USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 646 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 60 ASN :FLIP amide:sc= -1.02! F(o=-2.1,f=-0.73!) USER MOD Set 1.2: A 63 THR OG1 : rot -84:sc= 0.284 USER MOD Single : A 1AGLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1BSER OG : rot 180:sc= 0 USER MOD Single : A 1CMET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 8 TYR OH : rot 180:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -156:sc=-0.00873 (180deg=-0.414) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -2.65! C(o=-2.7!,f=-8.2!) USER MOD Single : A 31 THR OG1 : rot -92:sc=-0.00994 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.162 F(o=-0.79,f=-0.16) USER MOD Single : A 34 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.757) USER MOD Single : A 36 SER OG : rot 180:sc= -0.375 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.101) USER MOD Single : A 57 ASN : amide:sc= -0.848 X(o=-0.85,f=-0.49) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.387 USER MOD Single : A 62 THR OG1 : rot 118:sc= 0.945 USER MOD Single : A 72 THR OG1 : rot -37:sc= 0.546 USER MOD Single : A 73 TYR OH : rot 90:sc= -2.56! USER MOD Single : A 76 TYR OH : rot 180:sc= -0.711 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0.468 (180deg=0.433) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00885 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 20.475 -4.966 -9.835 1.00 0.00 N ATOM 2 CA GLY A 1A 20.852 -3.619 -9.317 1.00 0.00 C ATOM 3 C GLY A 1A 19.610 -2.871 -8.819 1.00 0.00 C ATOM 4 O GLY A 1A 19.519 -2.519 -7.659 1.00 0.00 O ATOM 0 H1 GLY A 1A 21.327 -5.461 -10.169 1.00 0.00 H new ATOM 0 H2 GLY A 1A 20.030 -5.518 -9.075 1.00 0.00 H new ATOM 0 H3 GLY A 1A 19.805 -4.860 -10.623 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 21.572 -3.723 -8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 21.340 -3.043 -10.104 1.00 0.00 H new ATOM 10 N SER A 1B 18.688 -2.655 -9.725 1.00 0.00 N ATOM 11 CA SER A 1B 17.363 -2.060 -9.358 1.00 0.00 C ATOM 12 C SER A 1B 16.585 -2.999 -8.420 1.00 0.00 C ATOM 13 O SER A 1B 16.523 -4.191 -8.653 1.00 0.00 O ATOM 14 CB SER A 1B 16.553 -1.813 -10.657 1.00 0.00 C ATOM 15 OG SER A 1B 16.181 -0.439 -10.621 1.00 0.00 O ATOM 0 H SER A 1B 18.798 -2.868 -10.716 1.00 0.00 H new ATOM 0 HA SER A 1B 17.522 -1.118 -8.833 1.00 0.00 H new ATOM 0 HB2 SER A 1B 17.152 -2.034 -11.540 1.00 0.00 H new ATOM 0 HB3 SER A 1B 15.674 -2.456 -10.699 1.00 0.00 H new ATOM 0 HG SER A 1B 15.663 -0.219 -11.424 1.00 0.00 H new ATOM 21 N MET A 1C 16.018 -2.417 -7.390 1.00 0.00 N ATOM 22 CA MET A 1C 15.176 -3.185 -6.411 1.00 0.00 C ATOM 23 C MET A 1C 14.067 -3.987 -7.118 1.00 0.00 C ATOM 24 O MET A 1C 13.625 -5.003 -6.619 1.00 0.00 O ATOM 25 CB MET A 1C 14.539 -2.186 -5.406 1.00 0.00 C ATOM 26 CG MET A 1C 15.147 -2.378 -4.004 1.00 0.00 C ATOM 27 SD MET A 1C 14.878 -3.976 -3.192 1.00 0.00 S ATOM 28 CE MET A 1C 13.508 -3.532 -2.091 1.00 0.00 C ATOM 0 H MET A 1C 16.104 -1.422 -7.181 1.00 0.00 H new ATOM 0 HA MET A 1C 15.816 -3.897 -5.890 1.00 0.00 H new ATOM 0 HB2 MET A 1C 14.705 -1.163 -5.745 1.00 0.00 H new ATOM 0 HB3 MET A 1C 13.460 -2.338 -5.366 1.00 0.00 H new ATOM 0 HG2 MET A 1C 16.222 -2.214 -4.077 1.00 0.00 H new ATOM 0 HG3 MET A 1C 14.749 -1.598 -3.354 1.00 0.00 H new ATOM 0 HE1 MET A 1C 13.211 -4.405 -1.510 1.00 0.00 H new ATOM 0 HE2 MET A 1C 13.826 -2.738 -1.416 1.00 0.00 H new ATOM 0 HE3 MET A 1C 12.662 -3.186 -2.684 1.00 0.00 H new ATOM 38 N SER A 2 13.658 -3.491 -8.259 1.00 0.00 N ATOM 39 CA SER A 2 12.653 -4.200 -9.109 1.00 0.00 C ATOM 40 C SER A 2 12.791 -3.709 -10.559 1.00 0.00 C ATOM 41 O SER A 2 13.003 -2.535 -10.790 1.00 0.00 O ATOM 42 CB SER A 2 11.234 -3.896 -8.577 1.00 0.00 C ATOM 43 OG SER A 2 11.127 -2.477 -8.591 1.00 0.00 O ATOM 0 H SER A 2 13.986 -2.605 -8.645 1.00 0.00 H new ATOM 0 HA SER A 2 12.823 -5.276 -9.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.471 -4.355 -9.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.098 -4.291 -7.570 1.00 0.00 H new ATOM 0 HG SER A 2 10.242 -2.212 -8.264 1.00 0.00 H new ATOM 49 N ALA A 3 12.664 -4.621 -11.490 1.00 0.00 N ATOM 50 CA ALA A 3 12.589 -4.237 -12.938 1.00 0.00 C ATOM 51 C ALA A 3 11.299 -3.452 -13.249 1.00 0.00 C ATOM 52 O ALA A 3 10.484 -3.222 -12.375 1.00 0.00 O ATOM 53 CB ALA A 3 12.652 -5.531 -13.789 1.00 0.00 C ATOM 0 H ALA A 3 12.608 -5.623 -11.310 1.00 0.00 H new ATOM 0 HA ALA A 3 13.427 -3.583 -13.179 1.00 0.00 H new ATOM 0 HB1 ALA A 3 12.599 -5.274 -14.847 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.588 -6.053 -13.589 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.814 -6.178 -13.530 1.00 0.00 H new ATOM 59 N GLU A 4 11.159 -3.061 -14.494 1.00 0.00 N ATOM 60 CA GLU A 4 9.903 -2.385 -14.968 1.00 0.00 C ATOM 61 C GLU A 4 8.634 -3.188 -14.628 1.00 0.00 C ATOM 62 O GLU A 4 7.572 -2.620 -14.452 1.00 0.00 O ATOM 63 CB GLU A 4 9.988 -2.178 -16.503 1.00 0.00 C ATOM 64 CG GLU A 4 10.303 -3.508 -17.239 1.00 0.00 C ATOM 65 CD GLU A 4 11.711 -3.433 -17.861 1.00 0.00 C ATOM 66 OE1 GLU A 4 12.641 -3.744 -17.131 1.00 0.00 O ATOM 67 OE2 GLU A 4 11.777 -3.070 -19.026 1.00 0.00 O ATOM 0 H GLU A 4 11.871 -3.183 -15.214 1.00 0.00 H new ATOM 0 HA GLU A 4 9.827 -1.429 -14.451 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.045 -1.773 -16.869 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.761 -1.443 -16.730 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.247 -4.344 -16.541 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.560 -3.690 -18.016 1.00 0.00 H new ATOM 74 N GLY A 5 8.805 -4.485 -14.548 1.00 0.00 N ATOM 75 CA GLY A 5 7.686 -5.415 -14.205 1.00 0.00 C ATOM 76 C GLY A 5 6.451 -5.210 -15.092 1.00 0.00 C ATOM 77 O GLY A 5 6.556 -5.116 -16.301 1.00 0.00 O ATOM 0 H GLY A 5 9.699 -4.949 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.032 -6.444 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.406 -5.271 -13.161 1.00 0.00 H new ATOM 81 N TYR A 6 5.318 -5.152 -14.438 1.00 0.00 N ATOM 82 CA TYR A 6 4.051 -4.704 -15.103 1.00 0.00 C ATOM 83 C TYR A 6 3.802 -3.221 -14.796 1.00 0.00 C ATOM 84 O TYR A 6 4.333 -2.697 -13.834 1.00 0.00 O ATOM 85 CB TYR A 6 2.846 -5.548 -14.583 1.00 0.00 C ATOM 86 CG TYR A 6 3.283 -6.893 -13.958 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.073 -7.789 -14.657 1.00 0.00 C ATOM 88 CD2 TYR A 6 2.875 -7.224 -12.678 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.441 -8.986 -14.081 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.244 -8.421 -12.105 1.00 0.00 C ATOM 91 CZ TYR A 6 4.031 -9.312 -12.805 1.00 0.00 C ATOM 92 OH TYR A 6 4.396 -10.516 -12.239 1.00 0.00 O ATOM 0 H TYR A 6 5.214 -5.400 -13.454 1.00 0.00 H new ATOM 0 HA TYR A 6 4.150 -4.844 -16.180 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.296 -4.969 -13.841 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.161 -5.741 -15.408 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.402 -7.549 -15.657 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.259 -6.534 -12.120 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.058 -9.677 -14.636 1.00 0.00 H new ATOM 0 HE2 TYR A 6 2.916 -8.663 -11.105 1.00 0.00 H new ATOM 0 HH TYR A 6 4.021 -10.580 -11.336 1.00 0.00 H new ATOM 102 N GLN A 7 2.999 -2.594 -15.623 1.00 0.00 N ATOM 103 CA GLN A 7 2.693 -1.137 -15.446 1.00 0.00 C ATOM 104 C GLN A 7 1.189 -0.854 -15.586 1.00 0.00 C ATOM 105 O GLN A 7 0.450 -1.627 -16.169 1.00 0.00 O ATOM 106 CB GLN A 7 3.472 -0.335 -16.502 1.00 0.00 C ATOM 107 CG GLN A 7 4.917 -0.114 -16.033 1.00 0.00 C ATOM 108 CD GLN A 7 5.754 0.395 -17.212 1.00 0.00 C ATOM 109 OE1 GLN A 7 5.971 1.579 -17.373 1.00 0.00 O ATOM 110 NE2 GLN A 7 6.241 -0.469 -18.059 1.00 0.00 N ATOM 0 H GLN A 7 2.538 -3.033 -16.420 1.00 0.00 H new ATOM 0 HA GLN A 7 2.994 -0.839 -14.442 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.467 -0.869 -17.452 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.986 0.625 -16.673 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.941 0.607 -15.216 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.335 -1.045 -15.649 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.063 -1.465 -17.930 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.800 -0.149 -18.850 1.00 0.00 H new ATOM 119 N TYR A 8 0.803 0.269 -15.029 1.00 0.00 N ATOM 120 CA TYR A 8 -0.627 0.712 -15.044 1.00 0.00 C ATOM 121 C TYR A 8 -0.675 2.221 -15.325 1.00 0.00 C ATOM 122 O TYR A 8 0.121 2.970 -14.794 1.00 0.00 O ATOM 123 CB TYR A 8 -1.290 0.427 -13.669 1.00 0.00 C ATOM 124 CG TYR A 8 -1.278 -1.079 -13.356 1.00 0.00 C ATOM 125 CD1 TYR A 8 -0.095 -1.702 -13.022 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.433 -1.835 -13.408 1.00 0.00 C ATOM 127 CE1 TYR A 8 -0.061 -3.046 -12.746 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.399 -3.189 -13.131 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.208 -3.805 -12.797 1.00 0.00 C ATOM 130 OH TYR A 8 -1.152 -5.154 -12.511 1.00 0.00 O ATOM 0 H TYR A 8 1.436 0.912 -14.553 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.167 0.166 -15.818 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.760 0.970 -12.886 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.316 0.794 -13.673 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.817 -1.125 -12.977 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.370 -1.365 -13.667 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.877 -3.514 -12.486 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.309 -3.769 -13.176 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.048 -5.543 -12.592 1.00 0.00 H new ATOM 140 N ARG A 9 -1.614 2.612 -16.149 1.00 0.00 N ATOM 141 CA ARG A 9 -1.909 4.063 -16.370 1.00 0.00 C ATOM 142 C ARG A 9 -3.049 4.511 -15.445 1.00 0.00 C ATOM 143 O ARG A 9 -4.133 3.965 -15.488 1.00 0.00 O ATOM 144 CB ARG A 9 -2.308 4.267 -17.858 1.00 0.00 C ATOM 145 CG ARG A 9 -1.159 4.986 -18.601 1.00 0.00 C ATOM 146 CD ARG A 9 -1.558 5.246 -20.068 1.00 0.00 C ATOM 147 NE ARG A 9 -1.992 6.672 -20.196 1.00 0.00 N ATOM 148 CZ ARG A 9 -3.121 6.972 -20.780 1.00 0.00 C ATOM 149 NH1 ARG A 9 -4.234 6.488 -20.300 1.00 0.00 N ATOM 150 NH2 ARG A 9 -3.099 7.749 -21.827 1.00 0.00 N ATOM 0 H ARG A 9 -2.200 1.975 -16.689 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.028 4.663 -16.142 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.513 3.305 -18.327 