USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 MET CE :methyl -156:sc= -2.14! (180deg=-4.18!) USER MOD Set 1.2: B 153 MET CE :methyl 180:sc= -0.0273 (180deg=0) USER MOD Set 2.1: A 69 SER OG : rot -85:sc= 0.261 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 37 SER OG : rot 180:sc= -0.0403 USER MOD Set 3.2: A 38 THR OG1 : rot -135:sc= 0.779 USER MOD Set 3.3: A 58 GLN : amide:sc= -0.472 K(o=0.27,f=-5.3!) USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.0332 USER MOD Set 4.2: A 16 GLN : amide:sc= 0.435 K(o=0.47,f=-4.8!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -133:sc= 0.771 (180deg=0.0422) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0.916 (180deg=0.681) USER MOD Single : A 18 ASN : amide:sc= 0.747 K(o=0.75,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= -0.623 (180deg=-0.793) USER MOD Single : A 35 CYS SG : rot -79:sc= -0.208 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.09 (180deg=1.09) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 60 MET CE :methyl -132:sc= -2.72! (180deg=-4.95!) USER MOD Single : A 80 MET CE :methyl 179:sc= 0 (180deg=-0.00299) USER MOD Single : A 81 MET CE :methyl -150:sc= -0.712 (180deg=-3.01!) USER MOD Single : A 84 CYS SG : rot 170:sc= 0 USER MOD Single : A 85 MET CE :methyl -168:sc= -0.862 (180deg=-1.09) USER MOD Single : B 149 SER OG : rot 180:sc= -0.027 USER MOD Single : B 154 MET CE :methyl 148:sc= -0.386 (180deg=-1.68!) USER MOD Single : B 155 GLN : amide:sc= 0.36 K(o=0.36,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 71.621 9.793 10.826 1.00 0.00 N ATOM 45 CA ILE A 4 70.340 10.531 11.085 1.00 0.00 C ATOM 46 C ILE A 4 69.136 9.695 10.629 1.00 0.00 C ATOM 47 O ILE A 4 68.213 9.461 11.387 1.00 0.00 O ATOM 48 CB ILE A 4 70.440 11.824 10.264 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.595 12.682 10.792 1.00 0.00 C ATOM 50 CG2 ILE A 4 69.131 12.612 10.377 1.00 0.00 C ATOM 51 CD1 ILE A 4 72.217 13.469 9.637 1.00 0.00 C ATOM 0 HA ILE A 4 70.198 10.736 12.146 1.00 0.00 H new ATOM 0 HB ILE A 4 70.622 11.570 9.220 1.00 0.00 H new ATOM 0 HG12 ILE A 4 71.232 13.367 11.559 1.00 0.00 H new ATOM 0 HG13 ILE A 4 72.348 12.048 11.261 1.00 0.00 H new ATOM 0 HG21 ILE A 4 69.207 13.529 9.793 1.00 0.00 H new ATOM 0 HG22 ILE A 4 68.308 12.007 9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 4 68.946 12.862 11.422 1.00 0.00 H new ATOM 0 HD11 ILE A 4 73.038 14.079 10.013 1.00 0.00 H new ATOM 0 HD12 ILE A 4 72.595 12.775 8.886 1.00 0.00 H new ATOM 0 HD13 ILE A 4 71.462 14.114 9.188 1.00 0.00 H new ATOM 63 N TYR A 5 69.138 9.246 9.399 1.00 0.00 N ATOM 64 CA TYR A 5 67.990 8.425 8.898 1.00 0.00 C ATOM 65 C TYR A 5 67.992 7.035 9.550 1.00 0.00 C ATOM 66 O TYR A 5 66.947 6.474 9.819 1.00 0.00 O ATOM 67 CB TYR A 5 68.196 8.317 7.383 1.00 0.00 C ATOM 68 CG TYR A 5 67.439 9.432 6.695 1.00 0.00 C ATOM 69 CD1 TYR A 5 66.039 9.422 6.683 1.00 0.00 C ATOM 70 CD2 TYR A 5 68.135 10.477 6.073 1.00 0.00 C ATOM 71 CE1 TYR A 5 65.336 10.454 6.052 1.00 0.00 C ATOM 72 CE2 TYR A 5 67.429 11.510 5.441 1.00 0.00 C ATOM 73 CZ TYR A 5 66.030 11.497 5.430 1.00 0.00 C ATOM 74 OH TYR A 5 65.331 12.515 4.811 1.00 0.00 O ATOM 0 H TYR A 5 69.882 9.411 8.721 1.00 0.00 H new ATOM 0 HA TYR A 5 67.030 8.880 9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 5 69.257 8.381 7.143 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.846 7.349 7.025 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.501 8.617 7.161 1.00 0.00 H new ATOM 0 HD2 TYR A 5 69.215 10.487 6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 5 64.256 10.445 6.045 1.00 0.00 H new ATOM 0 HE2 TYR A 5 67.965 12.316 4.962 1.00 0.00 H new ATOM 0 HH TYR A 5 65.962 13.160 4.429 1.00 0.00 H new ATOM 84 N LYS A 6 69.153 6.478 9.815 1.00 0.00 N ATOM 85 CA LYS A 6 69.203 5.126 10.459 1.00 0.00 C ATOM 86 C LYS A 6 68.696 5.200 11.907 1.00 0.00 C ATOM 87 O LYS A 6 68.129 4.251 12.413 1.00 0.00 O ATOM 88 CB LYS A 6 70.672 4.691 10.414 1.00 0.00 C ATOM 89 CG LYS A 6 70.759 3.266 9.850 1.00 0.00 C ATOM 90 CD LYS A 6 71.307 2.310 10.916 1.00 0.00 C ATOM 91 CE LYS A 6 72.739 2.712 11.289 1.00 0.00 C ATOM 92 NZ LYS A 6 72.731 2.884 12.775 1.00 0.00 N ATOM 0 H LYS A 6 70.061 6.898 9.615 1.00 0.00 H new ATOM 0 HA LYS A 6 68.565 4.411 9.940 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.248 5.377 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 6 71.105 4.726 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 6 69.773 2.934 9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 6 71.405 3.253 8.972 1.00 0.00 H new ATOM 0 HD2 LYS A 6 70.671 2.334 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.293 1.287 10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 6 73.453 1.946 10.986 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.031 3.635 10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 73.205 3.776 13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 71.749 2.907 13.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 73.234 2.089 13.219 1.00 0.00 H new ATOM 106 N ALA A 7 68.878 6.321 12.573 1.00 0.00 N ATOM 107 CA ALA A 7 68.383 6.447 13.983 1.00 0.00 C ATOM 108 C ALA A 7 66.880 6.124 14.038 1.00 0.00 C ATOM 109 O ALA A 7 66.401 5.518 14.978 1.00 0.00 O ATOM 110 CB ALA A 7 68.639 7.905 14.373 1.00 0.00 C ATOM 0 H ALA A 7 69.345 7.148 12.202 1.00 0.00 H new ATOM 0 HA ALA A 7 68.885 5.758 14.663 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.301 8.073 15.396 1.00 0.00 H new ATOM 0 HB2 ALA A 7 69.706 8.118 14.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.093 8.564 13.698 1.00 0.00 H new ATOM 116 N ALA A 8 66.144 6.508 13.020 1.00 0.00 N ATOM 117 CA ALA A 8 64.679 6.208 12.984 1.00 0.00 C ATOM 118 C ALA A 8 64.461 4.688 12.900 1.00 0.00 C ATOM 119 O ALA A 8 63.535 4.154 13.481 1.00 0.00 O ATOM 120 CB ALA A 8 64.164 6.901 11.719 1.00 0.00 C ATOM 0 H ALA A 8 66.498 7.018 12.211 1.00 0.00 H new ATOM 0 HA ALA A 8 64.157 6.557 13.875 1.00 0.00 H new ATOM 0 HB1 ALA A 8 63.092 6.728 11.620 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.354 7.972 11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 8 64.679 6.497 10.847 1.00 0.00 H new ATOM 126 N VAL A 9 65.327 3.988 12.199 1.00 0.00 N ATOM 127 CA VAL A 9 65.196 2.496 12.092 1.00 0.00 C ATOM 128 C VAL A 9 65.342 1.866 13.487 1.00 0.00 C ATOM 129 O VAL A 9 64.723 0.864 13.792 1.00 0.00 O ATOM 130 CB VAL A 9 66.344 2.039 11.173 1.00 0.00 C ATOM 131 CG1 VAL A 9 66.234 0.531 10.921 1.00 0.00 C ATOM 132 CG2 VAL A 9 66.275 2.777 9.829 1.00 0.00 C ATOM 0 H VAL A 9 66.120 4.387 11.696 1.00 0.00 H new ATOM 0 HA VAL A 9 64.227 2.196 11.693 1.00 0.00 H new ATOM 0 HB VAL A 9 67.292 2.266 11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 9 67.048 0.211 10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 9 66.297 -0.002 11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 9 65.279 0.311 10.443 1.00 0.00 H new ATOM 0 HG21 VAL A 9 67.092 2.445 9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 9 65.323 2.561 9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 9 66.361 3.850 9.998 1.00 0.00 H new ATOM 142 N GLU A 10 66.148 2.457 14.337 1.00 0.00 N ATOM 143 CA GLU A 10 66.329 1.911 15.720 1.00 0.00 C ATOM 144 C GLU A 10 65.282 2.503 16.681 1.00 0.00 C ATOM 145 O GLU A 10 65.196 2.109 17.829 1.00 0.00 O ATOM 146 CB GLU A 10 67.736 2.345 16.137 1.00 0.00 C ATOM 147 CG GLU A 10 68.780 1.560 15.335 1.00 0.00 C ATOM 148 CD GLU A 10 70.032 2.419 15.143 1.00 0.00 C ATOM 149 OE1 GLU A 10 70.826 2.489 16.065 1.00 0.00 O ATOM 150 OE2 GLU A 10 70.180 2.988 14.074 1.00 0.00 O ATOM 0 H GLU A 10 66.690 3.296 14.132 1.00 0.00 H new ATOM 0 HA GLU A 10 66.205 0.828 15.748 1.00 0.00 H new ATOM 0 HB2 GLU A 10 67.862 3.414 15.967 1.00 0.00 H new ATOM 0 HB3 GLU A 10 67.879 2.173 17.204 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.036 0.638 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 10 68.370 1.275 14.366 1.00 0.00 H new ATOM 157 N GLN A 11 64.489 3.447 16.226 1.00 0.00 N ATOM 158 CA GLN A 11 63.455 4.063 17.115 1.00 0.00 C ATOM 159 C GLN A 11 62.141 3.266 17.069 1.00 0.00 C ATOM 160 O GLN A 11 61.399 3.241 18.033 1.00 0.00 O ATOM 161 CB GLN A 11 63.244 5.478 16.564 1.00 0.00 C ATOM 162 CG GLN A 11 63.898 6.498 17.501 1.00 0.00 C ATOM 163 CD GLN A 11 63.072 7.787 17.510 1.00 0.00 C ATOM 164 OE1 GLN A 11 62.182 7.946 18.320 1.00 0.00 O ATOM 165 NE2 GLN A 11 63.328 8.720 16.636 1.00 0.00 N ATOM 0 H GLN A 11 64.515 3.816 15.276 1.00 0.00 H new ATOM 0 HA GLN A 11 63.774 4.070 18.157 1.00 0.00 H new ATOM 0 HB2 GLN A 11 63.674 5.558 15.566 1.00 0.00 H new ATOM 0 HB3 GLN A 11 62.178 5.687 16.470 1.00 0.00 H new ATOM 0 HG2 GLN A 11 63.966 6.090 18.509 1.00 0.00 H new ATOM 0 HG3 GLN A 11 64.916 6.708 17.173 1.00 0.00 H new ATOM 0 HE21 GLN A 11 64.075 8.589 15.954 1.00 0.00 H new ATOM 0 HE22 GLN A 11 62.781 9.581 16.634 1.00 0.00 H new ATOM 174 N LEU A 12 61.840 2.621 15.963 1.00 0.00 N ATOM 175 CA LEU A 12 60.563 1.838 15.879 1.00 0.00 C ATOM 176 C LEU A 12 60.601 0.630 16.831 1.00 0.00 C ATOM 177 O LEU A 12 61.656 0.120 17.164 1.00 0.00 O ATOM 178 CB LEU A 12 60.432 1.396 14.409 1.00 0.00 C ATOM 179 CG LEU A 12 61.554 0.422 14.024 1.00 0.00 C ATOM 180 CD1 LEU A 12 61.077 -1.018 14.225 1.00 0.00 C ATOM 181 CD2 LEU A 12 61.917 0.628 12.550 1.00 0.00 C ATOM 0 H LEU A 12 62.418 2.603 15.123 1.00 0.00 H new ATOM 0 HA LEU A 12 59.704 2.436 16.183 1.00 0.00 H new ATOM 0 HB2 LEU A 12 59.464 0.920 14.254 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.466 2.270 13.759 1.00 0.00 H new ATOM 0 HG LEU A 12 62.426 0.608 14.651 1.00 0.00 H new ATOM 0 HD11 LEU A 12 61.876 -1.707 13.951 1.00 0.00 H new ATOM 0 HD12 LEU A 12 60.809 -1.170 15.271 1.00 0.00 H new ATOM 0 HD13 LEU A 12 60.206 -1.204 13.597 1.00 0.00 H new ATOM 0 HD21 LEU A 12 62.714 -0.062 12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 12 61.041 0.440 11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 12 62.255 1.653 12.398 1.00 0.00 H new ATOM 193 N THR A 13 59.454 0.183 17.281 1.00 0.00 N ATOM 194 CA THR A 13 59.409 -0.980 18.229 1.00 0.00 C ATOM 195 C THR A 13 59.076 -2.281 17.499 1.00 0.00 C ATOM 196 O THR A 13 58.930 -2.315 16.291 1.00 0.00 O ATOM 197 CB THR A 13 58.305 -0.643 19.241 1.00 0.00 C ATOM 198 OG1 THR A 13 57.131 -0.238 18.549 