USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 606 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 26 MET CE :methyl 162:sc= -0.823 (180deg=-0.986) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 86 HIS :FLIP no HD1:sc=-0.00844 F(o=-1.5,f=-0.83) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= 0.918 (180deg=-0.0666) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -47:sc= 0.864 USER MOD Single : A 34 LYS NZ :NH3+ -162:sc= -0.0559 (180deg=-0.428) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc=-0.00106 X(o=-0.0011,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -170:sc= -0.195 USER MOD Single : A 48 GLN : amide:sc= -0.0253 K(o=-0.025,f=-2.5) USER MOD Single : A 49 GLN : amide:sc= -1.56! C(o=-1.6!,f=-5.1!) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= -0.689 (180deg=-1.93!) USER MOD Single : A 55 SER OG : rot -28:sc= 0.812 USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.378 (180deg=0.371) USER MOD Single : A 59 LYS NZ :NH3+ 173:sc=-0.00133 (180deg=-0.0664) USER MOD Single : A 60 SER OG : rot 58:sc= 0.683 USER MOD Single : A 61 HIS :FLIP no HD1:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.024) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0.818 (180deg=0.818) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc=-9.82e-05 (180deg=-0.0293) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 82 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.5!) USER MOD Single : A 83 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-2.6) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 169:sc= -0.0482 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 25 -11.637 13.444 4.687 1.00 0.00 N ATOM 38 CA ILE A 25 -10.554 12.500 4.972 1.00 0.00 C ATOM 39 C ILE A 25 -9.858 12.138 3.637 1.00 0.00 C ATOM 40 O ILE A 25 -10.501 12.173 2.574 1.00 0.00 O ATOM 41 CB ILE A 25 -11.122 11.241 5.728 1.00 0.00 C ATOM 42 CG1 ILE A 25 -9.989 10.501 6.490 1.00 0.00 C ATOM 43 CG2 ILE A 25 -11.889 10.284 4.780 1.00 0.00 C ATOM 44 CD1 ILE A 25 -10.462 9.448 7.460 1.00 0.00 C ATOM 0 HA ILE A 25 -9.809 12.945 5.632 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.847 11.599 6.459 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.326 10.033 5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.396 11.236 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -12.262 9.431 5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.728 10.814 4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -11.218 9.933 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.601 8.986 7.944 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -11.099 9.909 8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.028 8.687 6.923 1.00 0.00 H new ATOM 56 N MET A 26 -8.561 11.795 3.675 1.00 0.00 N ATOM 57 CA MET A 26 -7.777 11.577 2.441 1.00 0.00 C ATOM 58 C MET A 26 -8.070 10.176 1.873 1.00 0.00 C ATOM 59 O MET A 26 -7.717 9.150 2.475 1.00 0.00 O ATOM 60 CB MET A 26 -6.258 11.757 2.702 1.00 0.00 C ATOM 61 CG MET A 26 -5.366 11.536 1.470 1.00 0.00 C ATOM 62 SD MET A 26 -3.605 11.709 1.836 1.00 0.00 S ATOM 63 CE MET A 26 -3.468 13.451 2.231 1.00 0.00 C ATOM 0 H MET A 26 -8.033 11.663 4.538 1.00 0.00 H new ATOM 0 HA MET A 26 -8.076 12.325 1.707 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.085 12.763 3.083 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.952 11.063 3.485 1.00 0.00 H new ATOM 0 HG2 MET A 26 -5.552 10.540 1.067 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.643 12.250 0.695 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.539 13.629 2.772 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.469 14.034 1.310 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.313 13.751 2.851 1.00 0.00 H new ATOM 73 N LYS A 27 -8.755 10.166 0.719 1.00 0.00 N ATOM 74 CA LYS A 27 -9.142 8.945 0.007 1.00 0.00 C ATOM 75 C LYS A 27 -7.952 8.456 -0.837 1.00 0.00 C ATOM 76 O LYS A 27 -7.711 8.958 -1.944 1.00 0.00 O ATOM 77 CB LYS A 27 -10.382 9.212 -0.906 1.00 0.00 C ATOM 78 CG LYS A 27 -11.531 10.023 -0.251 1.00 0.00 C ATOM 79 CD LYS A 27 -12.040 9.417 1.083 1.00 0.00 C ATOM 80 CE LYS A 27 -12.612 7.989 0.929 1.00 0.00 C ATOM 81 NZ LYS A 27 -13.780 7.949 0.013 1.00 0.00 N ATOM 0 H LYS A 27 -9.058 11.020 0.250 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.415 8.177 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.048 9.743 -1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.781 8.253 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.187 11.041 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.364 10.088 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.220 9.397 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.811 10.066 1.498 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.833 7.326 0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.907 7.610 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.594 7.530 0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.018 8.915 -0.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.547 7.373 -0.821 1.00 0.00 H new ATOM 95 N VAL A 28 -7.183 7.519 -0.274 1.00 0.00 N ATOM 96 CA VAL A 28 -6.020 6.931 -0.949 1.00 0.00 C ATOM 97 C VAL A 28 -6.419 5.585 -1.554 1.00 0.00 C ATOM 98 O VAL A 28 -6.610 4.612 -0.822 1.00 0.00 O ATOM 99 CB VAL A 28 -4.823 6.716 0.054 1.00 0.00 C ATOM 100 CG1 VAL A 28 -3.556 6.218 -0.680 1.00 0.00 C ATOM 101 CG2 VAL A 28 -4.537 7.993 0.868 1.00 0.00 C ATOM 0 H VAL A 28 -7.348 7.147 0.661 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.692 7.618 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.120 5.939 0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.749 6.080 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.770 5.269 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.255 6.954 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.706 7.811 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.279 8.806 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.424 8.266 1.441 1.00 0.00 H new ATOM 111 N THR A 29 -6.530 5.529 -2.883 1.00 0.00 N ATOM 112 CA THR A 29 -6.810 4.279 -3.592 1.00 0.00 C ATOM 113 C THR A 29 -5.494 3.530 -3.818 1.00 0.00 C ATOM 114 O THR A 29 -4.468 4.146 -4.102 1.00 0.00 O ATOM 115 CB THR A 29 -7.526 4.542 -4.957 1.00 0.00 C ATOM 116 OG1 THR A 29 -8.680 5.363 -4.740 1.00 0.00 O ATOM 117 CG2 THR A 29 -7.973 3.231 -5.629 1.00 0.00 C ATOM 0 H THR A 29 -6.429 6.340 -3.493 1.00 0.00 H new ATOM 0 HA THR A 29 -7.483 3.675 -2.984 1.00 0.00 H new ATOM 0 HB THR A 29 -6.813 5.041 -5.614 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.128 5.530 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.466 3.457 -6.575 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.102 2.602 -5.815 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.667 2.705 -4.974 1.00 0.00 H new ATOM 125 N VAL A 30 -5.515 2.216 -3.610 1.00 0.00 N ATOM 126 CA VAL A 30 -4.360 1.341 -3.831 1.00 0.00 C ATOM 127 C VAL A 30 -4.730 0.289 -4.879 1.00 0.00 C ATOM 128 O VAL A 30 -5.615 -0.548 -4.649 1.00 0.00 O ATOM 129 CB VAL A 30 -3.906 0.665 -2.484 1.00 0.00 C ATOM 130 CG1 VAL A 30 -2.851 -0.445 -2.704 1.00 0.00 C ATOM 131 CG2 VAL A 30 -3.370 1.731 -1.501 1.00 0.00 C ATOM 0 H VAL A 30 -6.343 1.720 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.519 1.931 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.786 0.188 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.573 -0.878 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.268 -1.222 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.968 -0.018 -3.179 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.060 1.248 -0.574 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.517 2.241 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.155 2.456 -1.287 1.00 0.00 H new ATOM 141 N LYS A 31 -4.067 0.368 -6.041 1.00 0.00 N ATOM 142 CA LYS A 31 -4.234 -0.591 -7.139 1.00 0.00 C ATOM 143 C LYS A 31 -3.074 -1.603 -7.064 1.00 0.00 C ATOM 144 O LYS A 31 -1.922 -1.229 -6.802 1.00 0.00 O ATOM 145 CB LYS A 31 -4.272 0.179 -8.499 1.00 0.00 C ATOM 146 CG LYS A 31 -4.887 -0.593 -9.707 1.00 0.00 C ATOM 147 CD LYS A 31 -3.900 -1.555 -10.411 1.00 0.00 C ATOM 148 CE LYS A 31 -4.570 -2.425 -11.488 1.00 0.00 C ATOM 149 NZ LYS A 31 -5.150 -1.631 -12.596 1.00 0.00 N ATOM 0 H LYS A 31 -3.394 1.106 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.174 -1.137 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.838 1.100 -8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.253 0.467 -8.759 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.748 -1.164 -9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.256 0.129 -10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.099 -0.974 -10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.438 -2.202 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.836 -3.121 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.356 -3.023 