 1.00 0.00 C ATOM 390 O ASP C 25 74.854 5.646 2.295 1.00 0.00 O ATOM 391 CB ASP C 25 74.753 3.382 4.167 1.00 0.00 C ATOM 392 CG ASP C 25 73.632 2.376 3.930 1.00 0.00 C ATOM 393 OD1 ASP C 25 73.204 2.252 2.794 1.00 0.00 O ATOM 394 OD2 ASP C 25 73.217 1.744 4.888 1.00 0.00 O ATOM 0 H ASP C 25 77.222 2.848 4.159 1.00 0.00 H new ATOM 0 HA ASP C 25 75.165 2.929 2.097 1.00 0.00 H new ATOM 0 HB2 ASP C 25 75.347 3.084 5.031 1.00 0.00 H new ATOM 0 HB3 ASP C 25 74.334 4.363 4.390 1.00 0.00 H new ATOM 399 N ILE C 26 77.082 5.370 2.473 1.00 0.00 N ATOM 400 CA ILE C 26 77.377 6.757 2.117 1.00 0.00 C ATOM 401 C ILE C 26 77.947 6.834 0.706 1.00 0.00 C ATOM 402 O ILE C 26 77.798 7.840 0.014 1.00 0.00 O ATOM 403 CB ILE C 26 78.398 7.366 3.081 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.353 6.643 4.436 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.086 8.851 3.277 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.157 7.129 5.255 1.00 0.00 C ATOM 0 H ILE C 26 77.903 4.795 2.665 1.00 0.00 H new ATOM 0 HA ILE C 26 76.442 7.314 2.176 1.00 0.00 H new ATOM 0 HB ILE C 26 79.397 7.253 2.659 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.283 5.567 4.280 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.277 6.826 4.985 1.00 0.00 H new ATOM 0 HG21 ILE C 26 78.812 9.288 3.963 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.140 9.364 2.317 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.084 8.961 3.691 1.00 0.00 H new ATOM 0 HD11 ILE C 26 77.136 6.609 6.213 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.245 8.202 5.426 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.235 6.923 4.711 1.00 0.00 H new ATOM 418 N PHE C 27 78.613 5.762 0.292 1.00 0.00 N ATOM 419 CA PHE C 27 79.215 5.719 -1.036 1.00 0.00 C ATOM 420 C PHE C 27 78.135 5.719 -2.114 1.00 0.00 C ATOM 421 O PHE C 27 78.251 6.404 -3.129 1.00 0.00 O ATOM 422 CB PHE C 27 80.081 4.467 -1.196 1.00 0.00 C ATOM 423 CG PHE C 27 80.819 4.184 0.094 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.107 5.226 0.985 1.00 0.00 C ATOM 425 CD2 PHE C 27 81.215 2.877 0.398 1.00 0.00 C ATOM 426 CE1 PHE C 27 81.789 4.960 2.178 1.00 0.00 C ATOM 427 CE2 PHE C 27 81.898 2.612 1.591 1.00 0.00 C ATOM 428 CZ PHE C 27 82.185 3.652 2.481 1.00 0.00 C ATOM 0 H PHE C 27 78.749 4.919 0.850 1.00 0.00 H new ATOM 0 HA PHE C 27 79.839 6.606 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.457 3.614 -1.463 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.793 4.608 -2.009 1.00 0.00 H new ATOM 0 HD1 PHE C 27 80.803 6.235 0.751 1.00 0.00 H new ATOM 0 HD2 PHE C 27 80.994 2.072 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE C 27 82.010 5.764 2.865 1.00 0.00 H new ATOM 0 HE2 PHE C 27 82.204 1.603 1.824 1.00 0.00 H new ATOM 0 HZ PHE C 27 82.712 3.446 3.401 1.00 0.00 H new ATOM 438 N VAL C 28 77.080 4.942 -1.881 1.00 0.00 N ATOM 439 CA VAL C 28 75.981 4.858 -2.840 1.00 0.00 C ATOM 440 C VAL C 28 74.729 5.520 -2.275 1.00 0.00 C ATOM 441 O VAL C 28 73.609 5.224 -2.691 1.00 0.00 O ATOM 442 CB VAL C 28 75.669 3.398 -3.169 1.00 0.00 C ATOM 443 CG1 VAL C 28 76.802 2.815 -4.015 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.542 2.600 -1.870 1.00 0.00 C ATOM 0 H VAL C 28 76.963 4.367 -1.046 1.00 0.00 H new ATOM 0 HA VAL C 28 76.287 5.377 -3.749 1.00 0.00 H new ATOM 0 HB VAL C 28 74.733 3.341 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL C 28 76.581 1.774 -4.251 1.00 0.00 H new ATOM 0 HG12 VAL C 28 76.896 3.384 -4.940 1.00 0.00 H new ATOM 0 HG13 VAL C 28 77.737 2.871 -3.458 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.319 1.559 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.479 2.656 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.737 3.016 -1.264 1.00 0.00 H new ATOM 454 N LEU C 29 74.934 6.418 -1.316 1.00 0.00 N ATOM 455 CA LEU C 29 73.817 7.121 -0.690 1.00 0.00 C ATOM 456 C LEU C 29 73.042 7.940 -1.721 1.00 0.00 C ATOM 457 O LEU C 29 71.933 8.407 -1.461 1.00 0.00 O ATOM 458 CB LEU C 29 74.325 8.033 0.443 1.00 0.00 C ATOM 459 CG LEU C 29 74.649 9.438 -0.086 1.00 0.00 C ATOM 460 CD1 LEU C 29 75.208 10.297 1.050 1.00 0.00 C ATOM 461 CD2 LEU C 29 75.684 9.349 -1.211 1.00 0.00 C ATOM 0 H LEU C 29 75.854 6.675 -0.957 1.00 0.00 H new ATOM 0 HA LEU C 29 73.142 6.377 -0.267 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.570 8.100 1.227 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.216 7.596 0.895 1.00 0.00 H new ATOM 0 HG LEU C 29 73.736 9.890 -0.473 1.00 0.00 H new ATOM 0 HD11 LEU C 29 75.438 11.294 0.673 1.00 0.00 H new ATOM 0 HD12 LEU C 29 74.469 10.372 1.847 1.00 0.00 H new ATOM 0 HD13 LEU C 29 76.117 9.838 1.440 1.00 0.00 H new ATOM 0 HD21 LEU C 29 75.907 10.350 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU C 29 76.597 8.890 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU C 29 75.286 8.743 -2.025 1.00 0.00 H new ATOM 473 N GLY C 30 73.642 8.104 -2.892 1.00 0.00 N ATOM 474 CA GLY C 30 73.010 8.866 -3.966 1.00 0.00 C ATOM 475 C GLY C 30 73.193 8.156 -5.302 1.00 0.00 C ATOM 476 O GLY C 30 73.297 8.791 -6.351 1.00 0.00 O ATOM 0 H GLY C 30 74.559 7.723 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.948 8.990 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.444 9.865 -4.016 1.00 0.00 H new ATOM 480 N ALA C 31 73.236 6.828 -5.248 1.00 0.00 N ATOM 481 CA ALA C 31 73.412 6.029 -6.458 1.00 0.00 C ATOM 482 C ALA C 31 72.064 5.553 -6.984 1.00 0.00 C ATOM 483 O ALA C 31 71.020 5.794 -6.377 1.00 0.00 O ATOM 484 CB ALA C 31 74.295 4.813 -6.171 1.00 0.00 C ATOM 0 H ALA C 31 73.152 6.286 -4.388 1.00 0.00 H new ATOM 0 HA ALA C 31 73.892 6.657 -7.209 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.416 4.228 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.272 5.147 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA C 31 73.827 4.196 -5.404 1.00 0.00 H new ATOM 490 N GLU C 32 72.101 4.875 -8.126 1.00 0.00 N ATOM 491 CA GLU C 32 70.880 4.367 -8.741 1.00 0.00 C ATOM 492 C GLU C 32 70.596 2.942 -8.274 1.00 0.00 C ATOM 493 O GLU C 32 69.455 2.481 -8.300 1.00 0.00 O ATOM 494 CB GLU C 32 71.014 4.375 -10.264 1.00 0.00 C ATOM 495 CG GLU C 32 69.927 5.266 -10.869 1.00 0.00 C ATOM 496 CD GLU C 32 69.358 4.600 -12.116 1.00 0.00 C ATOM 497 OE1 GLU C 32 70.080 4.504 -13.095 1.00 0.00 O ATOM 498 OE2 GLU C 32 68.208 4.194 -12.075 1.00 0.00 O ATOM 0 H GLU C 32 72.956 4.666 -8.641 1.00 0.00 H new ATOM 0 HA GLU C 32 70.056 5.014 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU C 32 72.000 4.741 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.925 3.360 -10.653 1.00 0.00 H new ATOM 0 HG2 GLU C 32 69.134 5.436 -10.141 1.00 0.00 H new ATOM 0 HG3 GLU C 32 70.341 6.242 -11.122 1.00 0.00 H new ATOM 505 N ASP C 33 71.649 2.248 -7.849 1.00 0.00 N ATOM 506 CA ASP C 33 71.501 0.872 -7.382 1.00 0.00 C ATOM 507 C ASP C 33 72.264 0.660 -6.075 1.00 0.00 C ATOM 508 O ASP C 33 71.741 0.916 -4.990 1.00 0.00 O ATOM 509 CB ASP C 33 72.019 -0.109 -8.438 1.00 0.00 C ATOM 510 CG ASP C 33 73.140 0.547 -9.240 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.185 0.797 -8.663 1.00 0.00 O ATOM 512 OD2 ASP C 33 72.935 0.790 -10.417 1.00 0.00 O ATOM 0 H ASP C 33 72.602 2.610 -7.818 1.00 0.00 H new ATOM 0 HA ASP C 33 70.441 0.688 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP C 33 72.385 -1.016 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.208 -0.405 -9.103 1.00 0.00 H new ATOM 517 N GLY C 34 73.505 0.187 -6.186 1.00 0.00 N ATOM 518 CA GLY C 34 74.324 -0.056 -5.002 1.00 0.00 C ATOM 519 C GLY C 34 75.802 -0.114 -5.369 1.00 0.00 C ATOM 520 O GLY C 34 76.600 -0.767 -4.695 1.00 0.00 O ATOM 0 H GLY C 34 73.960 -0.033 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY C 34 74.157 0.735 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY C 34 74.024 -0.993 -4.533 1.00 0.00 H new ATOM 524 N CYS C 35 76.158 0.578 -6.447 1.00 0.00 N ATOM 525 