USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 hydrogens (36 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 105 IMD HN3 : A 105 IMD N3 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 55 LYS NZ :NH3+ -110:sc= 0.1 (180deg=-0.823) USER MOD Set 1.2: A 67 TYR OH : rot 151:sc= 0.504 USER MOD Set 1.3: A 78 THR OG1 : rot -172:sc= 0.571 USER MOD Set 2.1: A 52 ASN : amide:sc= 0.971 K(o=0.97,f=-0.11) USER MOD Set 2.2: A 110 HEC O2A : rot -130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 154:sc= 1.23 (180deg=0.953) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= -0.335 (180deg=-1.28) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.385 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= 1.24 (180deg=0.982) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc=-0.00486 X(o=-0.0049,f=-0.43) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -1.97 K(o=-2,f=-4.5!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0295 X(o=-0.03,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 100:sc= 0.286 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -100:sc= 0.0279 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 28:sc= 0.843 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 150:sc= -0.387 (180deg=-3.06) USER MOD Single : A 70 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.45) USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= 1.19 (180deg=0.331) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 46:sc= 1.2 USER MOD Single : A 79 LYS NZ :NH3+ -130:sc=-0.00389 (180deg=-0.167) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -62:sc= 1.28 USER MOD Single : A 103 ASN : amide:sc= -0.33 K(o=-0.33,f=-2.8!) USER MOD Single : A 110 HEC O2D : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.773 -3.687 -14.531 1.00 10.00 N ATOM 2 CA GLY A 1 -4.344 -3.691 -14.684 1.00 10.00 C ATOM 3 C GLY A 1 -4.005 -5.144 -14.988 1.00 10.00 C ATOM 4 O GLY A 1 -4.841 -6.019 -14.766 1.00 10.00 O ATOM 0 H1 GLY A 1 -6.054 -2.897 -13.916 1.00 10.00 H new ATOM 0 H2 GLY A 1 -6.222 -3.577 -15.463 1.00 10.00 H new ATOM 0 H3 GLY A 1 -6.079 -4.584 -14.103 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -4.028 -3.031 -15.492 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -3.845 -3.347 -13.778 1.00 10.00 H new ATOM 10 N ASP A 2 -2.847 -5.371 -15.560 1.00 10.00 N ATOM 11 CA ASP A 2 -2.253 -6.686 -15.768 1.00 10.00 C ATOM 12 C ASP A 2 -1.723 -7.254 -14.446 1.00 10.00 C ATOM 13 O ASP A 2 -0.859 -6.651 -13.810 1.00 10.00 O ATOM 14 CB ASP A 2 -1.086 -6.608 -16.753 1.00 10.00 C ATOM 15 CG ASP A 2 -0.610 -7.991 -17.182 1.00 10.00 C ATOM 16 OD1 ASP A 2 -1.033 -8.979 -16.540 1.00 10.00 O ATOM 17 OD2 ASP A 2 0.230 -8.037 -18.102 1.00 10.00 O ATOM 0 H ASP A 2 -2.260 -4.615 -15.912 1.00 10.00 H new ATOM 0 HA ASP A 2 -3.033 -7.334 -16.169 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.391 -6.040 -17.632 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -0.259 -6.066 -16.294 1.00 10.00 H new ATOM 22 N VAL A 3 -2.196 -8.435 -14.047 1.00 10.00 N ATOM 23 CA VAL A 3 -1.664 -9.153 -12.897 1.00 10.00 C ATOM 24 C VAL A 3 -0.194 -9.527 -13.124 1.00 10.00 C ATOM 25 O VAL A 3 0.613 -9.421 -12.199 1.00 10.00 O ATOM 26 CB VAL A 3 -2.533 -10.391 -12.597 1.00 10.00 C ATOM 27 CG1 VAL A 3 -2.006 -11.181 -11.384 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.993 -9.979 -12.362 1.00 10.00 C ATOM 0 H VAL A 3 -2.961 -8.919 -14.516 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.699 -8.502 -12.023 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.480 -11.043 -13.469 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.646 -12.045 -11.206 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.989 -11.518 -11.583 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -2.010 -10.540 -10.503 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -4.592 -10.865 -12.152 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -4.046 -9.296 -11.515 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.379 -9.483 -13.253 1.00 10.00 H new ATOM 38 N GLU A 4 0.171 -9.969 -14.332 1.00 10.00 N ATOM 39 CA GLU A 4 1.538 -10.392 -14.598 1.00 10.00 C ATOM 40 C GLU A 4 2.471 -9.206 -14.418 1.00 10.00 C ATOM 41 O GLU A 4 3.353 -9.225 -13.558 1.00 10.00 O ATOM 42 CB GLU A 4 1.685 -10.974 -16.009 1.00 10.00 C ATOM 43 CG GLU A 4 1.539 -12.502 -16.013 1.00 10.00 C ATOM 44 CD GLU A 4 2.837 -13.220 -15.635 1.00 10.00 C ATOM 45 OE1 GLU A 4 3.422 -12.872 -14.583 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.237 -14.111 -16.413 1.00 10.00 O ATOM 0 H GLU A 4 -0.459 -10.041 -15.131 1.00 10.00 H new ATOM 0 HA GLU A 4 1.800 -11.180 -13.892 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.932 -10.535 -16.664 1.00 10.00 H new ATOM 0 HB3 GLU A 4 2.659 -10.701 -16.415 1.00 10.00 H new ATOM 0 HG2 GLU A 4 0.753 -12.790 -15.315 1.00 10.00 H new ATOM 0 HG3 GLU A 4 1.222 -12.830 -17.003 1.00 10.00 H new ATOM 53 N LYS A 5 2.272 -8.151 -15.214 1.00 10.00 N ATOM 54 CA LYS A 5 3.092 -6.967 -15.052 1.00 10.00 C ATOM 55 C LYS A 5 2.999 -6.474 -13.618 1.00 10.00 C ATOM 56 O LYS A 5 4.029 -6.165 -13.041 1.00 10.00 O ATOM 57 CB LYS A 5 2.786 -5.877 -16.071 1.00 10.00 C ATOM 58 CG LYS A 5 3.400 -6.206 -17.436 1.00 10.00 C ATOM 59 CD LYS A 5 4.232 -5.045 -18.008 1.00 10.00 C ATOM 60 CE LYS A 5 5.687 -5.046 -17.502 1.00 10.00 C ATOM 61 NZ LYS A 5 6.584 -4.308 -18.419 1.00 10.00 N ATOM 0 H LYS A 5 1.570 -8.099 -15.953 1.00 10.00 H new ATOM 0 HA LYS A 5 4.126 -7.246 -15.256 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.707 -5.763 -16.173 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.175 -4.923 -15.715 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.032 -7.089 -17.342 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.604 -6.457 -18.137 1.00 10.00 H new ATOM 0 HD2 LYS A 5 4.231 -5.105 -19.096 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.760 -4.100 -17.740 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.728 -4.595 -16.511 1.00 10.00 H new ATOM 0 HE3 LYS A 5 6.036 -6.073 -17.399 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.555 -4.329 -18.047 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 6.563 -4.754 -19.358 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 6.265 -3.321 -18.497 1.00 10.00 H new ATOM 75 N GLY A 6 1.813 -6.466 -13.011 1.00 10.00 N ATOM 76 CA GLY A 6 1.651 -6.104 -11.617 1.00 10.00 C ATOM 77 C GLY A 6 2.607 -6.842 -10.677 1.00 10.00 C ATOM 78 O GLY A 6 3.213 -6.222 -9.799 1.00 10.00 O ATOM 0 H GLY A 6 0.941 -6.712 -13.479 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.805 -5.030 -11.509 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.625 -6.311 -11.314 1.00 10.00 H new ATOM 82 N LYS A 7 2.741 -8.161 -10.856 1.00 10.00 N ATOM 83 CA LYS A 7 3.614 -8.999 -10.058 1.00 10.00 C ATOM 84 C LYS A 7 5.017 -8.433 -10.197 1.00 10.00 C ATOM 85 O LYS A 7 5.692 -8.153 -9.207 1.00 10.00 O ATOM 86 CB LYS A 7 3.499 -10.462 -10.536 1.00 10.00 C ATOM 87 CG LYS A 7 4.389 -11.441 -9.755 1.00 10.00 C ATOM 88 CD LYS A 7 4.417 -12.826 -10.433 1.00 10.00 C ATOM 89 CE LYS A 7 3.745 -13.907 -9.573 1.00 10.00 C ATOM 90 NZ LYS A 7 3.814 -15.241 -10.209 1.00 10.00 N ATOM 0 H LYS A 7 2.232 -8.676 -11.575 1.00 10.00 H new ATOM 0 HA LYS A 7 3.340 -9.002 -9.003 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.461 -10.782 -10.450 1.00 10.00 H new ATOM 0 HB3 LYS A 7 3.761 -10.511 -11.593 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.402 -11.044 -9.690 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.019 -11.539 -8.735 1.00 10.00 H new ATOM 0 HD2 LYS A 7 3.913 -12.767 -11.398 1.00 10.00 H new ATOM 0 HD3 LYS A 7 5.450 -13.111 -10.630 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.227 -13.945 -8.596 1.00 10.00 H new ATOM 0 HE3 LYS A 7 2.702 -13.639 -9.403 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.349 -15.942 -9.597 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.332 -15.212 -11.130 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 4.809 -15.508 -10.348 1.00 10.00 H new ATOM 104 N LYS A 8 5.455 -8.243 -11.440 1.00 10.00 N ATOM 105 CA LYS A 8 6.819 -7.818 -11.674 1.00 10.00 C ATOM 106 C LYS A 8 7.036 -6.395 -11.155 1.00 10.00 C ATOM 107 O LYS A 8 8.031 -6.128 -10.495 1.00 10.00 O ATOM 108 CB LYS A 8 7.238 -7.998 -13.139 1.00 10.00 C ATOM 109 CG LYS A 8 6.739 -9.305 -13.784 1.00 10.00 C ATOM 110 CD LYS A 8 6.933 -10.583 -12.945 1.00 10.00 C ATOM 111 CE LYS A 8 8.373 -11.113 -13.003 1.00 10.00 C ATOM 112 NZ LYS A 8 8.491 -12.279 -13.903 1.00 10.00 N ATOM 0 H LYS A 8 4.893 -8.375 -12.281 1.00 10.00 H new ATOM 0 HA LYS A 8 7.481 -8.470 -11.104 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.863 -7.154 -13.718 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.326 -7.968 -13.200 1.00 10.00 H new ATOM 0 HG2 LYS A 8 5.677 -9.196 -14.006 1.00 10.00 H new ATOM 0 HG3 LYS A 8 7.252 -9.437 -14.737 1.00 10.00 H new ATOM 0 HD2 LYS A 8 6.667 -10.377 -11.908 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.251 -11.355 -13.302 1.00 10.00 H new ATOM 0 HE2 LYS A 8 9.039 -10.321 -13.345 1.00 10.00 H new ATOM 0 HE3 LYS A 8 8.698 -11.392 -12.001 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 9.477 -12.609 -13.916 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 7.875 -13.044 -13.562 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 8.204 -12.006 -14.865 1.00 10.00 H new ATOM 126 N ILE A 9 6.099 -5.484 -11.410 1.00 10.00 N ATOM 127 CA ILE A 9 6.133 -4.118 -10.936 1.00 10.00 C ATOM 128 C ILE A 9 6.322 -4.133 -9.427 1.00 10.00 C ATOM 129 O ILE A 9 7.290 -3.561 -8.944 1.00 10.00 O ATOM 130 CB ILE A 9 4.856 -3.373 -11.370 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.839 -3.128 -12.889 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.752 -2.017 -10.668 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.437 -2.741 -13.367 1.00 10.00 C ATOM 0 H ILE A 9 5.273 -5.691 -11.971 1.00 10.00 H new ATOM 0 HA ILE A 9 6.970 -3.577 -11.376 1.00 10.00 H new ATOM 0 HB ILE A 9 4.012 -4.005 -11.092 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.544 -2.336 -13.141 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.169 -4.027 -13.410 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.843 -1.509 -10.990 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.721 -2.167 -9.589 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.618 -1.407 -10.924 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.453 -2.574 -14.444 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.739 -3.545 -13.135 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.120 -1.828 -12.863 1.00 10.00 H new ATOM 145 N PHE A 10 5.431 -4.786 -8.679 1.00 10.00 N ATOM 146 CA PHE A 10 5.563 -4.884 -7.231 1.00 10.00 C ATOM 147 C PHE A 10 7.004 -5.249 -6.834 1.00 10.00 C ATOM 148 O PHE A 10 7.611 -4.594 -5.985 1.00 10.00 O ATOM 149 CB PHE A 10 4.544 -5.901 -6.713 1.00 10.00 C ATOM 150 CG PHE A 10 4.649 -6.137 -5.226 1.00 10.00 C ATOM 151 CD1 PHE A 10 4.055 -5.235 -4.325 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.427 -7.205 -4.744 1.00 10.00 C ATOM 153 CE1 PHE A 10 4.207 -5.423 -2.944 