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.587 -2.271 -13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.872 -0.984 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.399 -1.080 -13.058 1.00 0.00 H new ATOM 163 N THR A 32 -3.402 -2.880 -7.260 1.00 0.00 N ATOM 164 CA THR A 32 -2.466 -4.009 -7.145 1.00 0.00 C ATOM 165 C THR A 32 -2.510 -4.834 -8.444 1.00 0.00 C ATOM 166 O THR A 32 -3.361 -4.574 -9.303 1.00 0.00 O ATOM 167 CB THR A 32 -2.866 -4.910 -5.922 1.00 0.00 C ATOM 168 OG1 THR A 32 -4.204 -5.395 -6.083 1.00 0.00 O ATOM 169 CG2 THR A 32 -2.765 -4.151 -4.605 1.00 0.00 C ATOM 0 H THR A 32 -4.348 -3.170 -7.509 1.00 0.00 H new ATOM 0 HA THR A 32 -1.455 -3.633 -6.987 1.00 0.00 H new ATOM 0 HB THR A 32 -2.167 -5.746 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.791 -4.655 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.050 -4.808 -3.783 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.740 -3.811 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.433 -3.290 -4.629 1.00 0.00 H new ATOM 177 N PRO A 33 -1.582 -5.819 -8.655 1.00 0.00 N ATOM 178 CA PRO A 33 -1.705 -6.803 -9.777 1.00 0.00 C ATOM 179 C PRO A 33 -2.837 -7.850 -9.555 1.00 0.00 C ATOM 180 O PRO A 33 -2.708 -9.014 -9.949 1.00 0.00 O ATOM 181 CB PRO A 33 -0.302 -7.465 -9.777 1.00 0.00 C ATOM 182 CG PRO A 33 0.173 -7.361 -8.361 1.00 0.00 C ATOM 183 CD PRO A 33 -0.309 -6.016 -7.887 1.00 0.00 C ATOM 0 HA PRO A 33 -1.980 -6.335 -10.722 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.356 -8.505 -10.100 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.376 -6.953 -10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.234 -8.165 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.259 -7.434 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.482 -6.006 -6.811 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.416 -5.230 -8.100 1.00 0.00 H new ATOM 191 N LYS A 34 -3.974 -7.398 -8.985 1.00 0.00 N ATOM 192 CA LYS A 34 -5.045 -8.254 -8.455 1.00 0.00 C ATOM 193 C LYS A 34 -6.386 -7.503 -8.549 1.00 0.00 C ATOM 194 O LYS A 34 -7.302 -7.922 -9.261 1.00 0.00 O ATOM 195 CB LYS A 34 -4.749 -8.606 -6.967 1.00 0.00 C ATOM 196 CG LYS A 34 -3.523 -9.519 -6.735 1.00 0.00 C ATOM 197 CD LYS A 34 -2.992 -9.442 -5.295 1.00 0.00 C ATOM 198 CE LYS A 34 -1.982 -10.544 -4.976 1.00 0.00 C ATOM 199 NZ LYS A 34 -2.566 -11.898 -5.126 1.00 0.00 N ATOM 0 H LYS A 34 -4.173 -6.403 -8.880 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.097 -9.174 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.600 -7.678 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.628 -9.092 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.794 -10.550 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.729 -9.237 -7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.525 -8.470 -5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -3.829 -9.510 -4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.120 -10.447 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.619 -10.418 -3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.974 -12.589 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.526 -11.908 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.608 -12.148 -6.135 1.00 0.00 H new ATOM 213 N GLU A 35 -6.458 -6.359 -7.840 1.00 0.00 N ATOM 214 CA GLU A 35 -7.689 -5.552 -7.677 1.00 0.00 C ATOM 215 C GLU A 35 -7.328 -4.145 -7.157 1.00 0.00 C ATOM 216 O GLU A 35 -6.161 -3.757 -7.181 1.00 0.00 O ATOM 217 CB GLU A 35 -8.669 -6.263 -6.699 1.00 0.00 C ATOM 218 CG GLU A 35 -8.069 -6.552 -5.307 1.00 0.00 C ATOM 219 CD GLU A 35 -9.082 -7.134 -4.320 1.00 0.00 C ATOM 220 OE1 GLU A 35 -9.397 -8.333 -4.424 1.00 0.00 O ATOM 221 OE2 GLU A 35 -9.579 -6.398 -3.441 1.00 0.00 O ATOM 0 H GLU A 35 -5.652 -5.962 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.181 -5.450 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.558 -5.644 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.993 -7.203 -7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.237 -7.248 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.661 -5.628 -4.896 1.00 0.00 H new ATOM 228 N LYS A 36 -8.334 -3.378 -6.714 1.00 0.00 N ATOM 229 CA LYS A 36 -8.128 -2.039 -6.130 1.00 0.00 C ATOM 230 C LYS A 36 -9.076 -1.834 -4.939 1.00 0.00 C ATOM 231 O LYS A 36 -10.258 -2.175 -5.014 1.00 0.00 O ATOM 232 CB LYS A 36 -8.343 -0.931 -7.204 1.00 0.00 C ATOM 233 CG LYS A 36 -9.717 -0.992 -7.917 1.00 0.00 C ATOM 234 CD LYS A 36 -9.931 0.131 -8.951 1.00 0.00 C ATOM 235 CE LYS A 36 -10.022 1.525 -8.314 1.00 0.00 C ATOM 236 NZ LYS A 36 -10.199 2.580 -9.336 1.00 0.00 N ATOM 0 H LYS A 36 -9.312 -3.665 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.100 -1.967 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.236 0.044 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.555 -1.009 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.815 -1.956 -8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.507 -0.939 -7.168 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.110 0.118 -9.668 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.845 -0.067 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.857 1.552 -7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.117 1.723 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.257 3.508 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.390 2.570 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.075 2.405 -9.868 1.00 0.00 H new ATOM 250 N GLU A 37 -8.534 -1.300 -3.833 1.00 0.00 N ATOM 251 CA GLU A 37 -9.308 -0.926 -2.629 1.00 0.00 C ATOM 252 C GLU A 37 -8.950 0.518 -2.246 1.00 0.00 C ATOM 253 O GLU A 37 -7.769 0.874 -2.205 1.00 0.00 O ATOM 254 CB GLU A 37 -9.012 -1.904 -1.446 1.00 0.00 C ATOM 255 CG GLU A 37 -9.555 -3.344 -1.622 1.00 0.00 C ATOM 256 CD GLU A 37 -11.097 -3.432 -1.550 1.00 0.00 C ATOM 257 OE1 GLU A 37 -11.772 -3.283 -2.587 1.00 0.00 O ATOM 258 OE2 GLU A 37 -11.645 -3.635 -0.442 1.00 0.00 O ATOM 0 H GLU A 37 -7.535 -1.112 -3.744 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.374 -0.995 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.933 -1.956 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.436 -1.483 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.221 -3.736 -2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.126 -3.983 -0.850 1.00 0.00 H new ATOM 265 N GLU A 38 -9.974 1.344 -1.983 1.00 0.00 N ATOM 266 CA GLU A 38 -9.800 2.750 -1.609 1.00 0.00 C ATOM 267 C GLU A 38 -9.911 2.886 -0.084 1.00 0.00 C ATOM 268 O GLU A 38 -10.922 2.497 0.521 1.00 0.00 O ATOM 269 CB GLU A 38 -10.847 3.644 -2.311 1.00 0.00 C ATOM 270 CG GLU A 38 -10.697 5.150 -2.001 1.00 0.00 C ATOM 271 CD GLU A 38 -11.839 5.989 -2.576 1.00 0.00 C ATOM 272 OE1 GLU A 38 -12.919 6.037 -1.959 1.00 0.00 O ATOM 273 OE2 GLU A 38 -11.678 6.593 -3.654 1.00 0.00 O ATOM 0 H GLU A 38 -10.950 1.051 -2.025 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.813 3.082 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.772 3.496 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.844 3.320 -2.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.656 5.292 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.750 5.507 -2.406 1.00 0.00 H new ATOM 280 N PHE A 39 -8.862 3.433 0.514 1.00 0.00 N ATOM 281 CA PHE A 39 -8.743 3.636 1.958 1.00 0.00 C ATOM 282 C PHE A 39 -9.031 5.100 2.308 1.00 0.00 C ATOM 283 O PHE A 39 -9.029 5.974 1.431 1.00 0.00 O ATOM 284 CB PHE A 39 -7.324 3.239 2.418 1.00 0.00 C ATOM 285 CG PHE A 39 -6.962 1.801 2.060 1.00 0.00 C ATOM 286 CD1 PHE A 39 -7.267 0.755 2.922 1.00 0.00 C ATOM 287 CD2 PHE A 39 -6.340 1.498 0.847 1.00 0.00 C ATOM 288 CE1 PHE A 39 -6.965 -0.541 2.585 1.00 0.00 C ATOM 289 CE2 PHE A 39 -6.037 0.197 0.519 1.00 0.00 C ATOM 290 CZ PHE A 39 -6.349 -0.824 1.385 1.00 0.00 C ATOM 0 H PHE A 39 -8.045 3.758 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.471 3.010 2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.599 3.914 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.248 3.369 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.747 0.964 3.867 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.094 2.294 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.212 -1.344 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.553 -0.023 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.112 -1.845 1.126 1.00 0.00 H new ATOM 300 N ALA A 40 -9.281 5.352 3.590 1.00 0.00 N ATOM 301 CA ALA A 40 -9.564 6.689 4.116 1.00 0.00 C ATOM 302 C ALA A 40 -8.690 6.930 5.351 1.00 0.00 C ATOM 303 O ALA A 40 -8.854 6.250 6.370 1.00 0.00 O ATOM 304 CB ALA A 40 -11.054 6.800 4.445 1.00 0.00 C ATOM 0 H ALA A 40 -9.293 4.624 4.