CA CYS C 35 77.545 0.603 -6.900 1.00 0.00 C ATOM 526 C CYS C 35 78.158 1.976 -6.641 1.00 0.00 C ATOM 527 O CYS C 35 77.482 2.999 -6.732 1.00 0.00 O ATOM 528 CB CYS C 35 77.627 0.291 -8.396 1.00 0.00 C ATOM 529 SG CYS C 35 76.510 -1.078 -8.791 1.00 0.00 S ATOM 0 H CYS C 35 75.513 1.124 -7.018 1.00 0.00 H new ATOM 0 HA CYS C 35 78.098 -0.155 -6.345 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.358 1.173 -8.977 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.650 0.030 -8.668 1.00 0.00 H new ATOM 0 HG CYS C 35 75.280 -0.660 -8.749 1.00 0.00 H new ATOM 535 N ILE C 36 79.448 1.986 -6.315 1.00 0.00 N ATOM 536 CA ILE C 36 80.143 3.241 -6.039 1.00 0.00 C ATOM 537 C ILE C 36 80.758 3.806 -7.315 1.00 0.00 C ATOM 538 O ILE C 36 80.942 3.096 -8.304 1.00 0.00 O ATOM 539 CB ILE C 36 81.254 3.025 -5.010 1.00 0.00 C ATOM 540 CG1 ILE C 36 80.681 2.311 -3.783 1.00 0.00 C ATOM 541 CG2 ILE C 36 81.829 4.378 -4.588 1.00 0.00 C ATOM 542 CD1 ILE C 36 81.789 1.510 -3.096 1.00 0.00 C ATOM 0 H ILE C 36 80.028 1.150 -6.236 1.00 0.00 H new ATOM 0 HA ILE C 36 79.411 3.946 -5.644 1.00 0.00 H new ATOM 0 HB ILE C 36 82.043 2.416 -5.451 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.260 3.039 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE C 36 79.869 1.648 -4.081 1.00 0.00 H new ATOM 0 HG21 ILE C 36 82.621 4.224 -3.855 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.237 4.888 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.040 4.987 -4.147 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.382 1.001 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE C 36 82.189 0.772 -3.791 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.586 2.185 -2.784 1.00 0.00 H new ATOM 554 N SER C 37 81.077 5.096 -7.276 1.00 0.00 N ATOM 555 CA SER C 37 81.676 5.759 -8.429 1.00 0.00 C ATOM 556 C SER C 37 82.831 6.650 -7.982 1.00 0.00 C ATOM 557 O SER C 37 82.799 7.239 -6.901 1.00 0.00 O ATOM 558 CB SER C 37 80.628 6.604 -9.164 1.00 0.00 C ATOM 559 OG SER C 37 81.079 7.950 -9.267 1.00 0.00 O ATOM 0 H SER C 37 80.932 5.699 -6.466 1.00 0.00 H new ATOM 0 HA SER C 37 82.054 4.995 -9.108 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.449 6.194 -10.158 1.00 0.00 H new ATOM 0 HB3 SER C 37 79.679 6.569 -8.629 1.00 0.00 H new ATOM 0 HG SER C 37 80.316 8.558 -9.180 1.00 0.00 H new ATOM 565 N THR C 38 83.853 6.740 -8.827 1.00 0.00 N ATOM 566 CA THR C 38 85.019 7.561 -8.512 1.00 0.00 C ATOM 567 C THR C 38 84.589 8.853 -7.826 1.00 0.00 C ATOM 568 O THR C 38 85.081 9.196 -6.752 1.00 0.00 O ATOM 569 CB THR C 38 85.795 7.906 -9.787 1.00 0.00 C ATOM 570 OG1 THR C 38 85.107 8.927 -10.495 1.00 0.00 O ATOM 571 CG2 THR C 38 85.916 6.663 -10.669 1.00 0.00 C ATOM 0 H THR C 38 83.899 6.261 -9.726 1.00 0.00 H new ATOM 0 HA THR C 38 85.662 6.989 -7.842 1.00 0.00 H new ATOM 0 HB THR C 38 86.793 8.255 -9.521 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.603 9.151 -11.310 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.468 6.912 -11.575 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.445 5.881 -10.125 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.921 6.309 -10.937 1.00 0.00 H new ATOM 579 N LYS C 39 83.664 9.566 -8.462 1.00 0.00 N ATOM 580 CA LYS C 39 83.170 10.824 -7.908 1.00 0.00 C ATOM 581 C LYS C 39 82.303 10.568 -6.679 1.00 0.00 C ATOM 582 O LYS C 39 82.429 11.247 -5.660 1.00 0.00 O ATOM 583 CB LYS C 39 82.342 11.579 -8.950 1.00 0.00 C ATOM 584 CG LYS C 39 82.014 12.977 -8.424 1.00 0.00 C ATOM 585 CD LYS C 39 82.830 14.016 -9.193 1.00 0.00 C ATOM 586 CE LYS C 39 82.056 15.334 -9.249 1.00 0.00 C ATOM 587 NZ LYS C 39 82.836 16.399 -8.558 1.00 0.00 N ATOM 0 H LYS C 39 83.244 9.298 -9.352 1.00 0.00 H new ATOM 0 HA LYS C 39 84.034 11.424 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS C 39 82.895 11.652 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS C 39 81.423 11.034 -9.164 1.00 0.00 H new ATOM 0 HG2 LYS C 39 80.949 13.179 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.238 13.038 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS C 39 83.794 14.169 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS C 39 83.034 13.659 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS C 39 81.874 15.617 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS C 39 81.082 15.216 -8.775 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 82.310 17.295 -8.596 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 82.988 16.129 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 83.755 16.517 -9.030 1.00 0.00 H new ATOM 601 N GLU C 40 81.419 9.582 -6.789 1.00 0.00 N ATOM 602 CA GLU C 40 80.527 9.243 -5.683 1.00 0.00 C ATOM 603 C GLU C 40 81.329 8.831 -4.453 1.00 0.00 C ATOM 604 O GLU C 40 80.865 8.961 -3.321 1.00 0.00 O ATOM 605 CB GLU C 40 79.601 8.092 -6.076 1.00 0.00 C ATOM 606 CG GLU C 40 78.213 8.324 -5.476 1.00 0.00 C ATOM 607 CD GLU C 40 77.603 9.585 -6.077 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.156 9.520 -7.210 1.00 0.00 O ATOM 609 OE2 GLU C 40 77.590 10.597 -5.396 1.00 0.00 O ATOM 0 H GLU C 40 81.300 9.008 -7.624 1.00 0.00 H new ATOM 0 HA GLU C 40 79.934 10.127 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU C 40 79.532 8.021 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU C 40 80.009 7.146 -5.720 1.00 0.00 H new ATOM 0 HG2 GLU C 40 77.571 7.466 -5.676 1.00 0.00 H new ATOM 0 HG3 GLU C 40 78.285 8.423 -4.393 1.00 0.00 H new ATOM 616 N LEU C 41 82.534 8.324 -4.688 1.00 0.00 N ATOM 617 CA LEU C 41 83.390 7.886 -3.590 1.00 0.00 C ATOM 618 C LEU C 41 84.182 9.059 -3.020 1.00 0.00 C ATOM 619 O LEU C 41 84.491 9.096 -1.829 1.00 0.00 O ATOM 620 CB LEU C 41 84.365 6.810 -4.070 1.00 0.00 C ATOM 621 CG LEU C 41 85.364 6.492 -2.957 1.00 0.00 C ATOM 622 CD1 LEU C 41 84.612 6.000 -1.721 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.329 5.403 -3.434 1.00 0.00 C ATOM 0 H LEU C 41 82.938 8.207 -5.617 1.00 0.00 H new ATOM 0 HA LEU C 41 82.748 7.475 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU C 41 83.819 5.909 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU C 41 84.893 7.154 -4.960 1.00 0.00 H new ATOM 0 HG LEU C 41 85.926 7.392 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.325 5.773 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU C 41 83.925 6.775 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.050 5.100 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.042 5.176 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU C 41 85.767 4.504 -3.686 1.00 0.00 H new ATOM 0 HD23 LEU C 41 86.866 5.754 -4.315 1.00 0.00 H new ATOM 635 N GLY C 42 84.508 10.017 -3.882 1.00 0.00 N ATOM 636 CA GLY C 42 85.268 11.188 -3.452 1.00 0.00 C ATOM 637 C GLY C 42 84.469 12.019 -2.454 1.00 0.00 C ATOM 638 O GLY C 42 85.033 12.706 -1.603 1.00 0.00 O ATOM 0 H GLY C 42 84.262 10.008 -4.872 1.00 0.00 H new ATOM 0 HA2 GLY C 42 86.207 10.871 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY C 42 85.523 11.799 -4.318 1.00 0.00 H new ATOM 642 N LYS C 43 83.146 11.950 -2.571 1.00 0.00 N ATOM 643 CA LYS C 43 82.271 12.703 -1.675 1.00 0.00 C ATOM 644 C LYS C 43 82.454 12.239 -0.232 1.00 0.00 C ATOM 645 O LYS C 43 82.378 13.035 0.705 1.00 0.00 O ATOM 646 CB LYS C 43 80.806 12.519 -2.078 1.00 0.00 C ATOM 647 CG LYS C 43 80.165 13.889 -2.313 1.00 0.00 C ATOM 648 CD LYS C 43 80.036 14.146 -3.817 1.00 0.00 C ATOM 649 CE LYS C 43 79.094 15.328 -4.052 1.00 0.00 C ATOM 650 NZ LYS C 43 77.683 14.850 -4.034 1.00 0.00 N ATOM 0 H LYS C 43 82.659 11.387 -3.269 1.00 0.00 H new ATOM 0 HA LYS C 43 82.539 13.757 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.740 11.915 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS C 43 80.267 11.983 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS C 43 79.183 13.928 -1.842 1.00 0.00 H new ATOM 0 HG3 LYS C 43 80.771 14.669 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS C 43 81.015 14.357 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS C 43 79.653 13.257 -4.317 1.00 0.00 H new ATOM 0 HE2 LYS C 43 79.243 16.084 -3.281 1.00 0.00 H new ATOM 0 HE3 LYS C 43 79.317 15.800 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.042 15.653 -4.194 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.546 14.143 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 77.474 14.419 -3.111 1.00 0.00 H new ATOM 664 N VAL C 44 82.694 10.942 -0.063 1.00 0.00 N ATOM 665 CA VAL C 44 82.886 10.380 1.272 1.00 0.00 C ATOM 666 C VAL C 44 84.281 10.708 1.795 1.00 0.00 C ATOM 667 O VAL C 44 84.436 11.372 2.820 1.00 0.00 O ATOM 668 CB VAL C 44 82.710 8.860 1.244 1.00 0.00 C ATOM 669 CG1 VAL C 44 83.159 8.265 2.581 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.236 8.522 1.008 1.00 0.00 C ATOM 0 H VAL C 44 82.760 10.266 -0.824 1.00 0.00 H new ATOM 0 HA VAL C 44 82.138 10.821 1.931 1.00 0.00 H new ATOM 0 HB VAL C 44 83.315 8.442 0.440 1.00 0.00 H new ATOM 0 HG11 VAL C 44 83.033 7.183 2.558 1.00 0.00 H new ATOM 0 HG12 VAL C 44 84.209 8.504 2.752 1.00 0.00 H new ATOM 0 HG13 VAL C 44 82.556 8.684 3.387 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.110 7.440 0.988 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.633 8.943 1.813 1.00 0.00 H new ATOM 0 HG23 VAL C 44 80.914 8.943 0.055 1.00 0.00 H new ATOM 680 N MET C 45 85.296 10.230 1.080 1.00 0.00 N ATOM 681 CA MET C 45 86.678 10.474 1.484 1.00 0.00 C ATOM 682 C MET C 45 86.853 11.914 1.951 1.00 0.00 C ATOM 683 O MET C 45 87.672 12.205 2.823 1.00 0.00 O ATOM 684 CB MET C 45 87.637 10.209 0.319 1.00 0.00 C ATOM 685 CG MET C 45 87.290 8.877 -0.359 1.00 0.00 C ATOM 686 SD MET C 45 86.985 7.598 0.891 1.00 0.00 S ATOM 687 CE MET C 45 88.596 7.683 1.711 1.00 0.00 C ATOM 0 H MET C 45 85.191 9.678 0.229 1.00 0.00 H new ATOM 0 HA MET C 45 86.909 9.795 2.305 1.00 0.00 H new ATOM 0 HB2 MET C 45 87.575 11.021 -0.405 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.664 10.184 0.682 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.408 8.999 -0.987 1.00 0.00 H new ATOM 0 HG3 MET C 45 88.106 8.570 -1.012 1.00 0.00 H new ATOM 0 HE1 MET C 45 88.723 6.812 2.354 1.00 0.00 H new ATOM 0 HE2 MET C 45 89.386 7.698 0.960 1.00 0.00 H new ATOM 0 HE3 MET C 45 88.650 8.590 2.313 1.00 0.00 H new ATOM 697 N ARG C 46 86.072 12.814 1.360 1.00 0.00 N ATOM 698 CA ARG C 46 86.146 14.227 1.721 1.00 0.00 C ATOM 699 C ARG C 46 85.574 14.453 3.116 1.00 0.00 C ATOM 700 O ARG C 46 86.085 15.263 3.888 1.00 0.00 O ATOM 701 CB ARG C 46 85.363 15.075 0.717 1.00 0.00 C ATOM 702 CG ARG C 46 86.260 15.417 -0.474 1.00 0.00 C ATOM 703 CD ARG C 46 85.682 16.619 -1.223 1.00 0.00 C ATOM 704 NE ARG C 46 85.969 17.859 -0.507 1.00 0.00 N ATOM 705 CZ ARG C 46 85.349 18.993 -0.824 1.00 0.00 C ATOM 706 NH1 ARG C 46 84.467 19.008 -1.786 1.00 0.00 N ATOM 707 NH2 ARG C 46 85.625 20.091 -0.175 1.00 0.00 N ATOM 0 H ARG C 46 85.387 12.594 0.637 1.00 0.00 H new ATOM 0 HA ARG C 46 87.195 14.523 1.708 1.00 0.00 H new ATOM 0 HB2 ARG C 46 84.481 14.532 0.377 1.00 0.00 H new ATOM 0 HB3 ARG C 46 85.011 15.989 1.194 1.00 0.00 H new ATOM 0 HG2 ARG C 46 87.269 15.642 -0.129 1.00 0.00 H new ATOM 0 HG3 ARG C 46 86.335 14.560 -1.144 1.00 0.00 H new ATOM 0 HD2 ARG C 46 86.105 16.666 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG C 46 84.605 16.500 -1.336 1.00 0.00 H new ATOM 0 HE ARG C 46 86.655 17.856 0.248 1.00 0.00 H new ATOM 0 HH11 ARG C 46 84.253 18.150 -2.295 1.00 0.00 H new ATOM 0 HH12 ARG C 46 83.992 19.877 -2.029 1.00 0.00 H new ATOM 0 HH21 ARG C 46 86.316 20.080 0.575 1.00 0.00 H new ATOM 0 HH22 ARG C 46 85.150 20.960 -0.418 1.00 0.00 H new ATOM 721 N MET C 47 84.505 13.728 3.429 1.00 0.00 N ATOM 722 CA MET C 47 83.868 13.858 4.735 1.00 0.00 C ATOM 723 C MET C 47 84.797 13.354 5.836 1.00 0.00 C ATOM 724 O MET C 47 84.600 13.642 7.016 1.00 0.00 O ATOM 725 CB MET C 47 82.566 13.056 4.777 1.00 0.00 C ATOM 726 CG MET C 47 81.737 13.362 3.528 1.00 0.00 C ATOM 727 SD MET C 47 80.046 13.785 4.015 1.00 0.00 S ATOM 728 CE MET C 47 79.802 12.429 5.189 1.00 0.00 C ATOM 0 H MET C 47 84.065 13.052 2.805 1.00 0.00 H new ATOM 0 HA MET C 47 83.651 14.914 4.899 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.785 11.989 4.829 1.00 0.00 H new ATOM 0 HB3 MET C 47 82.000 13.309 5.673 1.00 0.00 H new ATOM 0 HG2 MET C 47 82.185 14.187 2.975 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.730 12.499 2.863 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.757 12.120 5.175 1.00 0.00 H new ATOM 0 HE2 MET C 47 80.434 11.586 4.908 1.00 0.00 H new ATOM 0 HE3 MET C 47 80.068 12.763 6.192 1.00 0.00 H new ATOM 738 N LEU C 48 85.814 12.596 5.433 1.00 0.00 N ATOM 739 CA LEU C 48 86.773 12.051 6.391 1.00 0.00 C ATOM 740 C LEU C 48 87.966 12.987 6.541 1.00 0.00 C ATOM 741 O LEU C 48 88.595 13.052 7.597 1.00 0.00 O ATOM 742 CB LEU C 48 87.272 10.680 5.930 1.00 0.00 C ATOM 743 CG LEU C 48 86.168 9.970 5.146 1.00 0.00 C ATOM 744 CD1 LEU C 48 86.599 8.536 4.839 1.00 0.00 C ATOM 745 CD2 LEU C 48 84.887 9.949 5.982 1.00 0.00 C ATOM 0 H LEU C 48 85.995 12.347 4.460 1.00 0.00 H new ATOM 0 HA LEU C 48 86.267 11.949 7.351 1.00 0.00 H new ATOM 0 HB2 LEU C 48 88.158 10.795 5.306 1.00 0.00 H new ATOM 0 HB3 LEU C 48 87.564 10.079 6.791 1.00 0.00 H new ATOM 0 HG LEU C 48 85.987 10.501 4.211 1.00 0.00 H new ATOM 0 HD11 LEU C 48 85.811 8.031 4.280 1.00 0.00 H new ATOM 0 HD12 LEU C 48 87.513 8.550 4.245 1.00 0.00 H new ATOM 0 HD13 LEU C 48 86.781 8.003 5.772 1.00 0.00 H new ATOM 0 HD21 LEU C 48 84.098 9.443 5.426 1.00 0.00 H new ATOM 0 HD22 LEU C 48 85.071 9.417 6.916 1.00 0.00 H new ATOM 0 HD23 LEU C 48 84.579 10.971 6.201 1.00 0.00 H new ATOM 757 N GLY C 49 88.271 13.712 5.469 1.00 0.00 N ATOM 758 CA GLY C 49 89.394 14.645 5.485 1.00 0.00 C ATOM 759 C GLY C 49 90.224 14.520 4.211 1.00 0.00 C ATOM 760 O GLY C 49 91.104 15.338 3.944 1.00 0.00 O ATOM 0 H GLY C 49 87.762 13.673 4.586 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.023 15.665 5.583 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.022 14.449 6.354 1.00 0.00 H new ATOM 764 N GLN C 50 89.933 13.485 3.426 1.00 0.00 N ATOM 765 CA GLN C 50 90.658 13.260 2.179 1.00 0.00 C ATOM 766 C GLN C 50 89.882 13.849 1.006 1.00 0.00 C ATOM 767 O GLN C 50 88.725 13.500 0.773 1.00 0.00 O ATOM 768 CB GLN C 50 90.863 11.763 1.939 1.00 0.00 C ATOM 769 CG GLN C 50 91.773 11.192 3.027 1.00 0.00 C ATOM 770 CD GLN C 50 92.478 9.946 2.499 1.00 0.00 C ATOM 771 OE1 GLN C 50 92.090 9.396 1.468 1.00 0.00 O ATOM 772 NE2 GLN C 50 93.499 9.463 3.150 1.00 0.00 N ATOM 0 H GLN C 50 89.208 12.796 3.628 1.00 0.00 H new ATOM 0 HA GLN C 50 91.629 13.748 2.259 1.00 0.00 H new ATOM 0 HB2 GLN C 50 89.902 11.248 1.946 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.306 11.599 0.957 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.508 11.938 3.330 1.00 0.00 H new ATOM 0 HG3 GLN C 50 91.188 10.944 3.912 1.00 0.00 H new ATOM 0 HE21 GLN C 50 93.821 9.918 4.004 1.00 0.00 H new ATOM 0 HE22 GLN C 50 93.976 8.630 2.805 1.00 0.00 H new ATOM 781 N ASN C 51 90.530 14.748 0.273 1.00 0.00 N ATOM 782 CA ASN C 51 89.888 15.386 -0.873 1.00 0.00 C ATOM 783 C ASN C 51 90.593 15.003 -2.172 1.00 0.00 C ATOM 784 O ASN C 51 91.379 15.776 -2.719 1.00 0.00 O ATOM 785 CB ASN C 51 89.918 16.908 -0.714 1.00 0.00 C ATOM 786 CG ASN C 51 89.479 17.570 -2.015 1.00 0.00 C ATOM 787 OD1 ASN C 51 90.052 18.577 -2.430 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.487 17.059 -2.690 1.00 0.00 N ATOM 0 H ASN C 51 91.489 15.050 0.448 1.00 0.00 H new ATOM 0 HA ASN C 51 88.855 15.042 -0.915 1.00 0.00 H new ATOM 0 HB2 ASN C 51 89.259 17.211 0.100 1.00 0.00 H new ATOM 0 HB3 ASN C 51 90.923 17.236 -0.449 1.00 0.00 H new ATOM 0 HD21 ASN C 51 88.186 17.494 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN C 51 88.012 16.224 -2.346 1.00 