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.576 -7.395 -3.363 1.00 10.00 C ATOM 155 CZ PHE A 10 4.942 -6.519 -2.469 1.00 10.00 C ATOM 0 H PHE A 10 4.608 -5.255 -9.057 1.00 10.00 H new ATOM 0 HA PHE A 10 5.355 -3.918 -6.771 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.539 -5.552 -6.950 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.685 -6.847 -7.236 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.482 -4.398 -4.697 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.909 -7.878 -5.437 1.00 10.00 H new ATOM 0 HE1 PHE A 10 3.760 -4.727 -2.249 1.00 10.00 H new ATOM 0 HE2 PHE A 10 6.176 -8.212 -2.989 1.00 10.00 H new ATOM 0 HZ PHE A 10 5.021 -6.690 -1.406 1.00 10.00 H new ATOM 165 N VAL A 11 7.565 -6.254 -7.513 1.00 10.00 N ATOM 166 CA VAL A 11 8.920 -6.750 -7.288 1.00 10.00 C ATOM 167 C VAL A 11 10.002 -5.761 -7.757 1.00 10.00 C ATOM 168 O VAL A 11 11.123 -5.773 -7.255 1.00 10.00 O ATOM 169 CB VAL A 11 9.067 -8.127 -7.957 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.473 -8.718 -7.795 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.073 -9.114 -7.339 1.00 10.00 C ATOM 0 H VAL A 11 7.074 -6.756 -8.253 1.00 10.00 H new ATOM 0 HA VAL A 11 9.075 -6.854 -6.214 1.00 10.00 H new ATOM 0 HB VAL A 11 8.874 -7.976 -9.019 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.518 -9.690 -8.287 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.204 -8.048 -8.248 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.698 -8.837 -6.735 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.182 -10.087 -7.817 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.271 -9.210 -6.271 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.057 -8.748 -7.488 1.00 10.00 H new ATOM 181 N GLN A 12 9.697 -4.918 -8.740 1.00 10.00 N ATOM 182 CA GLN A 12 10.615 -3.933 -9.300 1.00 10.00 C ATOM 183 C GLN A 12 10.428 -2.562 -8.649 1.00 10.00 C ATOM 184 O GLN A 12 11.156 -1.626 -8.981 1.00 10.00 O ATOM 185 CB GLN A 12 10.381 -3.844 -10.809 1.00 10.00 C ATOM 186 CG GLN A 12 10.714 -5.189 -11.479 1.00 10.00 C ATOM 187 CD GLN A 12 12.206 -5.336 -11.749 1.00 10.00 C ATOM 188 OE1 GLN A 12 12.702 -4.859 -12.764 1.00 10.00 O ATOM 189 NE2 GLN A 12 12.931 -5.997 -10.851 1.00 10.00 N ATOM 0 H GLN A 12 8.777 -4.902 -9.181 1.00 10.00 H new ATOM 0 HA GLN A 12 11.639 -4.249 -9.100 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.343 -3.577 -11.008 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.000 -3.054 -11.234 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.379 -6.006 -10.840 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.165 -5.273 -12.417 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.485 -6.381 -10.018 1.00 10.00 H new ATOM 0 HE22 GLN A 12 13.933 -6.120 -10.996 1.00 10.00 H new ATOM 198 N LYS A 13 9.428 -2.416 -7.774 1.00 10.00 N ATOM 199 CA LYS A 13 9.082 -1.150 -7.159 1.00 10.00 C ATOM 200 C LYS A 13 9.222 -1.164 -5.650 1.00 10.00 C ATOM 201 O LYS A 13 9.793 -0.217 -5.111 1.00 10.00 O ATOM 202 CB LYS A 13 7.646 -0.757 -7.497 1.00 10.00 C ATOM 203 CG LYS A 13 7.464 -0.452 -8.981 1.00 10.00 C ATOM 204 CD LYS A 13 8.297 0.722 -9.511 1.00 10.00 C ATOM 205 CE LYS A 13 8.329 2.005 -8.648 1.00 10.00 C ATOM 206 NZ LYS A 13 9.472 2.079 -7.708 1.00 10.00 N ATOM 0 H LYS A 13 8.834 -3.190 -7.475 1.00 10.00 H new ATOM 0 HA LYS A 13 9.788 -0.425 -7.565 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.973 -1.565 -7.209 1.00 10.00 H new ATOM 0 HB3 LYS A 13 7.363 0.118 -6.911 1.00 10.00 H new ATOM 0 HG2 LYS A 13 7.717 -1.345 -9.553 1.00 10.00 H new ATOM 0 HG3 LYS A 13 6.410 -0.243 -9.166 1.00 10.00 H new ATOM 0 HD2 LYS A 13 9.322 0.377 -9.644 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.919 0.987 -10.499 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.360 2.872 -9.308 1.00 10.00 H new ATOM 0 HE3 LYS A 13 7.401 2.070 -8.079 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 9.710 3.075 -7.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 9.215 1.617 -6.812 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 10.294 1.596 -8.123 1.00 10.00 H new ATOM 220 N CYS A 14 8.609 -2.151 -4.993 1.00 10.00 N ATOM 221 CA CYS A 14 8.528 -2.230 -3.546 1.00 10.00 C ATOM 222 C CYS A 14 9.412 -3.407 -3.105 1.00 10.00 C ATOM 223 O CYS A 14 10.543 -3.188 -2.678 1.00 10.00 O ATOM 224 CB CYS A 14 7.078 -2.282 -3.060 1.00 10.00 C ATOM 225 SG CYS A 14 5.767 -1.911 -4.309 1.00 10.00 S ATOM 0 H CYS A 14 8.149 -2.928 -5.467 1.00 10.00 H new ATOM 0 HA CYS A 14 8.911 -1.327 -3.071 1.00 10.00 H new ATOM 0 HB2 CYS A 14 6.891 -3.277 -2.656 1.00 10.00 H new ATOM 0 HB3 CYS A 14 6.971 -1.578 -2.235 1.00 10.00 H new ATOM 230 N ALA A 15 8.929 -4.644 -3.268 1.00 10.00 N ATOM 231 CA ALA A 15 9.624 -5.907 -3.001 1.00 10.00 C ATOM 232 C ALA A 15 10.345 -5.986 -1.653 1.00 10.00 C ATOM 233 O ALA A 15 9.860 -6.600 -0.709 1.00 10.00 O ATOM 234 CB ALA A 15 10.565 -6.254 -4.162 1.00 10.00 C ATOM 0 H ALA A 15 7.981 -4.799 -3.612 1.00 10.00 H new ATOM 0 HA ALA A 15 8.838 -6.659 -2.926 1.00 10.00 H new ATOM 0 HB1 ALA A 15 11.074 -7.194 -3.949 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.988 -6.354 -5.081 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.303 -5.461 -4.282 1.00 10.00 H new ATOM 240 N GLN A 16 11.516 -5.368 -1.530 1.00 10.00 N ATOM 241 CA GLN A 16 12.305 -5.330 -0.313 1.00 10.00 C ATOM 242 C GLN A 16 11.704 -4.294 0.650 1.00 10.00 C ATOM 243 O GLN A 16 12.409 -3.456 1.203 1.00 10.00 O ATOM 244 CB GLN A 16 13.771 -5.070 -0.717 1.00 10.00 C ATOM 245 CG GLN A 16 14.656 -6.284 -0.426 1.00 10.00 C ATOM 246 CD GLN A 16 15.040 -6.370 1.049 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.617 -5.445 1.609 1.00 10.00 O ATOM 248 NE2 GLN A 16 14.739 -7.483 1.711 1.00 10.00 N ATOM 0 H GLN A 16 11.952 -4.865 -2.303 1.00 10.00 H new ATOM 0 HA GLN A 16 12.287 -6.272 0.234 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.820 -4.829 -1.779 1.00 10.00 H new ATOM 0 HB3 GLN A 16 14.151 -4.203 -0.176 1.00 10.00 H new ATOM 0 HG2 GLN A 16 14.131 -7.194 -0.718 1.00 10.00 H new ATOM 0 HG3 GLN A 16 15.559 -6.228 -1.033 1.00 10.00 H new ATOM 0 HE21 GLN A 16 14.259 -8.246 1.234 1.00 10.00 H new ATOM 0 HE22 GLN A 16 14.988 -7.574 2.696 1.00 10.00 H new ATOM 257 N CYS A 17 10.387 -4.379 0.872 1.00 10.00 N ATOM 258 CA CYS A 17 9.665 -3.582 1.855 1.00 10.00 C ATOM 259 C CYS A 17 8.276 -4.161 2.132 1.00 10.00 C ATOM 260 O CYS A 17 7.828 -4.124 3.275 1.00 10.00 O ATOM 261 CB CYS A 17 9.572 -2.117 1.477 1.00 10.00 C ATOM 262 SG CYS A 17 9.392 -1.188 3.033 1.00 10.00 S ATOM 0 H CYS A 17 9.785 -5.021 0.357 1.00 10.00 H new ATOM 0 HA CYS A 17 10.250 -3.633 2.773 1.00 10.00 H new ATOM 0 HB2 CYS A 17 10.464 -1.799 0.937 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.721 -1.940 0.819 1.00 10.00 H new ATOM 267 N HIS A 18 7.590 -4.689 1.109 1.00 10.00 N ATOM 268 CA HIS A 18 6.299 -5.335 1.265 1.00 10.00 C ATOM 269 C HIS A 18 6.372 -6.727 0.671 1.00 10.00 C ATOM 270 O HIS A 18 7.219 -7.009 -0.166 1.00 10.00 O ATOM 271 CB HIS A 18 5.229 -4.541 0.527 1.00 10.00 C ATOM 272 CG HIS A 18 4.772 -3.320 1.269 1.00 10.00 C ATOM 273 ND1 HIS A 18 4.056 -3.278 2.448 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.807 -2.058 0.757 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.659 -2.001 2.614 1.00 10.00 C ATOM 276 NE2 HIS A 18 4.102 -1.215 1.616 1.00 10.00 N ATOM 0 H HIS A 18 7.926 -4.675 0.146 1.00 10.00 H new ATOM 0 HA HIS A 18 6.046 -5.386 2.324 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.617 -4.241 -0.446 1.00 10.00 H new ATOM 0 HB3 HIS A 18 4.371 -5.187 0.343 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.864 -4.061 3.072 1.00 10.00 H new ATOM 0 HD2 HIS A 18 5.297 -1.761 -0.158 1.00 10.00 H new ATOM 0 HE1 HIS A 18 3.061 -1.653 3.443 1.00 10.00 H new ATOM 284 N THR A 19 5.442 -7.584 1.083 1.00 10.00 N ATOM 285 CA THR A 19 5.423 -8.985 0.700 1.00 10.00 C ATOM 286 C THR A 19 4.151 -9.324 -0.065 1.00 10.00 C ATOM 287 O THR A 19 4.206 -10.000 -1.086 1.00 10.00 O ATOM 288 CB THR A 19 5.552 -9.822 1.967 1.00 10.00 C ATOM 289 OG1 THR A 19 6.626 -9.358 2.768 1.00 10.00 O ATOM 290 CG2 THR A 19 5.820 -11.270 1.584 1.00 10.00 C ATOM 0 H THR A 19 4.674 -7.318 1.699 1.00 10.00 H new ATOM 0 HA THR A 19 6.256 -9.202 0.031 1.00 10.00 H new ATOM 0 HB THR A 19 4.624 -9.740 2.533 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.280 -10.078 2.887 1.00 10.00 H new ATOM 0 HG21 THR A 19 5.913 -11.874 2.487 1.00 10.00 H new ATOM 0 HG22 THR A 19 4.994 -11.645 0.980 1.00 10.00 H new ATOM 0 HG23 THR A 19 6.745 -11.329 1.011 1.00 10.00 H new ATOM 298 N VAL A 20 3.017 -8.865 0.464 1.00 10.00 N ATOM 299 CA VAL A 20 1.694 -9.069 -0.090 1.00 10.00 C ATOM 300 C VAL A 20 1.352 -10.552 -0.197 1.00 10.00 C ATOM 301 O VAL A 20 0.696 -10.969 -1.147 1.00 10.00 O ATOM 302 CB VAL A 20 1.495 -8.309 -1.413 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.673 -6.800 -1.255 1.00 10.00 C ATOM 304 CG2 VAL A 20 2.200 -8.792 -2.688 1.00 10.00 C ATOM 0 H VAL A 20 3.003 -8.319 1.326 1.00 10.00 H new ATOM 0 HA VAL A 20 0.978 -8.638 0.610 1.00 10.00 H new ATOM 0 HB VAL A 20 0.456 -8.573 -1.608 1.00 10.00 H new ATOM 0 HG11 VAL A 20 1.522 -6.313 -2.218 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.945 -6.421 -0.538 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.680 -6.588 -0.895 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.942 -8.134 -3.518 1.00 10.00 H new ATOM 0 HG22 VAL A 20 3.279 -8.777 -2.535 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.881 -9.809 -2.918 1.00 10.00 H new ATOM 314 N GLU A 21 1.795 -11.345 0.782 1.00 10.00 N ATOM 315 CA GLU A 21 1.661 -12.788 0.727 1.00 10.00 C ATOM 316 C GLU A 21 1.431 -13.335 2.132 1.00 10.00 C ATOM 317 O GLU A 21 1.518 -12.601 3.117 1.00 10.00 O ATOM 318 CB GLU A 21 2.850 -13.389 -0.044 1.00 10.00 C ATOM 319 CG GLU A 21 3.962 -14.013 0.812 1.00 10.00 C ATOM 320 CD GLU A 21 3.816 -15.520 0.990 1.00 10.00 C ATOM 321 OE1 GLU A 21 3.440 -16.181 0.001 1.00 10.00 O ATOM 322 OE2 GLU A 21 4.045 -15.983 2.124 1.00 10.00 O ATOM 0 H GLU A 21 2.252 -11.000 1.626 1.00 10.00 H new ATOM 0 HA GLU A 21 0.780 -13.091 0.162 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.469 -14.153 -0.722 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.290 -12.606 -0.661 1.00 10.00 H new ATOM 0 HG2 GLU A 21 4.927 -13.801 0.352 1.00 10.00 H new ATOM 0 HG3 GLU A 21 3.965 -13.537 1.793 1.00 10.00 H new ATOM 329 N LYS A 22 1.160 -14.629 2.254 1.00 10.00 N ATOM 330 CA LYS A 22 0.817 -15.252 3.523 1.00 10.00 C ATOM 331 C LYS A 22 2.061 -15.538 4.386 1.00 10.00 C ATOM 332 O LYS A 22 2.155 -16.585 5.024 1.00 10.00 O ATOM 333 CB LYS A 22 -0.073 -16.483 3.268 1.00 10.00 C ATOM 334 CG LYS A 22 0.584 -17.559 2.391 1.00 10.00 C ATOM 335 CD LYS A 22 0.427 -17.365 0.870 1.00 10.00 C ATOM 336 CE LYS A 22 -0.356 -18.484 0.166 1.00 10.00 C ATOM 337 NZ LYS A 22 -1.797 -18.170 0.084 1.00 10.00 N ATOM 0 H LYS A 22 1.173 -15.279 1.468 1.00 10.00 H new ATOM 0 HA LYS A 22 0.233 -14.554 4.123 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -0.345 -16.926 4.226 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -0.998 -16.157 2.793 1.00 10.00 H new ATOM 0 