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.329 7.453 3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.267 7.795 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.640 6.633 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.318 6.052 5.192 1.00 0.00 H new ATOM 310 N VAL A 41 -7.748 7.886 5.237 1.00 0.00 N ATOM 311 CA VAL A 41 -6.738 8.187 6.277 1.00 0.00 C ATOM 312 C VAL A 41 -6.680 9.713 6.497 1.00 0.00 C ATOM 313 O VAL A 41 -6.785 10.463 5.532 1.00 0.00 O ATOM 314 CB VAL A 41 -5.312 7.627 5.893 1.00 0.00 C ATOM 315 CG1 VAL A 41 -5.327 6.083 5.786 1.00 0.00 C ATOM 316 CG2 VAL A 41 -4.761 8.262 4.587 1.00 0.00 C ATOM 0 H VAL A 41 -7.664 8.479 4.412 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.035 7.691 7.201 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.637 7.910 6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.332 5.727 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.622 5.655 6.744 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.038 5.778 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.779 7.845 4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.441 8.047 3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.676 9.341 4.715 1.00 0.00 H new ATOM 326 N PRO A 42 -6.547 10.216 7.765 1.00 0.00 N ATOM 327 CA PRO A 42 -6.626 11.675 8.064 1.00 0.00 C ATOM 328 C PRO A 42 -5.277 12.408 7.851 1.00 0.00 C ATOM 329 O PRO A 42 -4.889 13.258 8.664 1.00 0.00 O ATOM 330 CB PRO A 42 -7.063 11.655 9.546 1.00 0.00 C ATOM 331 CG PRO A 42 -6.357 10.462 10.122 1.00 0.00 C ATOM 332 CD PRO A 42 -6.325 9.422 9.012 1.00 0.00 C ATOM 0 HA PRO A 42 -7.303 12.223 7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.776 12.573 10.058 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.145 11.562 9.641 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.348 10.722 10.443 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -6.882 10.082 10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.371 8.896 8.985 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.101 8.669 9.149 1.00 0.00 H new ATOM 340 N GLU A 43 -4.589 12.044 6.734 1.00 0.00 N ATOM 341 CA GLU A 43 -3.215 12.486 6.335 1.00 0.00 C ATOM 342 C GLU A 43 -2.143 12.271 7.435 1.00 0.00 C ATOM 343 O GLU A 43 -0.981 12.659 7.254 1.00 0.00 O ATOM 344 CB GLU A 43 -3.191 13.956 5.782 1.00 0.00 C ATOM 345 CG GLU A 43 -3.261 15.095 6.823 1.00 0.00 C ATOM 346 CD GLU A 43 -3.292 16.493 6.188 1.00 0.00 C ATOM 347 OE1 GLU A 43 -4.375 16.935 5.754 1.00 0.00 O ATOM 348 OE2 GLU A 43 -2.233 17.153 6.109 1.00 0.00 O ATOM 0 H GLU A 43 -4.994 11.403 6.051 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.937 11.825 5.514 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.279 14.084 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.028 14.073 5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.151 14.962 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.400 15.024 7.488 1.00 0.00 H new ATOM 355 N ASN A 44 -2.516 11.588 8.540 1.00 0.00 N ATOM 356 CA ASN A 44 -1.646 11.354 9.701 1.00 0.00 C ATOM 357 C ASN A 44 -1.039 9.952 9.609 1.00 0.00 C ATOM 358 O ASN A 44 0.061 9.707 10.113 1.00 0.00 O ATOM 359 CB ASN A 44 -2.470 11.513 11.010 1.00 0.00 C ATOM 360 CG ASN A 44 -1.628 11.354 12.286 1.00 0.00 C ATOM 361 OD1 ASN A 44 -1.070 12.322 12.804 1.00 0.00 O ATOM 362 ND2 ASN A 44 -1.536 10.136 12.803 1.00 0.00 N ATOM 0 H ASN A 44 -3.445 11.180 8.646 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.837 12.084 9.710 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.943 12.495 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.271 10.774 11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.992 9.982 13.652 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.009 9.353 12.352 1.00 0.00 H new ATOM 369 N SER A 45 -1.785 9.034 8.959 1.00 0.00 N ATOM 370 CA SER A 45 -1.345 7.661 8.743 1.00 0.00 C ATOM 371 C SER A 45 -0.124 7.626 7.813 1.00 0.00 C ATOM 372 O SER A 45 -0.216 7.982 6.626 1.00 0.00 O ATOM 373 CB SER A 45 -2.495 6.816 8.168 1.00 0.00 C ATOM 374 OG SER A 45 -3.647 6.909 8.991 1.00 0.00 O ATOM 0 H SER A 45 -2.708 9.235 8.573 1.00 0.00 H new ATOM 0 HA SER A 45 -1.052 7.234 9.702 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.734 7.156 7.160 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.183 5.775 8.088 1.00 0.00 H new ATOM 0 HG SER A 45 -4.367 6.366 8.608 1.00 0.00 H new ATOM 380 N SER A 46 1.025 7.263 8.395 1.00 0.00 N ATOM 381 CA SER A 46 2.245 6.948 7.644 1.00 0.00 C ATOM 382 C SER A 46 2.035 5.675 6.820 1.00 0.00 C ATOM 383 O SER A 46 1.058 4.954 7.042 1.00 0.00 O ATOM 384 CB SER A 46 3.414 6.756 8.631 1.00 0.00 C ATOM 385 OG SER A 46 3.141 5.721 9.565 1.00 0.00 O ATOM 0 H SER A 46 1.135 7.179 9.406 1.00 0.00 H new ATOM 0 HA SER A 46 2.478 7.768 6.965 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.323 6.519 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.599 7.689 9.164 1.00 0.00 H new ATOM 0 HG SER A 46 3.823 5.728 10.269 1.00 0.00 H new ATOM 391 N VAL A 47 2.959 5.374 5.893 1.00 0.00 N ATOM 392 CA VAL A 47 2.913 4.112 5.129 1.00 0.00 C ATOM 393 C VAL A 47 3.054 2.904 6.093 1.00 0.00 C ATOM 394 O VAL A 47 2.468 1.858 5.848 1.00 0.00 O ATOM 395 CB VAL A 47 4.005 4.083 4.002 1.00 0.00 C ATOM 396 CG1 VAL A 47 4.005 2.750 3.211 1.00 0.00 C ATOM 397 CG2 VAL A 47 3.831 5.289 3.048 1.00 0.00 C ATOM 0 H VAL A 47 3.743 5.981 5.654 1.00 0.00 H new ATOM 0 HA VAL A 47 1.946 4.043 4.631 1.00 0.00 H new ATOM 0 HB VAL A 47 4.975 4.158 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.779 2.782 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.204 1.923 3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.033 2.606 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.596 5.253 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.845 5.248 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.929 6.216 3.612 1.00 0.00 H new ATOM 407 N GLN A 48 3.780 3.118 7.218 1.00 0.00 N ATOM 408 CA GLN A 48 3.896 2.148 8.340 1.00 0.00 C ATOM 409 C GLN A 48 2.521 1.817 8.964 1.00 0.00 C ATOM 410 O GLN A 48 2.269 0.678 9.361 1.00 0.00 O ATOM 411 CB GLN A 48 4.852 2.715 9.428 1.00 0.00 C ATOM 412 CG GLN A 48 4.966 1.896 10.748 1.00 0.00 C ATOM 413 CD GLN A 48 5.369 0.418 10.576 1.00 0.00 C ATOM 414 OE1 GLN A 48 6.074 0.043 9.642 1.00 0.00 O ATOM 415 NE2 GLN A 48 4.929 -0.434 11.488 1.00 0.00 N ATOM 0 H GLN A 48 4.307 3.977 7.375 1.00 0.00 H new ATOM 0 HA GLN A 48 4.304 1.221 7.937 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.848 2.804 8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.523 3.723 9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 48 5.697 2.381 11.395 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.007 1.936 11.264 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.345 -0.103 12.256 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.174 -1.422 11.423 1.00 0.00 H new ATOM 424 N GLN A 49 1.648 2.822 9.056 1.00 0.00 N ATOM 425 CA GLN A 49 0.285 2.662 9.612 1.00 0.00 C ATOM 426 C GLN A 49 -0.735 2.286 8.516 1.00 0.00 C ATOM 427 O GLN A 49 -1.825 1.784 8.815 1.00 0.00 O ATOM 428 CB GLN A 49 -0.136 3.977 10.317 1.00 0.00 C ATOM 429 CG GLN A 49 0.745 4.348 11.532 1.00 0.00 C ATOM 430 CD GLN A 49 0.391 5.704 12.165 1.00 0.00 C ATOM 431 OE1 GLN A 49 -0.031 6.631 11.485 1.00 0.00 O ATOM 432 NE2 GLN A 49 0.544 5.820 13.473 1.00 0.00 N ATOM 0 H GLN A 49 1.857 3.772 8.750 1.00 0.00 H new ATOM 0 HA GLN A 49 0.299 1.846 10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.102 4.792 9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.171 3.886 10.646 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.651 3.569 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.789 4.365 11.220 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.897 5.033 14.017 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.309 6.697 13.938 1.00 0.00 H new ATOM 441 N PHE A 50 -0.352 2.514 7.251 1.00 0.00 N ATOM 442 CA PHE A 50 -1.258 2.399 6.097 1.00 0.00 C ATOM 443 C PHE A 50 -1.274 0.979 5.511 1.00 0.00 C ATOM 444 O PHE A 50 -2.339 0.467 5.151 1.00 0.00 O ATOM 445 CB PHE A 50 -0.846 3.429 5.026 1.00 0.00 C ATOM 446 CG PHE A 50 -1.779 3.494 3.830 1.00 0.00 C ATOM 447 CD1 PHE A 50 -3.092 3.923 3.991 1.00 0.00 C ATOM 448 CD2 PHE A 50 -1.354 3.131 2.560 1.00 0.00 C ATOM 449 CE1 PHE A 50 -3.948 3.985 2.920 1.00 0.00 C ATOM 450 CE2 PHE A 50 -2.217 3.193 1.491 1.00 0.00 C ATOM 451 CZ PHE A 50 -3.512 3.619 1.671 1.00 0.00 C ATOM 0 H PHE A 50 0.598 2.784 6.998 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.273 2.606 6.437 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.796 4.415 5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.158 3.190 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.442 4.211 4.971 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.338 2.797 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.965 4.322 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.877 2.906 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.187 3.666 0.829 1.00 0.00 H new ATOM 461 N LYS A 51 -0.091 0.347 5.413 1.00 0.00 N ATOM 462 CA LYS A 51 0.038 -1.006 4.818 