1.00 0.00 O ATOM 199 CG2 THR A 13 58.769 0.486 20.162 1.00 0.00 C ATOM 0 H THR A 13 58.544 0.572 17.034 1.00 0.00 H new ATOM 0 HA THR A 13 60.376 -1.133 18.709 1.00 0.00 H new ATOM 0 HB THR A 13 58.088 -1.528 19.840 1.00 0.00 H new ATOM 0 HG1 THR A 13 56.427 -0.025 19.196 1.00 0.00 H new ATOM 0 HG21 THR A 13 57.980 0.719 20.877 1.00 0.00 H new ATOM 0 HG22 THR A 13 59.665 0.173 20.699 1.00 0.00 H new ATOM 0 HG23 THR A 13 58.993 1.372 19.567 1.00 0.00 H new ATOM 207 N GLU A 14 58.962 -3.355 18.241 1.00 0.00 N ATOM 208 CA GLU A 14 58.646 -4.678 17.627 1.00 0.00 C ATOM 209 C GLU A 14 57.374 -4.588 16.766 1.00 0.00 C ATOM 210 O GLU A 14 57.296 -5.171 15.703 1.00 0.00 O ATOM 211 CB GLU A 14 58.440 -5.624 18.820 1.00 0.00 C ATOM 212 CG GLU A 14 57.799 -6.938 18.352 1.00 0.00 C ATOM 213 CD GLU A 14 58.779 -7.714 17.466 1.00 0.00 C ATOM 214 OE1 GLU A 14 59.882 -7.978 17.917 1.00 0.00 O ATOM 215 OE2 GLU A 14 58.410 -8.034 16.350 1.00 0.00 O ATOM 0 H GLU A 14 59.076 -3.370 19.255 1.00 0.00 H new ATOM 0 HA GLU A 14 59.437 -5.026 16.963 1.00 0.00 H new ATOM 0 HB2 GLU A 14 59.397 -5.829 19.300 1.00 0.00 H new ATOM 0 HB3 GLU A 14 57.805 -5.147 19.566 1.00 0.00 H new ATOM 0 HG2 GLU A 14 57.519 -7.543 19.215 1.00 0.00 H new ATOM 0 HG3 GLU A 14 56.884 -6.729 17.799 1.00 0.00 H new ATOM 222 N GLU A 15 56.387 -3.856 17.218 1.00 0.00 N ATOM 223 CA GLU A 15 55.117 -3.716 16.432 1.00 0.00 C ATOM 224 C GLU A 15 55.410 -3.226 15.005 1.00 0.00 C ATOM 225 O GLU A 15 54.766 -3.636 14.059 1.00 0.00 O ATOM 226 CB GLU A 15 54.285 -2.674 17.191 1.00 0.00 C ATOM 227 CG GLU A 15 53.900 -3.221 18.572 1.00 0.00 C ATOM 228 CD GLU A 15 54.703 -2.498 19.658 1.00 0.00 C ATOM 229 OE1 GLU A 15 55.842 -2.880 19.880 1.00 0.00 O ATOM 230 OE2 GLU A 15 54.169 -1.572 20.243 1.00 0.00 O ATOM 0 H GLU A 15 56.404 -3.346 18.101 1.00 0.00 H new ATOM 0 HA GLU A 15 54.596 -4.669 16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 15 54.854 -1.751 17.301 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.387 -2.429 16.624 1.00 0.00 H new ATOM 0 HG2 GLU A 15 52.832 -3.083 18.743 1.00 0.00 H new ATOM 0 HG3 GLU A 15 54.094 -4.293 18.616 1.00 0.00 H new ATOM 237 N GLN A 16 56.374 -2.350 14.845 1.00 0.00 N ATOM 238 CA GLN A 16 56.704 -1.829 13.481 1.00 0.00 C ATOM 239 C GLN A 16 57.401 -2.897 12.636 1.00 0.00 C ATOM 240 O GLN A 16 56.893 -3.330 11.620 1.00 0.00 O ATOM 241 CB GLN A 16 57.638 -0.639 13.722 1.00 0.00 C ATOM 242 CG GLN A 16 56.819 0.653 13.808 1.00 0.00 C ATOM 243 CD GLN A 16 56.582 1.009 15.278 1.00 0.00 C ATOM 244 OE1 GLN A 16 57.389 1.678 15.890 1.00 0.00 O ATOM 245 NE2 GLN A 16 55.502 0.586 15.874 1.00 0.00 N ATOM 0 H GLN A 16 56.946 -1.974 15.601 1.00 0.00 H new ATOM 0 HA GLN A 16 55.806 -1.543 12.933 1.00 0.00 H new ATOM 0 HB2 GLN A 16 58.200 -0.787 14.644 1.00 0.00 H new ATOM 0 HB3 GLN A 16 58.366 -0.566 12.914 1.00 0.00 H new ATOM 0 HG2 GLN A 16 57.346 1.465 13.306 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.866 0.527 13.295 1.00 0.00 H new ATOM 0 HE21 GLN A 16 54.823 0.024 15.361 1.00 0.00 H new ATOM 0 HE22 GLN A 16 55.336 0.817 16.853 1.00 0.00 H new ATOM 254 N LYS A 17 58.562 -3.308 13.051 1.00 0.00 N ATOM 255 CA LYS A 17 59.330 -4.346 12.282 1.00 0.00 C ATOM 256 C LYS A 17 58.489 -5.612 12.058 1.00 0.00 C ATOM 257 O LYS A 17 58.628 -6.280 11.051 1.00 0.00 O ATOM 258 CB LYS A 17 60.579 -4.673 13.118 1.00 0.00 C ATOM 259 CG LYS A 17 60.211 -4.898 14.591 1.00 0.00 C ATOM 260 CD LYS A 17 61.124 -5.973 15.196 1.00 0.00 C ATOM 261 CE LYS A 17 60.810 -7.334 14.559 1.00 0.00 C ATOM 262 NZ LYS A 17 61.378 -8.346 15.497 1.00 0.00 N ATOM 0 H LYS A 17 59.024 -2.972 13.896 1.00 0.00 H new ATOM 0 HA LYS A 17 59.598 -3.970 11.294 1.00 0.00 H new ATOM 0 HB2 LYS A 17 61.064 -5.564 12.720 1.00 0.00 H new ATOM 0 HB3 LYS A 17 61.298 -3.857 13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.313 -3.966 15.147 1.00 0.00 H new ATOM 0 HG3 LYS A 17 59.168 -5.205 14.672 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.169 -5.714 15.027 1.00 0.00 H new ATOM 0 HD3 LYS A 17 60.978 -6.023 16.275 1.00 0.00 H new ATOM 0 HE2 LYS A 17 59.736 -7.472 14.434 1.00 0.00 H new ATOM 0 HE3 LYS A 17 61.259 -7.419 13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 61.099 -9.300 15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.415 -8.273 15.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.016 -8.172 16.456 1.00 0.00 H new ATOM 276 N ASN A 18 57.623 -5.947 12.982 1.00 0.00 N ATOM 277 CA ASN A 18 56.779 -7.169 12.815 1.00 0.00 C ATOM 278 C ASN A 18 55.745 -6.954 11.702 1.00 0.00 C ATOM 279 O ASN A 18 55.611 -7.771 10.810 1.00 0.00 O ATOM 280 CB ASN A 18 56.100 -7.364 14.168 1.00 0.00 C ATOM 281 CG ASN A 18 55.664 -8.822 14.322 1.00 0.00 C ATOM 282 OD1 ASN A 18 54.656 -9.228 13.782 1.00 0.00 O ATOM 283 ND2 ASN A 18 56.387 -9.634 15.041 1.00 0.00 N ATOM 0 H ASN A 18 57.464 -5.427 13.845 1.00 0.00 H new ATOM 0 HA ASN A 18 57.363 -8.044 12.528 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.785 -7.093 14.972 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.235 -6.705 14.250 1.00 0.00 H new ATOM 0 HD21 ASN A 18 56.105 -10.608 15.149 1.00 0.00 H new ATOM 0 HD22 ASN A 18 57.235 -9.295 15.496 1.00 0.00 H new ATOM 290 N GLU A 19 55.024 -5.856 11.736 1.00 0.00 N ATOM 291 CA GLU A 19 54.015 -5.594 10.661 1.00 0.00 C ATOM 292 C GLU A 19 54.728 -5.462 9.309 1.00 0.00 C ATOM 293 O GLU A 19 54.297 -6.014 8.315 1.00 0.00 O ATOM 294 CB GLU A 19 53.323 -4.277 11.041 1.00 0.00 C ATOM 295 CG GLU A 19 51.816 -4.399 10.782 1.00 0.00 C ATOM 296 CD GLU A 19 51.567 -4.821 9.329 1.00 0.00 C ATOM 297 OE1 GLU A 19 51.596 -3.958 8.467 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.354 -6.001 9.105 1.00 0.00 O ATOM 0 H GLU A 19 55.090 -5.136 12.456 1.00 0.00 H new ATOM 0 HA GLU A 19 53.291 -6.404 10.572 1.00 0.00 H new ATOM 0 HB2 GLU A 19 53.505 -4.048 12.091 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.738 -3.454 10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.380 -5.131 11.462 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.326 -3.446 10.982 1.00 0.00 H new ATOM 305 N PHE A 20 55.832 -4.752 9.274 1.00 0.00 N ATOM 306 CA PHE A 20 56.591 -4.602 7.992 1.00 0.00 C ATOM 307 C PHE A 20 57.018 -5.983 7.477 1.00 0.00 C ATOM 308 O PHE A 20 57.054 -6.221 6.286 1.00 0.00 O ATOM 309 CB PHE A 20 57.815 -3.742 8.333 1.00 0.00 C ATOM 310 CG PHE A 20 57.393 -2.304 8.576 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.312 -1.747 7.873 1.00 0.00 C ATOM 312 CD2 PHE A 20 58.088 -1.527 9.510 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.932 -0.421 8.108 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.707 -0.200 9.743 1.00 0.00 C ATOM 315 CZ PHE A 20 56.629 0.351 9.043 1.00 0.00 C ATOM 0 H PHE A 20 56.239 -4.271 10.076 1.00 0.00 H new ATOM 0 HA PHE A 20 55.991 -4.139 7.209 1.00 0.00 H new ATOM 0 HB2 PHE A 20 58.311 -4.138 9.219 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.537 -3.784 7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 20 55.774 -2.343 7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.920 -1.952 10.052 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.100 0.006 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 20 58.246 0.398 10.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.334 1.374 9.225 1.00 0.00 H new ATOM 325 N LYS A 21 57.316 -6.899 8.370 1.00 0.00 N ATOM 326 CA LYS A 21 57.710 -8.275 7.936 1.00 0.00 C ATOM 327 C LYS A 21 56.509 -8.955 7.254 1.00 0.00 C ATOM 328 O LYS A 21 56.652 -9.604 6.233 1.00 0.00 O ATOM 329 CB LYS A 21 58.141 -8.997 9.234 1.00 0.00 C ATOM 330 CG LYS A 21 57.342 -10.291 9.454 1.00 0.00 C ATOM 331 CD LYS A 21 57.821 -11.372 8.478 1.00 0.00 C ATOM 332 CE LYS A 21 56.693 -12.381 8.239 1.00 0.00 C ATOM 333 NZ LYS A 21 56.488 -12.394 6.761 1.00 0.00 N ATOM 0 H LYS A 21 57.303 -6.751 9.379 1.00 0.00 H new ATOM 0 HA LYS A 21 58.521 -8.287 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 21 59.205 -9.229 9.186 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.999 -8.332 10.086 1.00 0.00 H new ATOM 0 HG2 LYS A 21 57.466 -10.635 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.279 -10.102 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 21 58.122 -10.917 7.534 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.697 -11.879 8.882 1.00 0.00 H new ATOM 0 HE2 LYS A 21 56.964 -13.370 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 21 55.783 -12.085 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 55.582 -12.855 6.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 56.476 -11.417 6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 57.263 -12.919 6.308 1.00 0.00 H new ATOM 347 N ALA A 22 55.326 -8.795 7.800 1.00 0.00 N ATOM 348 CA ALA A 22 54.117 -9.415 7.175 1.00 0.00 C ATOM 349 C ALA A 22 53.797 -8.701 5.854 1.00 0.00 C ATOM 350 O ALA A 22 53.541 -9.331 4.846 1.00 0.00 O ATOM 351 CB ALA A 22 52.988 -9.212 8.192 1.00 0.00 C ATOM 0 H ALA A 22 55.147 -8.262 8.651 1.00 0.00 H new ATOM 0 HA ALA A 22 54.259 -10.471 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 22 52.066 -9.642 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 22 53.250 -9.703 9.129 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.845 -8.146 8.369 1.00 0.00 H new ATOM 357 N ALA A 23 53.827 -7.390 5.857 1.00 0.00 N ATOM 358 CA ALA A 23 53.540 -6.618 4.607 1.00 0.00 C ATOM 359 C ALA A 23 54.596 -6.922 3.534 1.00 0.00 C ATOM 360 O ALA A 23 54.267 -7.232 2.406 1.00 0.00 O ATOM 361 CB ALA A 23 53.605 -5.146 5.027 1.00 0.00 C ATOM 0 H ALA A 23 54.039 -6.819 6.675 1.00 0.00 H new ATOM 0 HA ALA A 23 52.573 -6.877 4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.405 -4.512 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.859 -4.954 5.798 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.597 -4.923 5.419 1.00 0.00 H new ATOM 367 N PHE A 24 55.861 -6.841 3.883 1.00 0.00 N ATOM 368 CA PHE A 24 56.948 -7.130 2.890 1.00 0.00 C ATOM 369 C PHE A 24 56.767 -8.532 2.288 1.00 0.00 C ATOM 370 O PHE A 24 56.900 -8.725 1.094 1.00 0.00 O ATOM 371 CB PHE A 24 58.253 -7.053 3.694 1.00 0.00 C ATOM 372 CG PHE A 24 59.436 -7.067 2.752 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.872 -8.274 2.192 1.00 0.00 C ATOM 374 CD2 PHE A 24 60.094 -5.873 2.439 