0.00 H new ATOM 795 N PRO C 52 90.309 13.804 -2.676 1.00 0.00 N ATOM 796 CA PRO C 52 90.910 13.307 -3.927 1.00 0.00 C ATOM 797 C PRO C 52 90.206 13.848 -5.170 1.00 0.00 C ATOM 798 O PRO C 52 89.501 14.856 -5.112 1.00 0.00 O ATOM 799 CB PRO C 52 90.711 11.801 -3.802 1.00 0.00 C ATOM 800 CG PRO C 52 89.540 11.583 -2.850 1.00 0.00 C ATOM 801 CD PRO C 52 89.371 12.867 -2.030 1.00 0.00 C ATOM 0 HA PRO C 52 91.948 13.615 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO C 52 90.504 11.357 -4.776 1.00 0.00 H new ATOM 0 HB3 PRO C 52 91.613 11.323 -3.419 1.00 0.00 H new ATOM 0 HG2 PRO C 52 88.629 11.360 -3.406 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.730 10.732 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO C 52 88.346 13.235 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.618 12.710 -0.980 1.00 0.00 H new ATOM 809 N THR C 53 90.407 13.167 -6.293 1.00 0.00 N ATOM 810 CA THR C 53 89.788 13.586 -7.548 1.00 0.00 C ATOM 811 C THR C 53 89.059 12.416 -8.199 1.00 0.00 C ATOM 812 O THR C 53 89.090 11.291 -7.699 1.00 0.00 O ATOM 813 CB THR C 53 90.852 14.112 -8.515 1.00 0.00 C ATOM 814 OG1 THR C 53 92.138 13.943 -7.936 1.00 0.00 O ATOM 815 CG2 THR C 53 90.605 15.596 -8.790 1.00 0.00 C ATOM 0 H THR C 53 90.987 12.331 -6.362 1.00 0.00 H new ATOM 0 HA THR C 53 89.074 14.379 -7.326 1.00 0.00 H new ATOM 0 HB THR C 53 90.799 13.558 -9.452 1.00 0.00 H new ATOM 0 HG1 THR C 53 92.821 14.277 -8.554 1.00 0.00 H new ATOM 0 HG21 THR C 53 91.363 15.970 -9.478 1.00 0.00 H new ATOM 0 HG22 THR C 53 89.617 15.724 -9.233 1.00 0.00 H new ATOM 0 HG23 THR C 53 90.658 16.153 -7.855 1.00 0.00 H new ATOM 823 N PRO C 54 88.397 12.676 -9.324 1.00 0.00 N ATOM 824 CA PRO C 54 87.651 11.640 -10.062 1.00 0.00 C ATOM 825 C PRO C 54 88.566 10.755 -10.903 1.00 0.00 C ATOM 826 O PRO C 54 88.249 9.599 -11.185 1.00 0.00 O ATOM 827 CB PRO C 54 86.728 12.472 -10.944 1.00 0.00 C ATOM 828 CG PRO C 54 87.380 13.840 -11.103 1.00 0.00 C ATOM 829 CD PRO C 54 88.354 14.019 -9.933 1.00 0.00 C ATOM 0 HA PRO C 54 87.130 10.943 -9.406 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.589 11.996 -11.914 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.741 12.565 -10.490 1.00 0.00 H new ATOM 0 HG2 PRO C 54 87.907 13.906 -12.055 1.00 0.00 H new ATOM 0 HG3 PRO C 54 86.627 14.628 -11.100 1.00 0.00 H new ATOM 0 HD2 PRO C 54 89.339 14.339 -10.274 1.00 0.00 H new ATOM 0 HD3 PRO C 54 88.002 14.771 -9.227 1.00 0.00 H new ATOM 837 N GLU C 55 89.710 11.309 -11.291 1.00 0.00 N ATOM 838 CA GLU C 55 90.673 10.559 -12.090 1.00 0.00 C ATOM 839 C GLU C 55 91.513 9.668 -11.183 1.00 0.00 C ATOM 840 O GLU C 55 91.951 8.587 -11.577 1.00 0.00 O ATOM 841 CB GLU C 55 91.597 11.508 -12.856 1.00 0.00 C ATOM 842 CG GLU C 55 90.755 12.534 -13.619 1.00 0.00 C ATOM 843 CD GLU C 55 91.096 12.471 -15.103 1.00 0.00 C ATOM 844 OE1 GLU C 55 92.115 11.887 -15.433 1.00 0.00 O ATOM 845 OE2 GLU C 55 90.333 13.007 -15.890 1.00 0.00 O ATOM 0 H GLU C 55 89.991 12.264 -11.068 1.00 0.00 H new ATOM 0 HA GLU C 55 90.122 9.947 -12.805 1.00 0.00 H new ATOM 0 HB2 GLU C 55 92.269 12.016 -12.164 1.00 0.00 H new ATOM 0 HB3 GLU C 55 92.220 10.944 -13.550 1.00 0.00 H new ATOM 0 HG2 GLU C 55 89.694 12.332 -13.470 1.00 0.00 H new ATOM 0 HG3 GLU C 55 90.946 13.536 -13.234 1.00 0.00 H new ATOM 852 N GLU C 56 91.723 10.135 -9.955 1.00 0.00 N ATOM 853 CA GLU C 56 92.504 9.378 -8.983 1.00 0.00 C ATOM 854 C GLU C 56 91.684 8.208 -8.449 1.00 0.00 C ATOM 855 O GLU C 56 92.136 7.063 -8.445 1.00 0.00 O ATOM 856 CB GLU C 56 92.917 10.273 -7.812 1.00 0.00 C ATOM 857 CG GLU C 56 94.320 10.829 -8.061 1.00 0.00 C ATOM 858 CD GLU C 56 95.279 10.279 -7.011 1.00 0.00 C ATOM 859 OE1 GLU C 56 95.177 10.694 -5.868 1.00 0.00 O ATOM 860 OE2 GLU C 56 96.100 9.449 -7.364 1.00 0.00 O ATOM 0 H GLU C 56 91.366 11.027 -9.612 1.00 0.00 H new ATOM 0 HA GLU C 56 93.398 9.004 -9.482 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.206 11.091 -7.698 1.00 0.00 H new ATOM 0 HB3 GLU C 56 92.900 9.704 -6.883 1.00 0.00 H new ATOM 0 HG2 GLU C 56 94.660 10.553 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.304 11.918 -8.019 1.00 0.00 H new ATOM 867 N LEU C 57 90.467 8.511 -8.003 1.00 0.00 N ATOM 868 CA LEU C 57 89.583 7.478 -7.471 1.00 0.00 C ATOM 869 C LEU C 57 89.310 6.420 -8.534 1.00 0.00 C ATOM 870 O LEU C 57 89.158 5.237 -8.231 1.00 0.00 O ATOM 871 CB LEU C 57 88.256 8.087 -7.017 1.00 0.00 C ATOM 872 CG LEU C 57 88.476 8.889 -5.732 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.300 9.841 -5.515 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.580 7.928 -4.545 1.00 0.00 C ATOM 0 H LEU C 57 90.074 9.452 -7.999 1.00 0.00 H new ATOM 0 HA LEU C 57 90.077 7.017 -6.615 1.00 0.00 H new ATOM 0 HB2 LEU C 57 87.854 8.733 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.522 7.300 -6.846 1.00 0.00 H new ATOM 0 HG LEU C 57 89.397 9.465 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.458 10.411 -4.600 1.00 0.00 H new ATOM 0 HD12 LEU C 57 87.225 10.525 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.378 9.266 -5.430 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.737 8.497 -3.629 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.658 7.352 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.419 7.249 -4.699 1.00 0.00 H new ATOM 886 N GLN C 58 89.256 6.862 -9.788 1.00 0.00 N ATOM 887 CA GLN C 58 89.007 5.948 -10.898 1.00 0.00 C ATOM 888 C GLN C 58 89.944 4.750 -10.811 1.00 0.00 C ATOM 889 O GLN C 58 89.521 3.602 -10.939 1.00 0.00 O ATOM 890 CB GLN C 58 89.224 6.657 -12.236 1.00 0.00 C ATOM 891 CG GLN C 58 88.916 5.691 -13.381 1.00 0.00 C ATOM 892 CD GLN C 58 87.416 5.696 -13.661 1.00 0.00 C ATOM 893 OE1 GLN C 58 86.881 6.670 -14.189 1.00 0.00 O ATOM 894 NE2 GLN C 58 86.700 4.655 -13.336 1.00 0.00 N ATOM 0 H GLN C 58 89.380 7.838 -10.059 1.00 0.00 H new ATOM 0 HA GLN C 58 87.973 5.610 -10.835 1.00 0.00 H new ATOM 0 HB2 GLN C 58 88.581 7.534 -12.303 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.253 7.010 -12.310 1.00 0.00 H new ATOM 0 HG2 GLN C 58 89.465 5.984 -14.276 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.245 4.685 -13.121 1.00 0.00 H new ATOM 0 HE21 GLN C 58 87.144 3.847 -12.898 1.00 0.00 H new ATOM 0 HE22 GLN C 58 85.697 4.649 -13.520 1.00 0.00 H new ATOM 903 N GLU C 59 91.224 5.033 -10.583 1.00 0.00 N ATOM 904 CA GLU C 59 92.218 3.971 -10.470 1.00 0.00 C ATOM 905 C GLU C 59 91.870 3.056 -9.303 1.00 0.00 C ATOM 906 O GLU C 59 92.133 1.854 -9.336 1.00 0.00 O ATOM 907 CB GLU C 59 93.613 4.560 -10.247 1.00 0.00 C ATOM 908 CG GLU C 59 93.865 5.673 -11.267 1.00 0.00 C ATOM 909 CD GLU C 59 95.186 5.418 -11.983 1.00 0.00 C ATOM 910 OE1 GLU C 59 95.448 4.272 -12.312 1.00 0.00 O ATOM 911 OE2 GLU C 59 95.918 6.372 -12.193 1.00 0.00 O ATOM 0 H GLU C 59 91.594 5.977 -10.474 1.00 0.00 H new ATOM 0 HA GLU C 59 92.216 3.401 -11.399 1.00 0.00 H new ATOM 0 HB2 GLU C 59 93.695 4.955 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU C 59 94.369 3.781 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU C 59 93.049 5.710 -11.989 1.00 0.00 H new ATOM 0 HG3 GLU C 59 93.892 6.641 -10.766 1.00 0.00 H new ATOM 918 N MET C 60 91.266 3.641 -8.271 1.00 0.00 N ATOM 919 CA MET C 60 90.872 2.872 -7.094 1.00 0.00 C ATOM 920 C MET C 60 89.707 1.951 -7.439 1.00 0.00 C ATOM 921 O MET C 60 89.504 0.916 -6.803 1.00 0.00 O ATOM 922 CB MET C 60 90.446 3.805 -5.957 1.00 0.00 C ATOM 923 CG MET C 60 91.541 4.843 -5.707 1.00 0.00 C ATOM 924 SD MET C 60 92.411 4.445 -4.170 1.00 0.00 S ATOM 925 CE MET C 60 91.403 5.470 -3.069 1.00 0.00 C ATOM 0 H MET C 60 91.041 4.635 -8.226 1.00 0.00 H new ATOM 0 HA MET C 60 91.730 2.281 -6.772 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.511 4.303 -6.213 1.00 0.00 H new ATOM 0 HB3 MET C 60 90.263 3.229 -5.050 1.00 0.00 H new ATOM 0 HG2 MET C 60 92.242 4.856 -6.541 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.104 