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.223 4.855 -17.924 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.929 5.929 -18.106 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.255 4.378 -18.564 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.716 5.045 -20.731 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.365 4.576 -20.366 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.401 7.416 -19.824 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.215 5.884 -19.479 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -5.123 6.714 -20.746 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.211 8.110 -22.175 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.970 7.995 -22.298 1.00 0.00 H new ATOM 164 N ALA A 10 -2.755 5.498 -14.634 1.00 0.00 N ATOM 165 CA ALA A 10 -3.832 6.218 -13.884 1.00 0.00 C ATOM 166 C ALA A 10 -4.881 6.799 -14.853 1.00 0.00 C ATOM 167 O ALA A 10 -4.553 7.608 -15.700 1.00 0.00 O ATOM 168 CB ALA A 10 -3.197 7.354 -13.064 1.00 0.00 C ATOM 0 H ALA A 10 -1.809 5.838 -14.458 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.334 5.513 -13.221 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.974 7.884 -12.514 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.476 6.936 -12.361 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.690 8.047 -13.735 1.00 0.00 H new ATOM 174 N LEU A 11 -6.110 6.367 -14.699 1.00 0.00 N ATOM 175 CA LEU A 11 -7.214 6.852 -15.590 1.00 0.00 C ATOM 176 C LEU A 11 -7.578 8.300 -15.230 1.00 0.00 C ATOM 177 O LEU A 11 -7.511 9.178 -16.069 1.00 0.00 O ATOM 178 CB LEU A 11 -8.446 5.937 -15.409 1.00 0.00 C ATOM 179 CG LEU A 11 -9.358 5.985 -16.663 1.00 0.00 C ATOM 180 CD1 LEU A 11 -8.858 4.949 -17.716 1.00 0.00 C ATOM 181 CD2 LEU A 11 -10.828 5.676 -16.246 1.00 0.00 C ATOM 0 H LEU A 11 -6.398 5.694 -13.989 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.887 6.822 -16.629 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.120 4.912 -15.230 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.011 6.250 -14.531 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.320 6.979 -17.109 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.501 4.985 -18.596 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.834 5.188 -18.004 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.889 3.948 -17.285 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.470 5.709 -17.126 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.878 4.684 -15.797 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.165 6.419 -15.523 1.00 0.00 H new ATOM 193 N TYR A 12 -7.950 8.490 -13.989 1.00 0.00 N ATOM 194 CA TYR A 12 -8.356 9.840 -13.489 1.00 0.00 C ATOM 195 C TYR A 12 -7.376 10.314 -12.413 1.00 0.00 C ATOM 196 O TYR A 12 -6.707 9.514 -11.788 1.00 0.00 O ATOM 197 CB TYR A 12 -9.788 9.744 -12.913 1.00 0.00 C ATOM 198 CG TYR A 12 -10.708 10.665 -13.725 1.00 0.00 C ATOM 199 CD1 TYR A 12 -11.294 10.214 -14.892 1.00 0.00 C ATOM 200 CD2 TYR A 12 -10.957 11.957 -13.304 1.00 0.00 C ATOM 201 CE1 TYR A 12 -12.116 11.041 -15.627 1.00 0.00 C ATOM 202 CE2 TYR A 12 -11.778 12.785 -14.039 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.363 12.333 -15.205 1.00 0.00 C ATOM 204 OH TYR A 12 -13.187 13.159 -15.944 1.00 0.00 O ATOM 0 H TYR A 12 -7.990 7.751 -13.287 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.340 10.562 -14.306 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.146 8.716 -12.960 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.793 10.036 -11.863 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -11.107 9.206 -15.231 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.505 12.321 -12.393 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.569 10.677 -16.537 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.965 13.794 -13.701 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.254 14.032 -15.505 1.00 0.00 H new ATOM 214 N ASP A 13 -7.322 11.611 -12.234 1.00 0.00 N ATOM 215 CA ASP A 13 -6.512 12.196 -11.120 1.00 0.00 C ATOM 216 C ASP A 13 -7.131 11.813 -9.761 1.00 0.00 C ATOM 217 O ASP A 13 -8.329 11.912 -9.579 1.00 0.00 O ATOM 218 CB ASP A 13 -6.468 13.748 -11.325 1.00 0.00 C ATOM 219 CG ASP A 13 -6.765 14.513 -10.016 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.865 14.540 -9.189 1.00 0.00 O ATOM 221 OD2 ASP A 13 -7.870 15.022 -9.919 1.00 0.00 O ATOM 0 H ASP A 13 -7.807 12.294 -12.816 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.495 11.805 -11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.486 14.037 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.195 14.034 -12.085 1.00 0.00 H new ATOM 226 N TYR A 14 -6.278 11.393 -8.859 1.00 0.00 N ATOM 227 CA TYR A 14 -6.700 11.098 -7.455 1.00 0.00 C ATOM 228 C TYR A 14 -5.724 11.748 -6.459 1.00 0.00 C ATOM 229 O TYR A 14 -4.528 11.562 -6.559 1.00 0.00 O ATOM 230 CB TYR A 14 -6.724 9.566 -7.295 1.00 0.00 C ATOM 231 CG TYR A 14 -6.738 9.136 -5.814 1.00 0.00 C ATOM 232 CD1 TYR A 14 -7.825 9.402 -5.003 1.00 0.00 C ATOM 233 CD2 TYR A 14 -5.653 8.472 -5.276 1.00 0.00 C ATOM 234 CE1 TYR A 14 -7.827 9.010 -3.680 1.00 0.00 C ATOM 235 CE2 TYR A 14 -5.654 8.080 -3.956 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.740 8.345 -3.145 1.00 0.00 C ATOM 237 OH TYR A 14 -6.735 7.948 -1.823 1.00 0.00 O ATOM 0 H TYR A 14 -5.286 11.239 -9.042 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.688 11.509 -7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.604 9.164 -7.797 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.852 9.137 -7.788 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.681 9.921 -5.408 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.795 8.258 -5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.684 9.224 -3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.798 7.561 -3.551 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.890 7.494 -1.621 1.00 0.00 H new ATOM 247 N LYS A 15 -6.262 12.487 -5.523 1.00 0.00 N ATOM 248 CA LYS A 15 -5.405 13.123 -4.471 1.00 0.00 C ATOM 249 C LYS A 15 -5.257 12.169 -3.280 1.00 0.00 C ATOM 250 O LYS A 15 -5.959 11.181 -3.191 1.00 0.00 O ATOM 251 CB LYS A 15 -6.068 14.453 -4.020 1.00 0.00 C ATOM 252 CG LYS A 15 -5.089 15.614 -4.277 1.00 0.00 C ATOM 253 CD LYS A 15 -5.703 16.959 -3.804 1.00 0.00 C ATOM 254 CE LYS A 15 -5.306 18.094 -4.770 1.00 0.00 C ATOM 255 NZ LYS A 15 -3.835 18.081 -5.021 1.00 0.00 N ATOM 0 H LYS A 15 -7.260 12.679 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.413 13.332 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.996 14.615 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.326 14.405 -2.962 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.152 15.430 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.852 15.669 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.789 16.875 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.357 17.191 -2.797 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.842 17.981 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.600 19.056 -4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.524 19.030 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.337 17.805 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.618 17.399 -5.775 1.00 0.00 H new ATOM 269 N LYS A 16 -4.347 12.493 -2.398 1.00 0.00 N ATOM 270 CA LYS A 16 -4.165 11.670 -1.158 1.00 0.00 C ATOM 271 C LYS A 16 -5.071 12.188 -0.039 1.00 0.00 C ATOM 272 O LYS A 16 -5.319 13.374 0.067 1.00 0.00 O ATOM 273 CB LYS A 16 -2.691 11.737 -0.688 1.00 0.00 C ATOM 274 CG LYS A 16 -2.175 13.199 -0.658 1.00 0.00 C ATOM 275 CD LYS A 16 -1.523 13.497 0.708 1.00 0.00 C ATOM 276 CE LYS A 16 -1.139 14.993 0.789 1.00 0.00 C ATOM 277 NZ LYS A 16 -2.022 15.699 1.762 1.00 0.00 N ATOM 0 H LYS A 16 -3.720 13.293 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.429 10.638 -1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.604 11.298 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.067 11.142 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.451 13.355 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.000 13.889 -0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.213 13.245 1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.637 12.877 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.097 15.093 1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.229 15.453 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.755 16.703 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.012 15.618 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.915 15.269 2.703 1.00 0.00 H new ATOM 291 N GLU A 17 -5.532 11.259 0.758 1.00 0.00 N ATOM 292 CA GLU A 17 -6.334 11.586 1.978 1.00 0.00 C ATOM 293 C GLU A 17 -5.647 10.986 3.221 1.00 0.00 C ATOM 294 O GLU A 17 -6.094 11.185 4.335 1.00 0.00 O ATOM 295 CB GLU A 17 -7.752 11.002 1.771 1.00 0.00 C ATOM 296 CG GLU A 17 -8.751 11.547 2.821 1.00 0.00 C ATOM 297 CD GLU A 17 -9.276 10.377 3.680 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.185 9.716 3.203 1.00 0.00 O ATOM 299 OE2 GLU A 17 -8.739 10.209 4.763 1.00 0.00 O ATOM 0 H GLU A 17 -5.382 10.261 0.611 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.405 12.662 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.105 11.248 0.770 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.712 9.915 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.263 12.288 3.454 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.581 12.050 2.324 1.00 0.00 H new ATOM 306 N ARG A 18 -4.577 10.267 2.983 1.00 0.00 N ATOM 307 CA ARG A 18 -3.820 9.587 4.080 1.00 0.00 C ATOM 308 C ARG A 18 -2.324 9.640 3.761 1.00 0.00 C ATOM 309 O ARG A 18 -1.929 9.558 2.613 1.00 0.00 O ATOM 310 CB ARG A 18 -4.285 8.119 4.182 1.00 0.00 C ATOM 311 CG ARG A 18 -4.078 7.586 5.622 1.00 0.00 C ATOM 312 CD ARG A 18 -5.345 7.829 6.462 1.00 0.00 C ATOM 313 NE ARG A 18 -5.086 7.335 7.848 1.00 0.00 N ATOM 314 CZ ARG A 18 -6.062 7.264 8.715 1.00 0.00 C ATOM 315 NH1 ARG A 18 -7.101 6.520 8.450 1.00 0.00 N ATOM 316 NH2 ARG A 18 -5.969 7.945 9.825 1.00 0.00 N ATOM 0 H ARG A 18 -4.188 10.120 2.052 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.005 10.088 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.337 8.044 3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.727 7.504 3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.849 6.521 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.225 