HG2 LYS A 22 1.648 -17.595 2.627 1.00 10.00 H new ATOM 0 HG3 LYS A 22 0.165 -18.528 2.661 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -0.076 -16.415 0.687 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.418 -17.293 0.421 1.00 10.00 H new ATOM 0 HE2 LYS A 22 0.043 -18.632 -0.838 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.217 -19.421 0.705 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -2.330 -19.038 -0.124 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -2.118 -17.775 0.991 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -1.958 -17.475 -0.673 1.00 10.00 H new ATOM 351 N GLY A 23 2.991 -14.581 4.444 1.00 10.00 N ATOM 352 CA GLY A 23 4.270 -14.719 5.127 1.00 10.00 C ATOM 353 C GLY A 23 5.095 -13.443 5.028 1.00 10.00 C ATOM 354 O GLY A 23 6.324 -13.493 4.988 1.00 10.00 O ATOM 0 H GLY A 23 2.868 -13.669 4.005 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.099 -14.963 6.176 1.00 10.00 H new ATOM 0 HA3 GLY A 23 4.828 -15.549 4.693 1.00 10.00 H new ATOM 358 N GLY A 24 4.434 -12.282 5.014 1.00 10.00 N ATOM 359 CA GLY A 24 5.147 -11.022 5.006 1.00 10.00 C ATOM 360 C GLY A 24 5.771 -10.756 6.360 1.00 10.00 C ATOM 361 O GLY A 24 5.099 -10.761 7.391 1.00 10.00 O ATOM 0 H GLY A 24 3.417 -12.198 5.008 1.00 10.00 H new ATOM 0 HA2 GLY A 24 5.922 -11.041 4.240 1.00 10.00 H new ATOM 0 HA3 GLY A 24 4.464 -10.213 4.749 1.00 10.00 H new ATOM 365 N LYS A 25 7.079 -10.532 6.340 1.00 10.00 N ATOM 366 CA LYS A 25 7.840 -10.226 7.528 1.00 10.00 C ATOM 367 C LYS A 25 7.579 -8.769 7.911 1.00 10.00 C ATOM 368 O LYS A 25 6.972 -8.013 7.154 1.00 10.00 O ATOM 369 CB LYS A 25 9.317 -10.544 7.269 1.00 10.00 C ATOM 370 CG LYS A 25 9.436 -11.959 6.674 1.00 10.00 C ATOM 371 CD LYS A 25 10.880 -12.485 6.675 1.00 10.00 C ATOM 372 CE LYS A 25 11.096 -13.543 7.771 1.00 10.00 C ATOM 373 NZ LYS A 25 12.260 -14.409 7.487 1.00 10.00 N ATOM 0 H LYS A 25 7.639 -10.560 5.488 1.00 10.00 H new ATOM 0 HA LYS A 25 7.536 -10.837 8.378 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.744 -9.812 6.584 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.883 -10.479 8.198 1.00 10.00 H new ATOM 0 HG2 LYS A 25 8.805 -12.642 7.243 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.057 -11.952 5.652 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.111 -12.916 5.701 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.570 -11.655 6.828 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.240 -13.046 8.730 1.00 10.00 H new ATOM 0 HE3 LYS A 25 10.201 -14.158 7.862 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 12.368 -15.107 8.251 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 12.112 -14.904 6.584 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.119 -13.826 7.426 1.00 10.00 H new ATOM 387 N HIS A 26 8.001 -8.382 9.110 1.00 10.00 N ATOM 388 CA HIS A 26 7.713 -7.070 9.667 1.00 10.00 C ATOM 389 C HIS A 26 9.010 -6.269 9.676 1.00 10.00 C ATOM 390 O HIS A 26 9.635 -6.119 10.722 1.00 10.00 O ATOM 391 CB HIS A 26 7.087 -7.261 11.055 1.00 10.00 C ATOM 392 CG HIS A 26 5.843 -8.122 11.029 1.00 10.00 C ATOM 393 ND1 HIS A 26 5.056 -8.388 9.927 1.00 10.00 N ATOM 394 CD2 HIS A 26 5.362 -8.877 12.067 1.00 10.00 C ATOM 395 CE1 HIS A 26 4.120 -9.277 10.300 1.00 10.00 C ATOM 396 NE2 HIS A 26 4.266 -9.604 11.594 1.00 10.00 N ATOM 0 H HIS A 26 8.557 -8.976 9.725 1.00 10.00 H new ATOM 0 HA HIS A 26 6.992 -6.506 9.074 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.822 -7.714 11.720 1.00 10.00 H new ATOM 0 HB3 HIS A 26 6.838 -6.285 11.473 1.00 10.00 H new ATOM 0 HD2 HIS A 26 5.759 -8.905 13.071 1.00 10.00 H new ATOM 0 HE1 HIS A 26 3.355 -9.674 9.649 1.00 10.00 H new ATOM 0 HE2 HIS A 26 3.690 -10.255 12.127 1.00 10.00 H new ATOM 404 N LYS A 27 9.439 -5.807 8.492 1.00 10.00 N ATOM 405 CA LYS A 27 10.659 -5.021 8.351 1.00 10.00 C ATOM 406 C LYS A 27 10.361 -3.519 8.426 1.00 10.00 C ATOM 407 O LYS A 27 10.591 -2.906 9.465 1.00 10.00 O ATOM 408 CB LYS A 27 11.470 -5.434 7.112 1.00 10.00 C ATOM 409 CG LYS A 27 12.292 -6.693 7.434 1.00 10.00 C ATOM 410 CD LYS A 27 13.359 -6.994 6.370 1.00 10.00 C ATOM 411 CE LYS A 27 14.494 -7.811 7.015 1.00 10.00 C ATOM 412 NZ LYS A 27 15.392 -8.432 6.021 1.00 10.00 N ATOM 0 H LYS A 27 8.948 -5.970 7.613 1.00 10.00 H new ATOM 0 HA LYS A 27 11.306 -5.242 9.200 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.801 -5.628 6.274 1.00 10.00 H new ATOM 0 HB3 LYS A 27 12.132 -4.622 6.810 1.00 10.00 H new ATOM 0 HG2 LYS A 27 12.776 -6.568 8.403 1.00 10.00 H new ATOM 0 HG3 LYS A 27 11.621 -7.547 7.521 1.00 10.00 H new ATOM 0 HD2 LYS A 27 12.919 -7.550 5.542 1.00 10.00 H new ATOM 0 HD3 LYS A 27 13.752 -6.065 5.957 1.00 10.00 H new ATOM 0 HE2 LYS A 27 15.077 -7.161 7.668 1.00 10.00 H new ATOM 0 HE3 LYS A 27 14.062 -8.590 7.644 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 16.135 -8.968 6.512 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 14.845 -9.075 5.413 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 15.829 -7.691 5.437 1.00 10.00 H new ATOM 426 N THR A 28 9.851 -2.926 7.342 1.00 10.00 N ATOM 427 CA THR A 28 9.402 -1.535 7.336 1.00 10.00 C ATOM 428 C THR A 28 7.914 -1.484 6.994 1.00 10.00 C ATOM 429 O THR A 28 7.118 -1.056 7.827 1.00 10.00 O ATOM 430 CB THR A 28 10.309 -0.649 6.463 1.00 10.00 C ATOM 431 OG1 THR A 28 11.618 -0.649 6.995 1.00 10.00 O ATOM 432 CG2 THR A 28 9.809 0.794 6.375 1.00 10.00 C ATOM 0 H THR A 28 9.739 -3.399 6.445 1.00 10.00 H new ATOM 0 HA THR A 28 9.500 -1.102 8.331 1.00 10.00 H new ATOM 0 HB THR A 28 10.297 -1.067 5.456 1.00 10.00 H new ATOM 0 HG1 THR A 28 12.197 -0.087 6.439 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.485 1.376 5.748 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.809 0.807 5.941 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.776 1.229 7.374 1.00 10.00 H new ATOM 440 N GLY A 29 7.515 -1.914 5.794 1.00 10.00 N ATOM 441 CA GLY A 29 6.106 -1.969 5.441 1.00 10.00 C ATOM 442 C GLY A 29 5.481 -3.240 5.997 1.00 10.00 C ATOM 443 O GLY A 29 6.141 -4.280 6.005 1.00 10.00 O ATOM 0 H GLY A 29 8.149 -2.226 5.058 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.589 -1.096 5.838 1.00 10.00 H new ATOM 0 HA3 GLY A 29 5.993 -1.942 4.357 1.00 10.00 H new ATOM 447 N PRO A 30 4.230 -3.195 6.481 1.00 10.00 N ATOM 448 CA PRO A 30 3.599 -4.398 6.964 1.00 10.00 C ATOM 449 C PRO A 30 3.241 -5.331 5.818 1.00 10.00 C ATOM 450 O PRO A 30 3.185 -4.943 4.645 1.00 10.00 O ATOM 451 CB PRO A 30 2.388 -3.946 7.789 1.00 10.00 C ATOM 452 CG PRO A 30 2.050 -2.556 7.241 1.00 10.00 C ATOM 453 CD PRO A 30 3.382 -2.030 6.696 1.00 10.00 C ATOM 0 HA PRO A 30 4.269 -4.986 7.592 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.550 -4.633 7.673 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.624 -3.907 8.852 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.293 -2.610 6.458 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.655 -1.906 8.022 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.231 -1.483 5.765 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.844 -1.339 7.401 1.00 10.00 H new ATOM 461 N ASN A 31 3.037 -6.594 6.201 1.00 10.00 N ATOM 462 CA ASN A 31 2.638 -7.639 5.290 1.00 10.00 C ATOM 463 C ASN A 31 1.308 -7.247 4.693 1.00 10.00 C ATOM 464 O ASN A 31 0.300 -7.284 5.399 1.00 10.00 O ATOM 465 CB ASN A 31 2.443 -8.966 6.023 1.00 10.00 C ATOM 466 CG ASN A 31 2.015 -10.037 5.020 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.156 -9.852 3.811 1.00 10.00 O ATOM 468 ND2 ASN A 31 1.527 -11.176 5.496 1.00 10.00 N ATOM 0 H ASN A 31 3.149 -6.910 7.164 1.00 10.00 H new ATOM 0 HA ASN A 31 3.412 -7.762 4.533 1.00 10.00 H new ATOM 0 HB2 ASN A 31 3.369 -9.262 6.516 1.00 10.00 H new ATOM 0 HB3 ASN A 31 1.688 -8.857 6.801 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.259 -11.923 4.855 1.00 10.00 H new ATOM 0 HD22 ASN A 31 1.420 -11.304 6.502 1.00 10.00 H new ATOM 475 N LEU A 32 1.287 -6.886 3.412 1.00 10.00 N ATOM 476 CA LEU A 32 0.074 -6.358 2.827 1.00 10.00 C ATOM 477 C LEU A 32 -0.930 -7.473 2.470 1.00 10.00 C ATOM 478 O LEU A 32 -1.515 -7.484 1.393 1.00 10.00 O ATOM 479 CB LEU A 32 0.409 -5.374 1.697 1.00 10.00 C ATOM 480 CG LEU A 32 0.399 -3.916 2.166 1.00 10.00 C ATOM 481 CD1 LEU A 32 1.061 -3.053 1.090 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.018 -3.408 2.341 1.00 10.00 C ATOM 0 H LEU A 32 2.082 -6.950 2.777 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.462 -5.768 3.570 1.00 10.00 H new ATOM 0 HB2 LEU A 32 1.391 -5.614 1.290 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -0.311 -5.497 0.888 1.00 10.00 H new ATOM 0 HG LEU A 32 0.927 -3.860 3.118 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.062 -2.011 1.409 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.087 -3.386 0.937 1.00 10.00 H new ATOM 0 HD13 LEU A 32 0.506 -3.146 0.156 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -0.994 -2.371 2.674 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -1.547 -3.471 1.390 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.533 -4.016 3.084 1.00 10.00 H new ATOM 494 N HIS A 33 -1.136 -8.432 3.372 1.00 10.00 N ATOM 495 CA HIS A 33 -1.906 -9.641 3.143 1.00 10.00 C ATOM 496 C HIS A 33 -3.353 -9.380 3.556 1.00 10.00 C ATOM 497 O HIS A 33 -3.659 -9.218 4.736 1.00 10.00 O ATOM 498 CB HIS A 33 -1.243 -10.779 3.918 1.00 10.00 C ATOM 499 CG HIS A 33 -1.917 -12.117 3.788 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.110 -12.848 2.634 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.396 -12.858 4.832 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.762 -13.970 2.978 1.00 10.00 C ATOM 503 NE2 HIS A 33 -2.944 -14.032 4.309 1.00 10.00 N ATOM 0 H HIS A 33 -0.754 -8.380 4.316 1.00 10.00 H new ATOM 0 HA HIS A 33 -1.925 -9.932 2.093 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.211 -10.875 3.580 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.209 -10.508 4.973 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.358 -12.584 5.876 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -3.096 -14.723 2.279 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.392 -14.785 4.832 1.00 10.00 H new ATOM 511 N GLY A 34 -4.235 -9.296 2.562 1.00 10.00 N ATOM 512 CA GLY A 34 -5.633 -8.950 2.726 1.00 10.00 C ATOM 513 C GLY A 34 -5.831 -7.443 2.839 1.00 10.00 C ATOM 514 O GLY A 34 -6.766 -7.002 3.498 1.00 10.00 O ATOM 0 H GLY A 34 -3.981 -9.474 1.590 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.204 -9.330 1.878 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.026 -9.437 3.619 1.00 10.00 H new ATOM 518 N LEU A 35 -4.975 -6.651 2.181 1.00 10.00 N ATOM 519 CA LEU A 35 -5.164 -5.215 2.041 1.00 10.00 C ATOM 520 C LEU A 35 -6.583 -4.923 1.558 1.00 10.00 C ATOM 521 O LEU A 35 -7.368 -4.260 2.231 1.00 10.00 O ATOM 522 CB LEU A 35 -4.131 -4.674 1.032 1.00 10.00 C ATOM 523 CG LEU A 35 -4.297 -3.203 0.586 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.209 -2.223 1.739 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.269 -2.824 -0.480 1.00 10.00 C ATOM 0 H LEU A 35 -4.128 -6.998 1.730 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.021 -4.725 3.004 