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.966 -8.286 1.318 1.00 0.00 C ATOM 376 CE2 PHE A 24 61.187 -5.885 1.566 1.00 0.00 C ATOM 377 CZ PHE A 24 61.624 -7.092 1.005 1.00 0.00 C ATOM 0 H PHE A 24 56.188 -6.587 4.815 1.00 0.00 H new ATOM 0 HA PHE A 24 56.940 -6.427 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.267 -6.145 4.296 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.316 -7.894 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.364 -9.196 2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.758 -4.942 2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.302 -9.217 0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.694 -4.963 1.324 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.468 -7.101 0.331 1.00 0.00 H new ATOM 387 N ASP A 25 56.459 -9.504 3.111 1.00 0.00 N ATOM 388 CA ASP A 25 56.261 -10.898 2.606 1.00 0.00 C ATOM 389 C ASP A 25 55.073 -10.951 1.632 1.00 0.00 C ATOM 390 O ASP A 25 55.194 -11.437 0.524 1.00 0.00 O ATOM 391 CB ASP A 25 55.983 -11.726 3.865 1.00 0.00 C ATOM 392 CG ASP A 25 55.722 -13.185 3.492 1.00 0.00 C ATOM 393 OD1 ASP A 25 56.685 -13.922 3.366 1.00 0.00 O ATOM 394 OD2 ASP A 25 54.565 -13.540 3.349 1.00 0.00 O ATOM 0 H ASP A 25 56.336 -9.391 4.117 1.00 0.00 H new ATOM 0 HA ASP A 25 57.123 -11.273 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 25 56.833 -11.664 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 25 55.121 -11.319 4.394 1.00 0.00 H new ATOM 399 N ILE A 26 53.932 -10.446 2.034 1.00 0.00 N ATOM 400 CA ILE A 26 52.738 -10.458 1.129 1.00 0.00 C ATOM 401 C ILE A 26 52.992 -9.579 -0.111 1.00 0.00 C ATOM 402 O ILE A 26 52.445 -9.824 -1.170 1.00 0.00 O ATOM 403 CB ILE A 26 51.584 -9.903 1.981 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.005 -11.031 2.843 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.476 -9.344 1.082 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.919 -10.573 4.301 1.00 0.00 C ATOM 0 H ILE A 26 53.775 -10.026 2.950 1.00 0.00 H new ATOM 0 HA ILE A 26 52.513 -11.456 0.753 1.00 0.00 H new ATOM 0 HB ILE A 26 51.967 -9.102 2.614 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.015 -11.308 2.480 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.633 -11.919 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.667 -8.955 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.879 -8.541 0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.093 -10.138 0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.507 -11.377 4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.915 -10.318 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 26 50.273 -9.698 4.370 1.00 0.00 H new ATOM 418 N PHE A 27 53.819 -8.566 0.009 1.00 0.00 N ATOM 419 CA PHE A 27 54.108 -7.683 -1.166 1.00 0.00 C ATOM 420 C PHE A 27 54.807 -8.478 -2.277 1.00 0.00 C ATOM 421 O PHE A 27 54.489 -8.338 -3.442 1.00 0.00 O ATOM 422 CB PHE A 27 55.041 -6.587 -0.633 1.00 0.00 C ATOM 423 CG PHE A 27 54.663 -5.251 -1.235 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.357 -5.149 -2.599 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.617 -4.113 -0.423 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.008 -3.910 -3.148 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.269 -2.875 -0.973 1.00 0.00 C ATOM 428 CZ PHE A 27 53.963 -2.773 -2.335 1.00 0.00 C ATOM 0 H PHE A 27 54.305 -8.313 0.869 1.00 0.00 H new ATOM 0 HA PHE A 27 53.194 -7.270 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.975 -6.538 0.454 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.076 -6.827 -0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 27 54.391 -6.027 -3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.850 -4.190 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.773 -3.832 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.236 -1.996 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.692 -1.817 -2.758 1.00 0.00 H new ATOM 438 N VAL A 28 55.757 -9.311 -1.925 1.00 0.00 N ATOM 439 CA VAL A 28 56.474 -10.113 -2.969 1.00 0.00 C ATOM 440 C VAL A 28 55.783 -11.468 -3.185 1.00 0.00 C ATOM 441 O VAL A 28 55.737 -11.968 -4.292 1.00 0.00 O ATOM 442 CB VAL A 28 57.911 -10.310 -2.452 1.00 0.00 C ATOM 443 CG1 VAL A 28 58.551 -8.953 -2.161 1.00 0.00 C ATOM 444 CG2 VAL A 28 57.916 -11.150 -1.169 1.00 0.00 C ATOM 0 H VAL A 28 56.066 -9.470 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 28 56.468 -9.601 -3.931 1.00 0.00 H new ATOM 0 HB VAL A 28 58.480 -10.831 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.567 -9.101 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 28 58.577 -8.359 -3.075 1.00 0.00 H new ATOM 0 HG13 VAL A 28 57.966 -8.430 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 28 58.941 -11.277 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.332 -10.644 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.478 -12.127 -1.372 1.00 0.00 H new ATOM 454 N LEU A 29 55.253 -12.062 -2.135 1.00 0.00 N ATOM 455 CA LEU A 29 54.566 -13.391 -2.252 1.00 0.00 C ATOM 456 C LEU A 29 55.521 -14.446 -2.848 1.00 0.00 C ATOM 457 O LEU A 29 56.204 -15.142 -2.122 1.00 0.00 O ATOM 458 CB LEU A 29 53.345 -13.146 -3.153 1.00 0.00 C ATOM 459 CG LEU A 29 52.068 -13.448 -2.368 1.00 0.00 C ATOM 460 CD1 LEU A 29 50.967 -12.470 -2.781 1.00 0.00 C ATOM 461 CD2 LEU A 29 51.610 -14.880 -2.661 1.00 0.00 C ATOM 0 H LEU A 29 55.269 -11.675 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 29 54.260 -13.783 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.336 -12.113 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.399 -13.779 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 29 52.269 -13.341 -1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.058 -12.687 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 29 51.288 -11.450 -2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.769 -12.575 -3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 29 50.700 -15.093 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.413 -14.988 -3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 29 52.391 -15.580 -2.364 1.00 0.00 H new ATOM 473 N GLY A 30 55.586 -14.563 -4.155 1.00 0.00 N ATOM 474 CA GLY A 30 56.506 -15.562 -4.782 1.00 0.00 C ATOM 475 C GLY A 30 57.883 -14.928 -5.034 1.00 0.00 C ATOM 476 O GLY A 30 58.859 -15.623 -5.240 1.00 0.00 O ATOM 0 H GLY A 30 55.040 -14.008 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 30 56.611 -16.430 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 30 56.083 -15.917 -5.722 1.00 0.00 H new ATOM 480 N ALA A 31 57.975 -13.617 -5.015 1.00 0.00 N ATOM 481 CA ALA A 31 59.295 -12.947 -5.249 1.00 0.00 C ATOM 482 C ALA A 31 60.013 -12.699 -3.911 1.00 0.00 C ATOM 483 O ALA A 31 60.524 -11.623 -3.660 1.00 0.00 O ATOM 484 CB ALA A 31 58.948 -11.621 -5.938 1.00 0.00 C ATOM 0 H ALA A 31 57.193 -12.984 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 31 59.967 -13.555 -5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.864 -11.068 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.427 -11.823 -6.874 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.306 -11.029 -5.286 1.00 0.00 H new ATOM 524 N CYS A 35 62.798 -9.892 -3.529 1.00 0.00 N ATOM 525 CA CYS A 35 62.340 -8.778 -2.632 1.00 0.00 C ATOM 526 C CYS A 35 61.431 -7.794 -3.391 1.00 0.00 C ATOM 527 O CYS A 35 61.017 -8.050 -4.507 1.00 0.00 O ATOM 528 CB CYS A 35 63.622 -8.091 -2.141 1.00 0.00 C ATOM 529 SG CYS A 35 64.296 -9.010 -0.735 1.00 0.00 S ATOM 0 HA CYS A 35 61.745 -9.151 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.355 -8.047 -2.946 1.00 0.00 H new ATOM 0 HB3 CYS A 35 63.408 -7.063 -1.849 1.00 0.00 H new ATOM 0 HG CYS A 35 63.629 -8.709 0.340 1.00 0.00 H new ATOM 535 N ILE A 36 61.103 -6.678 -2.784 1.00 0.00 N ATOM 536 CA ILE A 36 60.206 -5.683 -3.457 1.00 0.00 C ATOM 537 C ILE A 36 60.985 -4.839 -4.477 1.00 0.00 C ATOM 538 O ILE A 36 61.953 -4.178 -4.147 1.00 0.00 O ATOM 539 CB ILE A 36 59.661 -4.799 -2.326 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.638 -5.593 -1.506 1.00 0.00 C ATOM 541 CG2 ILE A 36 58.981 -3.554 -2.914 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.351 -4.860 -0.191 1.00 0.00 C ATOM 0 H ILE A 36 61.418 -6.412 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 36 59.407 -6.174 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 36 60.487 -4.489 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 36 57.716 -5.714 -2.075 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.019 -6.593 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 36 58.597 -2.933 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 36 59.705 -2.985 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.157 -3.860 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.623 -5.427 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.274 -4.762 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.951 -3.869 -0.407 1.00 0.00 H new ATOM 554 N SER A 37 60.548 -4.847 -5.709 1.00 0.00 N ATOM 555 CA SER A 37 61.227 -4.038 -6.766 1.00 0.00 C ATOM 556 C SER A 37 60.204 -3.117 -7.447 1.00 0.00 C ATOM 557 O SER A 37 59.038 -3.108 -7.096 1.00 0.00 O ATOM 558 CB SER A 37 61.781 -5.063 -7.758 1.00 0.00 C ATOM 559 OG SER A 37 62.628 -4.403 -8.693 1.00 0.00 O ATOM 0 H SER A 37 59.743 -5.384 -6.031 1.00 0.00 H new ATOM 0 HA SER A 37 62.016 -3.402 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.338 -5.835 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.963 -5.561 -8.279 1.00 0.00 H new ATOM 0 HG SER A 37 62.986 -5.057 -9.329 1.00 0.00 H new ATOM 565 N THR A 38 60.628 -2.350 -8.420 1.00 0.00 N ATOM 566 CA THR A 38 59.678 -1.431 -9.132 1.00 0.00 C ATOM 567 C THR A 38 58.566 -2.233 -9.822 1.00 0.00 C ATOM 568 O THR A 38 57.427 -1.807 -9.872 1.00 0.00 O ATOM 569 CB THR A 38 60.526 -0.687 -10.171 1.00 0.00 C ATOM 570 OG1 THR A 38 61.458 -1.585 -10.766 1.00 0.00 O ATOM 571 CG2 THR A 38 61.271 0.458 -9.484 1.00 0.00 C ATOM 0 H THR A 38 61.591 -2.318 -8.755 1.00 0.00 H new ATOM 0 HA THR A 38 59.190 -0.744 -8.441 1.00 0.00 H new ATOM 0 HB THR A 38 59.879 -0.284 -10.950 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.337 -1.155 -10.820 1.00 0.00 H new ATOM 0 HG21 THR A 38 61.876 0.991 -10.218 1.00 0.00 H new ATOM 0 HG22 THR A 38 60.551 1.145 -9.039 1.00 0.00 H new ATOM 0 HG23 THR A 38 61.918 0.055 -8.704 1.00 0.00 H new ATOM 579 N LYS A 39 58.889 -3.389 -10.348 1.00 0.00 N ATOM 580 CA LYS A 39 57.854 -4.227 -11.034 1.00 0.00 C ATOM 581 C LYS A 39 56.831 -4.768 -10.022 1.00 0.00 C ATOM 582 O LYS A 39 55.664 -4.918 -10.333 1.00 0.00 O ATOM 583 CB LYS A 39 58.636 -5.380 -11.671 1.00 0.00 C ATOM 584 CG LYS A 39 57.844 -5.951 -12.851 1.00 0.00 C ATOM 585 CD LYS A 39 57.989 -5.024 -14.063 1.00 0.00 C ATOM 586 CE LYS A 39 58.351 -5.845 -15.305 1.00 0.00 C ATOM 587 NZ LYS A 39 58.045 -4.954 -16.464 1.00 0.00 N ATOM 0 H LYS A 39 59.827 -3.790 -10.332 1.00 0.00 H new ATOM 0 HA LYS A 39 57.291 -3.654 -11.770 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.610 -5.028 -12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.819 -6.160 -10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.208 -6.949 -13.098 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.793 -6.053 -12.582 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.058 -4.483 -14.232 1.00 0.00 H new ATOM 0 HD3 LYS A 39 58.760 -4.278 -13.871 1.00 0.00 H new ATOM 0 HE2 LYS A 39 59.403 -6.132 -15.295 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.770 -6.766 -15.