8.084 6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.594 8.890 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.197 7.308 6.025 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.144 7.052 8.119 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.146 6.001 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.868 6.458 9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.145 8.519 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.720 7.903 10.514 1.00 0.00 H new ATOM 330 N GLU A 19 -1.541 9.771 4.802 1.00 0.00 N ATOM 331 CA GLU A 19 -0.050 9.680 4.680 1.00 0.00 C ATOM 332 C GLU A 19 0.429 8.369 4.027 1.00 0.00 C ATOM 333 O GLU A 19 1.568 8.262 3.613 1.00 0.00 O ATOM 334 CB GLU A 19 0.570 9.817 6.089 1.00 0.00 C ATOM 335 CG GLU A 19 -0.010 8.734 7.045 1.00 0.00 C ATOM 336 CD GLU A 19 -0.793 9.408 8.189 1.00 0.00 C ATOM 337 OE1 GLU A 19 -1.834 9.967 7.876 1.00 0.00 O ATOM 338 OE2 GLU A 19 -0.313 9.327 9.309 1.00 0.00 O ATOM 0 H GLU A 19 -1.877 9.940 5.750 1.00 0.00 H new ATOM 0 HA GLU A 19 0.276 10.488 4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.653 9.715 6.028 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.366 10.811 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.665 8.061 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.798 8.127 7.454 1.00 0.00 H new ATOM 345 N GLU A 20 -0.466 7.417 3.961 1.00 0.00 N ATOM 346 CA GLU A 20 -0.170 6.117 3.284 1.00 0.00 C ATOM 347 C GLU A 20 -0.176 6.290 1.758 1.00 0.00 C ATOM 348 O GLU A 20 0.716 5.821 1.080 1.00 0.00 O ATOM 349 CB GLU A 20 -1.238 5.086 3.707 1.00 0.00 C ATOM 350 CG GLU A 20 -0.967 3.730 3.020 1.00 0.00 C ATOM 351 CD GLU A 20 -1.760 2.615 3.730 1.00 0.00 C ATOM 352 OE1 GLU A 20 -1.354 2.269 4.828 1.00 0.00 O ATOM 353 OE2 GLU A 20 -2.730 2.171 3.134 1.00 0.00 O ATOM 0 H GLU A 20 -1.405 7.486 4.354 1.00 0.00 H new ATOM 0 HA GLU A 20 0.820 5.769 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.227 4.963 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.230 5.447 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.254 3.781 1.970 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.099 3.505 3.048 1.00 0.00 H new ATOM 360 N ASP A 21 -1.189 6.962 1.274 1.00 0.00 N ATOM 361 CA ASP A 21 -1.356 7.130 -0.203 1.00 0.00 C ATOM 362 C ASP A 21 -0.578 8.356 -0.678 1.00 0.00 C ATOM 363 O ASP A 21 -0.370 9.290 0.075 1.00 0.00 O ATOM 364 CB ASP A 21 -2.854 7.301 -0.514 1.00 0.00 C ATOM 365 CG ASP A 21 -3.424 5.943 -0.949 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.479 5.077 -0.090 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.767 5.850 -2.117 1.00 0.00 O ATOM 0 H ASP A 21 -1.912 7.404 1.841 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.970 6.253 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.383 7.669 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.994 8.040 -1.303 1.00 0.00 H new ATOM 372 N ILE A 22 -0.172 8.302 -1.921 1.00 0.00 N ATOM 373 CA ILE A 22 0.550 9.457 -2.547 1.00 0.00 C ATOM 374 C ILE A 22 -0.427 10.273 -3.396 1.00 0.00 C ATOM 375 O ILE A 22 -1.624 10.073 -3.362 1.00 0.00 O ATOM 376 CB ILE A 22 1.732 8.958 -3.478 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.989 7.442 -3.321 1.00 0.00 C ATOM 378 CG2 ILE A 22 3.026 9.769 -3.164 1.00 0.00 C ATOM 379 CD1 ILE A 22 3.132 6.989 -4.250 1.00 0.00 C ATOM 0 H ILE A 22 -0.310 7.501 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 22 0.964 10.068 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 22 1.440 9.128 -4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.243 7.216 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.081 6.887 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.837 9.424 -3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.845 10.828 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.302 9.623 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.299 5.919 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.863 7.197 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.043 7.530 -3.996 1.00 0.00 H new ATOM 391 N ASP A 23 0.156 11.178 -4.137 1.00 0.00 N ATOM 392 CA ASP A 23 -0.625 12.057 -5.059 1.00 0.00 C ATOM 393 C ASP A 23 -0.612 11.436 -6.458 1.00 0.00 C ATOM 394 O ASP A 23 0.389 11.464 -7.148 1.00 0.00 O ATOM 395 CB ASP A 23 0.026 13.455 -5.063 1.00 0.00 C ATOM 396 CG ASP A 23 -0.273 14.134 -3.714 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.314 14.771 -3.644 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.554 13.977 -2.830 1.00 0.00 O ATOM 0 H ASP A 23 1.162 11.349 -4.142 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.661 12.152 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.102 13.372 -5.215 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.367 14.054 -5.884 1.00 0.00 H new ATOM 403 N LEU A 24 -1.737 10.881 -6.838 1.00 0.00 N ATOM 404 CA LEU A 24 -1.936 10.381 -8.216 1.00 0.00 C ATOM 405 C LEU A 24 -2.487 11.458 -9.162 1.00 0.00 C ATOM 406 O LEU A 24 -3.295 12.281 -8.774 1.00 0.00 O ATOM 407 CB LEU A 24 -2.877 9.227 -8.101 1.00 0.00 C ATOM 408 CG LEU A 24 -2.169 8.027 -7.434 1.00 0.00 C ATOM 409 CD1 LEU A 24 -1.142 7.358 -8.383 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.566 8.272 -6.022 1.00 0.00 C ATOM 0 H LEU A 24 -2.543 10.755 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.983 10.084 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.749 9.516 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.238 8.942 -9.089 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.987 7.332 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.668 6.519 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.653 6.998 -9.276 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.382 8.086 -8.668 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.098 7.356 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.819 9.064 -6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.358 8.569 -5.335 1.00 0.00 H new ATOM 422 N HIS A 25 -2.021 11.420 -10.386 1.00 0.00 N ATOM 423 CA HIS A 25 -2.462 12.424 -11.412 1.00 0.00 C ATOM 424 C HIS A 25 -2.762 11.700 -12.730 1.00 0.00 C ATOM 425 O HIS A 25 -2.750 10.485 -12.791 1.00 0.00 O ATOM 426 CB HIS A 25 -1.346 13.491 -11.657 1.00 0.00 C ATOM 427 CG HIS A 25 -0.218 13.374 -10.639 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.168 13.991 -9.504 1.00 0.00 N ATOM 429 CD2 HIS A 25 0.946 12.629 -10.680 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.921 13.671 -8.886 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.644 12.823 -9.577 1.00 0.00 N ATOM 0 H HIS A 25 -1.348 10.732 -10.724 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.356 12.929 -11.045 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.942 13.370 -12.662 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.780 14.489 -11.605 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -0.879 14.632 -9.151 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.240 11.984 -11.494 1.00 0.00 H new ATOM 0 HE1 HIS A 25 1.202 14.056 -7.917 1.00 0.00 H new ATOM 439 N LEU A 26 -3.023 12.480 -13.747 1.00 0.00 N ATOM 440 CA LEU A 26 -3.296 11.925 -15.109 1.00 0.00 C ATOM 441 C LEU A 26 -1.987 11.514 -15.811 1.00 0.00 C ATOM 442 O LEU A 26 -0.946 12.087 -15.552 1.00 0.00 O ATOM 443 CB LEU A 26 -4.037 13.014 -15.914 1.00 0.00 C ATOM 444 CG LEU A 26 -5.448 13.252 -15.277 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.844 14.756 -15.355 1.00 0.00 C ATOM 446 CD2 LEU A 26 -6.510 12.366 -15.989 1.00 0.00 C ATOM 0 H LEU A 26 -3.059 13.498 -13.691 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.908 11.026 -15.035 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.462 13.940 -15.911 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.141 12.707 -16.955 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.406 12.971 -14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.827 14.897 -14.907 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.110 15.354 -14.815 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.872 15.071 -16.398 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.488 12.538 -15.539 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.547 12.622 -17.048 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.240 11.316 -15.879 1.00 0.00 H new ATOM 458 N GLY A 27 -2.075 10.531 -16.676 1.00 0.00 N ATOM 459 CA GLY A 27 -0.868 10.017 -17.416 1.00 0.00 C ATOM 460 C GLY A 27 0.195 9.382 -16.497 1.00 0.00 C ATOM 461 O GLY A 27 1.192 8.871 -16.966 1.00 0.00 O ATOM 0 H GLY A 27 -2.946 10.053 -16.907 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.190 9.278 -18.150 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.414 10.839 -17.969 1.00 0.00 H new ATOM 465 N ASP A 28 -0.062 9.441 -15.213 1.00 0.00 N ATOM 466 CA ASP A 28 0.890 8.931 -14.181 1.00 0.00 C ATOM 467 C ASP A 28 1.003 7.402 -14.282 1.00 0.00 C ATOM 468 O ASP A 28 0.024 6.711 -14.070 1.00 0.00 O ATOM 469 CB ASP A 28 0.343 9.375 -12.809 1.00 0.00 C ATOM 470 CG ASP A 28 1.374 9.180 -11.683 1.00 0.00 C ATOM 471 OD1 ASP A 28 2.466 9.696 -11.838 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.008 8.528 -10.722 1.00 0.00 O ATOM 0 H ASP A 28 -0.920 9.835 -14.828 1.00 0.00 H new ATOM 0 HA ASP A 28 1.894 9.331 -14.326 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.054 10.425 -12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.558 8.807 -12.577 1.00 0.00 H new ATOM 477 N ILE A 29 2.179 6.916 -14.604 1.00 0.00 N ATOM 478 CA ILE A 29 2.372 5.436 -14.722 1.00 0.00 C ATOM 479 C ILE A 29 3.076 4.902 -13.483 1.00 0.00 C ATOM 480 O ILE A 29 3.998 5.499 -12.964 1.00 0.00 O ATOM 481 CB ILE A 29 3.196 5.138 -16.032 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.125 4.881 -17.114 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.115 3.861 -15.927 1.00 0.00 C ATOM 484 CD1 ILE A 29 2.725 4.875 -18.530 1.00 0.00 C ATOM 0 H ILE A 29 3.010 7.478 -14.789 1.00 0.00 H new ATOM 0 HA ILE A 29 1.408 4.931 -14.792 1.00 0.00 H new ATOM 0 HB ILE A 29 3.867 5.971 -16.241 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.639 3.924 -16.922 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.354 5.649 -17.050 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.651 3.720 -16.866 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.832 3.994 -15.117 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.499 2.985 -15.726 