1.00 0.00 C ATOM 463 C LYS A 51 -0.597 -2.081 5.734 1.00 0.00 C ATOM 464 O LYS A 51 -0.862 -3.205 5.301 1.00 0.00 O ATOM 465 CB LYS A 51 1.509 -1.321 4.393 1.00 0.00 C ATOM 466 CG LYS A 51 2.458 -1.981 5.425 1.00 0.00 C ATOM 467 CD LYS A 51 2.708 -1.138 6.693 1.00 0.00 C ATOM 468 CE LYS A 51 4.010 -1.513 7.426 1.00 0.00 C ATOM 469 NZ LYS A 51 4.087 -2.947 7.786 1.00 0.00 N ATOM 0 H LYS A 51 0.791 0.746 5.736 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.534 -1.027 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.468 -1.971 3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.968 -0.385 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.041 -2.944 5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.415 -2.183 4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.744 -0.084 6.419 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.867 -1.261 7.375 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.861 -1.258 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.094 -0.913 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.708 -3.065 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.136 -3.299 8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.471 -3.486 6.984 1.00 0.00 H new ATOM 483 N GLU A 52 -0.840 -1.690 6.995 1.00 0.00 N ATOM 484 CA GLU A 52 -1.617 -2.470 7.978 1.00 0.00 C ATOM 485 C GLU A 52 -3.102 -2.566 7.551 1.00 0.00 C ATOM 486 O GLU A 52 -3.749 -3.606 7.716 1.00 0.00 O ATOM 487 CB GLU A 52 -1.523 -1.779 9.357 1.00 0.00 C ATOM 488 CG GLU A 52 -0.099 -1.389 9.786 1.00 0.00 C ATOM 489 CD GLU A 52 0.795 -2.566 10.197 1.00 0.00 C ATOM 490 OE1 GLU A 52 0.727 -2.993 11.359 1.00 0.00 O ATOM 491 OE2 GLU A 52 1.593 -3.044 9.378 1.00 0.00 O ATOM 0 H GLU A 52 -0.496 -0.806 7.370 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.207 -3.478 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.141 -0.882 9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.945 -2.444 10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.380 -0.857 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.165 -0.692 10.621 1.00 0.00 H new ATOM 498 N GLU A 53 -3.640 -1.444 7.030 1.00 0.00 N ATOM 499 CA GLU A 53 -5.015 -1.383 6.494 1.00 0.00 C ATOM 500 C GLU A 53 -5.102 -2.128 5.152 1.00 0.00 C ATOM 501 O GLU A 53 -6.137 -2.698 4.809 1.00 0.00 O ATOM 502 CB GLU A 53 -5.475 0.092 6.336 1.00 0.00 C ATOM 503 CG GLU A 53 -5.486 0.902 7.649 1.00 0.00 C ATOM 504 CD GLU A 53 -6.326 0.243 8.765 1.00 0.00 C ATOM 505 OE1 GLU A 53 -7.570 0.163 8.620 1.00 0.00 O ATOM 506 OE2 GLU A 53 -5.759 -0.203 9.787 1.00 0.00 O ATOM 0 H GLU A 53 -3.136 -0.559 6.969 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.684 -1.873 7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.819 0.590 5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.478 0.103 5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.462 1.026 8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.878 1.899 7.449 1.00 0.00 H new ATOM 513 N ILE A 54 -3.998 -2.091 4.402 1.00 0.00 N ATOM 514 CA ILE A 54 -3.847 -2.840 3.147 1.00 0.00 C ATOM 515 C ILE A 54 -3.905 -4.367 3.387 1.00 0.00 C ATOM 516 O ILE A 54 -4.587 -5.087 2.648 1.00 0.00 O ATOM 517 CB ILE A 54 -2.502 -2.431 2.438 1.00 0.00 C ATOM 518 CG1 ILE A 54 -2.582 -0.959 1.905 1.00 0.00 C ATOM 519 CG2 ILE A 54 -2.112 -3.406 1.314 1.00 0.00 C ATOM 520 CD1 ILE A 54 -1.318 -0.455 1.230 1.00 0.00 C ATOM 0 H ILE A 54 -3.177 -1.538 4.648 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.682 -2.586 2.494 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.714 -2.486 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.408 -0.889 1.197 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.820 -0.298 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.178 -3.080 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.983 -4.406 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.898 -3.424 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.469 0.571 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.490 -0.487 1.938 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.087 -1.087 0.372 1.00 0.00 H new ATOM 532 N SER A 55 -3.219 -4.833 4.445 1.00 0.00 N ATOM 533 CA SER A 55 -3.020 -6.274 4.709 1.00 0.00 C ATOM 534 C SER A 55 -4.329 -7.025 5.017 1.00 0.00 C ATOM 535 O SER A 55 -4.383 -8.245 4.873 1.00 0.00 O ATOM 536 CB SER A 55 -2.000 -6.468 5.853 1.00 0.00 C ATOM 537 OG SER A 55 -2.403 -5.842 7.059 1.00 0.00 O ATOM 0 H SER A 55 -2.787 -4.226 5.141 1.00 0.00 H new ATOM 0 HA SER A 55 -2.629 -6.710 3.790 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.859 -7.534 6.032 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.035 -6.066 5.545 1.00 0.00 H new ATOM 0 HG SER A 55 -2.968 -5.069 6.853 1.00 0.00 H new ATOM 543 N LYS A 56 -5.369 -6.298 5.461 1.00 0.00 N ATOM 544 CA LYS A 56 -6.687 -6.903 5.764 1.00 0.00 C ATOM 545 C LYS A 56 -7.575 -6.956 4.512 1.00 0.00 C ATOM 546 O LYS A 56 -8.441 -7.820 4.394 1.00 0.00 O ATOM 547 CB LYS A 56 -7.399 -6.117 6.892 1.00 0.00 C ATOM 548 CG LYS A 56 -7.860 -4.697 6.493 1.00 0.00 C ATOM 549 CD LYS A 56 -8.334 -3.840 7.682 1.00 0.00 C ATOM 550 CE LYS A 56 -7.219 -3.582 8.705 1.00 0.00 C ATOM 551 NZ LYS A 56 -7.632 -2.618 9.753 1.00 0.00 N ATOM 0 H LYS A 56 -5.327 -5.291 5.619 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.515 -7.925 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.267 -6.687 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.725 -6.040 7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.038 -4.185 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.671 -4.778 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.709 -2.886 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.167 -4.340 8.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.933 -4.524 9.173 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.337 -3.201 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.822 -2.410 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.961 -1.739 9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.403 -3.028 10.318 1.00 0.00 H new ATOM 565 N ARG A 57 -7.370 -6.006 3.590 1.00 0.00 N ATOM 566 CA ARG A 57 -8.171 -5.909 2.364 1.00 0.00 C ATOM 567 C ARG A 57 -7.679 -6.903 1.322 1.00 0.00 C ATOM 568 O ARG A 57 -8.449 -7.715 0.819 1.00 0.00 O ATOM 569 CB ARG A 57 -8.158 -4.453 1.830 1.00 0.00 C ATOM 570 CG ARG A 57 -8.898 -3.429 2.732 1.00 0.00 C ATOM 571 CD ARG A 57 -10.433 -3.603 2.754 1.00 0.00 C ATOM 572 NE ARG A 57 -10.878 -4.889 3.341 1.00 0.00 N ATOM 573 CZ ARG A 57 -11.844 -5.680 2.841 1.00 0.00 C ATOM 574 NH1 ARG A 57 -12.529 -5.335 1.757 1.00 0.00 N ATOM 575 NH2 ARG A 57 -12.112 -6.834 3.432 1.00 0.00 N ATOM 0 H ARG A 57 -6.650 -5.288 3.672 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.205 -6.168 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.123 -4.132 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.611 -4.439 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.518 -3.516 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.662 -2.422 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -10.875 -2.783 3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.813 -3.528 1.735 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.414 -5.200 4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -12.327 -4.454 1.285 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.257 -5.951 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.588 -7.117 4.260 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.843 -7.440 3.060 1.00 0.00 H new ATOM 589 N PHE A 58 -6.373 -6.855 1.046 1.00 0.00 N ATOM 590 CA PHE A 58 -5.722 -7.745 0.071 1.00 0.00 C ATOM 591 C PHE A 58 -5.254 -9.058 0.745 1.00 0.00 C ATOM 592 O PHE A 58 -4.626 -9.891 0.093 1.00 0.00 O ATOM 593 CB PHE A 58 -4.551 -6.989 -0.605 1.00 0.00 C ATOM 594 CG PHE A 58 -4.994 -5.690 -1.296 1.00 0.00 C ATOM 595 CD1 PHE A 58 -5.577 -5.710 -2.564 1.00 0.00 C ATOM 596 CD2 PHE A 58 -4.835 -4.452 -0.672 1.00 0.00 C ATOM 597 CE1 PHE A 58 -5.986 -4.533 -3.175 1.00 0.00 C ATOM 598 CE2 PHE A 58 -5.242 -3.281 -1.284 1.00 0.00 C ATOM 599 CZ PHE A 58 -5.811 -3.322 -2.538 1.00 0.00 C ATOM 0 H PHE A 58 -5.733 -6.198 1.491 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.439 -8.030 -0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.795 -6.756 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.080 -7.642 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.711 -6.652 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.385 -4.408 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.443 -4.565 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.114 -2.335 -0.779 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.120 -2.407 -3.022 1.00 0.00 H new ATOM 609 N LYS A 59 -5.540 -9.209 2.068 1.00 0.00 N ATOM 610 CA LYS A 59 -5.288 -10.455 2.852 1.00 0.00 C ATOM 611 C LYS A 59 -3.821 -10.939 2.787 1.00 0.00 C