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.139 -4.787 1.468 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.162 -5.304 0.143 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.300 -3.135 0.165 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.333 -1.207 1.363 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.995 -2.441 2.462 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.236 -2.315 2.221 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.414 -1.784 -0.771 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.264 -2.952 -0.078 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.395 -3.466 -1.352 1.00 10.00 H new ATOM 537 N PHE A 36 -6.893 -5.430 0.365 1.00 10.00 N ATOM 538 CA PHE A 36 -8.187 -5.260 -0.261 1.00 10.00 C ATOM 539 C PHE A 36 -9.248 -5.918 0.614 1.00 10.00 C ATOM 540 O PHE A 36 -9.242 -7.137 0.765 1.00 10.00 O ATOM 541 CB PHE A 36 -8.176 -5.872 -1.668 1.00 10.00 C ATOM 542 CG PHE A 36 -7.455 -5.025 -2.697 1.00 10.00 C ATOM 543 CD1 PHE A 36 -6.059 -4.859 -2.625 1.00 10.00 C ATOM 544 CD2 PHE A 36 -8.190 -4.330 -3.676 1.00 10.00 C ATOM 545 CE1 PHE A 36 -5.421 -3.921 -3.447 1.00 10.00 C ATOM 546 CE2 PHE A 36 -7.533 -3.463 -4.563 1.00 10.00 C ATOM 547 CZ PHE A 36 -6.158 -3.221 -4.411 1.00 10.00 C ATOM 0 H PHE A 36 -6.238 -5.976 -0.194 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.417 -4.199 -0.361 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -7.704 -6.853 -1.624 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.204 -6.027 -1.995 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -5.479 -5.455 -1.936 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -9.259 -4.464 -3.745 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -4.362 -3.738 -3.338 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -8.083 -2.984 -5.359 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.667 -2.493 -5.039 1.00 10.00 H new ATOM 557 N GLY A 37 -10.167 -5.119 1.159 1.00 10.00 N ATOM 558 CA GLY A 37 -11.289 -5.643 1.922 1.00 10.00 C ATOM 559 C GLY A 37 -10.913 -5.950 3.370 1.00 10.00 C ATOM 560 O GLY A 37 -11.208 -7.036 3.865 1.00 10.00 O ATOM 0 H GLY A 37 -10.151 -4.102 1.082 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.105 -4.921 1.906 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.658 -6.551 1.445 1.00 10.00 H new ATOM 564 N ARG A 38 -10.312 -4.981 4.071 1.00 10.00 N ATOM 565 CA ARG A 38 -10.010 -5.126 5.492 1.00 10.00 C ATOM 566 C ARG A 38 -10.005 -3.777 6.219 1.00 10.00 C ATOM 567 O ARG A 38 -9.280 -3.617 7.194 1.00 10.00 O ATOM 568 CB ARG A 38 -8.687 -5.899 5.643 1.00 10.00 C ATOM 569 CG ARG A 38 -8.428 -6.395 7.076 1.00 10.00 C ATOM 570 CD ARG A 38 -7.678 -7.733 7.072 1.00 10.00 C ATOM 571 NE ARG A 38 -7.694 -8.338 8.413 1.00 10.00 N ATOM 572 CZ ARG A 38 -7.499 -9.642 8.667 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.079 -10.455 7.691 1.00 10.00 N ATOM 574 NH2 ARG A 38 -7.735 -10.126 9.892 1.00 10.00 N ATOM 0 H ARG A 38 -10.026 -4.087 3.672 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.800 -5.701 5.975 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.695 -6.754 4.967 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -7.862 -5.256 5.334 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -7.848 -5.651 7.622 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.376 -6.508 7.602 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.139 -8.412 6.355 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -6.649 -7.578 6.749 1.00 10.00 H new ATOM 0 HE ARG A 38 -7.866 -7.722 9.208 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -6.908 -10.084 6.756 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -6.930 -11.446 7.881 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -8.063 -9.505 10.631 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -7.587 -11.116 10.086 1.00 10.00 H new ATOM 588 N LYS A 39 -10.824 -2.805 5.784 1.00 10.00 N ATOM 589 CA LYS A 39 -10.793 -1.445 6.340 1.00 10.00 C ATOM 590 C LYS A 39 -9.373 -0.864 6.239 1.00 10.00 C ATOM 591 O LYS A 39 -8.538 -1.425 5.536 1.00 10.00 O ATOM 592 CB LYS A 39 -11.402 -1.435 7.756 1.00 10.00 C ATOM 593 CG LYS A 39 -12.930 -1.313 7.695 1.00 10.00 C ATOM 594 CD LYS A 39 -13.426 0.142 7.798 1.00 10.00 C ATOM 595 CE LYS A 39 -13.886 0.503 9.222 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.896 1.584 9.222 1.00 10.00 N ATOM 0 H LYS A 39 -11.517 -2.938 5.047 1.00 10.00 H new ATOM 0 HA LYS A 39 -11.421 -0.775 5.753 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.127 -2.350 8.281 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.989 -0.604 8.328 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -13.286 -1.746 6.760 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.368 -1.898 8.504 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.627 0.818 7.494 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -14.252 0.292 7.103 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -14.302 -0.382 9.703 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -13.024 0.812 9.814 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.178 1.796 10.200 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -14.491 2.437 8.786 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -15.730 1.280 8.679 1.00 10.00 H new ATOM 610 N THR A 40 -9.105 0.283 6.867 1.00 10.00 N ATOM 611 CA THR A 40 -7.767 0.852 6.945 1.00 10.00 C ATOM 612 C THR A 40 -7.142 0.605 8.316 1.00 10.00 C ATOM 613 O THR A 40 -6.054 0.045 8.420 1.00 10.00 O ATOM 614 CB THR A 40 -7.815 2.333 6.549 1.00 10.00 C ATOM 615 OG1 THR A 40 -8.879 2.986 7.232 1.00 10.00 O ATOM 616 CG2 THR A 40 -8.010 2.469 5.031 1.00 10.00 C ATOM 0 H THR A 40 -9.817 0.842 7.337 1.00 10.00 H new ATOM 0 HA THR A 40 -7.111 0.351 6.234 1.00 10.00 H new ATOM 0 HB THR A 40 -6.871 2.801 6.829 1.00 10.00 H new ATOM 0 HG1 THR A 40 -8.522 3.474 8.003 1.00 10.00 H new ATOM 0 HG21 THR A 40 -8.043 3.525 4.761 1.00 10.00 H new ATOM 0 HG22 THR A 40 -7.180 1.988 4.513 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.946 1.991 4.740 1.00 10.00 H new ATOM 624 N GLY A 41 -7.836 0.987 9.389 1.00 10.00 N ATOM 625 CA GLY A 41 -7.315 0.871 10.743 1.00 10.00 C ATOM 626 C GLY A 41 -7.417 -0.547 11.301 1.00 10.00 C ATOM 627 O GLY A 41 -7.937 -0.733 12.398 1.00 10.00 O ATOM 0 H GLY A 41 -8.774 1.385 9.339 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -6.271 1.186 10.753 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -7.860 1.553 11.396 1.00 10.00 H new ATOM 631 N GLN A 42 -6.907 -1.532 10.558 1.00 10.00 N ATOM 632 CA GLN A 42 -6.887 -2.946 10.923 1.00 10.00 C ATOM 633 C GLN A 42 -5.538 -3.552 10.531 1.00 10.00 C ATOM 634 O GLN A 42 -5.468 -4.548 9.813 1.00 10.00 O ATOM 635 CB GLN A 42 -8.029 -3.680 10.214 1.00 10.00 C ATOM 636 CG GLN A 42 -9.420 -3.294 10.730 1.00 10.00 C ATOM 637 CD GLN A 42 -10.180 -4.511 11.239 1.00 10.00 C ATOM 638 OE1 GLN A 42 -10.760 -5.264 10.463 1.00 10.00 O ATOM 639 NE2 GLN A 42 -10.175 -4.724 12.552 1.00 10.00 N ATOM 0 H GLN A 42 -6.480 -1.356 9.649 1.00 10.00 H new ATOM 0 HA GLN A 42 -7.023 -3.049 12.000 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.976 -3.471 9.146 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.891 -4.754 10.336 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.322 -2.562 11.532 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.987 -2.817 9.931 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.684 -4.080 13.171 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.663 -5.532 12.939 1.00 10.00 H new ATOM 648 N ALA A 43 -4.454 -2.950 11.016 1.00 10.00 N ATOM 649 CA ALA A 43 -3.125 -3.503 10.820 1.00 10.00 C ATOM 650 C ALA A 43 -3.009 -4.840 11.562 1.00 10.00 C ATOM 651 O ALA A 43 -3.605 -4.992 12.631 1.00 10.00 O ATOM 652 CB ALA A 43 -2.097 -2.519 11.368 1.00 10.00 C ATOM 0 H ALA A 43 -4.475 -2.079 11.547 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.946 -3.670 9.758 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.095 -2.923 11.226 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -2.183 -1.570 10.839 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -2.277 -2.359 12.431 1.00 10.00 H new ATOM 658 N PRO A 44 -2.226 -5.803 11.052 1.00 10.00 N ATOM 659 CA PRO A 44 -1.985 -7.062 11.736 1.00 10.00 C ATOM 660 C PRO A 44 -1.011 -6.828 12.897 1.00 10.00 C ATOM 661 O PRO A 44 0.147 -7.236 12.839 1.00 10.00 O ATOM 662 CB PRO A 44 -1.432 -7.996 10.653 1.00 10.00 C ATOM 663 CG PRO A 44 -0.712 -7.050 9.689 1.00 10.00 C ATOM 664 CD PRO A 44 -1.516 -5.751 9.783 1.00 10.00 C ATOM 0 HA PRO A 44 -2.875 -7.502 12.186 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.750 -8.735 11.072 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.230 -8.546 10.153 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.328 -6.899 9.979 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.705 -7.444 8.673 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.859 -4.883 9.740 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.214 -5.664 8.950 1.00 10.00 H new ATOM 672 N GLY A 45 -1.455 -6.120 13.940 1.00 10.00 N ATOM 673 CA GLY A 45 -0.674 -5.845 15.144 1.00 10.00 C ATOM 674 C GLY A 45 0.402 -4.771 14.945 1.00 10.00 C ATOM 675 O GLY A 45 0.629 -3.967 15.847 1.00 10.00 O ATOM 0 H GLY A 45 -2.390 -5.714 13.969 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -1.348 -5.529 15.940 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.198 -6.767 15.477 1.00 10.00 H new ATOM 679 N PHE A 46 1.065 -4.774 13.782 1.00 10.00 N ATOM 680 CA PHE A 46 2.058 -3.796 13.349 1.00 10.00 C ATOM 681 C PHE A 46 1.723 -2.378 13.844 1.00 10.00 C ATOM 682 O PHE A 46 0.606 -1.903 13.643 1.00 10.00 O ATOM 683 CB PHE A 46 2.110 -3.801 11.815 1.00 10.00 C ATOM 684 CG PHE A 46 2.928 -2.675 11.208 1.00 10.00 C ATOM 685 CD1 PHE A 46 4.316 -2.823 11.028 1.00 10.00 C ATOM 686 CD2 PHE A 46 2.300 -1.469 10.840 1.00 10.00 C ATOM 687 CE1 PHE A 46 5.070 -1.770 10.481 1.00 10.00 C ATOM 688 CE2 PHE A 46 3.056 -0.412 10.308 1.00 10.00 C ATOM 689 CZ PHE A 46 4.443 -0.559 10.140 1.00 10.00 C ATOM 0 H PHE A 46 0.911 -5.501 13.083 1.00 10.00 H new ATOM 0 HA PHE A 46 3.023 -4.073 13.774 1.00 10.00 H new ATOM 0 HB2 PHE A 46 2.523 -4.753 11.481 1.00 10.00 H new ATOM 0 HB3 PHE A 46 1.092 -3.742 11.430 1.00 10.00 H new ATOM 0 HD1 PHE A 46 4.802 -3.745 11.310 1.00 10.00 H new ATOM 0 HD2 PHE A 46 1.233 -1.357 10.967 1.00 10.00 H new ATOM 0 HE1 PHE A 46 6.131 -1.892 10.323 1.00 10.00 H new ATOM 0 HE2 PHE A 46 2.572 0.512 10.029 1.00 10.00 H new ATOM 0 HZ PHE A 46 5.028 0.260 9.748 1.00 10.00 H new ATOM 699 N THR A 47 2.689 -1.700 14.467 1.00 10.00 N ATOM 700 CA THR A 47 2.517 -0.365 15.018 1.00 10.00 C ATOM 701 C THR A 47 2.285 0.680 13.921 1.00 10.00 C ATOM 702 O THR A 47 3.163 0.917 13.095 1.00 10.00 O ATOM 703 CB THR A 47 3.754 -0.029 15.858 1.00 10.00 C ATOM 704 OG1 THR A 47 4.001 -1.102 16.746 1.00 10.00 O ATOM 705 CG2 THR A 47 3.566 1.267 16.651 1.00 10.00 C ATOM 0 H THR A 47 3.628 -2.075 14.602 1.00 10.00 H new ATOM 0 HA THR A 47 1.627 -0.346 15.647 1.00 10.00 H new ATOM 0 HB THR A 47 4.601 0.118 15.188 1.00 10.00 H new ATOM 0 HG1 THR A 47 4.792 -0.902 17.289 1.00 