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 58.268 -5.449 -17.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 57.036 -4.703 -16.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 58.618 -4.088 -16.397 1.00 0.00 H new ATOM 601 N GLU A 40 57.260 -5.069 -8.819 1.00 0.00 N ATOM 602 CA GLU A 40 56.310 -5.608 -7.793 1.00 0.00 C ATOM 603 C GLU A 40 55.554 -4.469 -7.086 1.00 0.00 C ATOM 604 O GLU A 40 54.470 -4.670 -6.571 1.00 0.00 O ATOM 605 CB GLU A 40 57.178 -6.386 -6.795 1.00 0.00 C ATOM 606 CG GLU A 40 57.973 -7.486 -7.521 1.00 0.00 C ATOM 607 CD GLU A 40 57.068 -8.232 -8.510 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.188 -8.946 -8.060 1.00 0.00 O ATOM 609 OE2 GLU A 40 57.270 -8.071 -9.702 1.00 0.00 O ATOM 0 H GLU A 40 58.224 -4.965 -8.504 1.00 0.00 H new ATOM 0 HA GLU A 40 55.551 -6.243 -8.249 1.00 0.00 H new ATOM 0 HB2 GLU A 40 57.864 -5.705 -6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.548 -6.831 -6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 40 58.817 -7.045 -8.051 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.385 -8.187 -6.794 1.00 0.00 H new ATOM 616 N LEU A 41 56.107 -3.279 -7.061 1.00 0.00 N ATOM 617 CA LEU A 41 55.405 -2.135 -6.394 1.00 0.00 C ATOM 618 C LEU A 41 54.180 -1.727 -7.221 1.00 0.00 C ATOM 619 O LEU A 41 53.055 -1.846 -6.778 1.00 0.00 O ATOM 620 CB LEU A 41 56.440 -1.003 -6.360 1.00 0.00 C ATOM 621 CG LEU A 41 55.885 0.209 -5.600 1.00 0.00 C ATOM 622 CD1 LEU A 41 54.850 0.942 -6.453 1.00 0.00 C ATOM 623 CD2 LEU A 41 55.229 -0.242 -4.290 1.00 0.00 C ATOM 0 H LEU A 41 57.012 -3.051 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 41 55.048 -2.385 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.355 -1.353 -5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.704 -0.713 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 41 56.713 0.882 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 41 54.465 1.799 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.317 1.285 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.029 0.265 -6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 41 54.839 0.627 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 41 54.412 -0.929 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 41 55.969 -0.745 -3.667 1.00 0.00 H new ATOM 635 N GLY A 42 54.405 -1.244 -8.420 1.00 0.00 N ATOM 636 CA GLY A 42 53.273 -0.819 -9.310 1.00 0.00 C ATOM 637 C GLY A 42 52.178 -1.899 -9.347 1.00 0.00 C ATOM 638 O GLY A 42 51.009 -1.591 -9.480 1.00 0.00 O ATOM 0 H GLY A 42 55.333 -1.124 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.853 0.120 -8.950 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.645 -0.636 -10.318 1.00 0.00 H new ATOM 642 N LYS A 43 52.550 -3.156 -9.224 1.00 0.00 N ATOM 643 CA LYS A 43 51.535 -4.264 -9.242 1.00 0.00 C ATOM 644 C LYS A 43 50.374 -3.962 -8.275 1.00 0.00 C ATOM 645 O LYS A 43 49.217 -4.063 -8.637 1.00 0.00 O ATOM 646 CB LYS A 43 52.299 -5.509 -8.773 1.00 0.00 C ATOM 647 CG LYS A 43 52.598 -6.421 -9.965 1.00 0.00 C ATOM 648 CD LYS A 43 53.434 -7.614 -9.489 1.00 0.00 C ATOM 649 CE LYS A 43 53.671 -8.580 -10.654 1.00 0.00 C ATOM 650 NZ LYS A 43 54.933 -8.113 -11.297 1.00 0.00 N ATOM 0 H LYS A 43 53.516 -3.462 -9.112 1.00 0.00 H new ATOM 0 HA LYS A 43 51.095 -4.391 -10.231 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.230 -5.213 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 43 51.711 -6.048 -8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 43 51.668 -6.769 -10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 43 53.136 -5.868 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 43 54.388 -7.266 -9.093 1.00 0.00 H new ATOM 0 HD3 LYS A 43 52.921 -8.129 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.765 -9.607 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.839 -8.560 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 55.159 -8.728 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 54.812 -7.135 -11.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 55.709 -8.150 -10.606 1.00 0.00 H new ATOM 664 N VAL A 44 50.677 -3.595 -7.050 1.00 0.00 N ATOM 665 CA VAL A 44 49.590 -3.289 -6.058 1.00 0.00 C ATOM 666 C VAL A 44 49.054 -1.857 -6.243 1.00 0.00 C ATOM 667 O VAL A 44 47.944 -1.555 -5.843 1.00 0.00 O ATOM 668 CB VAL A 44 50.223 -3.452 -4.664 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.725 -4.887 -4.484 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.396 -2.481 -4.492 1.00 0.00 C ATOM 0 H VAL A 44 51.627 -3.494 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 44 48.741 -3.959 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 44 49.464 -3.232 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.172 -4.995 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 44 49.889 -5.580 -4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 44 51.472 -5.109 -5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 44 51.832 -2.609 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 44 52.152 -2.685 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.040 -1.457 -4.602 1.00 0.00 H new ATOM 680 N MET A 45 49.822 -0.976 -6.848 1.00 0.00 N ATOM 681 CA MET A 45 49.338 0.430 -7.057 1.00 0.00 C ATOM 682 C MET A 45 48.050 0.430 -7.890 1.00 0.00 C ATOM 683 O MET A 45 47.141 1.198 -7.638 1.00 0.00 O ATOM 684 CB MET A 45 50.461 1.146 -7.815 1.00 0.00 C ATOM 685 CG MET A 45 51.620 1.447 -6.862 1.00 0.00 C ATOM 686 SD MET A 45 51.128 2.742 -5.698 1.00 0.00 S ATOM 687 CE MET A 45 52.570 2.620 -4.612 1.00 0.00 C ATOM 0 H MET A 45 50.758 -1.169 -7.204 1.00 0.00 H new ATOM 0 HA MET A 45 49.111 0.923 -6.112 1.00 0.00 H new ATOM 0 HB2 MET A 45 50.809 0.525 -8.640 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.086 2.072 -8.250 1.00 0.00 H new ATOM 0 HG2 MET A 45 51.902 0.544 -6.320 1.00 0.00 H new ATOM 0 HG3 MET A 45 52.496 1.766 -7.427 1.00 0.00 H new ATOM 0 HE1 MET A 45 52.312 2.995 -3.622 1.00 0.00 H new ATOM 0 HE2 MET A 45 52.881 1.578 -4.536 1.00 0.00 H new ATOM 0 HE3 MET A 45 53.387 3.213 -5.024 1.00 0.00 H new ATOM 697 N ARG A 46 47.968 -0.432 -8.877 1.00 0.00 N ATOM 698 CA ARG A 46 46.740 -0.498 -9.732 1.00 0.00 C ATOM 699 C ARG A 46 45.499 -0.776 -8.869 1.00 0.00 C ATOM 700 O ARG A 46 44.456 -0.182 -9.065 1.00 0.00 O ATOM 701 CB ARG A 46 46.995 -1.658 -10.703 1.00 0.00 C ATOM 702 CG ARG A 46 46.319 -1.366 -12.045 1.00 0.00 C ATOM 703 CD ARG A 46 44.900 -1.941 -12.040 1.00 0.00 C ATOM 704 NE ARG A 46 44.059 -0.911 -12.715 1.00 0.00 N ATOM 705 CZ ARG A 46 43.473 0.020 -12.014 1.00 0.00 C ATOM 706 NH1 ARG A 46 42.461 -0.280 -11.251 1.00 0.00 N ATOM 707 NH2 ARG A 46 43.898 1.248 -12.080 1.00 0.00 N ATOM 0 H ARG A 46 48.702 -1.095 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 46 46.553 0.439 -10.256 1.00 0.00 H new ATOM 0 HB2 ARG A 46 48.067 -1.795 -10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.608 -2.587 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 46 46.286 -0.291 -12.221 1.00 0.00 H new ATOM 0 HG3 ARG A 46 46.897 -1.805 -12.858 1.00 0.00 H new ATOM 0 HD2 ARG A 46 44.859 -2.892 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 46 44.554 -2.127 -11.023 1.00 0.00 H new ATOM 0 HE ARG A 46 43.942 -0.935 -13.728 1.00 0.00 H new ATOM 0 HH11 ARG A 46 42.127 -1.243 -11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.002 0.448 -10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 46 44.689 1.482 -12.680 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.440 1.976 -11.532 1.00 0.00 H new ATOM 721 N MET A 47 45.611 -1.668 -7.912 1.00 0.00 N ATOM 722 CA MET A 47 44.444 -1.984 -7.028 1.00 0.00 C ATOM 723 C MET A 47 44.109 -0.784 -6.126 1.00 0.00 C ATOM 724 O MET A 47 42.956 -0.519 -5.842 1.00 0.00 O ATOM 725 CB MET A 47 44.895 -3.181 -6.185 1.00 0.00 C ATOM 726 CG MET A 47 43.732 -3.664 -5.312 1.00 0.00 C ATOM 727 SD MET A 47 44.034 -5.371 -4.793 1.00 0.00 S ATOM 728 CE MET A 47 44.981 -4.990 -3.298 1.00 0.00 C ATOM 0 H MET A 47 46.462 -2.191 -7.705 1.00 0.00 H new ATOM 0 HA MET A 47 43.544 -2.205 -7.603 1.00 0.00 H new ATOM 0 HB2 MET A 47 45.235 -3.988 -6.834 1.00 0.00 H new ATOM 0 HB3 MET A 47 45.741 -2.899 -5.558 1.00 0.00 H new ATOM 0 HG2 MET A 47 43.627 -3.020 -4.439 1.00 0.00 H new ATOM 0 HG3 MET A 47 42.796 -3.602 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.276 -5.918 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 47 45.872 -4.422 -3.566 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.366 -4.400 -2.618 1.00 0.00 H new ATOM 738 N LEU A 48 45.106 -0.061 -5.676 1.00 0.00 N ATOM 739 CA LEU A 48 44.852 1.118 -4.797 1.00 0.00 C ATOM 740 C LEU A 48 44.308 2.293 -5.625 1.00 0.00 C ATOM 741 O LEU A 48 43.362 2.949 -5.233 1.00 0.00 O ATOM 742 CB LEU A 48 46.222 1.454 -4.193 1.00 0.00 C ATOM 743 CG LEU A 48 46.063 2.546 -3.136 1.00 0.00 C ATOM 744 CD1 LEU A 48 45.796 1.910 -1.770 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.344 3.379 -3.062 1.00 0.00 C ATOM 0 H LEU A 48 46.089 -0.240 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 48 44.108 0.915 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 48 46.662 0.563 