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.936 4.691 -19.259 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.188 5.841 -18.733 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.477 4.089 -18.603 1.00 0.00 H new ATOM 496 N LEU A 30 2.584 3.762 -13.069 1.00 0.00 N ATOM 497 CA LEU A 30 3.121 3.062 -11.869 1.00 0.00 C ATOM 498 C LEU A 30 3.692 1.699 -12.285 1.00 0.00 C ATOM 499 O LEU A 30 3.380 1.202 -13.350 1.00 0.00 O ATOM 500 CB LEU A 30 1.977 2.869 -10.855 1.00 0.00 C ATOM 501 CG LEU A 30 1.792 4.107 -9.934 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.557 5.389 -10.771 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.549 3.866 -9.050 1.00 0.00 C ATOM 0 H LEU A 30 1.812 3.277 -13.527 1.00 0.00 H new ATOM 0 HA LEU A 30 3.916 3.653 -11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.048 2.675 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.181 1.990 -10.243 1.00 0.00 H new ATOM 0 HG LEU A 30 2.691 4.241 -9.332 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.430 6.241 -10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.415 5.561 -11.421 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.660 5.268 -11.378 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.398 4.723 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.328 3.735 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.699 2.970 -8.448 1.00 0.00 H new ATOM 515 N THR A 31 4.508 1.140 -11.426 1.00 0.00 N ATOM 516 CA THR A 31 5.221 -0.147 -11.728 1.00 0.00 C ATOM 517 C THR A 31 5.118 -1.075 -10.497 1.00 0.00 C ATOM 518 O THR A 31 5.091 -0.597 -9.379 1.00 0.00 O ATOM 519 CB THR A 31 6.700 0.221 -12.070 1.00 0.00 C ATOM 520 OG1 THR A 31 6.729 0.381 -13.484 1.00 0.00 O ATOM 521 CG2 THR A 31 7.720 -0.909 -11.782 1.00 0.00 C ATOM 0 H THR A 31 4.716 1.529 -10.506 1.00 0.00 H new ATOM 0 HA THR A 31 4.782 -0.680 -12.572 1.00 0.00 H new ATOM 0 HB THR A 31 6.973 1.089 -11.470 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.977 -0.469 -13.904 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.722 -0.571 -12.047 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.692 -1.164 -10.723 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.465 -1.788 -12.373 1.00 0.00 H new ATOM 529 N VAL A 32 5.066 -2.367 -10.736 1.00 0.00 N ATOM 530 CA VAL A 32 4.992 -3.375 -9.615 1.00 0.00 C ATOM 531 C VAL A 32 6.185 -4.345 -9.705 1.00 0.00 C ATOM 532 O VAL A 32 7.113 -4.123 -10.459 1.00 0.00 O ATOM 533 CB VAL A 32 3.643 -4.211 -9.698 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.116 -4.525 -8.259 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.546 -3.488 -10.526 1.00 0.00 C ATOM 0 H VAL A 32 5.072 -2.775 -11.671 1.00 0.00 H new ATOM 0 HA VAL A 32 5.020 -2.834 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 32 3.872 -5.143 -10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.191 -5.098 -8.327 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.863 -5.104 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.926 -3.591 -7.729 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.646 -4.102 -10.551 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.317 -2.527 -10.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.904 -3.327 -11.543 1.00 0.00 H new ATOM 545 N ASN A 33 6.117 -5.396 -8.924 1.00 0.00 N ATOM 546 CA ASN A 33 7.183 -6.445 -8.928 1.00 0.00 C ATOM 547 C ASN A 33 6.742 -7.645 -9.764 1.00 0.00 C ATOM 548 O ASN A 33 5.612 -8.084 -9.675 1.00 0.00 O ATOM 549 CB ASN A 33 7.452 -6.870 -7.474 1.00 0.00 C ATOM 550 CG ASN A 33 8.210 -5.726 -6.782 1.00 0.00 C ATOM 551 OD1 ASN A 33 7.601 -4.586 -6.586 1.00 0.00 O flip ATOM 552 ND2 ASN A 33 9.360 -5.862 -6.416 1.00 0.00 N flip ATOM 0 H ASN A 33 5.353 -5.573 -8.272 1.00 0.00 H new ATOM 0 HA ASN A 33 8.096 -6.047 -9.370 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.515 -7.075 -6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.039 -7.788 -7.447 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.841 -6.749 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.844 -5.089 -5.959 1.00 0.00 H new ATOM 559 N LYS A 34 7.669 -8.127 -10.553 1.00 0.00 N ATOM 560 CA LYS A 34 7.418 -9.335 -11.399 1.00 0.00 C ATOM 561 C LYS A 34 8.037 -10.580 -10.764 1.00 0.00 C ATOM 562 O LYS A 34 7.454 -11.647 -10.803 1.00 0.00 O ATOM 563 CB LYS A 34 8.019 -9.114 -12.813 1.00 0.00 C ATOM 564 CG LYS A 34 9.531 -8.755 -12.759 1.00 0.00 C ATOM 565 CD LYS A 34 10.388 -9.990 -13.131 1.00 0.00 C ATOM 566 CE LYS A 34 11.885 -9.679 -12.894 1.00 0.00 C ATOM 567 NZ LYS A 34 12.492 -10.715 -12.010 1.00 0.00 N ATOM 0 H LYS A 34 8.603 -7.729 -10.648 1.00 0.00 H new ATOM 0 HA LYS A 34 6.341 -9.487 -11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.883 -10.016 -13.409 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.475 -8.314 -13.316 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.742 -7.936 -13.447 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.794 -8.408 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.086 -10.848 -12.531 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.223 -10.257 -14.175 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.413 -9.649 -13.847 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.992 -8.694 -12.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.503 -10.812 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.383 -10.430 -11.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.014 -11.626 -12.164 1.00 0.00 H new ATOM 581 N GLY A 35 9.203 -10.398 -10.196 1.00 0.00 N ATOM 582 CA GLY A 35 9.924 -11.538 -9.554 1.00 0.00 C ATOM 583 C GLY A 35 9.419 -11.737 -8.125 1.00 0.00 C ATOM 584 O GLY A 35 9.802 -12.681 -7.461 1.00 0.00 O ATOM 0 H GLY A 35 9.689 -9.502 -10.150 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.770 -12.449 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.996 -11.343 -9.546 1.00 0.00 H new ATOM 588 N SER A 36 8.570 -10.832 -7.703 1.00 0.00 N ATOM 589 CA SER A 36 8.161 -10.735 -6.269 1.00 0.00 C ATOM 590 C SER A 36 6.816 -9.989 -6.193 1.00 0.00 C ATOM 591 O SER A 36 6.591 -9.196 -5.297 1.00 0.00 O ATOM 592 CB SER A 36 9.269 -9.975 -5.493 1.00 0.00 C ATOM 593 OG SER A 36 10.409 -10.820 -5.560 1.00 0.00 O ATOM 0 H SER A 36 8.133 -10.139 -8.310 1.00 0.00 H new ATOM 0 HA SER A 36 8.037 -11.722 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.471 -9.003 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.973 -9.792 -4.460 1.00 0.00 H new ATOM 0 HG SER A 36 11.157 -10.399 -5.087 1.00 0.00 H new ATOM 599 N LEU A 37 5.960 -10.273 -7.148 1.00 0.00 N ATOM 600 CA LEU A 37 4.547 -9.760 -7.115 1.00 0.00 C ATOM 601 C LEU A 37 3.814 -10.183 -5.819 1.00 0.00 C ATOM 602 O LEU A 37 2.953 -9.479 -5.326 1.00 0.00 O ATOM 603 CB LEU A 37 3.813 -10.299 -8.404 1.00 0.00 C ATOM 604 CG LEU A 37 2.992 -11.626 -8.195 1.00 0.00 C ATOM 605 CD1 LEU A 37 1.666 -11.324 -7.443 1.00 0.00 C ATOM 606 CD2 LEU A 37 2.663 -12.261 -9.582 1.00 0.00 C ATOM 0 H LEU A 37 6.182 -10.847 -7.961 1.00 0.00 H new ATOM 0 HA LEU A 37 4.546 -8.670 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.138 -9.525 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.556 -10.468 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 37 3.589 -12.320 -7.603 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.107 -12.250 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.891 -10.887 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.068 -10.623 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.095 -13.180 -9.436 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.074 -11.560 -10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.591 -12.488 -10.107 1.00 0.00 H new ATOM 618 N VAL A 38 4.206 -11.333 -5.332 1.00 0.00 N ATOM 619 CA VAL A 38 3.803 -11.878 -3.993 1.00 0.00 C ATOM 620 C VAL A 38 3.995 -10.886 -2.831 1.00 0.00 C ATOM 621 O VAL A 38 3.575 -11.143 -1.721 1.00 0.00 O ATOM 622 CB VAL A 38 4.624 -13.178 -3.725 1.00 0.00 C ATOM 623 CG1 VAL A 38 4.042 -13.916 -2.489 1.00 0.00 C ATOM 624 CG2 VAL A 38 4.595 -14.115 -4.978 1.00 0.00 C ATOM 0 H VAL A 38 4.831 -11.957 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 38 2.733 -12.081 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 38 5.661 -12.906 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.616 -14.824 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.099 -13.265 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.001 -14.178 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.173 -15.016 -4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.564 -14.389 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.028 -13.594 -5.832 1.00 0.00 H new ATOM 634 N ALA A 39 4.642 -9.794 -3.137 1.00 0.00 N ATOM 635 CA ALA A 39 4.757 -8.610 -2.226 1.00 0.00 C ATOM 636 C ALA A 39 3.478 -8.397 -1.404 1.00 0.00 C ATOM 637 O ALA A 39 3.532 -8.025 -0.249 1.00 0.00 O ATOM 638 CB ALA A 39 5.042 -7.360 -3.077 1.00 0.00 C ATOM 0 H ALA A 39 5.121 -9.667 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 39 5.571 -8.791 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.128 -6.489 -2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.974 -7.498 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.226 -7.206 -3.783 1.00 0.00 H new ATOM 644 N LEU A 40 2.367 -8.651 -2.049 1.00 0.00 N ATOM 645 CA LEU A 40 1.034 -8.466 -1.387 1.00 0.00 C ATOM 646 C LEU A 40 0.496 -9.778 -0.813 1.00 0.00 C ATOM 647 O LEU A 40 -0.280 -9.777 0.124 1.00 0.00 O ATOM 648 CB LEU A 40 0.040 -7.911 -2.421 1.00 0.00 C ATOM 649 CG LEU A 40 0.204 -6.372 -2.554 1.00 0.00 C ATOM 650 CD1 LEU A 40 1.624 -6.014 -3.079 1.00 0.00 C ATOM 651 CD2 LEU A 40 -0.863 -5.839 -3.534 1.00 0.00 C ATOM 0 H LEU A 40 2.324 -8.981 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 40 1.157 -7.770 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.207 -8.386 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.980 -8.150 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 40 0.076 -5.913 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.718 -4.931 -3.165 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.374 -6.389 -2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.776 -6.470 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.757 -4.759 -3.635 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.730 -6.309 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.857 -6.072 -3.152 1.00 0.00 H new ATOM 663 N GLY A 41 0.938 -10.850 -1.409 1.00 0.00 N ATOM 664 CA GLY A 41 0.463 -12.218 -1.031 1.00 0.00 C ATOM 665 C GLY A 41 -0.413 -12.817 -2.132 1.00 0.00 C ATOM 666 O GLY A 41 -1.148 -13.759 -1.906 1.00 0.00 O ATOM 0 H GLY A 41 1.626 -10.838 -2.162 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.320 -12.867 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.101 -12.167 -0.100 1.00 0.00 H new ATOM 670 N PHE A 42 -0.296 -12.236 -3.295 1.00 0.00 N ATOM 671 CA PHE A 42 -1.082 -12.682 -4.487 1.00 0.00 C ATOM 672 C PHE A 42 -0.632 -14.060 -4.997 1.00 0.00 C ATOM 673 O PHE A 42 0.338 -14.623 -4.526 1.00 0.00 O ATOM 674 CB PHE A 42 -0.911 -11.621 -5.594 1.00 0.00 C ATOM 675 CG PHE A 42 -2.173 -10.766 -5.742 1.00 0.00 C ATOM 676 CD1 PHE A 42 -2.703 -10.095 -4.656 1.00 0.00 C ATOM 677 CD2 PHE A 42 -2.792 -10.660 -6.974 1.00 0.00 C ATOM 678 CE1 PHE A 42 -3.837 -9.328 -4.800 1.00 0.00 C ATOM 679 CE2 PHE A 42 -3.925 -9.894 -7.121 1.00 0.00 C ATOM 680 CZ PHE A 42 -4.451 -9.226 -6.033 1.00 0.00 C ATOM 0 H PHE A 42 0.328 -11.449 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.129 -12.782 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.060 -10.981 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.688 -12.113 -6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.225 -10.173 -3.690 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.383 -11.182 -7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.247 -8.806 -3.948 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.403 -9.815 -8.086 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.341 -8.625 -6.146 1.00 0.00 H new ATOM 690 N SER A 43 -1.375 -14.549 -5.960 1.00 0.00 N ATOM 691 CA SER A 43 -1.112 -15.897 -6.557 1.00 0.00 C ATOM 692 C SER A 43 -1.343 -15.833 -8.072 1.00 0.00 C ATOM 693 O SER A 43 -1.437 -14.760 -8.635 1.00 0.00 O ATOM 694 CB SER A 43 -2.065 -16.914 -5.887 1.00 0.00 C ATOM 695 OG SER A 43 -1.541 -17.076 -4.576 1.00 0.00 O ATOM 0 H SER A 43 -2.172 -14.059 -6.367 1.00 0.00 H new ATOM 0 HA SER A 43 -0.081 -16.208 -6.387 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.090 -16.543 -5.863 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.082 -17.860 -6.428 1.00 0.00 H new ATOM 0 HG SER A 43 -2.096 -17.712 -4.078 1.00 0.00 H new ATOM 701 N ASP A 44 -1.427 -16.991 -8.680 1.00 0.00 N ATOM 702 CA ASP A 44 -1.766 -17.087 -10.131 1.00 0.00 C ATOM 703 C ASP A 44 -3.223 -16.629 -10.361 1.00 0.00 C ATOM 704 O ASP A 44 -4.136 -17.431 -10.384 1.00 0.00 O ATOM 705 CB ASP A 44 -1.563 -18.561 -10.567 1.00 0.00 C ATOM 706 CG ASP A 44 -1.490 -18.636 -12.104 1.00 0.00 C ATOM 707 OD1 ASP A 44 -2.555 -18.595 -12.700 1.00 0.00 O ATOM 708 OD2 ASP A 44 -0.375 -18.731 -12.595 1.00 0.00 O ATOM 0 H ASP A 44 -1.272 -17.889 -8.222 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.123 -16.439 -10.726 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.647 -18.958 -10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.385 -19.176 -10.201 1.00 0.00 H new ATOM 713 N GLY A 45 -3.380 -15.338 -10.524 1.00 0.00 N ATOM 714 CA GLY A 45 -4.707 -14.741 -10.847 1.00 0.00 C ATOM 715 C GLY A 45 -4.586 -13.996 -12.173 1.00 0.00 C ATOM 716 O GLY A 45 -4.379 -14.605 -13.204 1.00 0.00 O ATOM 0 H GLY A 45 -2.623 -14.659 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.467 -15.519 -10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.020 -14.060 -10.056 1.00 0.00 H new ATOM 720 N GLN A 46 -4.715 -12.696 -12.094 1.00 0.00 N ATOM 721 CA GLN A 46 -4.853 -11.836 -13.309 1.00 0.00 C ATOM 722 C GLN A 46 -4.419 -10.421 -12.910 1.00 0.00 C ATOM 723 O GLN A 46 -5.222 -9.596 -12.519 1.00 0.00 O ATOM 724 CB GLN A 46 -6.329 -11.812 -13.793 1.00 0.00 C ATOM 725 CG GLN A 46 -6.749 -13.185 -14.347 1.00 0.00 C ATOM 726 CD GLN A 46 -7.988 -13.021 -15.239 1.00 0.00 C ATOM 727 OE1 GLN A 46 -9.045 -12.616 -14.794 1.00 0.00 O ATOM 728 NE2 GLN A 46 -7.899 -13.324 -16.506 1.00 0.00 N ATOM 0 H GLN A 46 -4.731 -12.181 -11.214 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.239 -12.224 -14.122 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -6.982 -11.534 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.450 -11.052 -14.565 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.931 -13.624 -14.919 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.967 -13.869 -13.527 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.017 -13.664 -16.888 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.712 -13.220 -17.113 1.00 0.00 H new ATOM 737 N GLU A 47 -3.136 -10.191 -13.023 1.00 0.00 N ATOM 738 CA GLU A 47 -2.569 -8.838 -12.724 1.00 0.00 C ATOM 739 C GLU A 47 -3.076 -7.805 -13.746 1.00 0.00 C ATOM 740 O GLU A 47 -3.046 -6.613 -13.509 1.00 0.00 O ATOM 741 CB GLU A 47 -1.013 -8.928 -12.758 1.00 0.00 C ATOM 742 CG GLU A 47 -0.467 -10.213 -12.058 1.00 0.00 C ATOM 743 CD GLU A 47 -1.249 -10.549 -10.769 1.00 0.00 C ATOM 744 OE1 GLU A 47 -1.115 -9.776 -9.833 1.00 0.00 O ATOM 745 OE2 GLU A 47 -1.936 -11.559 -10.790 1.00 0.00 O ATOM 0 H GLU A 47 -2.450 -10.888 -13.312 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.893 -8.514 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.675 -8.912 -13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.592 -8.048 -12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.527 -11.055 -12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.587 -10.074 -11.816 1.00 0.00 H new ATOM 752 N ALA A 48 -3.538 -8.314 -14.857 1.00 0.00 N ATOM 753 CA ALA A 48 -4.071 -7.445 -15.954 1.00 0.00 C ATOM 754 C ALA A 48 -5.514 -6.983 -15.672 1.00 0.00 C ATOM 755 O ALA A 48 -6.096 -6.285 -16.479 1.00 0.00 O ATOM 756 CB ALA A 48 -4.013 -8.246 -17.273 1.00 0.00 C ATOM 0 H ALA A 48 -3.570 -9.314 -15.057 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.460 -6.545 -16.023 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.397 -7.633 -18.088 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.981 -8.525 -17.484 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.620 -9.146 -17.179 1.00 0.00 H new ATOM 762 N LYS A 49 -6.040 -7.383 -14.539 1.00 0.00 N ATOM 763 CA LYS A 49 -7.469 -7.104 -14.186 1.00 0.00 C ATOM 764 C LYS A 49 -7.509 -6.374 -12.822 1.00 0.00 C ATOM 765 O LYS A 49 -7.772 -6.993 -11.810 1.00 0.00 O ATOM 766 CB LYS A 49 -8.226 -8.464 -14.115 1.00 0.00 C ATOM 767 CG LYS A 49 -9.035 -8.733 -15.402 1.00 0.00 C ATOM 768 CD LYS A 49 -8.090 -8.888 -16.621 1.00 0.00 C ATOM 769 CE LYS A 49 -8.674 -9.902 -17.618 1.00 0.00 C ATOM 770 NZ LYS A 49 -10.012 -9.454 -18.102 1.00 0.00 N ATOM 0 H LYS A 49 -5.526 -7.903 -13.828 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.947 -6.470 -14.933 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.511 -9.271 -13.959 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.897 -8.463 -13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.631 -9.637 -15.280 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.732 -7.913 -15.578 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.953 -7.923 -17.110 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.106 -9.219 -16.288 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.996 -10.020 -18.464 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.762 -10.879 -17.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.307 -10.046 -18.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.707 -9.543 -17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.957 -8.461 -18.406 1.00 0.00 H new ATOM 784 N PRO A 50 -7.246 -5.081 -12.810 1.00 0.00 N ATOM 785 CA PRO A 50 -7.354 -4.270 -11.567 1.00 0.00 C ATOM 786 C PRO A 50 -8.794 -4.253 -11.032 1.00 0.00 C ATOM 787 O PRO A 50 -9.005 -4.167 -9.837 1.00 0.00 O ATOM 788 CB PRO A 50 -6.862 -2.864 -11.934 1.00 0.00 C ATOM 789 CG PRO A 50 -6.529 -2.873 -13.456 1.00 0.00 C ATOM 790 CD PRO A 50 -6.822 -4.289 -13.995 1.00 0.00 C ATOM 0 HA PRO A 50 -6.752 -4.693 -10.763 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.626 -2.119 -11.712 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -5.981 -2.600 -11.349 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.130 -2.132 -13.983 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.484 -2.611 -13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.604 -4.267 -14.754 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.938 -4.723 -14.462 1.00 0.00 H new ATOM 798 N GLU A 51 -9.729 -4.339 -11.948 1.00 0.00 N ATOM 799 CA GLU A 51 -11.183 -4.158 -11.626 1.00 0.00 C ATOM 800 C GLU A 51 -11.622 -5.016 -10.429 1.00 0.00 C ATOM 801 O GLU A 51 -12.399 -4.577 -9.602 1.00 0.00 O ATOM 802 CB GLU A 51 -12.012 -4.545 -12.858 1.00 0.00 C ATOM 803 CG GLU A 51 -11.844 -3.492 -13.975 1.00 0.00 C ATOM 804 CD GLU A 51 -11.603 -4.210 -15.316 1.00 0.00 C ATOM 805 OE1 GLU A 51 -10.492 -4.691 -15.481 1.00 0.00 O ATOM 806 OE2 GLU A 51 -12.539 -4.240 -16.100 1.00 0.00 O ATOM 0 H GLU A 51 -9.541 -4.532 -12.932 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.344 -3.114 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.698 -5.523 -13.222 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.064 -4.629 -12.584 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -12.735 -2.867 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.007 -2.832 -13.746 1.00 0.00 H new ATOM 813 N GLU A 52 -11.101 -6.214 -10.384 1.00 0.00 N ATOM 814 CA GLU A 52 -11.470 -7.186 -9.306 1.00 0.00 C ATOM 815 C GLU A 52 -10.524 -7.030 -8.108 1.00 0.00 C ATOM 816 O GLU A 52 -10.921 -7.237 -6.977 1.00 0.00 O ATOM 817 CB GLU A 52 -11.382 -8.633 -9.870 1.00 0.00 C ATOM 818 CG GLU A 52 -10.199 -8.765 -10.850 1.00 0.00 C ATOM 819 CD GLU A 52 -9.957 -10.243 -11.212 1.00 0.00 C ATOM 820 OE1 GLU A 52 -9.251 -10.879 -10.448 1.00 0.00 O ATOM 821 OE2 GLU A 52 -10.489 -10.651 -12.234 1.00 0.00 O ATOM 0 H GLU A 52 -10.424 -6.568 -11.059 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.488 -6.987 -8.972 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.262 -9.341 -9.050 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.312 -8.888 -10.378 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.403 -8.192 -11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.300 -8.343 -10.402 1.00 0.00 H new ATOM 828 N ILE A 53 -9.300 -6.666 -8.396 1.00 0.00 N ATOM 829 CA ILE A 53 -8.299 -6.409 -7.311 1.00 0.00 C ATOM 830 C ILE A 53 -8.712 -5.184 -6.478 1.00 0.00 C ATOM 831 O ILE A 53 -9.371 -4.289 -6.975 1.00 0.00 O ATOM 832 CB ILE A 53 -6.903 -6.153 -7.941 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.512 -7.345 -8.863 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.852 -6.016 -6.803 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.284 -6.984 -9.730 1.00 0.00 C ATOM 0 H ILE A 53 -8.947 -6.534 -9.344 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.257 -7.283 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.933 -5.238 -8.533 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.290 -8.223 -8.256 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.353 -7.606 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.868 -5.836 -7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.122 -5.181 -6.157 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.828 -6.935 -6.217 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.027 -7.830 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.519 -6.120 -10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.439 -6.747 -9.083 1.00 0.00 H new ATOM 847 N GLY A 54 -8.302 -5.193 -5.233 1.00 0.00 N ATOM 848 CA GLY A 54 -8.645 -4.080 -4.301 1.00 0.00 C ATOM 849 C GLY A 54 -7.565 -3.005 -4.389 1.00 0.00 C ATOM 850 O GLY A 54 -7.537 -2.235 -5.326 1.00 0.00 O ATOM 0 H GLY A 54 -7.737 -5.935 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.617 -3.659 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.721 -4.454 -3.280 1.00 0.00 H new ATOM 854 N TRP A 55 -6.713 -2.996 -3.402 1.00 0.00 N ATOM 855 CA TRP A 55 -5.602 -1.998 -3.348 1.00 0.00 C ATOM 856 C TRP A 55 -4.343 -2.545 -4.028 1.00 0.00 C ATOM 857 O TRP A 55 -4.011 -3.707 -3.893 1.00 0.00 O ATOM 858 CB TRP A 55 -5.319 -1.673 -1.871 1.00 0.00 C ATOM 859 CG TRP A 55 -6.276 -0.559 -1.446 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.536 -0.744 -0.960 1.00 0.00 C ATOM 861 CD2 TRP A 55 -6.014 0.767 -1.496 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.951 0.489 -0.751 1.00 0.00 N ATOM 863 CE2 TRP A 55 -7.108 1.469 -1.040 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.887 1.451 -1.906 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -7.082 2.849 -0.995 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.863 2.825 -1.859 1.00 0.00 C ATOM 867 CH2 TRP A 55 -5.958 3.528 -1.403 1.00 0.00 C ATOM 0 H TRP A 55 -6.738 -3.647 -2.617 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.894 -1.093 -3.882 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.463 -2.558 -1.251 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.284 -1.358 -1.741 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.063 -1.671 -0.789 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.882 0.681 -0.382 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.025 0.907 -2.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.944 3.394 -0.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -3.980 3.357 -2.181 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.933 4.607 -1.366 1.00 0.00 H new ATOM 878 N LEU A 56 -3.684 -1.668 -4.742 1.00 0.00 N ATOM 879 CA LEU A 56 -2.414 -2.016 -5.444 1.00 0.00 C ATOM 880 C LEU A 56 -1.283 -1.341 -4.665 1.00 0.00 C ATOM 881 O LEU A 56 -1.411 -0.193 -4.295 1.00 0.00 O ATOM 882 CB LEU A 56 -2.459 -1.475 -6.889 1.00 0.00 C ATOM 883 CG LEU A 56 -3.543 -2.192 -7.747 1.00 0.00 C ATOM 884 CD1 LEU A 56 -3.663 -1.488 -9.130 1.00 0.00 C ATOM 885 CD2 LEU A 56 -3.154 -3.663 -7.957 1.00 0.00 C ATOM 0 H LEU A 56 -3.982 -0.701 -4.870 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.265 -3.095 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.662 -0.404 -6.869 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.483 -1.606 -7.356 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.500 -2.143 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.422 -1.991 -9.730 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.947 -0.446 -8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.704 -1.534 -9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.916 -4.159 -8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.195 -3.716 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.074 -4.160 -6.990 1.00 0.00 H new ATOM 897 N ASN A 57 -0.220 -2.071 -4.443 1.00 0.00 N ATOM 898 CA ASN A 57 0.998 -1.484 -3.800 1.00 0.00 C ATOM 899 C ASN A 57 2.167 -1.561 -4.793 1.00 0.00 C ATOM 900 O ASN A 57 2.495 -2.629 -5.276 1.00 0.00 O ATOM 901 CB ASN A 57 1.324 -2.287 -2.520 1.00 0.00 C ATOM 902 CG ASN A 57 1.863 -1.398 -1.384 1.00 0.00 C ATOM 903 OD1 ASN A 57 1.834 -1.786 -0.234 1.00 0.00 O ATOM 904 ND2 ASN A 57 2.351 -0.214 -1.642 1.00 0.00 N ATOM 0 H ASN A 57 -0.142 -3.060 -4.682 1.00 0.00 H new ATOM 0 HA ASN A 57 0.826 -0.442 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.425 -2.801 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.060 -3.056 -2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.701 0.370 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.382 0.126 -2.603 1.00 0.00 H new ATOM 911 N GLY A 58 2.759 -0.424 -5.065 1.00 0.00 N ATOM 912 CA GLY A 58 3.921 -0.383 -6.010 1.00 0.00 C ATOM 913 C GLY A 58 4.650 0.965 -5.978 1.00 0.00 C ATOM 914 O GLY A 58 4.395 1.802 -5.133 1.00 0.00 O ATOM 0 H GLY A 58 2.489 0.478 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.621 -1.178 -5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.570 -0.580 -7.023 1.00 0.00 H new ATOM 918 N TYR A 59 5.548 1.114 -6.922 1.00 0.00 N ATOM 919 CA TYR A 59 6.377 2.353 -7.023 1.00 0.00 C ATOM 920 C TYR A 59 5.731 3.341 -8.005 1.00 0.00 C ATOM 921 O TYR A 59 5.116 2.951 -8.979 1.00 0.00 O ATOM 922 CB TYR A 59 7.790 1.976 -7.518 1.00 0.00 C ATOM 923 CG TYR A 59 8.690 1.540 -6.350 1.00 0.00 C ATOM 924 CD1 TYR A 59 8.319 0.502 -5.516 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.893 2.179 -6.123 1.00 0.00 C ATOM 926 CE1 TYR A 59 9.135 0.113 -4.476 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.711 1.789 -5.081 1.00 0.00 C ATOM 928 CZ TYR A 59 10.336 0.752 -4.251 1.00 0.00 C ATOM 929 OH TYR A 59 11.152 0.358 -3.209 1.00 0.00 O ATOM 0 H TYR A 59 5.743 0.415 -7.639 1.00 0.00 H new ATOM 0 HA TYR A 59 6.443 2.825 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.719 1.169 -8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.239 2.828 -8.028 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.382 -0.008 -5.681 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.197 2.991 -6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.831 -0.699 -3.832 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.649 2.298 -4.915 1.00 0.00 H new ATOM 0 HH TYR A 59 11.959 0.915 -3.197 1.00 0.00 H new ATOM 939 N ASN A 60 5.906 4.597 -7.689 1.00 0.00 N ATOM 940 CA ASN A 60 5.447 5.721 -8.565 1.00 0.00 C ATOM 941 C ASN A 60 6.672 6.566 -8.967 1.00 0.00 C ATOM 942 O ASN A 60 6.791 7.723 -8.609 1.00 0.00 O ATOM 943 CB ASN A 60 4.416 6.537 -7.749 1.00 0.00 C ATOM 944 CG ASN A 60 3.520 7.404 -8.649 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.033 8.105 -9.624 1.00 0.00 O flip ATOM 946 ND2 ASN A 60 2.321 7.447 -8.463 1.00 0.00 N flip ATOM 0 H ASN A 60 6.364 4.902 -6.830 1.00 0.00 H new ATOM 0 HA ASN A 60 4.978 5.371 -9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.794 5.856 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.941 7.175 -7.038 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.903 6.906 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.732 8.024 -9.064 1.00 0.00 H new ATOM 953 N GLU A 61 7.557 5.944 -9.709 1.00 0.00 N ATOM 954 CA GLU A 61 8.802 6.639 -10.185 1.00 0.00 C ATOM 955 C GLU A 61 8.500 7.917 -10.991 1.00 0.00 C ATOM 956 O GLU A 61 9.335 8.798 -11.068 1.00 0.00 O ATOM 957 CB GLU A 61 9.624 5.693 -11.079 1.00 0.00 C ATOM 958 CG GLU A 61 10.018 4.408 -10.307 1.00 0.00 C ATOM 959 CD GLU A 61 11.081 3.574 -11.068 1.00 0.00 C ATOM 960 OE1 GLU A 61 11.147 3.671 -12.286 1.00 0.00 O ATOM 961 OE2 GLU A 61 11.787 2.868 -10.365 1.00 0.00 O ATOM 0 H GLU A 61 7.471 4.973 -10.010 1.00 0.00 H new ATOM 0 HA GLU A 61 9.359 6.920 -9.291 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.045 5.428 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.522 6.203 -11.427 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.406 4.680 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.130 3.798 -10.141 1.00 0.00 H new ATOM 968 N THR A 62 7.320 7.976 -11.563 1.00 0.00 N ATOM 969 CA THR A 62 6.879 9.181 -12.338 1.00 0.00 C ATOM 970 C THR A 62 7.016 10.468 -11.509 1.00 0.00 C ATOM 971 O THR A 62 7.321 11.520 -12.035 1.00 0.00 O ATOM 972 CB THR A 62 5.411 8.989 -12.755 1.00 0.00 C ATOM 973 OG1 THR A 62 5.402 7.844 -13.594 1.00 0.00 O ATOM 974 CG2 THR A 62 4.921 10.138 -13.664 1.00 0.00 C ATOM 0 H THR A 62 6.631 7.225 -11.524 1.00 0.00 H new ATOM 0 HA THR A 62 7.517 9.283 -13.216 1.00 0.00 H new ATOM 0 HB THR A 62 4.790 8.928 -11.861 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.854 7.143 -13.184 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.880 9.967 -13.938 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.005 11.085 -13.131 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.532 10.174 -14.566 1.00 0.00 H new ATOM 982 N THR A 63 6.777 10.320 -10.233 1.00 0.00 N ATOM 983 CA THR A 63 6.913 11.449 -9.259 1.00 0.00 C ATOM 984 C THR A 63 8.136 11.243 -8.354 1.00 0.00 C ATOM 985 O THR A 63 8.470 12.101 -7.559 1.00 0.00 O ATOM 986 CB THR A 63 5.630 11.515 -8.417 1.00 0.00 C ATOM 987 OG1 THR A 63 5.448 10.208 -7.884 1.00 0.00 O ATOM 988 CG2 THR A 63 4.397 11.758 -9.313 1.00 0.00 C ATOM 0 H THR A 63 6.485 9.438 -9.811 1.00 0.00 H new ATOM 0 HA THR A 63 7.056 12.385 -9.799 1.00 0.00 H new ATOM 0 HB THR A 63 5.720 12.307 -7.674 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.986 9.648 -8.542 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.501 11.801 -8.694 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.515 12.701 -9.847 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.303 10.944 -10.032 1.00 0.00 H new ATOM 996 N GLY A 64 8.764 10.104 -8.510 1.00 0.00 N ATOM 997 CA GLY A 64 9.954 9.758 -7.675 1.00 0.00 C ATOM 998 C GLY A 64 9.537 9.413 -6.242 1.00 0.00 C ATOM 999 O GLY A 64 10.195 9.800 -5.295 1.00 0.00 O ATOM 0 H GLY A 64 8.499 9.391 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.480 8.912 -8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.651 10.596 -7.663 1.00 0.00 H new ATOM 1003 N GLU A 65 