10.00 H new ATOM 0 HG21 THR A 47 4.464 1.471 17.234 1.00 10.00 H new ATOM 0 HG22 THR A 47 3.385 2.092 15.962 1.00 10.00 H new ATOM 0 HG23 THR A 47 2.714 1.162 17.323 1.00 10.00 H new ATOM 713 N TYR A 48 1.119 1.328 13.954 1.00 10.00 N ATOM 714 CA TYR A 48 0.686 2.363 13.022 1.00 10.00 C ATOM 715 C TYR A 48 0.768 3.740 13.675 1.00 10.00 C ATOM 716 O TYR A 48 0.924 3.856 14.891 1.00 10.00 O ATOM 717 CB TYR A 48 -0.760 2.081 12.589 1.00 10.00 C ATOM 718 CG TYR A 48 -1.655 1.549 13.694 1.00 10.00 C ATOM 719 CD1 TYR A 48 -2.087 2.381 14.745 1.00 10.00 C ATOM 720 CD2 TYR A 48 -1.888 0.167 13.765 1.00 10.00 C ATOM 721 CE1 TYR A 48 -2.775 1.827 15.841 1.00 10.00 C ATOM 722 CE2 TYR A 48 -2.628 -0.378 14.825 1.00 10.00 C ATOM 723 CZ TYR A 48 -3.074 0.453 15.863 1.00 10.00 C ATOM 724 OH TYR A 48 -3.829 -0.072 16.869 1.00 10.00 O ATOM 0 H TYR A 48 0.418 1.133 14.669 1.00 10.00 H new ATOM 0 HA TYR A 48 1.342 2.353 12.151 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.195 3.001 12.198 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -0.747 1.361 11.771 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -1.891 3.442 14.710 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -1.494 -0.483 12.997 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -3.073 2.458 16.666 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -2.853 -1.434 14.842 1.00 10.00 H new ATOM 0 HH TYR A 48 -3.939 -1.035 16.727 1.00 10.00 H new ATOM 734 N THR A 49 0.617 4.778 12.855 1.00 10.00 N ATOM 735 CA THR A 49 0.605 6.169 13.262 1.00 10.00 C ATOM 736 C THR A 49 -0.843 6.673 13.364 1.00 10.00 C ATOM 737 O THR A 49 -1.792 5.982 12.972 1.00 10.00 O ATOM 738 CB THR A 49 1.402 6.941 12.205 1.00 10.00 C ATOM 739 OG1 THR A 49 0.761 6.759 10.955 1.00 10.00 O ATOM 740 CG2 THR A 49 2.848 6.431 12.123 1.00 10.00 C ATOM 0 H THR A 49 0.495 4.661 11.849 1.00 10.00 H new ATOM 0 HA THR A 49 1.055 6.308 14.245 1.00 10.00 H new ATOM 0 HB THR A 49 1.436 7.997 12.474 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.239 6.077 10.438 1.00 10.00 H new ATOM 0 HG21 THR A 49 3.391 6.996 11.365 1.00 10.00 H new ATOM 0 HG22 THR A 49 3.335 6.560 13.090 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.847 5.374 11.856 1.00 10.00 H new ATOM 748 N ASP A 50 -1.026 7.909 13.834 1.00 10.00 N ATOM 749 CA ASP A 50 -2.299 8.615 13.935 1.00 10.00 C ATOM 750 C ASP A 50 -2.728 9.147 12.565 1.00 10.00 C ATOM 751 O ASP A 50 -3.182 10.281 12.424 1.00 10.00 O ATOM 752 CB ASP A 50 -2.176 9.742 14.976 1.00 10.00 C ATOM 753 CG ASP A 50 -0.956 10.645 14.791 1.00 10.00 C ATOM 754 OD1 ASP A 50 -0.173 10.383 13.850 1.00 10.00 O ATOM 755 OD2 ASP A 50 -0.784 11.530 15.655 1.00 10.00 O ATOM 0 H ASP A 50 -0.246 8.472 14.172 1.00 10.00 H new ATOM 0 HA ASP A 50 -3.076 7.926 14.267 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -3.076 10.356 14.937 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -2.136 9.298 15.971 1.00 10.00 H new ATOM 760 N ALA A 51 -2.649 8.282 11.554 1.00 10.00 N ATOM 761 CA ALA A 51 -2.970 8.604 10.177 1.00 10.00 C ATOM 762 C ALA A 51 -3.459 7.336 9.492 1.00 10.00 C ATOM 763 O ALA A 51 -4.549 7.313 8.927 1.00 10.00 O ATOM 764 CB ALA A 51 -1.742 9.198 9.473 1.00 10.00 C ATOM 0 H ALA A 51 -2.352 7.315 11.681 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.758 9.356 10.131 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.995 9.436 8.440 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -1.431 10.106 9.989 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.927 8.474 9.490 1.00 10.00 H new ATOM 770 N ASN A 52 -2.671 6.259 9.573 1.00 10.00 N ATOM 771 CA ASN A 52 -3.049 4.991 8.963 1.00 10.00 C ATOM 772 C ASN A 52 -4.331 4.448 9.601 1.00 10.00 C ATOM 773 O ASN A 52 -5.234 3.989 8.903 1.00 10.00 O ATOM 774 CB ASN A 52 -1.900 3.979 9.030 1.00 10.00 C ATOM 775 CG ASN A 52 -2.025 2.987 7.877 1.00 10.00 C ATOM 776 OD1 ASN A 52 -1.406 3.180 6.831 1.00 10.00 O ATOM 777 ND2 ASN A 52 -2.894 1.991 8.018 1.00 10.00 N ATOM 0 H ASN A 52 -1.772 6.245 10.054 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.256 5.165 7.907 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -0.942 4.497 8.976 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -1.923 3.450 9.983 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.068 1.352 7.242 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -3.387 1.865 8.902 1.00 10.00 H new ATOM 784 N LYS A 53 -4.434 4.541 10.932 1.00 10.00 N ATOM 785 CA LYS A 53 -5.647 4.151 11.642 1.00 10.00 C ATOM 786 C LYS A 53 -6.715 5.241 11.533 1.00 10.00 C ATOM 787 O LYS A 53 -7.903 4.941 11.449 1.00 10.00 O ATOM 788 CB LYS A 53 -5.329 3.799 13.103 1.00 10.00 C ATOM 789 CG LYS A 53 -6.495 3.024 13.742 1.00 10.00 C ATOM 790 CD LYS A 53 -6.345 2.812 15.253 1.00 10.00 C ATOM 791 CE LYS A 53 -6.442 4.138 16.027 1.00 10.00 C ATOM 792 NZ LYS A 53 -6.677 3.927 17.471 1.00 10.00 N ATOM 0 H LYS A 53 -3.687 4.884 11.536 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.053 3.255 11.173 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.420 3.200 13.148 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.139 4.711 13.669 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.424 3.561 13.551 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.583 2.053 13.256 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -7.119 2.129 15.603 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -5.385 2.339 15.460 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -5.521 4.705 15.890 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -7.251 4.740 15.613 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -6.735 4.848 17.951 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -7.569 3.409 17.606 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -5.892 3.376 17.873 1.00 10.00 H new ATOM 806 N ASN A 54 -6.295 6.509 11.527 1.00 10.00 N ATOM 807 CA ASN A 54 -7.201 7.657 11.500 1.00 10.00 C ATOM 808 C ASN A 54 -7.865 7.851 10.130 1.00 10.00 C ATOM 809 O ASN A 54 -8.692 8.741 9.965 1.00 10.00 O ATOM 810 CB ASN A 54 -6.436 8.920 11.931 1.00 10.00 C ATOM 811 CG ASN A 54 -7.187 9.689 13.012 1.00 10.00 C ATOM 812 OD1 ASN A 54 -7.780 10.731 12.764 1.00 10.00 O ATOM 813 ND2 ASN A 54 -7.164 9.168 14.237 1.00 10.00 N ATOM 0 H ASN A 54 -5.309 6.768 11.541 1.00 10.00 H new ATOM 0 HA ASN A 54 -8.011 7.464 12.203 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.450 8.640 12.301 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -6.281 9.565 11.066 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.649 9.639 15.001 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.661 8.298 14.412 1.00 10.00 H new ATOM 820 N LYS A 55 -7.486 7.034 9.143 1.00 10.00 N ATOM 821 CA LYS A 55 -7.838 7.191 7.741 1.00 10.00 C ATOM 822 C LYS A 55 -9.348 7.088 7.524 1.00 10.00 C ATOM 823 O LYS A 55 -9.947 7.927 6.858 1.00 10.00 O ATOM 824 CB LYS A 55 -7.081 6.106 6.964 1.00 10.00 C ATOM 825 CG LYS A 55 -6.766 6.476 5.512 1.00 10.00 C ATOM 826 CD LYS A 55 -5.333 6.120 5.094 1.00 10.00 C ATOM 827 CE LYS A 55 -4.476 7.387 5.060 1.00 10.00 C ATOM 828 NZ LYS A 55 -3.124 7.127 4.533 1.00 10.00 N ATOM 0 H LYS A 55 -6.903 6.215 9.312 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.555 8.182 7.386 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -6.147 5.889 7.482 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -7.671 5.190 6.974 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.467 5.964 4.853 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -6.922 7.546 5.374 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -4.908 5.400 5.794 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.337 5.646 4.113 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.967 8.140 4.443 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -4.400 7.800 6.066 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -2.429 7.210 5.303 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -3.085 6.167 4.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -2.902 7.820 3.790 1.00 10.00 H new ATOM 842 N GLY A 56 -9.952 6.036 8.082 1.00 10.00 N ATOM 843 CA GLY A 56 -11.390 5.847 8.081 1.00 10.00 C ATOM 844 C GLY A 56 -11.940 5.467 6.707 1.00 10.00 C ATOM 845 O GLY A 56 -12.886 6.086 6.226 1.00 10.00 O ATOM 0 H GLY A 56 -9.443 5.287 8.551 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -11.649 5.068 8.798 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.872 6.765 8.418 1.00 10.00 H new ATOM 849 N ILE A 57 -11.386 4.420 6.087 1.00 10.00 N ATOM 850 CA ILE A 57 -11.818 3.961 4.769 1.00 10.00 C ATOM 851 C ILE A 57 -11.565 2.461 4.640 1.00 10.00 C ATOM 852 O ILE A 57 -11.212 1.808 5.624 1.00 10.00 O ATOM 853 CB ILE A 57 -11.163 4.790 3.627 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.987 5.666 4.086 1.00 10.00 C ATOM 855 CG2 ILE A 57 -12.214 5.675 2.941 1.00 10.00 C ATOM 856 CD1 ILE A 57 -9.054 6.049 2.935 1.00 10.00 C ATOM 0 H ILE A 57 -10.626 3.869 6.487 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.891 4.126 4.667 1.00 10.00 H new ATOM 0 HB ILE A 57 -10.758 4.058 2.928 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -10.374 6.572 4.552 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -9.418 5.134 4.848 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -11.742 6.249 2.144 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -12.999 5.047 2.520 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -12.648 6.357 3.672 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -8.241 6.668 3.316 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.642 5.146 2.484 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.613 6.607 2.184 1.00 10.00 H new ATOM 868 N THR A 58 -11.774 1.910 3.441 1.00 10.00 N ATOM 869 CA THR A 58 -11.492 0.524 3.128 1.00 10.00 C ATOM 870 C THR A 58 -10.596 0.473 1.902 1.00 10.00 C ATOM 871 O THR A 58 -11.031 0.839 0.812 1.00 10.00 O ATOM 872 CB THR A 58 -12.799 -0.263 2.930 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.462 0.128 1.746 1.00 10.00 O ATOM 874 CG2 THR A 58 -13.775 -0.040 4.089 1.00 10.00 C ATOM 0 H THR A 58 -12.152 2.433 2.651 1.00 10.00 H new ATOM 0 HA THR A 58 -10.968 0.049 3.958 1.00 10.00 H new ATOM 0 HB THR A 58 -12.510 -1.313 2.877 1.00 10.00 H new ATOM 0 HG1 THR A 58 -12.805 0.449 1.094 1.00 10.00 H new ATOM 0 HG21 THR A 58 -14.686 -0.612 3.913 1.00 10.00 H new ATOM 0 HG22 THR A 58 -13.315 -0.369 5.021 1.00 10.00 H new ATOM 0 HG23 THR A 58 -14.020 1.020 4.159 1.00 10.00 H new ATOM 882 N TRP A 59 -9.361 0.014 2.081 1.00 10.00 N ATOM 883 CA TRP A 59 -8.441 -0.227 0.992 1.00 10.00 C ATOM 884 C TRP A 59 -9.103 -1.064 -0.110 1.00 10.00 C ATOM 885 O TRP A 59 -9.641 -2.135 0.183 1.00 10.00 O ATOM 886 CB TRP A 59 -7.246 -0.963 1.578 1.00 10.00 C ATOM 887 CG TRP A 59 -6.489 -0.235 2.643 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.203 -0.708 3.873 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.806 1.041 2.549 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.390 0.195 4.535 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.124 1.304 3.769 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.661 1.985 1.529 