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 48 46.904 1.788 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 48 45.224 3.187 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.683 2.693 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 48 44.882 1.318 -1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 48 46.632 1.265 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.229 4.157 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 48 48.182 2.735 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 48 47.535 3.839 -4.032 1.00 0.00 H new ATOM 757 N GLY A 49 44.896 2.561 -6.767 1.00 0.00 N ATOM 758 CA GLY A 49 44.410 3.691 -7.617 1.00 0.00 C ATOM 759 C GLY A 49 44.788 3.446 -9.082 1.00 0.00 C ATOM 760 O GLY A 49 43.958 3.069 -9.888 1.00 0.00 O ATOM 0 H GLY A 49 45.691 2.046 -7.146 1.00 0.00 H new ATOM 0 HA2 GLY A 49 43.328 3.788 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 49 44.845 4.629 -7.273 1.00 0.00 H new ATOM 764 N GLN A 50 46.032 3.662 -9.433 1.00 0.00 N ATOM 765 CA GLN A 50 46.469 3.446 -10.850 1.00 0.00 C ATOM 766 C GLN A 50 47.832 2.738 -10.893 1.00 0.00 C ATOM 767 O GLN A 50 48.478 2.558 -9.879 1.00 0.00 O ATOM 768 CB GLN A 50 46.567 4.852 -11.452 1.00 0.00 C ATOM 769 CG GLN A 50 45.165 5.352 -11.821 1.00 0.00 C ATOM 770 CD GLN A 50 45.271 6.652 -12.622 1.00 0.00 C ATOM 771 OE1 GLN A 50 45.336 6.628 -13.833 1.00 0.00 O ATOM 772 NE2 GLN A 50 45.288 7.794 -11.994 1.00 0.00 N ATOM 0 H GLN A 50 46.766 3.979 -8.799 1.00 0.00 H new ATOM 0 HA GLN A 50 45.775 2.813 -11.403 1.00 0.00 H new ATOM 0 HB2 GLN A 50 47.031 5.533 -10.738 1.00 0.00 H new ATOM 0 HB3 GLN A 50 47.203 4.836 -12.337 1.00 0.00 H new ATOM 0 HG2 GLN A 50 44.642 4.596 -12.406 1.00 0.00 H new ATOM 0 HG3 GLN A 50 44.579 5.518 -10.917 1.00 0.00 H new ATOM 0 HE21 GLN A 50 45.233 7.817 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 50 45.356 8.665 -12.521 1.00 0.00 H new ATOM 781 N ASN A 51 48.270 2.329 -12.060 1.00 0.00 N ATOM 782 CA ASN A 51 49.588 1.623 -12.165 1.00 0.00 C ATOM 783 C ASN A 51 50.658 2.530 -12.796 1.00 0.00 C ATOM 784 O ASN A 51 50.652 2.749 -13.993 1.00 0.00 O ATOM 785 CB ASN A 51 49.318 0.417 -13.070 1.00 0.00 C ATOM 786 CG ASN A 51 50.458 -0.595 -12.931 1.00 0.00 C ATOM 787 OD1 ASN A 51 50.318 -1.595 -12.259 1.00 0.00 O ATOM 788 ND2 ASN A 51 51.589 -0.378 -13.544 1.00 0.00 N ATOM 0 H ASN A 51 47.774 2.453 -12.943 1.00 0.00 H new ATOM 0 HA ASN A 51 49.967 1.335 -11.184 1.00 0.00 H new ATOM 0 HB2 ASN A 51 48.370 -0.048 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 51 49.230 0.740 -14.107 1.00 0.00 H new ATOM 0 HD21 ASN A 51 52.353 -1.048 -13.458 1.00 0.00 H new ATOM 0 HD22 ASN A 51 51.709 0.462 -14.110 1.00 0.00 H new ATOM 795 N PRO A 52 51.560 3.014 -11.971 1.00 0.00 N ATOM 796 CA PRO A 52 52.657 3.880 -12.471 1.00 0.00 C ATOM 797 C PRO A 52 53.739 3.027 -13.154 1.00 0.00 C ATOM 798 O PRO A 52 53.761 1.815 -13.026 1.00 0.00 O ATOM 799 CB PRO A 52 53.191 4.549 -11.206 1.00 0.00 C ATOM 800 CG PRO A 52 52.836 3.622 -10.084 1.00 0.00 C ATOM 801 CD PRO A 52 51.641 2.807 -10.518 1.00 0.00 C ATOM 0 HA PRO A 52 52.332 4.605 -13.217 1.00 0.00 H new ATOM 0 HB2 PRO A 52 54.269 4.698 -11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 52 52.741 5.531 -11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 52 53.677 2.970 -9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 52 52.605 4.187 -9.181 1.00 0.00 H new ATOM 0 HD2 PRO A 52 51.771 1.753 -10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 52 50.731 3.140 -10.019 1.00 0.00 H new ATOM 809 N THR A 53 54.630 3.648 -13.885 1.00 0.00 N ATOM 810 CA THR A 53 55.706 2.874 -14.587 1.00 0.00 C ATOM 811 C THR A 53 56.832 2.496 -13.612 1.00 0.00 C ATOM 812 O THR A 53 56.989 3.115 -12.576 1.00 0.00 O ATOM 813 CB THR A 53 56.236 3.814 -15.676 1.00 0.00 C ATOM 814 OG1 THR A 53 56.691 5.024 -15.081 1.00 0.00 O ATOM 815 CG2 THR A 53 55.122 4.120 -16.681 1.00 0.00 C ATOM 0 H THR A 53 54.661 4.657 -14.028 1.00 0.00 H new ATOM 0 HA THR A 53 55.324 1.941 -15.001 1.00 0.00 H new ATOM 0 HB THR A 53 57.065 3.333 -16.195 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.031 5.623 -15.778 1.00 0.00 H new ATOM 0 HG21 THR A 53 55.502 4.788 -17.453 1.00 0.00 H new ATOM 0 HG22 THR A 53 54.781 3.192 -17.140 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.289 4.598 -16.166 1.00 0.00 H new ATOM 823 N PRO A 54 57.591 1.488 -13.985 1.00 0.00 N ATOM 824 CA PRO A 54 58.722 1.021 -13.135 1.00 0.00 C ATOM 825 C PRO A 54 59.829 2.084 -13.067 1.00 0.00 C ATOM 826 O PRO A 54 60.424 2.296 -12.029 1.00 0.00 O ATOM 827 CB PRO A 54 59.207 -0.243 -13.847 1.00 0.00 C ATOM 828 CG PRO A 54 58.771 -0.069 -15.265 1.00 0.00 C ATOM 829 CD PRO A 54 57.477 0.697 -15.220 1.00 0.00 C ATOM 0 HA PRO A 54 58.432 0.834 -12.101 1.00 0.00 H new ATOM 0 HB2 PRO A 54 60.290 -0.347 -13.775 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.770 -1.139 -13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 54 59.523 0.472 -15.839 1.00 0.00 H new ATOM 0 HG3 PRO A 54 58.634 -1.035 -15.751 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.357 1.335 -16.096 1.00 0.00 H new ATOM 0 HD3 PRO A 54 56.616 0.029 -15.191 1.00 0.00 H new ATOM 837 N GLU A 55 60.101 2.758 -14.162 1.00 0.00 N ATOM 838 CA GLU A 55 61.162 3.815 -14.156 1.00 0.00 C ATOM 839 C GLU A 55 60.822 4.899 -13.121 1.00 0.00 C ATOM 840 O GLU A 55 61.686 5.390 -12.420 1.00 0.00 O ATOM 841 CB GLU A 55 61.156 4.394 -15.576 1.00 0.00 C ATOM 842 CG GLU A 55 62.224 5.491 -15.694 1.00 0.00 C ATOM 843 CD GLU A 55 61.559 6.828 -16.035 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.804 7.321 -15.214 1.00 0.00 O ATOM 845 OE2 GLU A 55 61.818 7.335 -17.113 1.00 0.00 O ATOM 0 H GLU A 55 59.634 2.621 -15.058 1.00 0.00 H new ATOM 0 HA GLU A 55 62.141 3.419 -13.887 1.00 0.00 H new ATOM 0 HB2 GLU A 55 61.351 3.604 -16.302 1.00 0.00 H new ATOM 0 HB3 GLU A 55 60.173 4.804 -15.807 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.775 5.577 -14.758 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.947 5.226 -16.466 1.00 0.00 H new ATOM 852 N GLU A 56 59.568 5.262 -13.013 1.00 0.00 N ATOM 853 CA GLU A 56 59.163 6.301 -12.015 1.00 0.00 C ATOM 854 C GLU A 56 59.368 5.776 -10.586 1.00 0.00 C ATOM 855 O GLU A 56 59.771 6.506 -9.701 1.00 0.00 O ATOM 856 CB GLU A 56 57.678 6.556 -12.284 1.00 0.00 C ATOM 857 CG GLU A 56 57.521 7.822 -13.128 1.00 0.00 C ATOM 858 CD GLU A 56 56.055 8.257 -13.134 1.00 0.00 C ATOM 859 OE1 GLU A 56 55.649 8.917 -12.192 1.00 0.00 O ATOM 860 OE2 GLU A 56 55.362 7.928 -14.083 1.00 0.00 O ATOM 0 H GLU A 56 58.805 4.883 -13.574 1.00 0.00 H new ATOM 0 HA GLU A 56 59.756 7.211 -12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 56 57.240 5.704 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.141 6.665 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 56 58.146 8.619 -12.725 1.00 0.00 H new ATOM 0 HG3 GLU A 56 57.860 7.636 -14.147 1.00 0.00 H new ATOM 867 N LEU A 57 59.093 4.514 -10.357 1.00 0.00 N ATOM 868 CA LEU A 57 59.271 3.935 -8.986 1.00 0.00 C ATOM 869 C LEU A 57 60.741 3.558 -8.726 1.00 0.00 C ATOM 870 O LEU A 57 61.108 3.236 -7.611 1.00 0.00 O ATOM 871 CB LEU A 57 58.390 2.681 -8.954 1.00 0.00 C ATOM 872 CG LEU A 57 56.928 3.057 -9.219 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.210 1.881 -9.882 1.00 0.00 C ATOM 874 CD2 LEU A 57 56.238 3.392 -7.895 1.00 0.00 C ATOM 0 H LEU A 57 58.753 3.859 -11.061 1.00 0.00 H new ATOM 0 HA LEU A 57 58.993 4.654 -8.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.732 1.968 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 57 58.477 2.190 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 57 56.892 3.924 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.170 2.149 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 57 56.700 1.641 -10.826 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.248 1.014 -9.223 1.00 0.00 H new ATOM 0 HD21 LEU A 57 55.198 3.659 -8.084 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.276 2.525 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.748 4.231 -7.421 1.00 0.00 H new ATOM 886 N GLN A 58 61.586 3.588 -9.736 1.00 0.00 N ATOM 887 CA GLN A 58 63.026 3.225 -9.523 1.00 0.00 C ATOM 888 C GLN A 58 63.643 4.126 -8.449 1.00 0.00 C ATOM 889 O GLN A 58 64.223 3.650 -7.492 1.00 0.00 O ATOM 890 CB GLN A 58 63.716 3.449 -10.874 1.00 0.00 C ATOM 891 CG GLN A 58 63.701 2.151 -11.694 1.00 0.00 C ATOM 892 CD GLN A 58 64.425 1.033 -10.932 1.00 0.00 C ATOM 893 OE1 GLN A 58 63.932 -0.073 -10.848 1.00 0.00 O ATOM 894 NE2 GLN A 58 65.579 1.269 -10.371 1.00 0.00 N ATOM 0 H GLN A 58 61.341 3.847 -10.692 1.00 0.00 H new ATOM 0 HA GLN A 58 63.139 2.195 -9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.208 4.242 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 58 64.743 3.777 -10.717 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.673 1.854 -11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.183 2.316 -12.657 1.00 0.00 H new ATOM 0 HE21 GLN A 58 65.999 2.196 -10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 58 66.062 0.526 -9.865 1.00 0.00 H new ATOM 903 N GLU A 59 63.509 5.423 -8.597 1.00 0.00 N ATOM 904 CA GLU A 59 64.076 6.365 -7.580 1.00 0.00 C ATOM 905 C GLU A 59 63.582 5.993 -6.172 1.00 0.00 C ATOM 906 O GLU A 59 64.333 6.034 -5.217 1.00 0.00 O ATOM 907 CB GLU A 59 63.566 7.752 -7.990 1.00 0.00 C ATOM 908 CG GLU A 59 64.064 8.805 -6.992 1.00 0.00 C ATOM 909 CD GLU A 59 65.593 8.881 -7.036 1.00 0.00 C ATOM 910 OE1 GLU A 59 66.108 9.544 -7.921 1.00 0.00 O ATOM 911 OE2 GLU A 59 66.221 8.275 -6.183 1.00 0.00 O ATOM 0 H GLU A 59 63.031 5.870 -9.379 1.00 0.00 H new ATOM 0 HA GLU A 59 65.165 6.330 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.914 7.996 -8.994 1.00 0.00 H new ATOM 0 HB3 GLU A 59 62.476 7.754 -8.022 1.00 0.00 H new ATOM 0 HG2 GLU A 59 63.636 9.778 -7.232 1.00 0.00 H new ATOM 0 HG3 GLU A 59 63.732 8.550 -5.985 1.00 0.00 H new ATOM 918 N MET A 60 62.326 5.619 -6.042 1.00 0.00 N ATOM 919 CA MET A 60 61.786 5.230 -4.697 1.00 0.00 C ATOM 920 C MET A 60 62.669 4.146 -4.059 1.00 0.00 C ATOM 921 O MET A 60 62.856 4.120 -2.859 1.00 0.00 O ATOM 922 CB MET A 60 60.373 4.690 -4.960 1.00 0.00 C ATOM 923 CG MET A 60 59.336 5.722 -4.507 1.00 0.00 C ATOM 924 SD MET A 60 59.228 7.052 -5.731 