ATOM 612 O LYS A 59 -3.525 -12.088 3.129 1.00 0.00 O ATOM 613 CB LYS A 59 -6.283 -11.575 2.434 1.00 0.00 C ATOM 614 CG LYS A 59 -7.754 -11.285 2.805 1.00 0.00 C ATOM 615 CD LYS A 59 -7.953 -11.103 4.330 1.00 0.00 C ATOM 616 CE LYS A 59 -9.416 -10.818 4.708 1.00 0.00 C ATOM 617 NZ LYS A 59 -10.319 -11.935 4.337 1.00 0.00 N ATOM 0 H LYS A 59 -5.956 -8.464 2.627 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.464 -10.206 3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.214 -11.723 1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.979 -12.510 2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.086 -10.385 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.383 -12.104 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.617 -12.003 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.326 -10.283 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.484 -10.639 5.781 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.747 -9.906 4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.271 -11.752 4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.367 -12.013 3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.953 -12.824 4.735 1.00 0.00 H new ATOM 631 N SER A 60 -2.914 -10.029 2.428 1.00 0.00 N ATOM 632 CA SER A 60 -1.490 -10.339 2.221 1.00 0.00 C ATOM 633 C SER A 60 -0.679 -9.778 3.390 1.00 0.00 C ATOM 634 O SER A 60 -1.019 -8.728 3.930 1.00 0.00 O ATOM 635 CB SER A 60 -1.009 -9.742 0.879 1.00 0.00 C ATOM 636 OG SER A 60 -1.745 -10.266 -0.216 1.00 0.00 O ATOM 0 H SER A 60 -3.144 -9.048 2.270 1.00 0.00 H new ATOM 0 HA SER A 60 -1.349 -11.419 2.180 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.114 -8.657 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.051 -9.957 0.743 1.00 0.00 H new ATOM 0 HG SER A 60 -2.698 -10.077 -0.090 1.00 0.00 H new ATOM 642 N HIS A 61 0.384 -10.492 3.773 1.00 0.00 N ATOM 643 CA HIS A 61 1.256 -10.111 4.898 1.00 0.00 C ATOM 644 C HIS A 61 2.008 -8.798 4.565 1.00 0.00 C ATOM 645 O HIS A 61 2.472 -8.636 3.434 1.00 0.00 O ATOM 646 CB HIS A 61 2.231 -11.278 5.192 1.00 0.00 C ATOM 647 CG HIS A 61 2.995 -11.157 6.485 1.00 0.00 C ATOM 648 ND1 HIS A 61 4.254 -10.738 6.745 1.00 0.00 N flip ATOM 649 CD2 HIS A 61 2.457 -11.504 7.707 1.00 0.00 C flip ATOM 650 CE1 HIS A 61 4.446 -10.834 8.096 1.00 0.00 C flip ATOM 651 NE2 HIS A 61 3.351 -11.308 8.651 1.00 0.00 N flip ATOM 0 H HIS A 61 0.669 -11.356 3.311 1.00 0.00 H new ATOM 0 HA HIS A 61 0.662 -9.924 5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.665 -12.210 5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.944 -11.352 4.371 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.456 -11.879 7.864 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.350 -10.564 8.622 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.218 -11.492 9.645 1.00 0.00 H new ATOM 660 N THR A 62 2.111 -7.877 5.556 1.00 0.00 N ATOM 661 CA THR A 62 2.638 -6.510 5.344 1.00 0.00 C ATOM 662 C THR A 62 4.075 -6.503 4.787 1.00 0.00 C ATOM 663 O THR A 62 4.378 -5.726 3.881 1.00 0.00 O ATOM 664 CB THR A 62 2.578 -5.661 6.654 1.00 0.00 C ATOM 665 OG1 THR A 62 3.179 -6.389 7.739 1.00 0.00 O ATOM 666 CG2 THR A 62 1.136 -5.261 7.019 1.00 0.00 C ATOM 0 H THR A 62 1.832 -8.062 6.519 1.00 0.00 H new ATOM 0 HA THR A 62 1.989 -6.057 4.595 1.00 0.00 H new ATOM 0 HB THR A 62 3.136 -4.742 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.139 -5.850 8.556 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.143 -4.672 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.707 -4.669 6.211 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.536 -6.159 7.169 1.00 0.00 H new ATOM 674 N ASP A 63 4.937 -7.383 5.327 1.00 0.00 N ATOM 675 CA ASP A 63 6.340 -7.536 4.864 1.00 0.00 C ATOM 676 C ASP A 63 6.403 -7.912 3.366 1.00 0.00 C ATOM 677 O ASP A 63 7.345 -7.538 2.662 1.00 0.00 O ATOM 678 CB ASP A 63 7.053 -8.618 5.717 1.00 0.00 C ATOM 679 CG ASP A 63 8.526 -8.867 5.325 1.00 0.00 C ATOM 680 OD1 ASP A 63 9.401 -8.092 5.759 1.00 0.00 O ATOM 681 OD2 ASP A 63 8.814 -9.848 4.597 1.00 0.00 O ATOM 0 H ASP A 63 4.688 -8.008 6.093 1.00 0.00 H new ATOM 0 HA ASP A 63 6.847 -6.579 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.013 -8.322 6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.502 -9.555 5.629 1.00 0.00 H new ATOM 686 N GLN A 64 5.368 -8.630 2.892 1.00 0.00 N ATOM 687 CA GLN A 64 5.300 -9.154 1.515 1.00 0.00 C ATOM 688 C GLN A 64 4.696 -8.140 0.534 1.00 0.00 C ATOM 689 O GLN A 64 4.585 -8.434 -0.645 1.00 0.00 O ATOM 690 CB GLN A 64 4.484 -10.473 1.495 1.00 0.00 C ATOM 691 CG GLN A 64 5.039 -11.549 2.436 1.00 0.00 C ATOM 692 CD GLN A 64 4.284 -12.879 2.400 1.00 0.00 C ATOM 693 OE1 GLN A 64 4.178 -13.555 3.420 1.00 0.00 O ATOM 694 NE2 GLN A 64 3.808 -13.293 1.232 1.00 0.00 N ATOM 0 H GLN A 64 4.551 -8.864 3.456 1.00 0.00 H new ATOM 0 HA GLN A 64 6.321 -9.348 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.452 -10.257 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 64 4.466 -10.865 0.478 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.083 -11.732 2.181 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.022 -11.165 3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.912 -12.708 0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.338 -14.196 1.164 1.00 0.00 H new ATOM 703 N LEU A 65 4.295 -6.953 1.010 1.00 0.00 N ATOM 704 CA LEU A 65 3.716 -5.911 0.141 1.00 0.00 C ATOM 705 C LEU A 65 4.402 -4.555 0.397 1.00 0.00 C ATOM 706 O LEU A 65 4.626 -4.150 1.544 1.00 0.00 O ATOM 707 CB LEU A 65 2.160 -5.878 0.305 1.00 0.00 C ATOM 708 CG LEU A 65 1.563 -5.678 1.749 1.00 0.00 C ATOM 709 CD1 LEU A 65 1.495 -4.191 2.161 1.00 0.00 C ATOM 710 CD2 LEU A 65 0.172 -6.335 1.873 1.00 0.00 C ATOM 0 H LEU A 65 4.360 -6.687 1.993 1.00 0.00 H new ATOM 0 HA LEU A 65 3.907 -6.148 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.777 -5.077 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.764 -6.813 -0.091 1.00 0.00 H new ATOM 0 HG LEU A 65 2.247 -6.174 2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.076 -4.110 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.498 -3.764 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.863 -3.647 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.215 -6.181 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.509 -5.885 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.256 -7.404 1.676 1.00 0.00 H new ATOM 722 N VAL A 66 4.787 -3.886 -0.699 1.00 0.00 N ATOM 723 CA VAL A 66 5.457 -2.575 -0.678 1.00 0.00 C ATOM 724 C VAL A 66 4.789 -1.657 -1.703 1.00 0.00 C ATOM 725 O VAL A 66 4.540 -2.066 -2.841 1.00 0.00 O ATOM 726 CB VAL A 66 7.007 -2.699 -0.972 1.00 0.00 C ATOM 727 CG1 VAL A 66 7.749 -3.352 0.219 1.00 0.00 C ATOM 728 CG2 VAL A 66 7.279 -3.491 -2.286 1.00 0.00 C ATOM 0 H VAL A 66 4.640 -4.246 -1.642 1.00 0.00 H new ATOM 0 HA VAL A 66 5.356 -2.152 0.321 1.00 0.00 H new ATOM 0 HB VAL A 66 7.393 -1.688 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.812 -3.425 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.611 -2.742 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.347 -4.350 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.354 -3.556 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.864 -4.495 -2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.810 -2.977 -3.125 1.00 0.00 H new ATOM 738 N LEU A 67 4.458 -0.432 -1.283 1.00 0.00 N ATOM 739 CA LEU A 67 3.833 0.565 -2.163 1.00 0.00 C ATOM 740 C LEU A 67 4.932 1.237 -2.974 1.00 0.00 C ATOM 741 O LEU A 67 6.085 1.212 -2.572 1.00 0.00 O ATOM 742 CB LEU A 67 3.053 1.635 -1.357 1.00 0.00 C ATOM 743 CG LEU A 67 1.833 1.144 -0.508 1.00 0.00 C ATOM 744 CD1 LEU A 67 2.274 0.413 0.785 1.00 0.00 C ATOM 745 CD2 LEU A 67 0.892 2.319 -0.180 1.00 0.00 C ATOM 0 H LEU A 67 4.614 -0.103 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 67 3.118 0.062 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.755 2.130 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.695 2.390 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 67 1.289 0.419 -1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.393 0.092 1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.876 -0.457 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.864 1.090 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.050 1.957 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.436 3.073 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.523 2.759 -1.106 1.00 0.00 H new ATOM 757 N ILE A 68 4.586 1.765 -4.152 1.00 0.00 N ATOM 758 CA ILE A 68 5.506 2.560 -4.984 1.00 0.00 C ATOM 759 C ILE A 68 4.777 3.832 -5.416 1.00 0.00 C ATOM 760 O ILE A 68 3.616 3.772 -5.854 1.00 0.00 O ATOM 761 CB ILE A 68 6.066 1.799 -6.267 1.00 0.00 C ATOM 762 CG1 ILE A 68 6.939 0.548 -5.889 1.00 0.00 C ATOM 763 CG2 ILE A 68 6.894 2.755 -7.177 1.00 0.00 C ATOM 764 CD1 ILE A 68 6.172 -0.705 -5.506 1.00 0.00 C ATOM 0 H ILE A 68 3.658 