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.358 2.464 3.973 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.830 3.089 1.684 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.194 3.362 2.907 1.00 10.00 C ATOM 0 H TRP A 59 -8.974 -0.201 3.000 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.134 0.713 0.534 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.593 -1.911 1.989 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.557 -1.201 0.768 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -6.554 -1.646 4.278 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.031 0.054 5.479 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.204 1.855 0.604 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -3.904 2.661 4.933 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.670 3.751 0.846 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.589 4.249 3.025 1.00 10.00 H new ATOM 906 N LYS A 60 -9.089 -0.567 -1.357 1.00 10.00 N ATOM 907 CA LYS A 60 -9.814 -1.193 -2.459 1.00 10.00 C ATOM 908 C LYS A 60 -9.377 -0.689 -3.846 1.00 10.00 C ATOM 909 O LYS A 60 -10.223 -0.502 -4.713 1.00 10.00 O ATOM 910 CB LYS A 60 -11.326 -0.989 -2.242 1.00 10.00 C ATOM 911 CG LYS A 60 -11.787 0.478 -2.330 1.00 10.00 C ATOM 912 CD LYS A 60 -13.291 0.554 -2.024 1.00 10.00 C ATOM 913 CE LYS A 60 -13.987 1.598 -2.911 1.00 10.00 C ATOM 914 NZ LYS A 60 -15.444 1.391 -2.987 1.00 10.00 N ATOM 0 H LYS A 60 -8.577 0.274 -1.622 1.00 10.00 H new ATOM 0 HA LYS A 60 -9.574 -2.256 -2.452 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.870 -1.574 -2.984 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -11.597 -1.385 -1.263 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.228 1.090 -1.622 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.585 0.876 -3.324 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.747 -0.423 -2.182 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.439 0.808 -0.974 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.785 2.595 -2.520 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -13.564 1.557 -3.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.867 2.120 -3.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.641 0.450 -3.385 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -15.854 1.456 -2.034 1.00 10.00 H new ATOM 928 N GLU A 61 -8.079 -0.453 -4.067 1.00 10.00 N ATOM 929 CA GLU A 61 -7.566 0.268 -5.236 1.00 10.00 C ATOM 930 C GLU A 61 -8.041 1.718 -5.196 1.00 10.00 C ATOM 931 O GLU A 61 -7.229 2.572 -4.898 1.00 10.00 O ATOM 932 CB GLU A 61 -7.792 -0.465 -6.571 1.00 10.00 C ATOM 933 CG GLU A 61 -7.681 0.449 -7.811 1.00 10.00 C ATOM 934 CD GLU A 61 -8.988 1.135 -8.191 1.00 10.00 C ATOM 935 OE1 GLU A 61 -10.044 0.634 -7.746 1.00 10.00 O ATOM 936 OE2 GLU A 61 -8.900 2.158 -8.898 1.00 10.00 O ATOM 0 H GLU A 61 -7.345 -0.762 -3.429 1.00 10.00 H new ATOM 0 HA GLU A 61 -6.478 0.292 -5.177 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.064 -1.272 -6.660 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.779 -0.927 -6.559 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -6.924 1.210 -7.623 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -7.334 -0.144 -8.657 1.00 10.00 H new ATOM 943 N GLU A 62 -9.318 2.007 -5.422 1.00 10.00 N ATOM 944 CA GLU A 62 -9.884 3.353 -5.543 1.00 10.00 C ATOM 945 C GLU A 62 -9.325 4.360 -4.522 1.00 10.00 C ATOM 946 O GLU A 62 -9.052 5.508 -4.845 1.00 10.00 O ATOM 947 CB GLU A 62 -11.407 3.203 -5.376 1.00 10.00 C ATOM 948 CG GLU A 62 -12.259 4.141 -6.234 1.00 10.00 C ATOM 949 CD GLU A 62 -13.736 3.984 -5.867 1.00 10.00 C ATOM 950 OE1 GLU A 62 -14.036 4.005 -4.649 1.00 10.00 O ATOM 951 OE2 GLU A 62 -14.545 3.773 -6.792 1.00 10.00 O ATOM 0 H GLU A 62 -10.023 1.278 -5.531 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.611 3.765 -6.515 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.681 2.175 -5.611 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -11.658 3.369 -4.328 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.945 5.174 -6.081 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -12.112 3.916 -7.290 1.00 10.00 H new ATOM 958 N THR A 63 -9.150 3.915 -3.278 1.00 10.00 N ATOM 959 CA THR A 63 -8.484 4.663 -2.225 1.00 10.00 C ATOM 960 C THR A 63 -6.976 4.630 -2.441 1.00 10.00 C ATOM 961 O THR A 63 -6.323 5.673 -2.526 1.00 10.00 O ATOM 962 CB THR A 63 -8.845 4.017 -0.881 1.00 10.00 C ATOM 963 OG1 THR A 63 -10.192 4.295 -0.568 1.00 10.00 O ATOM 964 CG2 THR A 63 -7.952 4.481 0.268 1.00 10.00 C ATOM 0 H THR A 63 -9.478 2.999 -2.972 1.00 10.00 H new ATOM 0 HA THR A 63 -8.806 5.704 -2.235 1.00 10.00 H new ATOM 0 HB THR A 63 -8.688 2.944 -0.995 1.00 10.00 H new ATOM 0 HG1 THR A 63 -10.421 3.880 0.290 1.00 10.00 H new ATOM 0 HG21 THR A 63 -8.259 3.987 1.190 1.00 10.00 H new ATOM 0 HG22 THR A 63 -6.915 4.227 0.048 1.00 10.00 H new ATOM 0 HG23 THR A 63 -8.043 5.561 0.387 1.00 10.00 H new ATOM 972 N LEU A 64 -6.405 3.415 -2.440 1.00 10.00 N ATOM 973 CA LEU A 64 -4.966 3.280 -2.478 1.00 10.00 C ATOM 974 C LEU A 64 -4.345 4.037 -3.652 1.00 10.00 C ATOM 975 O LEU A 64 -3.265 4.574 -3.493 1.00 10.00 O ATOM 976 CB LEU A 64 -4.369 1.890 -2.231 1.00 10.00 C ATOM 977 CG LEU A 64 -5.107 0.622 -2.632 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.138 -0.299 -3.365 1.00 10.00 C ATOM 979 CD2 LEU A 64 -5.711 -0.067 -1.419 1.00 10.00 C ATOM 0 H LEU A 64 -6.919 2.534 -2.414 1.00 10.00 H new ATOM 0 HA LEU A 64 -4.651 3.782 -1.563 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -3.403 1.867 -2.736 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -4.172 1.816 -1.162 1.00 10.00 H new ATOM 0 HG LEU A 64 -5.933 0.877 -3.295 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.655 -1.212 -3.658 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -3.759 0.205 -4.254 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -3.305 -0.549 -2.707 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -6.232 -0.970 -1.736 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -4.919 -0.332 -0.719 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -6.416 0.607 -0.931 1.00 10.00 H new ATOM 991 N MET A 65 -5.034 4.133 -4.788 1.00 10.00 N ATOM 992 CA MET A 65 -4.699 4.910 -5.967 1.00 10.00 C ATOM 993 C MET A 65 -4.038 6.238 -5.611 1.00 10.00 C ATOM 994 O MET A 65 -2.914 6.498 -6.049 1.00 10.00 O ATOM 995 CB MET A 65 -5.997 5.127 -6.769 1.00 10.00 C ATOM 996 CG MET A 65 -6.307 3.937 -7.684 1.00 10.00 C ATOM 997 SD MET A 65 -6.163 4.205 -9.475 1.00 10.00 S ATOM 998 CE MET A 65 -4.634 5.159 -9.564 1.00 10.00 C ATOM 0 H MET A 65 -5.911 3.626 -4.911 1.00 10.00 H new ATOM 0 HA MET A 65 -3.969 4.367 -6.567 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.828 5.282 -6.081 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.906 6.033 -7.369 1.00 10.00 H new ATOM 0 HG2 MET A 65 -5.641 3.119 -7.411 1.00 10.00 H new ATOM 0 HG3 MET A 65 -7.324 3.605 -7.473 1.00 10.00 H new ATOM 0 HE1 MET A 65 -4.134 4.957 -10.511 1.00 10.00 H new ATOM 0 HE2 MET A 65 -4.864 6.222 -9.495 1.00 10.00 H new ATOM 0 HE3 MET A 65 -3.979 4.875 -8.740 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.702 7.068 -4.803 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.166 8.401 -4.570 1.00 10.00 C ATOM 1010 C GLU A 66 -3.013 8.302 -3.592 1.00 10.00 C ATOM 1011 O GLU A 66 -1.989 8.945 -3.769 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.223 9.372 -4.051 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.103 9.939 -5.173 1.00 10.00 C ATOM 1014 CD GLU A 66 -7.315 9.066 -5.423 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -8.225 9.156 -4.570 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -7.299 8.351 -6.445 1.00 10.00 O ATOM 0 H GLU A 66 -5.574 6.851 -4.320 1.00 10.00 H new ATOM 0 HA GLU A 66 -3.820 8.800 -5.524 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -5.853 8.862 -3.322 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -4.732 10.193 -3.529 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.427 10.946 -4.909 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -5.518 10.022 -6.089 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.165 7.487 -2.552 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.111 7.317 -1.570 1.00 10.00 C ATOM 1025 C TYR A 67 -0.829 6.788 -2.220 1.00 10.00 C ATOM 1026 O TYR A 67 0.279 7.118 -1.819 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.602 6.371 -0.474 1.00 10.00 C ATOM 1028 CG TYR A 67 -1.818 6.521 0.822 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -1.727 7.782 1.445 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.096 5.436 1.356 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -0.946 7.949 2.600 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.379 5.588 2.558 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.296 6.848 3.177 1.00 10.00 C ATOM 1034 OH TYR A 67 0.136 6.953 4.467 1.00 10.00 O ATOM 0 H TYR A 67 -4.006 6.938 -2.372 1.00 10.00 H new ATOM 0 HA TYR A 67 -1.870 8.285 -1.131 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.657 6.562 -0.280 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.523 5.342 -0.825 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.261 8.625 1.032 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.092 4.486 0.843 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.846 8.928 3.045 1.00 10.00 H new ATOM 0 HE2 TYR A 67 0.109 4.735 3.006 1.00 10.00 H new ATOM 0 HH TYR A 67 0.136 6.067 4.885 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.988 5.946 -3.230 1.00 10.00 N ATOM 1045 CA LEU A 68 0.085 5.355 -3.990 1.00 10.00 C ATOM 1046 C LEU A 68 0.706 6.403 -4.928 1.00 10.00 C ATOM 1047 O LEU A 68 1.921 6.593 -4.884 1.00 10.00 O ATOM 1048 CB LEU A 68 -0.453 4.107 -4.706 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.697 2.853 -3.832 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -1.131 1.645 -4.646 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.523 2.489 -2.988 1.00 10.00 C ATOM 0 H LEU A 68 -1.910 5.648 -3.550 1.00 10.00 H new ATOM 0 HA LEU A 68 0.898 5.026 -3.343 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -1.393 4.372 -5.191 1.00 10.00 H new ATOM 0 HB3 LEU A 68 0.249 3.839 -5.496 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.515 3.125 -3.164 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -1.288 0.795 -3.981 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -2.060 1.873 -5.168 1.00 10.00 H new ATOM 0 HD13 LEU A 68 -0.357 1.399 -5.373 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.302 1.603 -2.393 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.370 2.285 -3.642 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.768 3.319 -2.326 1.00 10.00 H new ATOM 1063 N GLU A 69 -0.100 7.117 -5.726 1.00 10.00 N ATOM 1064 CA GLU A 69 0.394 8.145 -6.649 1.00 10.00 C ATOM 1065 C GLU A 69 0.537 9.521 -5.990 1.00 10.00 C ATOM 1066 O GLU A 69 0.761 10.519 -6.673 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.495 8.166 -7.914 1.00 10.00 C ATOM 1068 CG GLU A 69 0.301 8.005 -9.221 1.00 10.00 C ATOM 1069 CD GLU A 69 1.008 6.668 -9.345 1.00 10.00 C ATOM 1070 OE1 GLU A 69 1.282 6.039 -8.300 1.00 10.00 O ATOM 1071 