1.00 0.00 S ATOM 925 CE MET A 60 57.766 6.444 -6.609 1.00 0.00 C ATOM 0 H MET A 60 61.655 5.567 -6.808 1.00 0.00 H new ATOM 0 HA MET A 60 61.771 6.074 -4.007 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.247 4.474 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.226 3.752 -4.424 1.00 0.00 H new ATOM 0 HG2 MET A 60 58.363 5.246 -4.386 1.00 0.00 H new ATOM 0 HG3 MET A 60 59.614 6.130 -3.535 1.00 0.00 H new ATOM 0 HE1 MET A 60 57.952 6.463 -7.683 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.552 5.422 -6.296 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.912 7.080 -6.378 1.00 0.00 H new ATOM 935 N ILE A 61 63.224 3.264 -4.857 1.00 0.00 N ATOM 936 CA ILE A 61 64.110 2.193 -4.300 1.00 0.00 C ATOM 937 C ILE A 61 65.572 2.660 -4.308 1.00 0.00 C ATOM 938 O ILE A 61 66.291 2.469 -3.348 1.00 0.00 O ATOM 939 CB ILE A 61 63.930 0.983 -5.225 1.00 0.00 C ATOM 940 CG1 ILE A 61 62.485 0.470 -5.113 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.916 -0.119 -4.809 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.347 -0.890 -5.815 1.00 0.00 C ATOM 0 H ILE A 61 63.101 3.240 -5.869 1.00 0.00 H new ATOM 0 HA ILE A 61 63.854 1.950 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 61 64.127 1.269 -6.258 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.206 0.375 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.800 1.190 -5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.793 -0.983 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 61 65.936 0.256 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.719 -0.413 -3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 61 61.319 -1.242 -5.728 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.606 -0.784 -6.868 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.018 -1.611 -5.347 1.00 0.00 H new ATOM 954 N ASP A 62 66.015 3.264 -5.387 1.00 0.00 N ATOM 955 CA ASP A 62 67.435 3.739 -5.468 1.00 0.00 C ATOM 956 C ASP A 62 67.760 4.709 -4.317 1.00 0.00 C ATOM 957 O ASP A 62 68.873 4.742 -3.829 1.00 0.00 O ATOM 958 CB ASP A 62 67.544 4.451 -6.824 1.00 0.00 C ATOM 959 CG ASP A 62 67.438 3.433 -7.969 1.00 0.00 C ATOM 960 OD1 ASP A 62 68.037 2.373 -7.860 1.00 0.00 O ATOM 961 OD2 ASP A 62 66.760 3.734 -8.938 1.00 0.00 O ATOM 0 H ASP A 62 65.452 3.449 -6.217 1.00 0.00 H new ATOM 0 HA ASP A 62 68.142 2.914 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 62 66.754 5.196 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.493 4.983 -6.888 1.00 0.00 H new ATOM 966 N GLU A 63 66.802 5.493 -3.879 1.00 0.00 N ATOM 967 CA GLU A 63 67.065 6.453 -2.757 1.00 0.00 C ATOM 968 C GLU A 63 67.339 5.702 -1.439 1.00 0.00 C ATOM 969 O GLU A 63 68.022 6.205 -0.565 1.00 0.00 O ATOM 970 CB GLU A 63 65.788 7.294 -2.639 1.00 0.00 C ATOM 971 CG GLU A 63 66.048 8.500 -1.725 1.00 0.00 C ATOM 972 CD GLU A 63 64.904 8.655 -0.716 1.00 0.00 C ATOM 973 OE1 GLU A 63 64.533 7.666 -0.105 1.00 0.00 O ATOM 974 OE2 GLU A 63 64.429 9.767 -0.560 1.00 0.00 O ATOM 0 H GLU A 63 65.852 5.510 -4.249 1.00 0.00 H new ATOM 0 HA GLU A 63 67.945 7.066 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.472 7.634 -3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.977 6.687 -2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 63 66.993 8.369 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.140 9.406 -2.324 1.00 0.00 H new ATOM 981 N VAL A 64 66.814 4.508 -1.288 1.00 0.00 N ATOM 982 CA VAL A 64 67.047 3.733 -0.022 1.00 0.00 C ATOM 983 C VAL A 64 67.817 2.426 -0.294 1.00 0.00 C ATOM 984 O VAL A 64 67.940 1.589 0.580 1.00 0.00 O ATOM 985 CB VAL A 64 65.649 3.421 0.538 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.960 4.716 0.970 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.795 2.726 -0.530 1.00 0.00 C ATOM 0 H VAL A 64 66.236 4.036 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 64 67.652 4.307 0.680 1.00 0.00 H new ATOM 0 HB VAL A 64 65.758 2.761 1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.970 4.487 1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.555 5.205 1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.863 5.380 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.807 2.510 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.695 3.379 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 64 65.275 1.795 -0.831 1.00 0.00 H new ATOM 997 N ASP A 65 68.338 2.239 -1.485 1.00 0.00 N ATOM 998 CA ASP A 65 69.095 0.982 -1.785 1.00 0.00 C ATOM 999 C ASP A 65 70.525 1.082 -1.236 1.00 0.00 C ATOM 1000 O ASP A 65 71.164 2.113 -1.331 1.00 0.00 O ATOM 1001 CB ASP A 65 69.102 0.869 -3.313 1.00 0.00 C ATOM 1002 CG ASP A 65 69.594 -0.520 -3.722 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.819 -1.458 -3.621 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.738 -0.625 -4.128 1.00 0.00 O ATOM 0 H ASP A 65 68.272 2.900 -2.259 1.00 0.00 H new ATOM 0 HA ASP A 65 68.641 0.106 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 65 68.100 1.041 -3.705 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.748 1.635 -3.742 1.00 0.00 H new ATOM 1009 N GLU A 66 71.022 0.024 -0.647 1.00 0.00 N ATOM 1010 CA GLU A 66 72.404 0.060 -0.072 1.00 0.00 C ATOM 1011 C GLU A 66 73.254 -1.125 -0.563 1.00 0.00 C ATOM 1012 O GLU A 66 74.203 -1.518 0.090 1.00 0.00 O ATOM 1013 CB GLU A 66 72.190 -0.033 1.443 1.00 0.00 C ATOM 1014 CG GLU A 66 71.586 1.276 1.964 1.00 0.00 C ATOM 1015 CD GLU A 66 70.916 1.030 3.318 1.00 0.00 C ATOM 1016 OE1 GLU A 66 71.630 0.943 4.303 1.00 0.00 O ATOM 1017 OE2 GLU A 66 69.700 0.934 3.346 1.00 0.00 O ATOM 0 H GLU A 66 70.532 -0.864 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 66 72.941 0.960 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.528 -0.867 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 66 73.139 -0.230 1.942 1.00 0.00 H new ATOM 0 HG2 GLU A 66 72.364 2.033 2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 66 70.857 1.661 1.251 1.00 0.00 H new ATOM 1024 N ASP A 67 72.934 -1.703 -1.698 1.00 0.00 N ATOM 1025 CA ASP A 67 73.749 -2.862 -2.194 1.00 0.00 C ATOM 1026 C ASP A 67 73.957 -2.838 -3.722 1.00 0.00 C ATOM 1027 O ASP A 67 74.609 -3.709 -4.268 1.00 0.00 O ATOM 1028 CB ASP A 67 72.978 -4.119 -1.748 1.00 0.00 C ATOM 1029 CG ASP A 67 71.630 -4.251 -2.474 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.200 -3.299 -3.102 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.039 -5.311 -2.377 1.00 0.00 O ATOM 0 H ASP A 67 72.155 -1.428 -2.296 1.00 0.00 H new ATOM 0 HA ASP A 67 74.758 -2.831 -1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.583 -5.004 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.809 -4.078 -0.672 1.00 0.00 H new ATOM 1036 N GLY A 68 73.426 -1.861 -4.420 1.00 0.00 N ATOM 1037 CA GLY A 68 73.620 -1.811 -5.903 1.00 0.00 C ATOM 1038 C GLY A 68 72.539 -2.635 -6.620 1.00 0.00 C ATOM 1039 O GLY A 68 72.277 -2.425 -7.788 1.00 0.00 O ATOM 0 H GLY A 68 72.870 -1.101 -4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 68 73.583 -0.777 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 68 74.607 -2.196 -6.159 1.00 0.00 H new ATOM 1043 N SER A 69 71.910 -3.567 -5.936 1.00 0.00 N ATOM 1044 CA SER A 69 70.845 -4.395 -6.589 1.00 0.00 C ATOM 1045 C SER A 69 69.708 -3.499 -7.105 1.00 0.00 C ATOM 1046 O SER A 69 69.032 -3.837 -8.059 1.00 0.00 O ATOM 1047 CB SER A 69 70.338 -5.347 -5.494 1.00 0.00 C ATOM 1048 OG SER A 69 69.213 -4.773 -4.828 1.00 0.00 O ATOM 0 H SER A 69 72.089 -3.788 -4.956 1.00 0.00 H new ATOM 0 HA SER A 69 71.226 -4.943 -7.451 1.00 0.00 H new ATOM 0 HB2 SER A 69 70.060 -6.305 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.134 -5.545 -4.776 1.00 0.00 H new ATOM 0 HG SER A 69 69.524 -4.182 -4.111 1.00 0.00 H new ATOM 1054 N GLY A 70 69.495 -2.364 -6.483 1.00 0.00 N ATOM 1055 CA GLY A 70 68.401 -1.447 -6.938 1.00 0.00 C ATOM 1056 C GLY A 70 67.030 -2.044 -6.590 1.00 0.00 C ATOM 1057 O GLY A 70 66.053 -1.809 -7.274 1.00 0.00 O ATOM 0 H GLY A 70 70.031 -2.033 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.512 -0.472 -6.463 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.474 -1.288 -8.014 1.00 0.00 H new ATOM 1061 N THR A 71 66.952 -2.806 -5.527 1.00 0.00 N ATOM 1062 CA THR A 71 65.647 -3.417 -5.114 1.00 0.00 C ATOM 1063 C THR A 71 65.467 -3.231 -3.605 1.00 0.00 C ATOM 1064 O THR A 71 66.420 -3.299 -2.858 1.00 0.00 O ATOM 1065 CB THR A 71 65.757 -4.907 -5.467 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.345 -5.053 -6.753 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.365 -5.539 -5.477 1.00 0.00 C ATOM 0 H THR A 71 67.741 -3.033 -4.922 1.00 0.00 H new ATOM 0 HA THR A 71 64.792 -2.959 -5.612 1.00 0.00 H new ATOM 0 HB THR A 71 66.379 -5.404 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.415 -6.005 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 71 64.447 -6.597 -5.728 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.911 -5.434 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.743 -5.038 -6.218 1.00 0.00 H new ATOM 1075 N VAL A 72 64.266 -2.984 -3.150 1.00 0.00 N ATOM 1076 CA VAL A 72 64.055 -2.774 -1.682 1.00 0.00 C ATOM 1077 C VAL A 72 64.099 -4.105 -0.919 1.00 0.00 C ATOM 1078 O VAL A 72 63.229 -4.946 -1.059 1.00 0.00 O ATOM 1079 CB VAL A 72 62.674 -2.113 -1.546 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.161 -2.254 -0.106 1.00 0.00 C ATOM 1081 CG2 VAL A 72 62.791 -0.625 -1.883 1.00 0.00 C ATOM 0 H VAL A 72 63.426 -2.918 -3.725 1.00 0.00 H new ATOM 0 HA VAL A 72 64.842 -2.151 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 72 61.979 -2.602 -2.229 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.182 -1.782 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.078 -3.311 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 72 62.858 -1.769 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 72 61.813 -0.152 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 72 63.492 -0.150 -1.196 1.00 0.00 H new ATOM 0 HG23 VAL A 72 63.151 -0.511 -2.905 1.00 0.00 H new ATOM 1091 N ASP A 73 65.096 -4.279 -0.090 1.00 0.00 N ATOM 1092 CA ASP A 73 65.199 -5.530 0.721 1.00 0.00 C ATOM 1093 C ASP A 73 64.427 -5.331 2.033 1.00 0.00 C ATOM 1094 O ASP A 73 63.853 -4.281 2.263 1.00 0.00 O ATOM 1095 CB ASP A 73 66.699 -5.723 1.009 1.00 0.00 C ATOM 1096 CG ASP A 73 67.539 -5.607 -0.274 