1.655 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 68 6.382 2.776 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 68 5.192 1.448 -6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.585 0.311 -6.735 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.589 0.821 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.262 2.205 -8.043 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.262 3.578 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.739 3.152 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.875 -1.503 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.547 -0.498 -4.637 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.543 -1.015 -6.340 1.00 0.00 H new ATOM 776 N PHE A 69 5.473 4.967 -5.278 1.00 0.00 N ATOM 777 CA PHE A 69 4.991 6.285 -5.704 1.00 0.00 C ATOM 778 C PHE A 69 6.179 7.254 -5.671 1.00 0.00 C ATOM 779 O PHE A 69 7.121 7.056 -4.880 1.00 0.00 O ATOM 780 CB PHE A 69 3.829 6.786 -4.796 1.00 0.00 C ATOM 781 CG PHE A 69 2.916 7.852 -5.427 1.00 0.00 C ATOM 782 CD1 PHE A 69 3.254 9.208 -5.415 1.00 0.00 C ATOM 783 CD2 PHE A 69 1.699 7.491 -6.017 1.00 0.00 C ATOM 784 CE1 PHE A 69 2.412 10.158 -5.965 1.00 0.00 C ATOM 785 CE2 PHE A 69 0.861 8.447 -6.567 1.00 0.00 C ATOM 786 CZ PHE A 69 1.217 9.779 -6.541 1.00 0.00 C ATOM 0 H PHE A 69 6.403 4.995 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 69 4.588 6.223 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.218 5.930 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.255 7.193 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.187 9.519 -4.969 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.409 6.451 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.691 11.201 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.074 8.148 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.562 10.523 -6.970 1.00 0.00 H new ATOM 796 N ALA A 70 6.136 8.272 -6.555 1.00 0.00 N ATOM 797 CA ALA A 70 7.199 9.291 -6.705 1.00 0.00 C ATOM 798 C ALA A 70 8.514 8.668 -7.235 1.00 0.00 C ATOM 799 O ALA A 70 9.583 9.279 -7.142 1.00 0.00 O ATOM 800 CB ALA A 70 7.412 10.070 -5.386 1.00 0.00 C ATOM 0 H ALA A 70 5.353 8.412 -7.193 1.00 0.00 H new ATOM 0 HA ALA A 70 6.870 10.010 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.198 10.812 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.486 10.571 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.702 9.377 -4.597 1.00 0.00 H new ATOM 806 N GLY A 71 8.398 7.456 -7.819 1.00 0.00 N ATOM 807 CA GLY A 71 9.519 6.746 -8.428 1.00 0.00 C ATOM 808 C GLY A 71 10.259 5.808 -7.476 1.00 0.00 C ATOM 809 O GLY A 71 11.332 5.318 -7.838 1.00 0.00 O ATOM 0 H GLY A 71 7.515 6.949 -7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.151 6.168 -9.276 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.226 7.476 -8.823 1.00 0.00 H new ATOM 813 N LYS A 72 9.710 5.536 -6.269 1.00 0.00 N ATOM 814 CA LYS A 72 10.398 4.677 -5.268 1.00 0.00 C ATOM 815 C LYS A 72 9.403 3.904 -4.387 1.00 0.00 C ATOM 816 O LYS A 72 8.235 4.290 -4.269 1.00 0.00 O ATOM 817 CB LYS A 72 11.375 5.544 -4.409 1.00 0.00 C ATOM 818 CG LYS A 72 10.716 6.639 -3.505 1.00 0.00 C ATOM 819 CD LYS A 72 10.431 6.164 -2.051 1.00 0.00 C ATOM 820 CE LYS A 72 11.710 5.726 -1.310 1.00 0.00 C ATOM 821 NZ LYS A 72 11.433 5.321 0.092 1.00 0.00 N ATOM 0 H LYS A 72 8.804 5.892 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 72 10.977 3.926 -5.805 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.954 4.877 -3.771 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.080 6.034 -5.081 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.370 7.511 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.780 6.960 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.952 6.971 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.727 5.332 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.170 4.894 -1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.430 6.545 -1.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.320 5.034 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.018 6.122 0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.767 4.523 0.097 1.00 0.00 H new ATOM 835 N ILE A 73 9.905 2.815 -3.768 1.00 0.00 N ATOM 836 CA ILE A 73 9.141 1.989 -2.815 1.00 0.00 C ATOM 837 C ILE A 73 8.876 2.753 -1.491 1.00 0.00 C ATOM 838 O ILE A 73 9.800 3.137 -0.766 1.00 0.00 O ATOM 839 CB ILE A 73 9.799 0.568 -2.497 1.00 0.00 C ATOM 840 CG1 ILE A 73 11.198 0.643 -1.771 1.00 0.00 C ATOM 841 CG2 ILE A 73 9.899 -0.296 -3.777 1.00 0.00 C ATOM 842 CD1 ILE A 73 12.353 1.220 -2.582 1.00 0.00 C ATOM 0 H ILE A 73 10.858 2.484 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 73 8.197 1.786 -3.320 1.00 0.00 H new ATOM 0 HB ILE A 73 9.122 0.093 -1.787 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.082 1.242 -0.868 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.473 -0.363 -1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 73 10.350 -1.258 -3.533 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.902 -0.457 -4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.516 0.217 -4.515 1.00 0.00 H new ATOM 0 HD11 ILE A 73 13.259 1.219 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 73 12.511 0.612 -3.473 1.00 0.00 H new ATOM 0 HD13 ILE A 73 12.115 2.242 -2.878 1.00 0.00 H new ATOM 854 N LEU A 74 7.595 3.019 -1.229 1.00 0.00 N ATOM 855 CA LEU A 74 7.124 3.596 0.034 1.00 0.00 C ATOM 856 C LEU A 74 7.223 2.545 1.151 1.00 0.00 C ATOM 857 O LEU A 74 6.696 1.429 1.018 1.00 0.00 O ATOM 858 CB LEU A 74 5.666 4.086 -0.097 1.00 0.00 C ATOM 859 CG LEU A 74 5.346 4.981 -1.334 1.00 0.00 C ATOM 860 CD1 LEU A 74 3.883 5.461 -1.293 1.00 0.00 C ATOM 861 CD2 LEU A 74 6.333 6.171 -1.454 1.00 0.00 C ATOM 0 H LEU A 74 6.845 2.838 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 74 7.753 4.451 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.013 3.214 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.410 4.644 0.804 1.00 0.00 H new ATOM 0 HG LEU A 74 5.476 4.372 -2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.680 6.084 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.217 4.598 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.716 6.041 -0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.076 6.770 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.268 6.789 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.349 5.792 -1.560 1.00 0.00 H new ATOM 873 N LYS A 75 7.903 2.920 2.236 1.00 0.00 N ATOM 874 CA LYS A 75 8.188 2.049 3.386 1.00 0.00 C ATOM 875 C LYS A 75 7.758 2.744 4.691 1.00 0.00 C ATOM 876 O LYS A 75 7.114 3.793 4.661 1.00 0.00 O ATOM 877 CB LYS A 75 9.708 1.707 3.432 1.00 0.00 C ATOM 878 CG LYS A 75 10.254 0.973 2.185 1.00 0.00 C ATOM 879 CD LYS A 75 9.565 -0.396 1.929 1.00 0.00 C ATOM 880 CE LYS A 75 9.766 -1.406 3.081 1.00 0.00 C ATOM 881 NZ LYS A 75 11.201 -1.697 3.330 1.00 0.00 N ATOM 0 H LYS A 75 8.282 3.861 2.345 1.00 0.00 H new ATOM 0 HA LYS A 75 7.624 1.123 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.269 2.632 3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.899 1.090 4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.120 1.609 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.326 0.816 2.304 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.498 -0.235 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.956 -0.825 1.006 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.314 -1.011 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.245 -2.334 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.284 -2.441 4.