5.840 -5.643 1.00 0.00 H new ATOM 0 HE1 MET C 60 91.770 5.375 -2.047 1.00 0.00 H new ATOM 0 HE2 MET C 60 91.467 6.512 -3.382 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.365 5.140 -3.114 1.00 0.00 H new ATOM 935 N ILE C 61 88.946 2.341 -8.458 1.00 0.00 N ATOM 936 CA ILE C 61 87.799 1.548 -8.891 1.00 0.00 C ATOM 937 C ILE C 61 88.264 0.352 -9.717 1.00 0.00 C ATOM 938 O ILE C 61 87.894 -0.790 -9.446 1.00 0.00 O ATOM 939 CB ILE C 61 86.845 2.398 -9.735 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.538 3.714 -9.011 1.00 0.00 C ATOM 941 CG2 ILE C 61 85.541 1.632 -9.963 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.289 3.447 -7.525 1.00 0.00 C ATOM 0 H ILE C 61 89.101 3.194 -8.996 1.00 0.00 H new ATOM 0 HA ILE C 61 87.277 1.196 -8.001 1.00 0.00 H new ATOM 0 HB ILE C 61 87.316 2.615 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE C 61 87.371 4.407 -9.130 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.663 4.188 -9.456 1.00 0.00 H new ATOM 0 HG21 ILE C 61 84.863 2.238 -10.564 1.00 0.00 H new ATOM 0 HG22 ILE C 61 85.753 0.699 -10.486 1.00 0.00 H new ATOM 0 HG23 ILE C 61 85.076 1.412 -9.002 1.00 0.00 H new ATOM 0 HD11 ILE C 61 86.072 4.387 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE C 61 85.442 2.770 -7.414 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.176 2.993 -7.083 1.00 0.00 H new ATOM 954 N ASP C 62 89.081 0.630 -10.728 1.00 0.00 N ATOM 955 CA ASP C 62 89.596 -0.430 -11.592 1.00 0.00 C ATOM 956 C ASP C 62 89.962 -1.660 -10.767 1.00 0.00 C ATOM 957 O ASP C 62 89.754 -2.796 -11.194 1.00 0.00 O ATOM 958 CB ASP C 62 90.837 0.048 -12.347 1.00 0.00 C ATOM 959 CG ASP C 62 90.466 0.361 -13.792 1.00 0.00 C ATOM 960 OD1 ASP C 62 89.864 -0.490 -14.426 1.00 0.00 O ATOM 961 OD2 ASP C 62 90.789 1.447 -14.244 1.00 0.00 O ATOM 0 H ASP C 62 89.399 1.569 -10.969 1.00 0.00 H new ATOM 0 HA ASP C 62 88.814 -0.689 -12.306 1.00 0.00 H new ATOM 0 HB2 ASP C 62 91.249 0.935 -11.866 1.00 0.00 H new ATOM 0 HB3 ASP C 62 91.611 -0.719 -12.317 1.00 0.00 H new ATOM 966 N GLU C 63 90.512 -1.418 -9.581 1.00 0.00 N ATOM 967 CA GLU C 63 90.908 -2.513 -8.698 1.00 0.00 C ATOM 968 C GLU C 63 89.703 -3.380 -8.350 1.00 0.00 C ATOM 969 O GLU C 63 89.747 -4.605 -8.469 1.00 0.00 O ATOM 970 CB GLU C 63 91.518 -1.969 -7.401 1.00 0.00 C ATOM 971 CG GLU C 63 92.349 -0.717 -7.700 1.00 0.00 C ATOM 972 CD GLU C 63 93.223 -0.962 -8.926 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.167 -1.727 -8.814 1.00 0.00 O ATOM 974 OE2 GLU C 63 92.936 -0.381 -9.960 1.00 0.00 O ATOM 0 H GLU C 63 90.693 -0.485 -9.211 1.00 0.00 H new ATOM 0 HA GLU C 63 91.651 -3.113 -9.224 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.728 -1.730 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.145 -2.730 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU C 63 91.692 0.135 -7.874 1.00 0.00 H new ATOM 0 HG3 GLU C 63 92.972 -0.468 -6.841 1.00 0.00 H new ATOM 981 N VAL C 64 88.627 -2.731 -7.916 1.00 0.00 N ATOM 982 CA VAL C 64 87.412 -3.452 -7.547 1.00 0.00 C ATOM 983 C VAL C 64 86.587 -3.786 -8.789 1.00 0.00 C ATOM 984 O VAL C 64 85.895 -4.803 -8.839 1.00 0.00 O ATOM 985 CB VAL C 64 86.567 -2.612 -6.578 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.495 -1.855 -5.628 1.00 0.00 C ATOM 987 CG2 VAL C 64 85.715 -1.601 -7.356 1.00 0.00 C ATOM 0 H VAL C 64 88.570 -1.718 -7.812 1.00 0.00 H new ATOM 0 HA VAL C 64 87.703 -4.381 -7.056 1.00 0.00 H new ATOM 0 HB VAL C 64 85.910 -3.275 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.900 -1.257 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL C 64 88.098 -2.567 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.150 -1.201 -6.204 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.121 -1.012 -6.657 1.00 0.00 H new ATOM 0 HG22 VAL C 64 86.366 -0.939 -7.926 1.00 0.00 H new ATOM 0 HG23 VAL C 64 85.051 -2.133 -8.038 1.00 0.00 H new ATOM 997 N ASP C 65 86.666 -2.911 -9.787 1.00 0.00 N ATOM 998 CA ASP C 65 85.919 -3.113 -11.025 1.00 0.00 C ATOM 999 C ASP C 65 86.632 -4.113 -11.930 1.00 0.00 C ATOM 1000 O ASP C 65 87.379 -3.732 -12.831 1.00 0.00 O ATOM 1001 CB ASP C 65 85.761 -1.791 -11.777 1.00 0.00 C ATOM 1002 CG ASP C 65 84.522 -1.062 -11.269 1.00 0.00 C ATOM 1003 OD1 ASP C 65 84.359 -0.981 -10.063 1.00 0.00 O ATOM 1004 OD2 ASP C 65 83.755 -0.594 -12.095 1.00 0.00 O ATOM 0 H ASP C 65 87.233 -2.064 -9.765 1.00 0.00 H new ATOM 0 HA ASP C 65 84.936 -3.503 -10.759 1.00 0.00 H new ATOM 0 HB2 ASP C 65 86.646 -1.171 -11.633 1.00 0.00 H new ATOM 0 HB3 ASP C 65 85.673 -1.977 -12.847 1.00 0.00 H new ATOM 1009 N GLU C 66 86.386 -5.396 -11.684 1.00 0.00 N ATOM 1010 CA GLU C 66 87.005 -6.445 -12.488 1.00 0.00 C ATOM 1011 C GLU C 66 86.084 -6.835 -13.639 1.00 0.00 C ATOM 1012 O GLU C 66 86.514 -7.429 -14.627 1.00 0.00 O ATOM 1013 CB GLU C 66 87.289 -7.680 -11.632 1.00 0.00 C ATOM 1014 CG GLU C 66 88.651 -7.527 -10.953 1.00 0.00 C ATOM 1015 CD GLU C 66 88.525 -7.875 -9.474 1.00 0.00 C ATOM 1016 OE1 GLU C 66 88.458 -9.054 -9.167 1.00 0.00 O ATOM 1017 OE2 GLU C 66 88.497 -6.958 -8.670 1.00 0.00 O ATOM 0 H GLU C 66 85.770 -5.732 -10.944 1.00 0.00 H new ATOM 0 HA GLU C 66 87.945 -6.061 -12.885 1.00 0.00 H new ATOM 0 HB2 GLU C 66 86.508 -7.803 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU C 66 87.279 -8.576 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU C 66 89.382 -8.180 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU C 66 89.013 -6.505 -11.067 1.00 0.00 H new ATOM 1024 N ASP C 67 84.807 -6.487 -13.497 1.00 0.00 N ATOM 1025 CA ASP C 67 83.822 -6.796 -14.530 1.00 0.00 C ATOM 1026 C ASP C 67 83.838 -5.724 -15.615 1.00 0.00 C ATOM 1027 O ASP C 67 83.526 -5.989 -16.775 1.00 0.00 O ATOM 1028 CB ASP C 67 82.417 -6.875 -13.927 1.00 0.00 C ATOM 1029 CG ASP C 67 82.219 -5.732 -12.938 1.00 0.00 C ATOM 1030 OD1 ASP C 67 82.949 -4.759 -13.032 1.00 0.00 O ATOM 1031 OD2 ASP C 67 81.340 -5.846 -12.099 1.00 0.00 O ATOM 0 H ASP C 67 84.433 -5.996 -12.685 1.00 0.00 H new ATOM 0 HA ASP C 67 84.082 -7.761 -14.966 1.00 0.00 H new ATOM 0 HB2 ASP C 67 81.668 -6.820 -14.717 1.00 0.00 H new ATOM 0 HB3 ASP C 67 82.280 -7.832 -13.424 1.00 0.00 H new ATOM 1036 N GLY C 68 84.209 -4.507 -15.221 1.00 0.00 N ATOM 1037 CA GLY C 68 84.266 -3.394 -16.167 1.00 0.00 C ATOM 1038 C GLY C 68 82.902 -2.726 -16.298 1.00 0.00 C ATOM 1039 O GLY C 68 82.452 -2.410 -17.400 1.00 0.00 O ATOM 0 H GLY C 68 84.472 -4.268 -14.265 1.00 0.00 H new ATOM 0 HA2 GLY C 68 85.003 -2.664 -15.833 1.00 0.00 H new ATOM 0 HA3 GLY C 68 84.594 -3.755 -17.142 1.00 0.00 H new ATOM 1043 N SER C 69 82.246 -2.520 -15.160 1.00 0.00 N ATOM 1044 CA SER C 69 80.927 -1.893 -15.152 1.00 0.00 C ATOM 1045 C SER C 69 81.052 -0.373 -15.138 1.00 0.00 C ATOM 1046 O SER C 69 80.356 0.329 -15.871 1.00 0.00 O ATOM 1047 CB SER C 69 80.136 -2.335 -13.921 1.00 0.00 C ATOM 1048 OG SER C 69 80.999 -3.033 -13.033 1.00 0.00 O ATOM 0 H SER C 69 82.602 -2.775 -14.239 1.00 0.00 H new ATOM 0 HA SER C 69 80.404 -2.204 -16.057 1.00 0.00 H new ATOM 0 HB2 SER C 69 79.705 -1.468 -13.421 1.00 0.00 H new ATOM 0 HB3 SER C 69 79.306 -2.976 -14.219 1.00 0.00 H new ATOM 0 HG SER C 69 81.616 -2.399 -12.610 1.00 0.00 H new ATOM 1054 N GLY C 70 81.942 0.127 -14.288 1.00 0.00 N ATOM 1055 CA GLY C 70 82.150 1.567 -14.174 1.00 0.00 C ATOM 1056 C GLY C 70 82.039 1.999 -12.717 1.00 0.00 C ATOM 1057 O GLY C 70 82.709 2.933 -12.276 1.00 0.00 O ATOM 0 H GLY C 70 82.527 -0.438 -13.672 1.00 0.00 H new ATOM 0 HA2 GLY C 70 83.132 1.833 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY C 70 81.412 2.098 -14.776 1.00 0.00 H new ATOM 1061 N THR C 71 81.186 1.298 -11.976 1.00 0.00 N ATOM 1062 CA THR C 71 80.990 1.601 -10.562 1.00 0.00 C ATOM 1063 C THR C 71 81.451 0.423 -9.708 1.00 0.00 C ATOM 1064 O THR C 71 82.076 -0.512 -10.208 1.00 0.00 O ATOM 1065 CB THR C 71 79.513 1.887 -10.274 1.00 0.00 