8.452 8.692 -6.132 1.00 0.00 N ATOM 1004 CA GLU A 65 7.932 8.268 -4.793 1.00 0.00 C ATOM 1005 C GLU A 65 7.341 6.858 -4.894 1.00 0.00 C ATOM 1006 O GLU A 65 7.290 6.292 -5.968 1.00 0.00 O ATOM 1007 CB GLU A 65 6.851 9.288 -4.336 1.00 0.00 C ATOM 1008 CG GLU A 65 7.424 10.207 -3.237 1.00 0.00 C ATOM 1009 CD GLU A 65 7.435 9.446 -1.895 1.00 0.00 C ATOM 1010 OE1 GLU A 65 8.439 8.800 -1.640 1.00 0.00 O ATOM 1011 OE2 GLU A 65 6.436 9.553 -1.201 1.00 0.00 O ATOM 0 H GLU A 65 7.894 8.373 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 65 8.739 8.247 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.521 9.886 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.976 8.759 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.434 10.521 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.821 11.111 -3.151 1.00 0.00 H new ATOM 1018 N ARG A 66 6.915 6.335 -3.771 1.00 0.00 N ATOM 1019 CA ARG A 66 6.317 4.961 -3.727 1.00 0.00 C ATOM 1020 C ARG A 66 5.237 4.916 -2.637 1.00 0.00 C ATOM 1021 O ARG A 66 5.350 5.590 -1.630 1.00 0.00 O ATOM 1022 CB ARG A 66 7.444 3.931 -3.426 1.00 0.00 C ATOM 1023 CG ARG A 66 8.071 4.220 -2.042 1.00 0.00 C ATOM 1024 CD ARG A 66 9.282 3.300 -1.794 1.00 0.00 C ATOM 1025 NE ARG A 66 8.765 1.965 -1.363 1.00 0.00 N ATOM 1026 CZ ARG A 66 9.496 1.158 -0.640 1.00 0.00 C ATOM 1027 NH1 ARG A 66 10.121 1.613 0.412 1.00 0.00 N ATOM 1028 NH2 ARG A 66 9.571 -0.096 -0.992 1.00 0.00 N ATOM 0 H ARG A 66 6.956 6.808 -2.868 1.00 0.00 H new ATOM 0 HA ARG A 66 5.858 4.714 -4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 66 7.038 2.920 -3.446 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.211 3.982 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.383 5.263 -1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.326 4.069 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.879 3.203 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.932 3.723 -1.028 1.00 0.00 H new ATOM 0 HE ARG A 66 7.825 1.679 -1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.038 2.597 0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.692 0.985 0.977 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.066 -0.426 -1.814 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.135 -0.746 -0.445 1.00 0.00 H new ATOM 1042 N GLY A 67 4.224 4.123 -2.875 1.00 0.00 N ATOM 1043 CA GLY A 67 3.134 3.962 -1.861 1.00 0.00 C ATOM 1044 C GLY A 67 2.015 3.031 -2.352 1.00 0.00 C ATOM 1045 O GLY A 67 2.239 2.166 -3.178 1.00 0.00 O ATOM 0 H GLY A 67 4.103 3.578 -3.729 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.555 3.565 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.713 4.939 -1.625 1.00 0.00 H new ATOM 1049 N ASP A 68 0.837 3.249 -1.817 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.353 2.411 -2.173 1.00 0.00 C ATOM 1051 C ASP A 68 -1.316 3.277 -2.988 1.00 0.00 C ATOM 1052 O ASP A 68 -1.378 4.476 -2.802 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.044 1.931 -0.880 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.708 0.456 -0.616 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.145 -0.358 -1.414 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.030 0.231 0.374 1.00 0.00 O ATOM 0 H ASP A 68 0.647 3.985 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.050 1.540 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.720 2.542 -0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.123 2.056 -0.968 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.041 2.634 -3.867 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.048 3.346 -4.708 1.00 0.00 C ATOM 1063 C PHE A 69 -4.187 2.371 -5.073 1.00 0.00 C ATOM 1064 O PHE A 69 -3.920 1.207 -5.306 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.350 3.869 -5.986 1.00 0.00 C ATOM 1066 CG PHE A 69 -1.735 2.717 -6.806 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.639 2.007 -6.337 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.278 2.378 -8.029 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.099 0.979 -7.079 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -1.737 1.348 -8.770 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.646 0.646 -8.297 1.00 0.00 C ATOM 0 H PHE A 69 -1.976 1.631 -4.040 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.472 4.189 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.070 4.410 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.569 4.578 -5.711 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.205 2.262 -5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.131 2.922 -8.408 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.755 0.434 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.169 1.089 -9.725 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.224 -0.160 -8.880 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.413 2.848 -5.115 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.596 1.987 -5.385 1.00 0.00 C ATOM 1083 C PRO A 70 -6.481 1.209 -6.712 1.00 0.00 C ATOM 1084 O PRO A 70 -5.738 1.596 -7.593 1.00 0.00 O ATOM 1085 CB PRO A 70 -7.807 2.931 -5.380 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.283 4.361 -5.067 1.00 0.00 C ATOM 1087 CD PRO A 70 -5.758 4.282 -4.901 1.00 0.00 C ATOM 0 HA PRO A 70 -6.687 1.211 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.313 2.911 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.535 2.617 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.544 5.047 -5.873 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.746 4.746 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.250 4.921 -5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.452 4.616 -3.910 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.227 0.136 -6.792 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.256 -0.730 -8.011 1.00 0.00 C ATOM 1097 C GLY A 71 -8.531 -0.562 -8.852 1.00 0.00 C ATOM 1098 O GLY A 71 -8.936 -1.494 -9.521 1.00 0.00 O ATOM 0 H GLY A 71 -7.836 -0.185 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.389 -0.501 -8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.165 -1.773 -7.708 1.00 0.00 H new ATOM 1102 N THR A 72 -9.130 0.605 -8.807 1.00 0.00 N ATOM 1103 CA THR A 72 -10.485 0.805 -9.428 1.00 0.00 C ATOM 1104 C THR A 72 -10.516 2.096 -10.262 1.00 0.00 C ATOM 1105 O THR A 72 -11.513 2.397 -10.888 1.00 0.00 O ATOM 1106 CB THR A 72 -11.551 0.855 -8.285 1.00 0.00 C ATOM 1107 OG1 THR A 72 -12.815 0.872 -8.941 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.503 2.172 -7.468 1.00 0.00 C ATOM 0 H THR A 72 -8.737 1.436 -8.364 1.00 0.00 H new ATOM 0 HA THR A 72 -10.708 -0.022 -10.102 1.00 0.00 H new ATOM 0 HB THR A 72 -11.374 0.016 -7.612 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.753 1.411 -9.757 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.266 2.146 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.520 2.280 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 72 -11.688 3.018 -8.130 1.00 0.00 H new ATOM 1116 N TYR A 73 -9.420 2.814 -10.243 1.00 0.00 N ATOM 1117 CA TYR A 73 -9.312 4.097 -11.005 1.00 0.00 C ATOM 1118 C TYR A 73 -8.148 4.049 -12.023 1.00 0.00 C ATOM 1119 O TYR A 73 -7.985 4.966 -12.801 1.00 0.00 O ATOM 1120 CB TYR A 73 -9.108 5.236 -9.967 1.00 0.00 C ATOM 1121 CG TYR A 73 -7.608 5.507 -9.783 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -6.844 4.691 -8.975 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -7.007 6.559 -10.447 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -5.497 4.925 -8.832 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -5.659 6.792 -10.304 1.00 0.00 C ATOM 1126 CZ TYR A 73 -4.899 5.974 -9.496 1.00 0.00 C ATOM 1127 OH TYR A 73 -3.548 6.201 -9.360 1.00 0.00 O ATOM 0 H TYR A 73 -8.581 2.560 -9.722 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.218 4.271 -11.585 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.612 6.142 -10.303 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.556 4.957 -9.014 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.305 3.866 -8.453 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.599 7.202 -11.082 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.905 4.284 -8.196 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.196 7.617 -10.825 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.062 5.703 -10.049 1.00 0.00 H new ATOM 1137 N VAL A 74 -7.386 2.991 -11.968 1.00 0.00 N ATOM 1138 CA VAL A 74 -6.206 2.797 -12.875 1.00 0.00 C ATOM 1139 C VAL A 74 -6.610 1.909 -14.058 1.00 0.00 C ATOM 1140 O VAL A 74 -7.730 1.450 -14.139 1.00 0.00 O ATOM 1141 CB VAL A 74 -5.021 2.114 -12.084 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -4.060 3.193 -11.496 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.529 1.158 -10.958 1.00 0.00 C ATOM 0 H VAL A 74 -7.534 2.225 -11.311 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.876 3.769 -13.242 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.471 1.501 -12.799 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.250 2.703 -10.955 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.645 3.791 -12.307 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.613 3.840 -10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.676 0.714 -10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.128 1.723 -10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.138 0.369 -11.398 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.669 1.696 -14.939 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.911 0.873 -16.158 1.00 0.00 C ATOM 1155 C GLU A 75 -4.600 0.186 -16.542 1.00 0.00 C ATOM 1156 O GLU A 75 -3.703 0.807 -17.076 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.389 1.799 -17.279 1.00 0.00 C ATOM 1158 CG GLU A 75 -6.774 0.977 -18.536 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.440 1.875 -19.604 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -7.021 3.016 -19.739 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -8.346 1.361 -20.240 1.00 0.00 O ATOM 0 H GLU A 75 -4.722 2.067 -14.862 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.671 0.112 -15.980 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.248 2.378 -16.939 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.603 2.512 -17.530 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.884 0.508 -18.954 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.455 0.174 -18.255 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.545 -1.089 -16.256 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.404 -1.941 -16.712 1.00 0.00 C ATOM 1170 C TYR A 76 -3.102 -1.692 -18.203 1.00 0.00 C ATOM 1171 O TYR A 76 -4.012 -1.495 -18.987 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.775 -3.430 -16.476 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.848 -4.309 -17.326 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.557 -4.568 -16.920 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.298 -4.834 -18.519 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.727 -5.341 -17.700 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.472 -5.607 -19.302 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.180 -5.865 -18.897 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.357 -6.637 -19.690 1.00 0.00 O ATOM 0 H TYR A 76 -5.255 -1.585 -15.716 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.508 -1.688 -16.145 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.672 -3.682 -15.421 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.816 -3.607 -16.746 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.195 -4.163 -15.986 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.309 -4.636 -18.842 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.284 -5.539 -17.375 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.836 -6.012 -20.235 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.846 -6.919 -20.491 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.833 -1.716 -18.534 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.414 -1.475 -19.950 1.00 0.00 C ATOM 1191 C ILE A 77 -0.593 -2.641 -20.511 1.00 0.00 C ATOM 1192 O ILE A 77 -0.910 -3.147 -21.571 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.589 -0.146 -20.014 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.295 0.056 -18.742 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.562 1.052 -20.149 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.482 0.986 -19.062 1.00 0.00 C ATOM 0 H ILE A 77 -1.068 -1.893 -17.883 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.309 -1.391 -20.567 1.00 0.00 H new ATOM 0 HB ILE A 77 0.073 -0.206 -20.878 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.304 0.483 -17.938 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.663 -0.907 -18.389 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.992 1.980 -20.194 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.150 0.942 -21.060 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.230 1.077 -19.288 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.091 1.119 -18.168 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.089 0.543 -19.852 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.107 1.954 -19.393 1.00 0.00 H new ATOM 1208 N GLY A 78 0.432 -3.037 -19.797 1.00 0.00 N ATOM 1209 CA GLY A 78 1.379 -4.067 -20.338 1.00 0.00 C ATOM 1210 C GLY A 78 2.116 -4.803 -19.227 1.00 0.00 C ATOM 1211 O GLY A 78 2.419 -4.242 -18.193 1.00 0.00 O ATOM 0 H GLY A 78 0.656 -2.693 -18.863 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.826 -4.785 -20.944 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.102 -3.585 -20.995 1.00 0.00 H new ATOM 1215 N ARG A 79 2.370 -6.054 -19.510 1.00 0.00 N ATOM 1216 CA ARG A 79 3.098 -6.951 -18.559 1.00 0.00 C ATOM 1217 C ARG A 79 4.287 -7.636 -19.246 1.00 0.00 C ATOM 1218 O ARG A 79 4.130 -8.310 -20.247 1.00 0.00 O ATOM 1219 CB ARG A 79 2.135 -8.010 -18.013 1.00 0.00 C ATOM 1220 CG ARG A 79 1.563 -8.928 -19.107 1.00 0.00 C ATOM 1221 CD ARG A 79 0.253 -9.444 -18.547 1.00 0.00 C ATOM 1222 NE ARG A 79 -0.334 -10.443 -19.492 1.00 0.00 N ATOM 1223 CZ ARG A 79 -1.353 -10.123 -20.246 1.00 0.00 C ATOM 1224 NH1 ARG A 79 -2.503 -9.867 -19.684 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -1.190 -10.067 -21.539 1.00 0.00 N ATOM 0 H ARG A 79 2.096 -6.504 -20.383 1.00 0.00 H new ATOM 0 HA ARG A 79 3.482 -6.344 -17.739 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.655 -8.618 -17.272 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.313 -7.513 -17.497 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.406 -8.382 -20.037 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.246 -9.748 -19.330 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.418 -9.903 -17.572 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -0.442 -8.617 -18.397 1.00 0.00 H new ATOM 0 HE ARG A 79 0.063 -11.381 -19.549 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.598 -9.918 -18.670 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.307 -9.616 -20.259 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.278 -10.271 -21.947 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -1.975 -9.819 -22.142 1.00 0.00 H new ATOM 1239 N LYS A 80 5.447 -7.435 -18.678 1.00 0.00 N ATOM 1240 CA LYS A 80 6.688 -8.079 -19.211 1.00 0.00 C ATOM 1241 C LYS A 80 7.181 -9.113 -18.196 1.00 0.00 C ATOM 1242 O LYS A 80 8.355 -9.181 -17.889 1.00 0.00 O ATOM 1243 CB LYS A 80 7.760 -6.982 -19.444 1.00 0.00 C ATOM 1244 CG LYS A 80 7.157 -5.802 -20.244 1.00 0.00 C ATOM 1245 CD LYS A 80 8.286 -5.051 -20.993 1.00 0.00 C ATOM 1246 CE LYS A 80 7.727 -3.780 -21.672 1.00 0.00 C ATOM 1247 NZ LYS A 80 8.007 -2.579 -20.832 1.00 0.00 N ATOM 0 H LYS A 80 5.591 -6.846 -17.858 1.00 0.00 H new ATOM 0 HA LYS A 80 6.488 -8.582 -20.157 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.139 -6.625 -18.486 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.608 -7.402 -19.986 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.418 -6.172 -20.955 1.00 0.00 H new ATOM 0 HG3 LYS A 80 6.638 -5.120 -19.570 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.077 -4.780 -20.294 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.732 -5.705 -21.742 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.178 -3.657 -22.657 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.653 -3.883 -21.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.626 -1.732 -21.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.556 -2.693 -19.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.034 -2.474 -20.708 1.00 0.00 H new ATOM 1261 N LYS A 81 6.245 -9.888 -17.706 1.00 0.00 N ATOM 1262 CA LYS A 81 6.548 -11.021 -16.765 1.00 0.00 C ATOM 1263 C LYS A 81 7.749 -11.878 -17.218 1.00 0.00 C ATOM 1264 O LYS A 81 7.608 -12.812 -17.984 1.00 0.00 O ATOM 1265 CB LYS A 81 5.267 -11.934 -16.620 1.00 0.00 C ATOM 1266 CG LYS A 81 4.288 -11.870 -17.835 1.00 0.00 C ATOM 1267 CD LYS A 81 4.954 -12.383 -19.135 1.00 0.00 C ATOM 1268 CE LYS A 81 3.924 -12.385 -20.286 1.00 0.00 C ATOM 1269 NZ LYS A 81 4.077 -11.159 -21.120 1.00 0.00 N ATOM 0 H LYS A 81 5.254 -9.782 -17.923 1.00 0.00 H new ATOM 0 HA LYS A 81 6.820 -10.581 -15.806 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.586 -12.967 -16.480 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.728 -11.642 -15.719 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.402 -12.467 -17.620 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.953 -10.843 -17.979 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.802 -11.749 -19.395 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.344 -13.389 -18.982 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.061 -13.273 -20.904 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.914 -12.432 -19.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.296 -11.105 -21.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.059 -10.318 -20.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 4.983 -11.197 -21.630 1.00 0.00 H new ATOM 1283 N ILE A 82 8.909 -11.519 -16.722 1.00 0.00 N ATOM 1284 CA ILE A 82 10.169 -12.194 -17.190 1.00 0.00 C ATOM 1285 C ILE A 82 11.251 -12.288 -16.094 1.00 0.00 C ATOM 1286 O ILE A 82 11.880 -11.318 -15.717 1.00 0.00 O ATOM 1287 CB ILE A 82 10.705 -11.412 -18.441 1.00 0.00 C ATOM 1288 CG1 ILE A 82 11.842 -12.231 -19.127 1.00 0.00 C ATOM 1289 CG2 ILE A 82 11.236 -10.002 -18.066 1.00 0.00 C ATOM 1290 CD1 ILE A 82 11.254 -13.205 -20.164 1.00 0.00 C ATOM 0 H ILE A 82 9.041 -10.793 -16.018 1.00 0.00 H new ATOM 0 HA ILE A 82 9.930 -13.225 -17.451 1.00 0.00 H new ATOM 0 HB ILE A 82 9.869 -11.280 -19.128 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.544 -11.553 -19.613 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.403 -12.786 -18.375 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.596 -9.498 -18.963 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.432 -9.417 -17.620 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.053 -10.099 -17.351 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.061 -13.768 -20.633 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.570 -13.895 -19.669 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.714 -12.643 -20.926 1.00 0.00 H new ATOM 1302 N SER A 83 11.427 -13.493 -15.619 1.00 0.00 N ATOM 1303 CA SER A 83 12.432 -13.781 -14.546 1.00 0.00 C ATOM 1304 C SER A 83 13.805 -14.178 -15.128 1.00 0.00 C ATOM 1305 O SER A 83 14.796 -13.634 -14.682 1.00 0.00 O ATOM 1306 CB SER A 83 11.929 -14.936 -13.607 1.00 0.00 C ATOM 1307 OG SER A 83 10.617 -15.321 -13.999 1.00 0.00 O ATOM 0 H SER A 83 10.905 -14.310 -15.936 1.00 0.00 H new ATOM 0 HA SER A 83 12.549 -12.860 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.604 -15.789 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 83 11.928 -14.603 -12.569 1.00 0.00 H new ATOM 0 HG SER A 83 10.300 -16.043 -13.417 1.00 0.00 H new ATOM 1313 N PRO A 84 13.863 -15.088 -16.085 1.00 0.00 N ATOM 1314 CA PRO A 84 15.159 -15.495 -16.688 1.00 0.00 C ATOM 1315 C PRO A 84 15.790 -14.335 -17.479 1.00 0.00 C ATOM 1316 O PRO A 84 15.022 -13.630 -18.113 1.00 0.00 O ATOM 1317 CB PRO A 84 14.849 -16.706 -17.582 1.00 0.00 C ATOM 1318 CG PRO A 84 13.305 -16.905 -17.565 1.00 0.00 C ATOM 1319 CD PRO A 84 12.696 -15.803 -16.674 1.00 0.00 C ATOM 1320 OXT PRO A 84 17.001 -14.222 -17.406 1.00 0.00 O ATOM 0 HA PRO A 84 15.892 -15.759 -15.926 1.00 0.00 H new ATOM 0 HB2 PRO A 84 15.204 -16.535 -18.598 1.00 0.00 H new ATOM 0 HB3 PRO A 84 15.356 -17.597 -17.213 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.901 -16.845 -18.576 1.00 0.00 H new ATOM 0 HG3 PRO A 84 13.052 -17.892 -17.178 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.072 -15.125 -17.257 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.063 -16.230 -15.897 1.00 0.00 H new TER 1328 PRO A 84