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.648 -2.019 2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.677 -0.835 3.665 1.00 0.00 H new ATOM 895 N ASP A 76 8.127 2.135 5.827 1.00 0.00 N ATOM 896 CA ASP A 76 7.845 2.648 7.182 1.00 0.00 C ATOM 897 C ASP A 76 8.449 4.044 7.424 1.00 0.00 C ATOM 898 O ASP A 76 7.911 4.834 8.200 1.00 0.00 O ATOM 899 CB ASP A 76 8.379 1.648 8.238 1.00 0.00 C ATOM 900 CG ASP A 76 9.918 1.500 8.244 1.00 0.00 C ATOM 901 OD1 ASP A 76 10.494 1.145 7.192 1.00 0.00 O ATOM 902 OD2 ASP A 76 10.557 1.731 9.289 1.00 0.00 O ATOM 0 H ASP A 76 8.641 1.254 5.833 1.00 0.00 H new ATOM 0 HA ASP A 76 6.764 2.749 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.052 1.970 9.226 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.931 0.671 8.057 1.00 0.00 H new ATOM 907 N GLN A 77 9.567 4.326 6.746 1.00 0.00 N ATOM 908 CA GLN A 77 10.274 5.614 6.837 1.00 0.00 C ATOM 909 C GLN A 77 9.560 6.725 6.036 1.00 0.00 C ATOM 910 O GLN A 77 9.877 7.905 6.192 1.00 0.00 O ATOM 911 CB GLN A 77 11.722 5.454 6.314 1.00 0.00 C ATOM 912 CG GLN A 77 11.813 4.998 4.842 1.00 0.00 C ATOM 913 CD GLN A 77 13.241 4.981 4.300 1.00 0.00 C ATOM 914 OE1 GLN A 77 13.939 3.970 4.368 1.00 0.00 O ATOM 915 NE2 GLN A 77 13.688 6.103 3.758 1.00 0.00 N ATOM 0 H GLN A 77 10.013 3.663 6.112 1.00 0.00 H new ATOM 0 HA GLN A 77 10.282 5.910 7.886 1.00 0.00 H new ATOM 0 HB2 GLN A 77 12.243 6.405 6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 77 12.245 4.731 6.940 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.386 3.999 4.752 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.206 5.661 4.226 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.085 6.925 3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.635 6.146 3.382 1.00 0.00 H new ATOM 924 N ASP A 78 8.616 6.336 5.168 1.00 0.00 N ATOM 925 CA ASP A 78 7.887 7.260 4.283 1.00 0.00 C ATOM 926 C ASP A 78 6.456 7.474 4.798 1.00 0.00 C ATOM 927 O ASP A 78 5.900 6.623 5.509 1.00 0.00 O ATOM 928 CB ASP A 78 7.836 6.692 2.836 1.00 0.00 C ATOM 929 CG ASP A 78 9.233 6.402 2.250 1.00 0.00 C ATOM 930 OD1 ASP A 78 9.880 7.332 1.736 1.00 0.00 O ATOM 931 OD2 ASP A 78 9.692 5.246 2.304 1.00 0.00 O ATOM 0 H ASP A 78 8.333 5.362 5.058 1.00 0.00 H new ATOM 0 HA ASP A 78 8.412 8.215 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.250 5.773 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.318 7.402 2.191 1.00 0.00 H new ATOM 936 N THR A 79 5.874 8.630 4.443 1.00 0.00 N ATOM 937 CA THR A 79 4.439 8.906 4.599 1.00 0.00 C ATOM 938 C THR A 79 3.865 9.171 3.202 1.00 0.00 C ATOM 939 O THR A 79 4.542 9.787 2.357 1.00 0.00 O ATOM 940 CB THR A 79 4.176 10.139 5.523 1.00 0.00 C ATOM 941 OG1 THR A 79 4.779 11.302 4.959 1.00 0.00 O ATOM 942 CG2 THR A 79 4.730 9.940 6.941 1.00 0.00 C ATOM 0 H THR A 79 6.393 9.407 4.035 1.00 0.00 H new ATOM 0 HA THR A 79 3.958 8.049 5.071 1.00 0.00 H new ATOM 0 HB THR A 79 3.095 10.256 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.610 12.073 5.540 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.520 10.825 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.256 9.071 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.807 9.782 6.892 1.00 0.00 H new ATOM 950 N LEU A 80 2.626 8.714 2.958 1.00 0.00 N ATOM 951 CA LEU A 80 2.013 8.759 1.619 1.00 0.00 C ATOM 952 C LEU A 80 1.838 10.210 1.108 1.00 0.00 C ATOM 953 O LEU A 80 2.193 10.513 -0.039 1.00 0.00 O ATOM 954 CB LEU A 80 0.686 7.922 1.593 1.00 0.00 C ATOM 955 CG LEU A 80 -0.382 8.174 2.728 1.00 0.00 C ATOM 956 CD1 LEU A 80 -1.264 9.418 2.468 1.00 0.00 C ATOM 957 CD2 LEU A 80 -1.265 6.929 2.946 1.00 0.00 C ATOM 0 H LEU A 80 2.026 8.307 3.675 1.00 0.00 H new ATOM 0 HA LEU A 80 2.696 8.289 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.200 8.100 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.958 6.867 1.621 1.00 0.00 H new ATOM 0 HG LEU A 80 0.186 8.373 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.977 9.536 3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.633 10.305 2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.804 9.291 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.991 7.131 3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.790 6.689 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.639 6.086 3.238 1.00 0.00 H new ATOM 969 N SER A 81 1.379 11.111 1.998 1.00 0.00 N ATOM 970 CA SER A 81 1.066 12.508 1.648 1.00 0.00 C ATOM 971 C SER A 81 2.335 13.295 1.283 1.00 0.00 C ATOM 972 O SER A 81 2.290 14.184 0.419 1.00 0.00 O ATOM 973 CB SER A 81 0.317 13.194 2.813 1.00 0.00 C ATOM 974 OG SER A 81 -0.120 14.498 2.450 1.00 0.00 O ATOM 0 H SER A 81 1.215 10.890 2.980 1.00 0.00 H new ATOM 0 HA SER A 81 0.421 12.499 0.769 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.541 12.588 3.103 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.972 13.256 3.682 1.00 0.00 H new ATOM 0 HG SER A 81 -0.592 14.907 3.205 1.00 0.00 H new ATOM 980 N GLN A 82 3.468 12.940 1.923 1.00 0.00 N ATOM 981 CA GLN A 82 4.773 13.597 1.681 1.00 0.00 C ATOM 982 C GLN A 82 5.324 13.251 0.279 1.00 0.00 C ATOM 983 O GLN A 82 6.153 13.984 -0.266 1.00 0.00 O ATOM 984 CB GLN A 82 5.790 13.203 2.790 1.00 0.00 C ATOM 985 CG GLN A 82 7.147 13.957 2.777 1.00 0.00 C ATOM 986 CD GLN A 82 7.054 15.465 3.098 1.00 0.00 C ATOM 987 OE1 GLN A 82 6.055 16.133 2.830 1.00 0.00 O ATOM 988 NE2 GLN A 82 8.122 16.022 3.646 1.00 0.00 N ATOM 0 H GLN A 82 3.507 12.195 2.618 1.00 0.00 H new ATOM 0 HA GLN A 82 4.622 14.676 1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.318 13.364 3.760 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.991 12.135 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.815 13.487 3.499 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.604 13.837 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.941 15.453 3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.127 17.021 3.853 1.00 0.00 H new ATOM 997 N HIS A 83 4.846 12.136 -0.309 1.00 0.00 N ATOM 998 CA HIS A 83 5.199 11.733 -1.691 1.00 0.00 C ATOM 999 C HIS A 83 4.159 12.225 -2.707 1.00 0.00 C ATOM 1000 O HIS A 83 4.203 11.836 -3.870 1.00 0.00 O ATOM 1001 CB HIS A 83 5.390 10.198 -1.776 1.00 0.00 C ATOM 1002 CG HIS A 83 6.641 9.735 -1.092 1.00 0.00 C ATOM 1003 ND1 HIS A 83 7.823 9.509 -1.762 1.00 0.00 N ATOM 1004 CD2 HIS A 83 6.908 9.508 0.213 1.00 0.00 C ATOM 1005 CE1 HIS A 83 8.751 9.169 -0.900 1.00 0.00 C ATOM 1006 NE2 HIS A 83 8.219 9.160 0.300 1.00 0.00 N ATOM 0 H HIS A 83 4.207 11.490 0.155 1.00 0.00 H new ATOM 0 HA HIS A 83 6.145 12.209 -1.948 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.530 9.703 -1.326 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.420 9.897 -2.823 1.00 0.00 H new ATOM 0 HD2 HIS A 83 6.210 9.588 1.033 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.779 8.936 -1.137 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.712 8.928 1.162 1.00 0.00 H new ATOM 1015 N GLY A 84 3.245 13.100 -2.258 1.00 0.00 N ATOM 1016 CA GLY A 84 2.301 13.786 -3.142 1.00 0.00 C ATOM 1017 C GLY A 84 0.954 13.101 -3.267 1.00 0.00 C ATOM 1018 O GLY A 84 0.127 13.538 -4.072 1.00 0.00 O ATOM 0 H GLY A 84 3.143 13.348 -1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.147 14.800 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 84 2.746 13.871 -4.133 1.00 0.00 H new ATOM 1022 N ILE A 85 0.713 12.047 -2.463 1.00 0.00 N ATOM 1023 CA ILE A 85 -0.542 11.276 -2.519 1.00 0.00 C ATOM 1024 C ILE A 85 -1.625 11.994 -1.705 1.00 0.00 C ATOM 1025 O ILE A 85 -1.451 12.230 -0.504 1.00 0.00 O ATOM 1026 CB ILE A 85 -0.356 9.818 -1.973 1.00 0.00 C ATOM 1027 CG1 ILE A 85 0.854 9.130 -2.679 1.00 0.00 C ATOM 1028 CG2 ILE A 85 -1.652 8.983 -2.161 1.00 0.00 C ATOM 1029 CD1 ILE A 85 1.272 7.804 -2.088 1.00 0.00 C ATOM 0 H ILE A 85 1.375 11.710 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.843 11.206 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.150 9.874 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.604 8.979 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.706 9.809 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.495 7.976 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.471 9.456 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.900 8.930 -3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.119 7.407 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.559 7.944 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.440 7.102 -2.144 1.00 0.00 H new ATOM 1041 N HIS A 86 -2.717 12.368 -2.383 1.00 0.00 N ATOM 1042 CA HIS A 86 -3.863 13.068 -1.776 1.00 0.00 C ATOM 1043 C HIS A 86 -5.169 12.409 -2.253 1.00 0.00 C ATOM 1044 O HIS A 86 -5.126 11.457 -3.052 1.00 0.00 O ATOM 1045 CB HIS A 86 -3.813 14.581 -2.133 1.00 0.00 C ATOM 1046 CG HIS A 86 -2.549 15.268 -1.678 1.00 0.00 C ATOM 1047 ND1 HIS A 86 -2.133 15.628 -0.443 1.00 0.00 N flip ATOM 1048 CD2 HIS A 86 -1.525 15.620 -2.533 1.00 0.00 C flip ATOM 1049 CE1 HIS A 86 -0.884 16.169 -0.577 1.00 0.00 C flip ATOM 1050 NE2 HIS A 86 -0.541 16.152 -1.844 1.00 0.00 N flip ATOM 0 H HIS A 86 -2.834 12.192 -3.381 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.818 12.989 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -3.910 14.694 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.670 15.081 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.531 15.480 -3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -0.277 16.550 0.231 1.00 0.00 H new ATOM 0 HE2 HIS A 86 0.340 16.494 -2.228 1.00 0.00 H new ATOM 1059 N ASP A 87 -6.322 12.901 -1.744 1.00 0.00 N ATOM 1060 CA ASP A 87 -7.645 12.319 -2.053 1.00 0.00 C ATOM 1061 C ASP A 87 -7.949 12.397 -3.571 1.00 0.00 C ATOM 1062 O ASP A 87 -7.886 13.475 -4.179 1.00 0.00 O ATOM 1063 CB ASP A 87 -8.776 12.982 -1.208 1.00 0.00 C ATOM 1064 CG ASP A 87 -9.010 14.475 -1.510 1.00 0.00 C ATOM 1065 OD1 ASP A 87 -8.334 15.333 -0.915 1.00 0.00 O ATOM 1066 OD2 ASP A 87 -9.887 14.798 -2.339 1.00 0.00 O ATOM 0 H ASP A 87 -6.360 13.703 -1.115 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.613 11.265 -1.776 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.706 12.440 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.534 12.872 -0.151 1.00 0.00 H new ATOM 1071 N GLY A 88 -8.240 11.233 -4.178 1.00 0.00 N ATOM 1072 