C ATOM 1066 OG1 THR C 71 78.703 1.069 -11.106 1.00 0.00 O ATOM 1067 CG2 THR C 71 79.213 3.360 -10.554 1.00 0.00 C ATOM 0 H THR C 71 80.624 0.523 -12.327 1.00 0.00 H new ATOM 0 HA THR C 71 81.578 2.485 -10.315 1.00 0.00 H new ATOM 0 HB THR C 71 79.297 1.668 -9.228 1.00 0.00 H new ATOM 0 HG1 THR C 71 77.803 1.453 -11.166 1.00 0.00 H new ATOM 0 HG21 THR C 71 78.162 3.563 -10.349 1.00 0.00 H new ATOM 0 HG22 THR C 71 79.835 3.986 -9.914 1.00 0.00 H new ATOM 0 HG23 THR C 71 79.428 3.583 -11.599 1.00 0.00 H new ATOM 1075 N VAL C 72 81.144 0.476 -8.414 1.00 0.00 N ATOM 1076 CA VAL C 72 81.542 -0.597 -7.508 1.00 0.00 C ATOM 1077 C VAL C 72 80.341 -1.118 -6.726 1.00 0.00 C ATOM 1078 O VAL C 72 80.055 -0.658 -5.621 1.00 0.00 O ATOM 1079 CB VAL C 72 82.599 -0.098 -6.523 1.00 0.00 C ATOM 1080 CG1 VAL C 72 83.185 -1.287 -5.761 1.00 0.00 C ATOM 1081 CG2 VAL C 72 83.714 0.614 -7.291 1.00 0.00 C ATOM 0 H VAL C 72 80.629 1.239 -7.975 1.00 0.00 H new ATOM 0 HA VAL C 72 81.956 -1.405 -8.111 1.00 0.00 H new ATOM 0 HB VAL C 72 82.142 0.596 -5.818 1.00 0.00 H new ATOM 0 HG11 VAL C 72 83.939 -0.933 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL C 72 82.391 -1.796 -5.215 1.00 0.00 H new ATOM 0 HG13 VAL C 72 83.643 -1.981 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL C 72 84.469 0.970 -6.590 1.00 0.00 H new ATOM 0 HG22 VAL C 72 84.172 -0.081 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.297 1.461 -7.836 1.00 0.00 H new ATOM 1091 N ASP C 73 79.643 -2.088 -7.311 1.00 0.00 N ATOM 1092 CA ASP C 73 78.474 -2.672 -6.658 1.00 0.00 C ATOM 1093 C ASP C 73 78.806 -3.047 -5.217 1.00 0.00 C ATOM 1094 O ASP C 73 79.917 -2.815 -4.741 1.00 0.00 O ATOM 1095 CB ASP C 73 78.009 -3.924 -7.406 1.00 0.00 C ATOM 1096 CG ASP C 73 79.214 -4.634 -8.015 1.00 0.00 C ATOM 1097 OD1 ASP C 73 79.843 -4.051 -8.884 1.00 0.00 O ATOM 1098 OD2 ASP C 73 79.489 -5.750 -7.606 1.00 0.00 O ATOM 0 H ASP C 73 79.863 -2.483 -8.225 1.00 0.00 H new ATOM 0 HA ASP C 73 77.676 -1.930 -6.668 1.00 0.00 H new ATOM 0 HB2 ASP C 73 77.486 -4.594 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP C 73 77.302 -3.650 -8.189 1.00 0.00 H new ATOM 1103 N PHE C 74 77.830 -3.628 -4.526 1.00 0.00 N ATOM 1104 CA PHE C 74 78.032 -4.030 -3.135 1.00 0.00 C ATOM 1105 C PHE C 74 78.729 -5.389 -3.061 1.00 0.00 C ATOM 1106 O PHE C 74 78.901 -5.957 -1.983 1.00 0.00 O ATOM 1107 CB PHE C 74 76.688 -4.113 -2.404 1.00 0.00 C ATOM 1108 CG PHE C 74 76.899 -4.708 -1.034 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.885 -4.183 -0.191 1.00 0.00 C ATOM 1110 CD2 PHE C 74 76.116 -5.788 -0.610 1.00 0.00 C ATOM 1111 CE1 PHE C 74 78.088 -4.738 1.078 1.00 0.00 C ATOM 1112 CE2 PHE C 74 76.319 -6.342 0.660 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.306 -5.817 1.503 1.00 0.00 C ATOM 0 H PHE C 74 76.902 -3.830 -4.899 1.00 0.00 H new ATOM 0 HA PHE C 74 78.661 -3.279 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.247 -3.120 -2.317 1.00 0.00 H new ATOM 0 HB3 PHE C 74 75.988 -4.724 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE C 74 78.489 -3.350 -0.519 1.00 0.00 H new ATOM 0 HD2 PHE C 74 75.356 -6.194 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE C 74 78.849 -4.333 1.729 1.00 0.00 H new ATOM 0 HE2 PHE C 74 75.714 -7.174 0.989 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.464 -6.245 2.482 1.00 0.00 H new ATOM 1123 N ASP C 75 79.130 -5.907 -4.219 1.00 0.00 N ATOM 1124 CA ASP C 75 79.803 -7.203 -4.263 1.00 0.00 C ATOM 1125 C ASP C 75 81.316 -7.030 -4.380 1.00 0.00 C ATOM 1126 O ASP C 75 82.085 -7.907 -3.987 1.00 0.00 O ATOM 1127 CB ASP C 75 79.302 -8.025 -5.452 1.00 0.00 C ATOM 1128 CG ASP C 75 78.628 -9.295 -4.944 1.00 0.00 C ATOM 1129 OD1 ASP C 75 78.951 -9.713 -3.844 1.00 0.00 O ATOM 1130 OD2 ASP C 75 77.798 -9.829 -5.660 1.00 0.00 O ATOM 0 H ASP C 75 79.004 -5.458 -5.126 1.00 0.00 H new ATOM 0 HA ASP C 75 79.575 -7.725 -3.334 1.00 0.00 H new ATOM 0 HB2 ASP C 75 78.598 -7.438 -6.043 1.00 0.00 H new ATOM 0 HB3 ASP C 75 80.134 -8.280 -6.108 1.00 0.00 H new ATOM 1135 N GLU C 76 81.737 -5.893 -4.928 1.00 0.00 N ATOM 1136 CA GLU C 76 83.169 -5.625 -5.090 1.00 0.00 C ATOM 1137 C GLU C 76 83.709 -4.832 -3.903 1.00 0.00 C ATOM 1138 O GLU C 76 84.765 -5.149 -3.355 1.00 0.00 O ATOM 1139 CB GLU C 76 83.461 -4.843 -6.382 1.00 0.00 C ATOM 1140 CG GLU C 76 82.164 -4.552 -7.143 1.00 0.00 C ATOM 1141 CD GLU C 76 82.486 -4.267 -8.606 1.00 0.00 C ATOM 1142 OE1 GLU C 76 83.173 -5.074 -9.209 1.00 0.00 O ATOM 1143 OE2 GLU C 76 82.039 -3.246 -9.101 1.00 0.00 O ATOM 0 H GLU C 76 81.122 -5.152 -5.263 1.00 0.00 H new ATOM 0 HA GLU C 76 83.666 -6.594 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU C 76 83.965 -3.907 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU C 76 84.139 -5.416 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU C 76 81.487 -5.403 -7.068 1.00 0.00 H new ATOM 0 HG3 GLU C 76 81.653 -3.698 -6.699 1.00 0.00 H new ATOM 1150 N PHE C 77 82.978 -3.790 -3.518 1.00 0.00 N ATOM 1151 CA PHE C 77 83.397 -2.947 -2.399 1.00 0.00 C ATOM 1152 C PHE C 77 84.027 -3.790 -1.290 1.00 0.00 C ATOM 1153 O PHE C 77 85.248 -3.836 -1.147 1.00 0.00 O ATOM 1154 CB PHE C 77 82.198 -2.178 -1.830 1.00 0.00 C ATOM 1155 CG PHE C 77 82.571 -1.568 -0.497 1.00 0.00 C ATOM 1156 CD1 PHE C 77 83.411 -0.449 -0.448 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.079 -2.127 0.688 1.00 0.00 C ATOM 1158 CE1 PHE C 77 83.759 0.110 0.788 1.00 0.00 C ATOM 1159 CE2 PHE C 77 82.429 -1.569 1.923 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.268 -0.451 1.973 1.00 0.00 C ATOM 0 H PHE C 77 82.101 -3.510 -3.958 1.00 0.00 H new ATOM 0 HA PHE C 77 84.138 -2.240 -2.773 1.00 0.00 H new ATOM 0 HB2 PHE C 77 81.891 -1.397 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE C 77 81.347 -2.849 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE C 77 83.790 -0.017 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE C 77 81.429 -2.989 0.649 1.00 0.00 H new ATOM 0 HE1 PHE C 77 84.406 0.974 0.827 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.051 -2.002 2.838 1.00 0.00 H new ATOM 0 HZ PHE C 77 83.537 -0.020 2.926 1.00 0.00 H new ATOM 1170 N LEU C 78 83.173 -4.440 -0.502 1.00 0.00 N ATOM 1171 CA LEU C 78 83.642 -5.271 0.608 1.00 0.00 C ATOM 1172 C LEU C 78 84.968 -5.948 0.268 1.00 0.00 C ATOM 1173 O LEU C 78 86.019 -5.580 0.792 1.00 0.00 O ATOM 1174 CB LEU C 78 82.606 -6.346 0.947 1.00 0.00 C ATOM 1175 CG LEU C 78 81.346 -5.682 1.510 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.175 -6.662 1.438 1.00 0.00 C ATOM 1177 CD2 LEU C 78 81.585 -5.282 2.968 1.00 0.00 C ATOM 0 H LEU C 78 82.159 -4.409 -0.609 1.00 0.00 H new ATOM 0 HA LEU C 78 83.788 -4.617 1.468 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.359 -6.922 0.055 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.017 -7.046 1.675 1.00 0.00 H new ATOM 0 HG LEU C 78 81.114 -4.794 0.923 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.279 -6.188 1.839 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.002 -6.946 0.400 1.00 0.00 H new ATOM 0 HD13 LEU C 78 80.408 -7.551 2.024 1.00 0.00 H new ATOM 0 HD21 LEU C 78 80.688 -4.810 3.367 1.00 0.00 H new ATOM 0 HD22 LEU C 78 81.820 -6.170 3.555 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.418 -4.581 3.021 1.00 0.00 H new ATOM 1189 N VAL C 79 84.904 -6.946 -0.607 1.00 0.00 N ATOM 1190 CA VAL C 79 86.103 -7.680 -1.006 1.00 0.00 C ATOM 1191 C VAL C 79 87.310 -6.749 -1.101 1.00 0.00 C ATOM 1192 O VAL C 79 88.312 -6.945 -0.414 1.00 0.00 O ATOM 1193 CB VAL C 79 85.892 -8.357 -2.360 1.00 0.00 C ATOM 1194 CG1 VAL C 79 87.169 -9.099 -2.759 1.00 0.00 C ATOM 1195 CG2 VAL C 79 84.735 -9.351 -2.253 1.00 0.00 C ATOM 0 H VAL C 79 84.043 -7.265 -1.051 1.00 0.00 H new ATOM 0 HA VAL C 79 86.293 -8.435 -0.244 1.00 0.00 H new ATOM 0 HB VAL C 79 85.657 -7.606 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.022 -9.583 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL C 79 87.994 -8.391 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL C 79 87.402 -9.853 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL C 79 84.582 -9.836 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL C 79 84.971 -10.104 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL C 79 83.827 -8.822 -1.964 1.00 0.00 H new ATOM 1205 N MET C 80 87.207 -5.740 -1.964 1.00 0.00 N ATOM 1206 CA MET C 80 88.306 -4.791 -2.140 1.00 0.00 C ATOM 1207 C MET C 80 88.975 -4.501 -0.801 1.00 0.00 C ATOM 1208 O MET C 80 90.165 -4.758 -0.617 1.00 0.00 O ATOM 1209 CB MET C 80 87.797 -3.478 -2.737 1.00 0.00 C ATOM 1210 CG MET C 80 88.960 -2.491 -2.849 1.00 0.00 C ATOM 1211 SD MET C 80 89.014 -1.449 -1.372 1.00 0.00 S ATOM 1212 CE MET C 80 87.820 -0.207 -1.928 1.00 0.00 C ATOM 0 H MET C 80 86.388 -5.559 -2.544 1.00 0.00 H new ATOM 0 HA MET C 80 89.029 -5.239 -2.822 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.360 -3.657 -3.720 1.00 0.00 H new ATOM 0 HB3 MET C 80 87.010 -3.061 -2.109 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.900 -3.032 -2.960 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.841 -1.873 -3.739 1.00 0.00 H new ATOM 0 HE1 MET C 80 87.749 0.588 -1.185 1.00 0.00 H new ATOM 0 HE2 MET C 80 88.148 0.213 -2.879 1.00 0.00 H new ATOM 0 HE3 MET C 80 86.843 -0.673 -2.055 1.00 0.00 H new ATOM 1222 N MET C 81 88.193 -3.970 0.133 1.00 0.00 N ATOM 1223 CA MET C 81 88.713 -3.654 1.457 1.00 0.00 C ATOM 1224 C MET C 81 89.496 -4.839 2.012 1.00 0.00 C ATOM 1225 O MET C 81 90.638 -4.701 2.451 1.00 0.00 O ATOM 1226 CB MET C 81 87.562 -3.332 2.411 1.00 0.00 C ATOM 1227 CG MET C 81 87.673 -1.881 2.875 1.00 0.00 C ATOM 1228 SD MET C 81 87.775 -0.790 1.437 1.00 0.00 S ATOM 1229 CE MET C 81 86.202 -1.270 0.680 1.00 0.00 C ATOM 0 H MET C 81 87.206 -3.751 -0.001 1.00 0.00 H new ATOM 0 HA MET C 81 89.371 -2.789 1.370 1.00 0.00 H new ATOM 0 HB2 MET C 81 86.606 -3.493 1.912 1.00 0.00 H new ATOM 0 HB3 MET C 81 87.590 -4.002 3.270 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.809 -1.616 3.484 1.00 0.00 H new ATOM 0 HG3 MET C 81 88.556 -1.756 3.502 1.00 0.00 H new ATOM 0 HE1 MET C 81 85.784 -0.421 0.139 1.00 0.00 H new ATOM 0 HE2 MET C 81 86.368 -2.095 -0.013 1.00 0.00 H new ATOM 0 HE3 MET C 81 85.505 -1.584 1.457 1.00 0.00 H new ATOM 1239 N VAL C 82 88.859 -6.005 1.989 1.00 0.00 N ATOM 1240 CA VAL C 82 89.485 -7.224 2.493 1.00 0.00 C ATOM 1241 C VAL C 82 90.778 -7.529 1.739 1.00 0.00 C ATOM 1242 O VAL C 82 91.641 -8.251 2.234 1.00 0.00 O ATOM 1243 CB VAL C 82 88.531 -8.410 2.336 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.235 -9.699 2.764 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.295 -8.191 3.213 1.00 0.00 C ATOM 0 H VAL C 82 87.913 -6.133 1.628 1.00 0.00 H new ATOM 0 HA VAL C 82 89.715 -7.067 3.547 1.00 0.00 H new ATOM 0 HB VAL C 82 88.229 -8.493 1.292 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.552 -10.541 2.651 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.114 -9.858 2.140 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.541 -9.617 3.807 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.615 -9.036 3.101 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.599 -8.106 4.256 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.789 -7.275 2.907 1.00 0.00 H new ATOM 1255 N ARG C 83 90.895 -6.985 0.531 1.00 0.00 N ATOM 1256 CA ARG C 83 92.084 -7.221 -0.287 1.00 0.00 C ATOM 1257 C ARG C 83 93.191 -6.218 0.033 1.00 0.00 C ATOM 1258 O ARG C 83 94.376 -6.546 -0.022 1.00 0.00 O ATOM 1259 CB ARG C 83 91.737 -7.117 -1.774 1.00 0.00 C ATOM 1260 CG ARG C 83 91.543 -8.519 -2.353 1.00 0.00 C ATOM 1261 CD ARG C 83 90.853 -8.415 -3.714 1.00 0.00 C ATOM 1262 NE ARG C 83 91.715 -8.941 -4.770 1.00 0.00 N ATOM 1263 CZ ARG C 83 91.263 -9.092 -6.012 1.00 0.00 C ATOM 1264 NH1 ARG C 83 90.026 -8.788 -6.297 1.00 0.00 N ATOM 1265 NH2 ARG C 83 92.056 -9.549 -6.942 1.00 0.00 N ATOM 0 H ARG C 83 90.192 -6.385 0.100 1.00 0.00 H new ATOM 0 HA ARG C 83 92.441 -8.225 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG C 83 90.829 -6.529 -1.906 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.533 -6.598 -2.308 1.00 0.00 H new ATOM 0 HG2 ARG C 83 92.507 -9.017 -2.459 1.00 0.00 H new ATOM 0 HG3 ARG C 83 90.943 -9.125 -1.674 1.00 0.00 H new ATOM 0 HD2 ARG C 83 89.914 -8.968 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG C 83 90.606 -7.374 -3.924 1.00 0.00 H new ATOM 0 HE ARG C 83 92.678 -9.196 -4.552 1.00 0.00 H new ATOM 0 HH11 ARG C 83 89.407 -8.435 -5.568 1.00 0.00 H new ATOM 0 HH12 ARG C 83 89.679 -8.904 -7.249 1.00 0.00 H new ATOM 0 HH21 ARG C 83 93.021 -9.790 -6.716 1.00 0.00 H new ATOM 0 HH22 ARG C 83 91.711 -9.665 -7.895 1.00 0.00 H new ATOM 1279 N CYS C 84 92.796 -4.987 0.350 1.00 0.00 N ATOM 1280 CA CYS C 84 93.774 -3.942 0.655 1.00 0.00 C ATOM 1281 C CYS C 84 94.183 -3.971 2.126 1.00 0.00 C ATOM 1282 O CYS C 84 95.354 -3.788 2.458 1.00 0.00 O ATOM 1283 CB CYS C 84 93.204 -2.561 0.327 1.00 0.00 C ATOM 1284 SG CYS C 84 91.812 -2.206 1.428 1.00 0.00 S ATOM 0 H CYS C 84 91.822 -4.690 0.402 1.00 0.00 H new ATOM 0 HA CYS C 84 94.653 -4.135 0.040 1.00 0.00 H new ATOM 0 HB2 CYS C 84 93.976 -1.800 0.443 1.00 0.00 H new ATOM 0 HB3 CYS C 84 92.877 -2.528 -0.712 1.00 0.00 H new ATOM 0 HG CYS C 84 91.205 -3.315 1.731 1.00 0.00 H new ATOM 1290 N MET C 85 93.211 -4.189 3.007 1.00 0.00 N ATOM 1291 CA MET C 85 93.499 -4.223 4.440 1.00 0.00 C ATOM 1292 C MET C 85 94.214 -5.517 4.824 1.00 0.00 C ATOM 1293 O MET C 85 94.560 -5.727 5.987 1.00 0.00 O ATOM 1294 CB MET C 85 92.207 -4.095 5.255 1.00 0.00 C ATOM 1295 CG MET C 85 91.453 -5.427 5.255 1.00 0.00 C ATOM 1296 SD MET C 85 90.015 -5.304 6.347 1.00 0.00 S ATOM 1297 CE MET C 85 89.432 -3.689 5.773 1.00 0.00 C ATOM 0 H MET C 85 92.233 -4.342 2.762 1.00 0.00 H new ATOM 0 HA MET C 85 94.151 -3.379 4.665 1.00 0.00 H new ATOM 0 HB2 MET C 85 92.441 -3.800 6.278 1.00 0.00 H new ATOM 0 HB3 MET C 85 91.577 -3.311 4.833 1.00 0.00 H new ATOM 0 HG2 MET C 85 91.135 -5.677 4.243 1.00 0.00 H new ATOM 0 HG3 MET C 85 92.110 -6.229 5.590 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.393 -3.550 6.071 1.00 0.00 H new ATOM 0 HE2 MET C 85 90.044 -2.903 6.215 1.00 0.00 H new ATOM 0 HE3 MET C 85 89.507 -3.640 4.687 1.00 0.00 H new ATOM 1307 N LYS C 86 94.437 -6.382 3.838 1.00 0.00 N ATOM 1308 CA LYS C 86 95.116 -7.650 4.093 1.00 0.00 C ATOM 1309 C LYS C 86 96.437 -7.708 3.335 1.00 0.00 C ATOM 1310 O LYS C 86 97.373 -8.397 3.740 1.00 0.00 O ATOM 1311 CB LYS C 86 94.244 -8.826 3.653 1.00 0.00 C ATOM 1312 CG LYS C 86 93.369 -9.281 4.823 1.00 0.00 C ATOM 1313 CD LYS C 86 93.126 -10.789 4.724 1.00 0.00 C ATOM 1314 CE LYS C 86 92.468 -11.115 3.381 1.00 0.00 C ATOM 1315 NZ LYS C 86 93.483 -11.698 2.457 1.00 0.00 N ATOM 0 H LYS C 86 94.162 -6.232 2.867 1.00 0.00 H new ATOM 0 HA LYS C 86 95.304 -7.718 5.165 1.00 0.00 H new ATOM 0 HB2 LYS C 86 93.618 -8.533 2.810 1.00 0.00 H new ATOM 0 HB3 LYS C 86 94.871 -9.650 3.313 1.00 0.00 H new ATOM 0 HG2 LYS C 86 93.855 -9.042 5.769 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.419 -8.747 4.809 1.00 0.00 H new ATOM 0 HD2 LYS C 86 94.069 -11.327 4.818 1.00 0.00 H new ATOM 0 HD3 LYS C 86 92.487 -11.119 5.543 1.00 0.00 H new ATOM 0 HE2 LYS C 86 91.648 -11.818 3.527 1.00 0.00 H new ATOM 0 HE3 LYS C 86 92.040 -10.212 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 93.033 -12.419 1.858 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 93.878 -10.946 1.857 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 94.246 -12.136 3.011 1.00 0.00 H new ATOM 1392 N ILE I 148 92.230 0.810 5.244 1.00 0.00 N ATOM 1393 CA ILE I 148 90.966 1.274 5.813 1.00 0.00 C ATOM 1394 C ILE I 148 90.645 0.500 7.090 1.00 0.00 C ATOM 1395 O ILE I 148 90.341 -0.692 7.053 1.00 0.00 O ATOM 1396 CB ILE I 148 