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.016 -5.859 -1.350 1.00 0.00 O ATOM 1098 OD2 ASP A 73 68.702 -5.268 -0.154 1.00 0.00 O ATOM 0 H ASP A 73 65.847 -3.605 0.061 1.00 0.00 H new ATOM 0 HA ASP A 73 64.784 -6.397 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 67.031 -4.977 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.860 -6.700 1.464 1.00 0.00 H new ATOM 1103 N PHE A 74 64.415 -6.309 2.904 1.00 0.00 N ATOM 1104 CA PHE A 74 63.682 -6.133 4.200 1.00 0.00 C ATOM 1105 C PHE A 74 64.337 -5.012 5.021 1.00 0.00 C ATOM 1106 O PHE A 74 63.663 -4.185 5.605 1.00 0.00 O ATOM 1107 CB PHE A 74 63.793 -7.476 4.930 1.00 0.00 C ATOM 1108 CG PHE A 74 63.004 -7.409 6.219 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.624 -7.165 6.185 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.652 -7.580 7.448 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.894 -7.094 7.377 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.921 -7.510 8.641 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.543 -7.266 8.606 1.00 0.00 C ATOM 0 H PHE A 74 64.874 -7.211 2.779 1.00 0.00 H new ATOM 0 HA PHE A 74 62.640 -5.854 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.413 -8.279 4.299 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.838 -7.704 5.141 1.00 0.00 H new ATOM 0 HD1 PHE A 74 61.123 -7.032 5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.716 -7.766 7.476 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.831 -6.907 7.349 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.421 -7.644 9.589 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.981 -7.210 9.526 1.00 0.00 H new ATOM 1123 N ASP A 75 65.648 -4.976 5.055 1.00 0.00 N ATOM 1124 CA ASP A 75 66.362 -3.908 5.822 1.00 0.00 C ATOM 1125 C ASP A 75 66.118 -2.536 5.175 1.00 0.00 C ATOM 1126 O ASP A 75 65.789 -1.576 5.847 1.00 0.00 O ATOM 1127 CB ASP A 75 67.842 -4.292 5.740 1.00 0.00 C ATOM 1128 CG ASP A 75 68.157 -5.344 6.804 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.705 -6.467 6.651 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.845 -5.009 7.753 1.00 0.00 O ATOM 0 H ASP A 75 66.256 -5.644 4.582 1.00 0.00 H new ATOM 0 HA ASP A 75 66.017 -3.833 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 75 68.073 -4.682 4.749 1.00 0.00 H new ATOM 0 HB3 ASP A 75 68.466 -3.411 5.889 1.00 0.00 H new ATOM 1135 N GLU A 76 66.262 -2.444 3.873 1.00 0.00 N ATOM 1136 CA GLU A 76 66.023 -1.140 3.174 1.00 0.00 C ATOM 1137 C GLU A 76 64.554 -0.732 3.327 1.00 0.00 C ATOM 1138 O GLU A 76 64.240 0.430 3.508 1.00 0.00 O ATOM 1139 CB GLU A 76 66.355 -1.405 1.706 1.00 0.00 C ATOM 1140 CG GLU A 76 67.877 -1.410 1.520 1.00 0.00 C ATOM 1141 CD GLU A 76 68.249 -1.941 0.130 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.379 -2.014 -0.721 1.00 0.00 O ATOM 1143 OE2 GLU A 76 69.409 -2.262 -0.065 1.00 0.00 O ATOM 0 H GLU A 76 66.535 -3.216 3.264 1.00 0.00 H new ATOM 0 HA GLU A 76 66.628 -0.332 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.937 -2.362 1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.903 -0.639 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 76 68.268 -0.400 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.341 -2.029 2.288 1.00 0.00 H new ATOM 1150 N PHE A 77 63.656 -1.688 3.271 1.00 0.00 N ATOM 1151 CA PHE A 77 62.203 -1.376 3.431 1.00 0.00 C ATOM 1152 C PHE A 77 61.972 -0.669 4.775 1.00 0.00 C ATOM 1153 O PHE A 77 61.215 0.280 4.860 1.00 0.00 O ATOM 1154 CB PHE A 77 61.502 -2.739 3.400 1.00 0.00 C ATOM 1155 CG PHE A 77 60.005 -2.552 3.462 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.316 -2.027 2.363 1.00 0.00 C ATOM 1157 CD2 PHE A 77 59.307 -2.911 4.620 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.927 -1.861 2.422 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.920 -2.745 4.681 1.00 0.00 C ATOM 1160 CZ PHE A 77 57.229 -2.220 3.583 1.00 0.00 C ATOM 0 H PHE A 77 63.870 -2.674 3.121 1.00 0.00 H new ATOM 0 HA PHE A 77 61.824 -0.713 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.772 -3.275 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.836 -3.348 4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.856 -1.750 1.469 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.840 -3.317 5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.394 -1.457 1.574 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.382 -3.022 5.575 1.00 0.00 H new ATOM 0 HZ PHE A 77 56.158 -2.092 3.630 1.00 0.00 H new ATOM 1170 N LEU A 78 62.638 -1.110 5.820 1.00 0.00 N ATOM 1171 CA LEU A 78 62.477 -0.446 7.153 1.00 0.00 C ATOM 1172 C LEU A 78 62.970 1.004 7.065 1.00 0.00 C ATOM 1173 O LEU A 78 62.326 1.914 7.552 1.00 0.00 O ATOM 1174 CB LEU A 78 63.344 -1.255 8.125 1.00 0.00 C ATOM 1175 CG LEU A 78 62.639 -2.568 8.483 1.00 0.00 C ATOM 1176 CD1 LEU A 78 63.637 -3.519 9.148 1.00 0.00 C ATOM 1177 CD2 LEU A 78 61.486 -2.288 9.452 1.00 0.00 C ATOM 0 H LEU A 78 63.284 -1.899 5.805 1.00 0.00 H new ATOM 0 HA LEU A 78 61.438 -0.419 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 78 64.314 -1.464 7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 78 63.531 -0.675 9.028 1.00 0.00 H new ATOM 0 HG LEU A 78 62.247 -3.024 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 78 63.136 -4.453 9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 78 64.458 -3.724 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 78 64.029 -3.059 10.055 1.00 0.00 H new ATOM 0 HD21 LEU A 78 60.987 -3.224 9.704 1.00 0.00 H new ATOM 0 HD22 LEU A 78 61.877 -1.829 10.360 1.00 0.00 H new ATOM 0 HD23 LEU A 78 60.772 -1.611 8.982 1.00 0.00 H new ATOM 1189 N VAL A 79 64.098 1.223 6.425 1.00 0.00 N ATOM 1190 CA VAL A 79 64.632 2.618 6.277 1.00 0.00 C ATOM 1191 C VAL A 79 63.625 3.471 5.492 1.00 0.00 C ATOM 1192 O VAL A 79 63.393 4.622 5.807 1.00 0.00 O ATOM 1193 CB VAL A 79 65.949 2.473 5.495 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.498 3.858 5.136 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.980 1.732 6.353 1.00 0.00 C ATOM 0 H VAL A 79 64.672 0.495 5.999 1.00 0.00 H new ATOM 0 HA VAL A 79 64.794 3.106 7.238 1.00 0.00 H new ATOM 0 HB VAL A 79 65.757 1.910 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 79 67.430 3.747 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.772 4.389 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 79 66.683 4.424 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.912 1.631 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 79 67.164 2.295 7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.599 0.742 6.606 1.00 0.00 H new ATOM 1205 N MET A 80 63.014 2.901 4.481 1.00 0.00 N ATOM 1206 CA MET A 80 62.005 3.660 3.678 1.00 0.00 C ATOM 1207 C MET A 80 60.767 3.961 4.535 1.00 0.00 C ATOM 1208 O MET A 80 60.150 5.001 4.401 1.00 0.00 O ATOM 1209 CB MET A 80 61.641 2.727 2.518 1.00 0.00 C ATOM 1210 CG MET A 80 61.132 3.551 1.331 1.00 0.00 C ATOM 1211 SD MET A 80 61.384 2.621 -0.203 1.00 0.00 S ATOM 1212 CE MET A 80 59.952 1.525 -0.050 1.00 0.00 C ATOM 0 H MET A 80 63.172 1.940 4.177 1.00 0.00 H new ATOM 0 HA MET A 80 62.389 4.617 3.326 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.513 2.144 2.221 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.876 2.018 2.835 1.00 0.00 H new ATOM 0 HG2 MET A 80 60.074 3.780 1.460 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.660 4.503 1.282 1.00 0.00 H new ATOM 0 HE1 MET A 80 59.904 0.866 -0.917 1.00 0.00 H new ATOM 0 HE2 MET A 80 60.047 0.927 0.856 1.00 0.00 H new ATOM 0 HE3 MET A 80 59.041 2.122 0.003 1.00 0.00 H new ATOM 1222 N MET A 81 60.403 3.056 5.414 1.00 0.00 N ATOM 1223 CA MET A 81 59.205 3.280 6.283 1.00 0.00 C ATOM 1224 C MET A 81 59.483 4.375 7.321 1.00 0.00 C ATOM 1225 O MET A 81 58.723 5.317 7.453 1.00 0.00 O ATOM 1226 CB MET A 81 58.949 1.935 6.970 1.00 0.00 C ATOM 1227 CG MET A 81 58.166 1.019 6.026 1.00 0.00 C ATOM 1228 SD MET A 81 56.551 1.756 5.669 1.00 0.00 S ATOM 1229 CE MET A 81 56.226 0.859 4.133 1.00 0.00 C ATOM 0 H MET A 81 60.886 2.171 5.566 1.00 0.00 H new ATOM 0 HA MET A 81 58.342 3.613 5.706 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.895 1.469 7.244 1.00 0.00 H new ATOM 0 HB3 MET A 81 58.390 2.087 7.893 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.723 0.872 5.101 1.00 0.00 H new ATOM 0 HG3 MET A 81 58.037 0.037 6.480 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.611 1.474 3.476 1.00 0.00 H new ATOM 0 HE2 MET A 81 57.170 0.631 3.638 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.701 -0.069 4.358 1.00 0.00 H new ATOM 1239 N VAL A 82 60.563 4.265 8.060 1.00 0.00 N ATOM 1240 CA VAL A 82 60.876 5.312 9.089 1.00 0.00 C ATOM 1241 C VAL A 82 61.104 6.680 8.420 1.00 0.00 C ATOM 1242 O VAL A 82 60.916 7.712 9.035 1.00 0.00 O ATOM 1243 CB VAL A 82 62.144 4.839 9.824 1.00 0.00 C ATOM 1244 CG1 VAL A 82 61.879 3.495 10.511 1.00 0.00 C ATOM 1245 CG2 VAL A 82 63.309 4.683 8.839 1.00 0.00 C ATOM 0 H VAL A 82 61.237 3.502 7.997 1.00 0.00 H new ATOM 0 HA VAL A 82 60.048 5.438 9.787 1.00 0.00 H new ATOM 0 HB VAL A 82 62.408 5.587 10.572 1.00 0.00 H new ATOM 0 HG11 VAL A 82 62.780 3.167 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 82 61.068 3.608 11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.600 2.753 9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 82 64.197 4.348 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 82 63.046 3.948 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 82 63.513 5.642 8.362 1.00 0.00 H new ATOM 1255 N ARG A 83 61.489 6.696 7.162 1.00 0.00 N ATOM 1256 CA ARG A 83 61.707 8.000 6.456 1.00 0.00 C ATOM 1257 C ARG A 83 60.393 8.792 6.387 1.00 0.00 C ATOM 1258 O ARG A 83 60.391 10.008 6.425 1.00 0.00 O ATOM 1259 CB ARG A 83 62.191 7.623 5.054 1.00 0.00 C ATOM 1260 CG ARG A 83 63.709 7.784 4.994 1.00 0.00 C ATOM 1261 CD ARG A 83 64.247 7.160 3.706 1.00 0.00 C ATOM 1262 NE ARG A 83 65.680 7.578 3.658 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.199 7.994 2.540 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.003 9.219 2.149 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.919 7.185 1.818 1.00 0.00 N ATOM 0 H ARG A 83 61.661 5.864 6.597 1.00 0.00 H new ATOM 0 HA ARG A 83 62.429 8.633 6.972 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.912 6.595 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.715 