CA GLY A 88 -8.499 11.136 -5.622 1.00 0.00 C ATOM 1073 C GLY A 88 -7.375 10.461 -6.396 1.00 0.00 C ATOM 1074 O GLY A 88 -7.588 10.020 -7.534 1.00 0.00 O ATOM 0 H GLY A 88 -8.302 10.342 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.423 10.581 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.656 12.137 -6.023 1.00 0.00 H new ATOM 1078 N LEU A 89 -6.177 10.373 -5.783 1.00 0.00 N ATOM 1079 CA LEU A 89 -5.001 9.720 -6.404 1.00 0.00 C ATOM 1080 C LEU A 89 -4.958 8.224 -6.049 1.00 0.00 C ATOM 1081 O LEU A 89 -5.704 7.754 -5.175 1.00 0.00 O ATOM 1082 CB LEU A 89 -3.683 10.418 -5.971 1.00 0.00 C ATOM 1083 CG LEU A 89 -3.539 11.927 -6.363 1.00 0.00 C ATOM 1084 CD1 LEU A 89 -2.138 12.455 -6.000 1.00 0.00 C ATOM 1085 CD2 LEU A 89 -3.842 12.162 -7.866 1.00 0.00 C ATOM 0 H LEU A 89 -5.996 10.748 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.098 9.816 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.591 10.335 -4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.847 9.870 -6.405 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.279 12.485 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -2.061 13.505 -6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.978 12.354 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.382 11.880 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.731 13.221 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.146 11.583 -8.472 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.862 11.847 -8.085 1.00 0.00 H new ATOM 1097 N THR A 90 -4.071 7.487 -6.748 1.00 0.00 N ATOM 1098 CA THR A 90 -3.902 6.037 -6.588 1.00 0.00 C ATOM 1099 C THR A 90 -2.399 5.691 -6.501 1.00 0.00 C ATOM 1100 O THR A 90 -1.572 6.299 -7.188 1.00 0.00 O ATOM 1101 CB THR A 90 -4.560 5.266 -7.780 1.00 0.00 C ATOM 1102 OG1 THR A 90 -5.922 5.699 -7.953 1.00 0.00 O ATOM 1103 CG2 THR A 90 -4.544 3.736 -7.575 1.00 0.00 C ATOM 0 H THR A 90 -3.447 7.891 -7.446 1.00 0.00 H new ATOM 0 HA THR A 90 -4.397 5.731 -5.666 1.00 0.00 H new ATOM 0 HB THR A 90 -3.969 5.492 -8.668 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.327 5.214 -8.702 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.012 3.249 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.514 3.392 -7.481 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.094 3.485 -6.668 1.00 0.00 H new ATOM 1111 N VAL A 91 -2.073 4.710 -5.642 1.00 0.00 N ATOM 1112 CA VAL A 91 -0.707 4.196 -5.431 1.00 0.00 C ATOM 1113 C VAL A 91 -0.594 2.810 -6.088 1.00 0.00 C ATOM 1114 O VAL A 91 -1.601 2.091 -6.198 1.00 0.00 O ATOM 1115 CB VAL A 91 -0.386 4.067 -3.888 1.00 0.00 C ATOM 1116 CG1 VAL A 91 1.134 3.943 -3.631 1.00 0.00 C ATOM 1117 CG2 VAL A 91 -0.990 5.239 -3.089 1.00 0.00 C ATOM 0 H VAL A 91 -2.768 4.241 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 91 0.005 4.891 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.854 3.148 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.316 3.856 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.517 3.057 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.641 4.828 -4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.751 5.120 -2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.574 6.179 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.072 5.248 -3.218 1.00 0.00 H new ATOM 1127 N HIS A 92 0.619 2.432 -6.515 1.00 0.00 N ATOM 1128 CA HIS A 92 0.863 1.096 -7.097 1.00 0.00 C ATOM 1129 C HIS A 92 1.564 0.203 -6.059 1.00 0.00 C ATOM 1130 O HIS A 92 2.745 0.387 -5.766 1.00 0.00 O ATOM 1131 CB HIS A 92 1.701 1.208 -8.399 1.00 0.00 C ATOM 1132 CG HIS A 92 0.995 1.946 -9.514 1.00 0.00 C ATOM 1133 ND1 HIS A 92 0.354 1.310 -10.556 1.00 0.00 N ATOM 1134 CD2 HIS A 92 0.838 3.269 -9.746 1.00 0.00 C ATOM 1135 CE1 HIS A 92 -0.170 2.205 -11.364 1.00 0.00 C ATOM 1136 NE2 HIS A 92 0.113 3.401 -10.896 1.00 0.00 N ATOM 0 H HIS A 92 1.446 3.027 -6.471 1.00 0.00 H new ATOM 0 HA HIS A 92 -0.092 0.641 -7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 92 2.638 1.717 -8.175 1.00 0.00 H new ATOM 0 HB3 HIS A 92 1.957 0.206 -8.743 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.217 4.074 -9.134 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -0.736 1.994 -12.259 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -0.164 4.285 -11.323 1.00 0.00 H new ATOM 1145 N LEU A 93 0.814 -0.768 -5.520 1.00 0.00 N ATOM 1146 CA LEU A 93 1.316 -1.739 -4.538 1.00 0.00 C ATOM 1147 C LEU A 93 1.786 -3.013 -5.253 1.00 0.00 C ATOM 1148 O LEU A 93 1.070 -3.557 -6.102 1.00 0.00 O ATOM 1149 CB LEU A 93 0.197 -2.091 -3.535 1.00 0.00 C ATOM 1150 CG LEU A 93 0.559 -3.127 -2.419 1.00 0.00 C ATOM 1151 CD1 LEU A 93 1.470 -2.523 -1.349 1.00 0.00 C ATOM 1152 CD2 LEU A 93 -0.693 -3.735 -1.784 1.00 0.00 C ATOM 0 H LEU A 93 -0.169 -0.903 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 93 2.157 -1.299 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.130 -1.170 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.654 -2.477 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 93 1.112 -3.929 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.695 -3.277 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.397 -2.183 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.968 -1.678 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.400 -4.449 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.294 -2.944 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.278 -4.246 -2.549 1.00 0.00 H new ATOM 1164 N VAL A 94 2.986 -3.478 -4.901 1.00 0.00 N ATOM 1165 CA VAL A 94 3.571 -4.722 -5.431 1.00 0.00 C ATOM 1166 C VAL A 94 3.619 -5.775 -4.311 1.00 0.00 C ATOM 1167 O VAL A 94 4.361 -5.627 -3.328 1.00 0.00 O ATOM 1168 CB VAL A 94 5.004 -4.462 -6.040 1.00 0.00 C ATOM 1169 CG1 VAL A 94 5.731 -5.775 -6.423 1.00 0.00 C ATOM 1170 CG2 VAL A 94 4.913 -3.527 -7.272 1.00 0.00 C ATOM 0 H VAL A 94 3.590 -3.000 -4.233 1.00 0.00 H new ATOM 0 HA VAL A 94 2.946 -5.096 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 94 5.593 -3.977 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.712 -5.540 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.851 -6.397 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.143 -6.313 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.911 -3.360 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.285 -3.989 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.479 -2.573 -6.973 1.00 0.00 H new ATOM 1180 N ILE A 95 2.777 -6.809 -4.465 1.00 0.00 N ATOM 1181 CA ILE A 95 2.659 -7.914 -3.509 1.00 0.00 C ATOM 1182 C ILE A 95 3.488 -9.113 -4.010 1.00 0.00 C ATOM 1183 O ILE A 95 3.509 -9.412 -5.209 1.00 0.00 O ATOM 1184 CB ILE A 95 1.150 -8.324 -3.311 1.00 0.00 C ATOM 1185 CG1 ILE A 95 0.283 -7.072 -2.931 1.00 0.00 C ATOM 1186 CG2 ILE A 95 1.009 -9.436 -2.243 1.00 0.00 C ATOM 1187 CD1 ILE A 95 -1.186 -7.362 -2.644 1.00 0.00 C ATOM 0 H ILE A 95 2.153 -6.899 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 95 3.044 -7.591 -2.542 1.00 0.00 H new ATOM 0 HB ILE A 95 0.782 -8.722 -4.257 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.722 -6.599 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.342 -6.349 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.043 -9.698 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.570 -10.316 -2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.400 -9.078 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.698 -6.433 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.649 -7.803 -3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.263 -8.057 -1.808 1.00 0.00 H new ATOM 1199 N LYS A 96 4.159 -9.797 -3.075 1.00 0.00 N ATOM 1200 CA LYS A 96 5.093 -10.909 -3.368 1.00 0.00 C ATOM 1201 C LYS A 96 4.397 -12.284 -3.248 1.00 0.00 C ATOM 1202 O LYS A 96 5.067 -13.311 -3.063 1.00 0.00 O ATOM 1203 CB LYS A 96 6.343 -10.819 -2.422 1.00 0.00 C ATOM 1204 CG LYS A 96 7.427 -9.784 -2.835 1.00 0.00 C ATOM 1205 CD LYS A 96 6.918 -8.321 -2.892 1.00 0.00 C ATOM 1206 CE LYS A 96 8.004 -7.327 -3.316 1.00 0.00 C ATOM 1207 NZ LYS A 96 8.621 -7.696 -4.608 1.00 0.00 N ATOM 0 H LYS A 96 4.072 -9.597 -2.079 1.00 0.00 H new ATOM 0 HA LYS A 96 5.428 -10.813 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 96 5.998 -10.575 -1.417 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.808 -11.803 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.256 -9.841 -2.130 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.821 -10.058 -3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.083 -8.259 -3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.535 -8.037 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.572 -6.329 -3.393 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.775 -7.282 -2.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.211 -6.910 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.212 -8.542 -4.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.875 -7.896 -5.305 1.00 0.00 H new