89.825 1.094 4.799 1.00 0.00 C ATOM 1397 CG1 ILE I 148 89.881 2.224 3.769 1.00 0.00 C ATOM 1398 CG2 ILE I 148 88.469 1.133 5.511 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.733 1.789 2.577 1.00 0.00 C ATOM 0 HA ILE I 148 91.065 2.333 6.052 1.00 0.00 H new ATOM 0 HB ILE I 148 89.941 0.129 4.305 1.00 0.00 H new ATOM 0 HG12 ILE I 148 88.874 2.477 3.436 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.302 3.122 4.222 1.00 0.00 H new ATOM 0 HG21 ILE I 148 87.671 1.004 4.780 1.00 0.00 H new ATOM 0 HG22 ILE I 148 88.421 0.330 6.246 1.00 0.00 H new ATOM 0 HG23 ILE I 148 88.349 2.093 6.014 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.772 2.595 1.844 1.00 0.00 H new ATOM 0 HD12 ILE I 148 91.743 1.558 2.916 1.00 0.00 H new ATOM 0 HD13 ILE I 148 90.293 0.903 2.119 1.00 0.00 H new ATOM 1411 N SER I 149 90.711 1.198 8.221 1.00 0.00 N ATOM 1412 CA SER I 149 90.420 0.573 9.508 1.00 0.00 C ATOM 1413 C SER I 149 88.936 0.706 9.842 1.00 0.00 C ATOM 1414 O SER I 149 88.449 0.114 10.805 1.00 0.00 O ATOM 1415 CB SER I 149 91.242 1.227 10.619 1.00 0.00 C ATOM 1416 OG SER I 149 92.313 0.365 10.981 1.00 0.00 O ATOM 0 H SER I 149 90.961 2.186 8.273 1.00 0.00 H new ATOM 0 HA SER I 149 90.683 -0.482 9.436 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.631 2.188 10.282 1.00 0.00 H new ATOM 0 HB3 SER I 149 90.611 1.425 11.485 1.00 0.00 H new ATOM 0 HG SER I 149 92.843 0.782 11.692 1.00 0.00 H new ATOM 1422 N ALA I 150 88.225 1.492 9.034 1.00 0.00 N ATOM 1423 CA ALA I 150 86.794 1.703 9.244 1.00 0.00 C ATOM 1424 C ALA I 150 86.556 2.835 10.240 1.00 0.00 C ATOM 1425 O ALA I 150 85.421 3.257 10.460 1.00 0.00 O ATOM 1426 CB ALA I 150 86.130 0.428 9.768 1.00 0.00 C ATOM 0 H ALA I 150 88.614 1.990 8.233 1.00 0.00 H new ATOM 0 HA ALA I 150 86.355 1.970 8.283 1.00 0.00 H new ATOM 0 HB1 ALA I 150 85.065 0.607 9.917 1.00 0.00 H new ATOM 0 HB2 ALA I 150 86.265 -0.376 9.045 1.00 0.00 H new ATOM 0 HB3 ALA I 150 86.586 0.143 10.716 1.00 0.00 H new ATOM 1432 N ASP I 151 87.640 3.322 10.841 1.00 0.00 N ATOM 1433 CA ASP I 151 87.536 4.406 11.813 1.00 0.00 C ATOM 1434 C ASP I 151 87.530 5.760 11.107 1.00 0.00 C ATOM 1435 O ASP I 151 86.751 6.650 11.448 1.00 0.00 O ATOM 1436 CB ASP I 151 88.710 4.359 12.792 1.00 0.00 C ATOM 1437 CG ASP I 151 88.733 3.005 13.494 1.00 0.00 C ATOM 1438 OD1 ASP I 151 87.713 2.631 14.048 1.00 0.00 O ATOM 1439 OD2 ASP I 151 89.769 2.363 13.466 1.00 0.00 O ATOM 0 H ASP I 151 88.589 2.988 10.674 1.00 0.00 H new ATOM 0 HA ASP I 151 86.601 4.279 12.359 1.00 0.00 H new ATOM 0 HB2 ASP I 151 89.648 4.521 12.260 1.00 0.00 H new ATOM 0 HB3 ASP I 151 88.618 5.160 13.526 1.00 0.00 H new ATOM 1444 N ALA I 152 88.408 5.904 10.118 1.00 0.00 N ATOM 1445 CA ALA I 152 88.498 7.155 9.367 1.00 0.00 C ATOM 1446 C ALA I 152 87.168 7.467 8.688 1.00 0.00 C ATOM 1447 O ALA I 152 86.785 8.628 8.543 1.00 0.00 O ATOM 1448 CB ALA I 152 89.589 7.062 8.299 1.00 0.00 C ATOM 0 H ALA I 152 89.061 5.179 9.819 1.00 0.00 H new ATOM 0 HA ALA I 152 88.744 7.951 10.070 1.00 0.00 H new ATOM 0 HB1 ALA I 152 89.642 8.002 7.750 1.00 0.00 H new ATOM 0 HB2 ALA I 152 90.549 6.866 8.776 1.00 0.00 H new ATOM 0 HB3 ALA I 152 89.355 6.251 7.609 1.00 0.00 H new ATOM 1454 N MET I 153 86.472 6.415 8.269 1.00 0.00 N ATOM 1455 CA MET I 153 85.185 6.582 7.600 1.00 0.00 C ATOM 1456 C MET I 153 84.058 6.698 8.621 1.00 0.00 C ATOM 1457 O MET I 153 82.969 7.175 8.311 1.00 0.00 O ATOM 1458 CB MET I 153 84.902 5.392 6.680 1.00 0.00 C ATOM 1459 CG MET I 153 85.185 4.088 7.429 1.00 0.00 C ATOM 1460 SD MET I 153 84.523 2.694 6.484 1.00 0.00 S ATOM 1461 CE MET I 153 85.209 3.163 4.876 1.00 0.00 C ATOM 0 H MET I 153 86.773 5.447 8.379 1.00 0.00 H new ATOM 0 HA MET I 153 85.233 7.497 7.009 1.00 0.00 H new ATOM 0 HB2 MET I 153 83.864 5.415 6.348 1.00 0.00 H new ATOM 0 HB3 MET I 153 85.524 5.453 5.787 1.00 0.00 H new ATOM 0 HG2 MET I 153 86.258 3.965 7.575 1.00 0.00 H new ATOM 0 HG3 MET I 153 84.730 4.119 8.419 1.00 0.00 H new ATOM 0 HE1 MET I 153 85.284 2.280 4.241 1.00 0.00 H new ATOM 0 HE2 MET I 153 84.557 3.896 4.402 1.00 0.00 H new ATOM 0 HE3 MET I 153 86.200 3.595 5.015 1.00 0.00 H new ATOM 1471 N MET I 154 84.331 6.253 9.843 1.00 0.00 N ATOM 1472 CA MET I 154 83.328 6.309 10.905 1.00 0.00 C ATOM 1473 C MET I 154 82.826 7.738 11.102 1.00 0.00 C ATOM 1474 O MET I 154 81.784 7.964 11.716 1.00 0.00 O ATOM 1475 CB MET I 154 83.914 5.800 12.223 1.00 0.00 C ATOM 1476 CG MET I 154 83.320 4.429 12.550 1.00 0.00 C ATOM 1477 SD MET I 154 81.968 4.624 13.738 1.00 0.00 S ATOM 1478 CE MET I 154 81.001 3.187 13.213 1.00 0.00 C ATOM 0 H MET I 154 85.227 5.854 10.123 1.00 0.00 H new ATOM 0 HA MET I 154 82.494 5.673 10.608 1.00 0.00 H new ATOM 0 HB2 MET I 154 84.999 5.729 12.148 1.00 0.00 H new ATOM 0 HB3 MET I 154 83.696 6.504 13.026 1.00 0.00 H new ATOM 0 HG2 MET I 154 82.953 3.954 11.640 1.00 0.00 H new ATOM 0 HG3 MET I 154 84.090 3.777 12.963 1.00 0.00 H new ATOM 0 HE1 MET I 154 80.101 3.111 13.824 1.00 0.00 H new ATOM 0 HE2 MET I 154 80.720 3.300 12.166 1.00 0.00 H new ATOM 0 HE3 MET I 154 81.598 2.283 13.333 1.00 0.00 H new ATOM 1488 N GLN I 155 83.582 8.700 10.577 1.00 0.00 N ATOM 1489 CA GLN I 155 83.208 10.108 10.705 1.00 0.00 C ATOM 1490 C GLN I 155 82.175 10.495 9.648 1.00 0.00 C ATOM 1491 O GLN I 155 81.369 11.403 9.853 1.00 0.00 O ATOM 1492 CB GLN I 155 84.438 11.004 10.543 1.00 0.00 C ATOM 1493 CG GLN I 155 85.093 11.229 11.907 1.00 0.00 C ATOM 1494 CD GLN I 155 86.296 10.304 12.051 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.944 9.958 11.063 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.639 9.878 13.236 1.00 0.00 N ATOM 0 H GLN I 155 84.448 8.534 10.064 1.00 0.00 H new ATOM 0 HA GLN I 155 82.778 10.247 11.697 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.149 10.542 9.859 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.149 11.959 10.105 1.00 0.00 H new ATOM 0 HG2 GLN I 155 85.406 12.268 12.005 1.00 0.00 H new ATOM 0 HG3 GLN I 155 84.375 11.036 12.704 1.00 0.00 H new ATOM 0 HE21 GLN I 155 86.103 10.164 14.056 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.443 9.259 13.343 1.00 0.00 H new ATOM 1505 N ALA I 156 82.214 9.803 8.513 1.00 0.00 N ATOM 1506 CA ALA I 156 81.280 10.089 7.425 1.00 0.00 C ATOM 1507 C ALA I 156 79.875 9.604 7.768 1.00 0.00 C ATOM 1508 O ALA I 156 78.921 9.862 7.034 1.00 0.00 O ATOM 1509 CB ALA I 156 81.737 9.406 6.135 1.00 0.00 C ATOM 0 H ALA I 156 82.873 9.049 8.322 1.00 0.00 H new ATOM 0 HA ALA I 156 81.261 11.170 7.284 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.031 9.629 5.335 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.725 9.773 5.859 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.781 8.328 6.290 1.00 0.00 H new ATOM 1515 N LEU I 157 79.754 8.895 8.888 1.00 0.00 N ATOM 1516 CA LEU I 157 78.453 8.380 9.307 1.00 0.00 C ATOM 1517 C LEU I 157 78.381 8.271 10.826 1.00 0.00 C ATOM 1518 O LEU I 157 77.749 7.364 11.367 1.00 0.00 O ATOM 1519 CB LEU I 157 78.168 6.999 8.691 1.00 0.00 C ATOM 1520 CG LEU I 157 79.470 6.222 8.441 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.256 6.872 7.302 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.325 6.206 9.711 1.00 0.00 C ATOM 0 H LEU I 157 80.527 8.667 9.513 1.00 0.00 H new ATOM 0 HA LEU I 157 77.700 9.085 8.954 1.00 0.00 H new ATOM 0 HB2 LEU I 157 77.522 6.427 9.357 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.628 7.121 7.752 1.00 0.00 H new ATOM 0 HG LEU I 157 79.219 5.198 8.166 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.177 6.315 7.131 1.00 0.00 H new ATOM 0 HD12 LEU I 157 79.654 6.864 6.394 1.00 0.00 H new ATOM 0 HD13 LEU I 157 80.498 7.901 7.568 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.245 5.653 9.523 1.00 0.00 H new ATOM 0 HD22 LEU I 157 80.569 7.229 9.999 1.00 0.00 H new ATOM 0 HD23 LEU I 157 79.771 5.725 10.517 1.00 0.00 H new