8.259 4.307 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.973 8.841 5.035 1.00 0.00 H new ATOM 0 HG3 ARG A 83 64.169 7.307 5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.151 6.074 3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.700 7.517 2.833 1.00 0.00 H new ATOM 0 HE ARG A 83 66.252 7.537 4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 83 65.443 9.853 2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 83 66.410 9.546 1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 83 67.076 6.226 2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.327 7.510 0.941 1.00 0.00 H new ATOM 1279 N CYS A 84 59.278 8.108 6.311 1.00 0.00 N ATOM 1280 CA CYS A 84 57.960 8.811 6.271 1.00 0.00 C ATOM 1281 C CYS A 84 57.479 9.081 7.707 1.00 0.00 C ATOM 1282 O CYS A 84 56.796 10.052 7.970 1.00 0.00 O ATOM 1283 CB CYS A 84 57.009 7.846 5.555 1.00 0.00 C ATOM 1284 SG CYS A 84 55.677 8.786 4.766 1.00 0.00 S ATOM 0 H CYS A 84 59.225 7.090 6.275 1.00 0.00 H new ATOM 0 HA CYS A 84 58.013 9.772 5.759 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.554 7.269 4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 84 56.593 7.133 6.267 1.00 0.00 H new ATOM 0 HG CYS A 84 54.995 8.001 3.986 1.00 0.00 H new ATOM 1290 N MET A 85 57.835 8.220 8.635 1.00 0.00 N ATOM 1291 CA MET A 85 57.407 8.410 10.059 1.00 0.00 C ATOM 1292 C MET A 85 58.205 9.537 10.735 1.00 0.00 C ATOM 1293 O MET A 85 57.696 10.222 11.602 1.00 0.00 O ATOM 1294 CB MET A 85 57.701 7.073 10.748 1.00 0.00 C ATOM 1295 CG MET A 85 56.533 6.110 10.529 1.00 0.00 C ATOM 1296 SD MET A 85 56.815 4.595 11.480 1.00 0.00 S ATOM 1297 CE MET A 85 57.579 3.630 10.154 1.00 0.00 C ATOM 0 H MET A 85 58.405 7.392 8.465 1.00 0.00 H new ATOM 0 HA MET A 85 56.356 8.691 10.123 1.00 0.00 H new ATOM 0 HB2 MET A 85 58.619 6.642 10.349 1.00 0.00 H new ATOM 0 HB3 MET A 85 57.860 7.230 11.815 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.599 6.578 10.839 1.00 0.00 H new ATOM 0 HG3 MET A 85 56.436 5.874 9.469 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.644 2.585 10.456 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.974 3.710 9.251 1.00 0.00 H new ATOM 0 HE3 MET A 85 58.580 4.013 9.956 1.00 0.00 H new ATOM 1475 N SER B 149 51.875 6.667 1.921 1.00 0.00 N ATOM 1476 CA SER B 149 52.124 6.615 3.392 1.00 0.00 C ATOM 1477 C SER B 149 51.942 5.184 3.910 1.00 0.00 C ATOM 1478 O SER B 149 51.420 4.325 3.221 1.00 0.00 O ATOM 1479 CB SER B 149 51.079 7.552 4.003 1.00 0.00 C ATOM 1480 OG SER B 149 51.243 7.585 5.416 1.00 0.00 O ATOM 0 HA SER B 149 53.139 6.916 3.652 1.00 0.00 H new ATOM 0 HB2 SER B 149 51.188 8.555 3.590 1.00 0.00 H new ATOM 0 HB3 SER B 149 50.075 7.210 3.750 1.00 0.00 H new ATOM 0 HG SER B 149 50.576 8.186 5.809 1.00 0.00 H new ATOM 1486 N ALA B 150 52.368 4.929 5.120 1.00 0.00 N ATOM 1487 CA ALA B 150 52.227 3.559 5.707 1.00 0.00 C ATOM 1488 C ALA B 150 50.758 3.104 5.672 1.00 0.00 C ATOM 1489 O ALA B 150 50.464 1.951 5.415 1.00 0.00 O ATOM 1490 CB ALA B 150 52.717 3.699 7.150 1.00 0.00 C ATOM 0 H ALA B 150 52.811 5.614 5.732 1.00 0.00 H new ATOM 0 HA ALA B 150 52.795 2.812 5.152 1.00 0.00 H new ATOM 0 HB1 ALA B 150 52.646 2.735 7.653 1.00 0.00 H new ATOM 0 HB2 ALA B 150 53.754 4.034 7.151 1.00 0.00 H new ATOM 0 HB3 ALA B 150 52.100 4.428 7.675 1.00 0.00 H new ATOM 1496 N ASP B 151 49.835 4.005 5.921 1.00 0.00 N ATOM 1497 CA ASP B 151 48.385 3.633 5.897 1.00 0.00 C ATOM 1498 C ASP B 151 47.958 3.230 4.478 1.00 0.00 C ATOM 1499 O ASP B 151 47.299 2.226 4.287 1.00 0.00 O ATOM 1500 CB ASP B 151 47.638 4.894 6.348 1.00 0.00 C ATOM 1501 CG ASP B 151 47.054 4.672 7.743 1.00 0.00 C ATOM 1502 OD1 ASP B 151 45.991 4.080 7.832 1.00 0.00 O ATOM 1503 OD2 ASP B 151 47.680 5.098 8.698 1.00 0.00 O ATOM 0 H ASP B 151 50.025 4.983 6.140 1.00 0.00 H new ATOM 0 HA ASP B 151 48.171 2.782 6.543 1.00 0.00 H new ATOM 0 HB2 ASP B 151 48.317 5.747 6.358 1.00 0.00 H new ATOM 0 HB3 ASP B 151 46.841 5.129 5.642 1.00 0.00 H new ATOM 1508 N ALA B 152 48.334 4.004 3.484 1.00 0.00 N ATOM 1509 CA ALA B 152 47.954 3.671 2.071 1.00 0.00 C ATOM 1510 C ALA B 152 48.318 2.216 1.741 1.00 0.00 C ATOM 1511 O ALA B 152 47.509 1.473 1.216 1.00 0.00 O ATOM 1512 CB ALA B 152 48.759 4.637 1.198 1.00 0.00 C ATOM 0 H ALA B 152 48.889 4.853 3.591 1.00 0.00 H new ATOM 0 HA ALA B 152 46.881 3.771 1.906 1.00 0.00 H new ATOM 0 HB1 ALA B 152 48.533 4.453 0.148 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.494 5.663 1.452 1.00 0.00 H new ATOM 0 HB3 ALA B 152 49.824 4.483 1.372 1.00 0.00 H new ATOM 1518 N MET B 153 49.523 1.802 2.053 1.00 0.00 N ATOM 1519 CA MET B 153 49.931 0.389 1.766 1.00 0.00 C ATOM 1520 C MET B 153 49.063 -0.585 2.574 1.00 0.00 C ATOM 1521 O MET B 153 48.613 -1.594 2.066 1.00 0.00 O ATOM 1522 CB MET B 153 51.396 0.288 2.204 1.00 0.00 C ATOM 1523 CG MET B 153 52.304 0.838 1.100 1.00 0.00 C ATOM 1524 SD MET B 153 52.213 -0.243 -0.350 1.00 0.00 S ATOM 1525 CE MET B 153 52.024 1.053 -1.600 1.00 0.00 C ATOM 0 H MET B 153 50.240 2.379 2.493 1.00 0.00 H new ATOM 0 HA MET B 153 49.807 0.135 0.713 1.00 0.00 H new ATOM 0 HB2 MET B 153 51.549 0.848 3.127 1.00 0.00 H new ATOM 0 HB3 MET B 153 51.652 -0.750 2.415 1.00 0.00 H new ATOM 0 HG2 MET B 153 51.998 1.849 0.833 1.00 0.00 H new ATOM 0 HG3 MET B 153 53.332 0.900 1.457 1.00 0.00 H new ATOM 0 HE1 MET B 153 51.948 0.598 -2.587 1.00 0.00 H new ATOM 0 HE2 MET B 153 51.121 1.627 -1.395 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.889 1.715 -1.571 1.00 0.00 H new ATOM 1535 N MET B 154 48.819 -0.281 3.826 1.00 0.00 N ATOM 1536 CA MET B 154 47.972 -1.178 4.676 1.00 0.00 C ATOM 1537 C MET B 154 46.532 -1.230 4.136 1.00 0.00 C ATOM 1538 O MET B 154 45.889 -2.259 4.172 1.00 0.00 O ATOM 1539 CB MET B 154 47.994 -0.544 6.071 1.00 0.00 C ATOM 1540 CG MET B 154 49.043 -1.238 6.943 1.00 0.00 C ATOM 1541 SD MET B 154 49.131 -0.402 8.546 1.00 0.00 S ATOM 1542 CE MET B 154 50.758 -1.019 9.042 1.00 0.00 C ATOM 0 H MET B 154 49.171 0.552 4.298 1.00 0.00 H new ATOM 0 HA MET B 154 48.345 -2.202 4.684 1.00 0.00 H new ATOM 0 HB2 MET B 154 48.220 0.520 5.993 1.00 0.00 H new ATOM 0 HB3 MET B 154 47.011 -0.628 6.534 1.00 0.00 H new ATOM 0 HG2 MET B 154 48.783 -2.287 7.080 1.00 0.00 H new ATOM 0 HG3 MET B 154 50.016 -1.213 6.452 1.00 0.00 H new ATOM 0 HE1 MET B 154 51.261 -0.269 9.652 1.00 0.00 H new ATOM 0 HE2 MET B 154 50.639 -1.936 9.620 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.355 -1.225 8.154 1.00 0.00 H new ATOM 1552 N GLN B 155 46.026 -0.124 3.643 1.00 0.00 N ATOM 1553 CA GLN B 155 44.624 -0.095 3.104 1.00 0.00 C ATOM 1554 C GLN B 155 44.433 -1.120 1.969 1.00 0.00 C ATOM 1555 O GLN B 155 43.366 -1.684 1.819 1.00 0.00 O ATOM 1556 CB GLN B 155 44.429 1.332 2.576 1.00 0.00 C ATOM 1557 CG GLN B 155 43.538 2.126 3.538 1.00 0.00 C ATOM 1558 CD GLN B 155 44.406 2.943 4.499 1.00 0.00 C ATOM 1559 OE1 GLN B 155 44.793 4.052 4.192 1.00 0.00 O ATOM 1560 NE2 GLN B 155 44.730 2.439 5.657 1.00 0.00 N ATOM 0 H GLN B 155 46.524 0.764 3.590 1.00 0.00 H new ATOM 0 HA GLN B 155 43.897 -0.357 3.873 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.395 1.825 2.470 1.00 0.00 H new ATOM 0 HB3 GLN B 155 43.975 1.304 1.585 1.00 0.00 H new ATOM 0 HG2 GLN B 155 42.881 2.789 2.975 1.00 0.00 H new ATOM 0 HG3 GLN B 155 42.899 1.446 4.101 1.00 0.00 H new ATOM 0 HE21 GLN B 155 44.406 1.507 5.916 1.00 0.00 H new ATOM 0 HE22 GLN B 155 45.308 2.976 6.303 1.00 0.00 H new ATOM 1569 N ALA B 156 45.446 -1.359 1.169 1.00 0.00 N ATOM 1570 CA ALA B 156 45.301 -2.343 0.045 1.00 0.00 C ATOM 1571 C ALA B 156 45.931 -3.699 0.409 1.00 0.00 C ATOM 1572 O ALA B 156 45.358 -4.741 0.152 1.00 0.00 O ATOM 1573 CB ALA B 156 46.038 -1.710 -1.141 1.00 0.00 C ATOM 0 H ALA B 156 46.363 -0.918 1.244 1.00 0.00 H new ATOM 0 HA ALA B 156 44.253 -2.542 -0.180 1.00 0.00 H new ATOM 0 HB1 ALA B 156 45.976 -2.373 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA B 156 45.579 -0.752 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.084 -1.554 -0.878 1.00 0.00 H new ATOM 1579 N LEU B 157 47.107 -3.694 0.991 1.00 0.00 N ATOM 1580 CA LEU B 157 47.778 -4.985 1.360 1.00 0.00 C ATOM 1581 C LEU B 157 47.134 -5.603 2.611 1.00 0.00 C ATOM 1582 O LEU B 157 46.985 -6.806 2.707 1.00 0.00 O ATOM 1583 CB LEU B 157 49.240 -4.612 1.631 1.00 0.00 C ATOM 1584 CG LEU B 157 49.964 -4.386 0.300 1.00 0.00 C ATOM 1585 CD1 LEU B 157 51.086 -3.365 0.488 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.562 -5.708 -0.185 1.00 0.00 C ATOM 0 H LEU B 157 47.633 -2.852 1.227 1.00 0.00 H new ATOM 0 HA LEU B 157 47.685 -5.729 0.569 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.289 -3.711 2.242 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.731 -5.406 2.194 1.00 0.00 H new ATOM 0 HG LEU B 157 49.253 -4.011 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU B 157 51.598 -3.208 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.665 -2.421 0.834 1.00 0.00 H new ATOM 0 HD13 LEU B 157 51.797 -3.737 1.226 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.077 -5.548 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU B 157 51.270 -6.080 0.555 1.00 0.00 H new ATOM 0 HD23 LEU B 157 49.765 -6.438 -0.324 1.00 0.00 H new ATOM 1598 N LEU B 158 46.751 -4.793 3.565 1.00 0.00 N ATOM 1599 CA LEU B 158 46.114 -5.331 4.809 1.00 0.00 C ATOM 1600 C LEU B 158 44.644 -4.885 4.894 1.00 0.00 C ATOM 1601 O LEU B 158 44.114 -4.665 5.968 1.00 0.00 O ATOM 1602 CB LEU B 158 46.927 -4.725 5.956 1.00 0.00 C ATOM 1603 CG LEU B 158 48.145 -5.604 6.250 1.00 0.00 C ATOM 1604 CD1 LEU B 158 49.403 -4.946 5.680 1.00 0.00 C ATOM 1605 CD2 LEU B 158 48.296 -5.764 7.763 1.00 0.00 C ATOM 0 H LEU B 158 46.852 -3.778 3.537 1.00 0.00 H new ATOM 0 HA LEU B 158 46.113 -6.421 4.836 1.00 0.00 H new ATOM 0 HB2 LEU B 158 47.249 -3.718 5.693 1.00 0.00 H new ATOM 0 HB3 LEU B 158 46.306 -4.638 6.848 1.00 0.00 H new ATOM 0 HG LEU B 158 48.009 -6.582 5.788 1.00 0.00 H new ATOM 0 HD11 LEU B 158 50.269 -5.574 5.890 1.00 0.00 H new ATOM 0 HD12 LEU B 158 49.295 -4.827 4.602 1.00 0.00 H new ATOM 0 HD13 LEU B 158 49.543 -3.968 6.141 1.00 0.00 H new ATOM 0 HD21 LEU B 158 49.162 -6.389 7.978 1.00 0.00 H new ATOM 0 HD22 LEU B 158 48.433 -4.784 8.221 1.00 0.00 H new ATOM 0 HD23 LEU B 158 47.400 -6.233 8.171 1.00 0.00 H new