OE2 GLU A 69 1.299 6.305 -10.500 1.00 10.00 O ATOM 0 H GLU A 69 -1.113 6.997 -5.749 1.00 10.00 H new ATOM 0 HA GLU A 69 1.409 7.883 -6.948 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.232 7.366 -7.845 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -1.047 9.106 -7.946 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -0.377 8.127 -10.066 1.00 10.00 H new ATOM 0 HG3 GLU A 69 1.040 8.804 -9.287 1.00 10.00 H new ATOM 1078 N ASN A 70 0.407 9.592 -4.664 1.00 10.00 N ATOM 1079 CA ASN A 70 0.366 10.834 -3.907 1.00 10.00 C ATOM 1080 C ASN A 70 0.257 10.523 -2.403 1.00 10.00 C ATOM 1081 O ASN A 70 -0.703 10.916 -1.737 1.00 10.00 O ATOM 1082 CB ASN A 70 -0.794 11.718 -4.429 1.00 10.00 C ATOM 1083 CG ASN A 70 -0.298 13.054 -4.969 1.00 10.00 C ATOM 1084 OD1 ASN A 70 0.581 13.686 -4.389 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -0.881 13.518 -6.070 1.00 10.00 N ATOM 0 H ASN A 70 0.326 8.763 -4.076 1.00 10.00 H new ATOM 0 HA ASN A 70 1.288 11.399 -4.046 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -1.329 11.186 -5.215 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -1.506 11.895 -3.623 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -0.601 14.421 -6.454 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -1.608 12.971 -6.531 1.00 10.00 H new ATOM 1092 N PRO A 71 1.259 9.845 -1.814 1.00 10.00 N ATOM 1093 CA PRO A 71 1.218 9.504 -0.398 1.00 10.00 C ATOM 1094 C PRO A 71 1.226 10.752 0.478 1.00 10.00 C ATOM 1095 O PRO A 71 0.761 10.704 1.614 1.00 10.00 O ATOM 1096 CB PRO A 71 2.416 8.588 -0.131 1.00 10.00 C ATOM 1097 CG PRO A 71 3.359 8.825 -1.309 1.00 10.00 C ATOM 1098 CD PRO A 71 2.477 9.356 -2.441 1.00 10.00 C ATOM 0 HA PRO A 71 0.292 8.988 -0.145 1.00 10.00 H new ATOM 0 HB2 PRO A 71 2.897 8.832 0.816 1.00 10.00 H new ATOM 0 HB3 PRO A 71 2.110 7.543 -0.073 1.00 10.00 H new ATOM 0 HG2 PRO A 71 4.138 9.542 -1.050 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.860 7.902 -1.602 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.982 10.154 -2.985 1.00 10.00 H new ATOM 0 HD3 PRO A 71 2.254 8.570 -3.162 1.00 10.00 H new ATOM 1106 N LYS A 72 1.736 11.869 -0.051 1.00 10.00 N ATOM 1107 CA LYS A 72 1.835 13.123 0.666 1.00 10.00 C ATOM 1108 C LYS A 72 0.745 14.115 0.244 1.00 10.00 C ATOM 1109 O LYS A 72 1.034 15.284 -0.005 1.00 10.00 O ATOM 1110 CB LYS A 72 3.255 13.683 0.530 1.00 10.00 C ATOM 1111 CG LYS A 72 3.757 14.084 -0.871 1.00 10.00 C ATOM 1112 CD LYS A 72 4.370 12.920 -1.669 1.00 10.00 C ATOM 1113 CE LYS A 72 5.370 13.419 -2.730 1.00 10.00 C ATOM 1114 NZ LYS A 72 6.777 13.313 -2.284 1.00 10.00 N ATOM 0 H LYS A 72 2.094 11.917 -1.005 1.00 10.00 H new ATOM 0 HA LYS A 72 1.653 12.942 1.726 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.328 14.561 1.172 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.944 12.939 0.929 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.926 14.503 -1.438 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.502 14.873 -0.768 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.875 12.237 -0.986 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.575 12.354 -2.156 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.239 12.843 -3.646 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.147 14.458 -2.973 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.303 14.155 -2.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 6.808 13.246 -1.247 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.210 12.463 -2.699 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.504 13.651 0.148 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.614 14.461 -0.348 1.00 10.00 C ATOM 1130 C LYS A 73 -2.875 14.198 0.472 1.00 10.00 C ATOM 1131 O LYS A 73 -3.454 15.133 1.016 1.00 10.00 O ATOM 1132 CB LYS A 73 -1.795 14.210 -1.858 1.00 10.00 C ATOM 1133 CG LYS A 73 -1.719 15.504 -2.683 1.00 10.00 C ATOM 1134 CD LYS A 73 -3.061 16.259 -2.668 1.00 10.00 C ATOM 1135 CE LYS A 73 -2.921 17.780 -2.468 1.00 10.00 C ATOM 1136 NZ LYS A 73 -3.266 18.558 -3.677 1.00 10.00 N ATOM 0 H LYS A 73 -0.772 12.703 0.413 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.395 15.522 -0.225 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.027 13.518 -2.203 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.758 13.729 -2.030 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -0.934 16.146 -2.284 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -1.445 15.267 -3.711 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -3.582 16.073 -3.607 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -3.685 15.854 -1.872 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.565 18.093 -1.646 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -1.896 18.009 -2.176 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -3.153 19.573 -3.481 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -2.636 18.284 -4.458 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -4.252 18.365 -3.944 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.284 12.930 0.585 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.405 12.533 1.435 1.00 10.00 C ATOM 1152 C TYR A 74 -4.211 13.032 2.872 1.00 10.00 C ATOM 1153 O TYR A 74 -5.098 13.666 3.434 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.567 11.002 1.409 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.630 10.465 0.465 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -5.811 11.019 -0.818 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.488 9.436 0.901 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -6.881 10.590 -1.626 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.519 8.972 0.068 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.708 9.535 -1.203 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.706 9.056 -1.996 1.00 10.00 O ATOM 0 H TYR A 74 -2.846 12.153 0.090 1.00 10.00 H new ATOM 0 HA TYR A 74 -5.314 12.991 1.045 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.609 10.559 1.137 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.800 10.663 2.418 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -5.129 11.773 -1.182 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.352 9.002 1.881 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -7.067 11.073 -2.574 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.169 8.179 0.407 1.00 10.00 H new ATOM 0 HH TYR A 74 -8.366 8.923 -2.905 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.063 12.708 3.477 1.00 10.00 N ATOM 1172 CA ILE A 75 -2.782 13.013 4.876 1.00 10.00 C ATOM 1173 C ILE A 75 -1.261 13.015 5.103 1.00 10.00 C ATOM 1174 O ILE A 75 -0.673 11.958 5.332 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.547 12.036 5.796 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -3.353 12.359 7.290 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.218 10.561 5.527 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -4.242 13.514 7.767 1.00 10.00 C ATOM 0 H ILE A 75 -2.301 12.224 3.003 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.140 14.010 5.132 1.00 10.00 H new ATOM 0 HB ILE A 75 -4.597 12.185 5.546 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -3.572 11.470 7.881 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -2.308 12.612 7.470 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -3.790 9.931 6.208 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -3.477 10.312 4.498 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -2.153 10.391 5.684 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -4.063 13.697 8.826 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -4.006 14.413 7.198 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.290 13.253 7.616 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.596 14.179 5.024 1.00 10.00 N ATOM 1191 CA PRO A 76 0.840 14.284 5.228 1.00 10.00 C ATOM 1192 C PRO A 76 1.204 14.158 6.712 1.00 10.00 C ATOM 1193 O PRO A 76 1.607 15.129 7.346 1.00 10.00 O ATOM 1194 CB PRO A 76 1.251 15.601 4.562 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.010 16.464 4.624 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.167 15.463 4.647 1.00 10.00 C ATOM 0 HA PRO A 76 1.399 13.466 4.772 1.00 10.00 H new ATOM 0 HB2 PRO A 76 2.081 16.071 5.089 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.575 15.443 3.533 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.015 17.095 5.513 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.078 17.128 3.762 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -1.932 15.771 5.359 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.647 15.402 3.670 1.00 10.00 H new ATOM 1204 N GLY A 77 1.105 12.934 7.246 1.00 10.00 N ATOM 1205 CA GLY A 77 1.572 12.581 8.584 1.00 10.00 C ATOM 1206 C GLY A 77 1.901 11.092 8.646 1.00 10.00 C ATOM 1207 O GLY A 77 1.356 10.370 9.475 1.00 10.00 O ATOM 0 H GLY A 77 0.689 12.148 6.746 1.00 10.00 H new ATOM 0 HA2 GLY A 77 2.455 13.168 8.836 1.00 10.00 H new ATOM 0 HA3 GLY A 77 0.807 12.824 9.321 1.00 10.00 H new ATOM 1211 N THR A 78 2.800 10.636 7.766 1.00 10.00 N ATOM 1212 CA THR A 78 3.227 9.238 7.730 1.00 10.00 C ATOM 1213 C THR A 78 4.745 9.113 7.605 1.00 10.00 C ATOM 1214 O THR A 78 5.359 8.345 8.342 1.00 10.00 O ATOM 1215 CB THR A 78 2.501 8.451 6.618 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.229 8.987 6.305 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.309 7.002 7.070 1.00 10.00 C ATOM 0 H THR A 78 3.248 11.224 7.064 1.00 10.00 H new ATOM 0 HA THR A 78 2.944 8.791 8.683 1.00 10.00 H new ATOM 0 HB THR A 78 3.123 8.517 5.725 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.764 8.386 5.687 1.00 10.00 H new ATOM 0 HG21 THR A 78 1.797 6.442 6.288 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.282 6.549 7.263 1.00 10.00 H new ATOM 0 HG23 THR A 78 1.712 6.981 7.982 1.00 10.00 H new ATOM 1225 N LYS A 79 5.344 9.826 6.643 1.00 10.00 N ATOM 1226 CA LYS A 79 6.768 9.728 6.320 1.00 10.00 C ATOM 1227 C LYS A 79 7.164 10.650 5.160 1.00 10.00 C ATOM 1228 O LYS A 79 8.284 11.147 5.144 1.00 10.00 O ATOM 1229 CB LYS A 79 7.199 8.273 6.051 1.00 10.00 C ATOM 1230 CG LYS A 79 6.285 7.499 5.084 1.00 10.00 C ATOM 1231 CD LYS A 79 5.817 6.156 5.663 1.00 10.00 C ATOM 1232 CE LYS A 79 6.941 5.109 5.732 1.00 10.00 C ATOM 1233 NZ LYS A 79 7.484 4.952 7.100 1.00 10.00 N ATOM 0 H LYS A 79 4.843 10.496 6.060 1.00 10.00 H new ATOM 0 HA LYS A 79 7.309 10.071 7.202 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.211 8.277 5.647 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.237 7.738 7.000 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.415 8.110 4.844 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.817 7.322 4.150 1.00 10.00 H new ATOM 0 HD2 LYS A 79 5.416 6.318 6.664 1.00 10.00 H new ATOM 0 HD3 LYS A 79 5.002 5.767 5.052 1.00 10.00 H new ATOM 0 HE2 LYS A 79 6.561 4.149 5.383 1.00 10.00 H new ATOM 0 HE3 LYS A 79 7.745 5.399 5.056 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 8.522 5.014 7.071 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 7.109 5.705 7.711 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 7.203 4.026 7.481 1.00 10.00 H new ATOM 1247 N MET A 80 6.259 10.877 4.197 1.00 10.00 N ATOM 1248 CA MET A 80 6.497 11.770 3.063 1.00 10.00 C ATOM 1249 C MET A 80 7.662 11.260 2.199 1.00 10.00 C ATOM 1250 O MET A 80 8.725 11.869 2.126 1.00 10.00 O ATOM 1251 CB MET A 80 6.654 13.237 3.536 1.00 10.00 C ATOM 1252 CG MET A 80 5.403 14.061 3.227 1.00 10.00 C ATOM 1253 SD MET A 80 5.453 15.809 3.696 1.00 10.00 S ATOM 1254 CE MET A 80 5.903 16.547 2.106 1.00 10.00 C ATOM 0 H MET A 80 5.337 10.441 4.187 1.00 10.00 H new ATOM 0 HA MET A 80 5.623 11.764 2.412 1.00 10.00 H new ATOM 0 HB2 MET A 80 6.848 13.256 4.608 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.518 13.688 3.048 1.00 10.00 H new ATOM 0 HG2 MET A 80 5.210 14.000 2.156 1.00 10.00 H new ATOM 0 HG3 MET A 80 4.555 13.596 3.730 1.00 10.00 H new ATOM 0 HE1 MET A 80 5.977 17.629 2.215 1.00 10.00 H new ATOM 0 HE2 MET A 80 6.863 16.148 1.779 1.00 10.00 H new ATOM 0 HE3 MET A 80 5.140 16.309 1.365 1.00 10.00 H new ATOM 1264 N ILE A 81 7.433 10.143 1.500 1.00 10.00 N ATOM 1265 CA ILE A 81 8.379 9.559 0.550 1.00 10.00 C ATOM 1266 C ILE A 81 7.700 9.522 -0.822 1.00 10.00 C ATOM 1267 O ILE A 81 6.620 10.096 -0.983 1.00 10.00 O ATOM 1268 CB ILE A 81 8.883 8.181 1.056 1.00 10.00 C ATOM 1269 CG1 ILE A 81 7.806 7.084 0.936 1.00 10.00 C ATOM 1270 CG2 ILE A 81 9.342 8.350 2.516 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.371 5.678 1.123 1.00 10.00 C ATOM 0 H ILE A 81 6.567 9.611 1.582 1.00 10.00 H new ATOM 0 HA ILE A 81 9.281 10.163 0.456 1.00 10.00 H new ATOM 0 HB ILE A 81 9.714 7.853 0.432 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.029 7.261 1.680 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.331 7.153 -0.043 1.00 10.00 H new ATOM 0 HG21 ILE A 81 9.702 7.394 2.897 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.146 9.085 2.562 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.504 8.691 3.124 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.568 4.947 1.028 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.128 5.486 0.363 1.00 10.00 H new ATOM 0 HD13 ILE A 81 8.821 5.595 2.112 1.00 10.00 H new ATOM 1283 N PHE A 82 8.306 8.827 -1.791 1.00 10.00 N ATOM 1284 CA PHE A 82 7.782 8.648 -3.141 1.00 10.00 C ATOM 1285 C PHE A 82 7.676 9.972 -3.910 1.00 10.00 C ATOM 1286 O PHE A 82 7.631 11.065 -3.339 1.00 10.00 O ATOM 1287 CB PHE A 82 6.446 7.873 -3.141 1.00 10.00 C ATOM 1288 CG PHE A 82 6.555 6.401 -3.494 1.00 10.00 C ATOM 1289 CD1 PHE A 82 6.491 5.995 -4.841 1.00 10.00 C ATOM 1290 CD2 PHE A 82 6.657 5.429 -2.481 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.563 4.630 -5.169 1.00 10.00 C ATOM 1292 CE2 PHE A 82 6.774 4.071 -2.809 1.00 10.00 C ATOM 1293 CZ PHE A 82 6.722 3.675 -4.152 1.00 10.00 C ATOM 0 H PHE A 82 9.202 8.361 -1.648 1.00 10.00 H new ATOM 0 HA PHE A 82 8.508 8.037 -3.677 1.00 10.00 H new ATOM 0 HB2 PHE A 82 5.993 7.961 -2.154 1.00 10.00 H new ATOM 0 HB3 PHE A 82 5.767 8.351 -3.847 1.00 10.00 H new ATOM 0 HD1 PHE A 82 6.387 6.733 -5.623 1.00 10.00 H new ATOM 0 HD2 PHE A 82 6.645 5.731 -1.444 1.00 10.00 H new ATOM 0 HE1 PHE A 82 6.496 4.317 -6.200 1.00 10.00 H new ATOM 0 HE2 PHE A 82 6.904 3.334 -2.030 1.00 10.00 H new ATOM 0 HZ PHE A 82 6.805 2.629 -4.407 1.00 10.00 H new ATOM 1303 N ALA A 83 7.637 9.843 -5.234 1.00 10.00 N ATOM 1304 CA ALA A 83 7.406 10.918 -6.188 1.00 10.00 C ATOM 1305 C ALA A 83 6.106 10.605 -6.927 1.00 10.00 C ATOM 1306 O ALA A 83 5.158 11.382 -6.878 1.00 10.00 O ATOM 1307 CB ALA A 83 8.611 11.017 -7.131 1.00 10.00 C ATOM 0 H ALA A 83 7.773 8.941 -5.690 1.00 10.00 H new ATOM 0 HA ALA A 83 7.303 11.887 -5.699 1.00 10.00 H new ATOM 0 HB1 ALA A 83 8.446 11.820 -7.849 1.00 10.00 H new ATOM 0 HB2 ALA A 83 9.510 11.227 -6.552 1.00 10.00 H new ATOM 0 HB3 ALA A 83 8.735 10.074 -7.663 1.00 10.00 H new ATOM 1313 N GLY A 84 6.062 9.430 -7.555 1.00 10.00 N ATOM 1314 CA GLY A 84 4.907 8.857 -8.222 1.00 10.00 C ATOM 1315 C GLY A 84 5.386 7.531 -8.806 1.00 10.00 C ATOM 1316 O GLY A 84 6.590 7.382 -9.031 1.00 10.00 O ATOM 0 H GLY A 84 6.880 8.824 -7.611 1.00 10.00 H new ATOM 0 HA2 GLY A 84 4.086 8.703 -7.521 1.00 10.00 H new ATOM 0 HA3 GLY A 84 4.538 9.520 -9.005 1.00 10.00 H new ATOM 1320 N ILE A 85 4.505 6.548 -9.014 1.00 10.00 N ATOM 1321 CA ILE A 85 4.856 5.402 -9.840 1.00 10.00 C ATOM 1322 C ILE A 85 5.086 5.875 -11.284 1.00 10.00 C ATOM 1323 O ILE A 85 4.841 7.031 -11.620 1.00 10.00 O ATOM 1324 CB ILE A 85 3.768 4.320 -9.684 1.00 10.00 C ATOM 1325 CG1 ILE A 85 4.193 3.177 -8.777 1.00 10.00 C ATOM 1326 CG2 ILE A 85 3.131 3.802 -10.971 1.00 10.00 C ATOM 1327 CD1 ILE A 85 5.053 2.127 -9.458 1.00 10.00 C ATOM 0 H ILE A 85 3.561 6.526 -8.627 1.00 10.00 H new ATOM 0 HA ILE A 85 5.791 4.940 -9.522 1.00 10.00 H new ATOM 0 HB ILE A 85 2.966 4.871 -9.193 1.00 10.00 H new ATOM 0 HG12 ILE A 85 4.743 3.586 -7.929 1.00 10.00 H new ATOM 0 HG13 ILE A 85 3.301 2.695 -8.376 1.00 10.00 H new ATOM 0 HG21 ILE A 85 2.383 3.047 -10.729 1.00 10.00 H new ATOM 0 HG22 ILE A 85 2.655 4.628 -11.499 1.00 10.00 H new ATOM 0 HG23 ILE A 85 3.900 3.361 -11.605 1.00 10.00 H new ATOM 0 HD11 ILE A 85 5.312 1.348 -8.741 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.501 1.687 -10.288 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.965 2.591 -9.834 1.00 10.00 H new ATOM 1339 N LYS A 86 5.593 4.969 -12.129 1.00 10.00 N ATOM 1340 CA LYS A 86 5.893 5.226 -13.532 1.00 10.00 C ATOM 1341 C LYS A 86 4.787 6.043 -14.213 1.00 10.00 C ATOM 1342 O LYS A 86 5.098 7.027 -14.880 1.00 10.00 O ATOM 1343 CB LYS A 86 6.154 3.913 -14.292 1.00 10.00 C ATOM 1344 CG LYS A 86 7.075 2.944 -13.530 1.00 10.00 C ATOM 1345 CD LYS A 86 7.690 1.877 -14.458 1.00 10.00 C ATOM 1346 CE LYS A 86 7.946 0.555 -13.708 1.00 10.00 C ATOM 1347 NZ LYS A 86 9.043 -0.235 -14.301 1.00 10.00 N ATOM 0 H LYS A 86 5.809 4.014 -11.843 1.00 10.00 H new ATOM 0 HA LYS A 86 6.804 5.824 -13.562 1.00 10.00 H new ATOM 0 HB2 LYS A 86 5.202 3.420 -14.489 1.00 10.00 H new ATOM 0 HB3 LYS A 86 6.600 4.143 -15.259 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.873 3.508 -13.047 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.508 2.453 -12.739 1.00 10.00 H new ATOM 0 HD2 LYS A 86 7.021 1.696 -15.299 1.00 10.00 H new ATOM 0 HD3 LYS A 86 8.627 2.249 -14.871 1.00 10.00 H new ATOM 0 HE2 LYS A 86 8.183 0.773 -12.667 1.00 10.00 H new ATOM 0 HE3 LYS A 86 7.033 -0.041 -13.709 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.172 -1.112 -13.758 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.809 -0.469 -15.287 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.923 0.319 -14.277 1.00 10.00 H new ATOM 1361 N LYS A 87 3.523 5.620 -14.061 1.00 10.00 N ATOM 1362 CA LYS A 87 2.319 6.291 -14.525 1.00 10.00 C ATOM 1363 C LYS A 87 1.085 5.480 -14.094 1.00 10.00 C ATOM 1364 O LYS A 87 1.212 4.435 -13.453 1.00 10.00 O ATOM 1365 CB LYS A 87 2.361 6.428 -16.050 1.00 10.00 C ATOM 1366 CG LYS A 87 2.316 5.045 -16.708 1.00 10.00 C ATOM 1367 CD LYS A 87 3.094 4.981 -18.026 1.00 10.00 C ATOM 1368 CE LYS A 87 4.609 4.994 -17.768 1.00 10.00 C ATOM 1369 NZ LYS A 87 5.383 4.856 -19.016 1.00 10.00 N ATOM 0 H LYS A 87 3.311 4.746 -13.580 1.00 10.00 H new ATOM 0 HA LYS A 87 2.260 7.287 -14.086 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.518 7.029 -16.392 1.00 10.00 H new ATOM 0 HB3 LYS A 87 3.268 6.952 -16.350 1.00 10.00 H new ATOM 0 HG2 LYS A 87 2.723 4.307 -16.017 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.277 4.771 -16.892 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.821 4.077 -18.571 1.00 10.00 H new ATOM 0 HD3 LYS A 87 2.821 5.827 -18.656 1.00 10.00 H new ATOM 0 HE2 LYS A 87 4.884 5.925 -17.272 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.868 4.182 -17.089 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 6.400 4.870 -18.797 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 5.140 3.956 -19.477 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 5.156 5.645 -19.654 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.096 5.914 -14.551 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.390 5.305 -14.265 1.00 10.00 C ATOM 1385 C LYS A 88 -1.347 3.813 -14.586 1.00 10.00 C ATOM 1386 O LYS A 88 -1.790 2.994 -13.791 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.477 5.997 -15.108 1.00 10.00 C ATOM 1388 CG LYS A 88 -3.900 5.480 -14.815 1.00 10.00 C ATOM 1389 CD LYS A 88 -4.557 6.211 -13.628 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.857 6.930 -14.041 1.00 10.00 C ATOM 1391 NZ LYS A 88 -6.071 8.185 -13.292 1.00 10.00 N ATOM 0 H LYS A 88 -0.173 6.733 -15.154 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.622 5.427 -13.207 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -2.443 7.070 -14.921 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.255 5.850 -16.165 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -4.519 5.605 -15.703 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -3.859 4.412 -14.603 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -4.775 5.494 -12.836 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -3.856 6.937 -13.216 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -5.824 7.149 -15.108 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -6.704 6.264 -13.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.957 8.630 -13.606 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -6.130 7.977 -12.275 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -5.277 8.834 -13.467 1.00 10.00 H new ATOM 1405 N THR A 89 -0.846 3.474 -15.773 1.00 10.00 N ATOM 1406 CA THR A 89 -0.778 2.116 -16.268 1.00 10.00 C ATOM 1407 C THR A 89 -0.149 1.202 -15.225 1.00 10.00 C ATOM 1408 O THR A 89 -0.848 0.386 -14.629 1.00 10.00 O ATOM 1409 CB THR A 89 0.020 2.134 -17.576 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.560 3.098 -18.435 1.00 10.00 O ATOM 1411 CG2 THR A 89 0.009 0.750 -18.214 1.00 10.00 C ATOM 0 H THR A 89 -0.469 4.160 -16.427 1.00 10.00 H new ATOM 0 HA THR A 89 -1.776 1.722 -16.463 1.00 10.00 H new ATOM 0 HB THR A 89 1.060 2.399 -17.385 1.00 10.00 H new ATOM 0 HG1 THR A 89 -0.062 3.126 -19.279 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.579 0.773 -19.143 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.459 0.030 -17.530 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.019 0.455 -18.426 1.00 10.00 H new ATOM 1419 N GLU A 90 1.149 1.379 -14.962 1.00 10.00 N ATOM 1420 CA GLU A 90 1.822 0.724 -13.869 1.00 10.00 C ATOM 1421 C GLU A 90 0.994 0.745 -12.598 1.00 10.00 C ATOM 1422 O GLU A 90 0.833 -0.297 -11.977 1.00 10.00 O ATOM 1423 CB GLU A 90 3.144 1.424 -13.593 1.00 10.00 C ATOM 1424 CG GLU A 90 4.290 0.763 -14.355 1.00 10.00 C ATOM 1425 CD GLU A 90 4.251 0.970 -15.862 1.00 10.00 C ATOM 1426 OE1 GLU A 90 3.492 1.862 -16.312 1.00 10.00 O ATOM 1427 OE2 GLU A 90 5.049 0.269 -16.522 1.00 10.00 O ATOM 0 H GLU A 90 1.754 1.988 -15.513 1.00 10.00 H new ATOM 0 HA GLU A 90 1.983 -0.314 -14.160 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.070 2.473 -13.881 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.354 1.401 -12.524 1.00 10.00 H new ATOM 0 HG2 GLU A 90 5.234 1.150 -13.973 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.277 -0.307 -14.148 1.00 10.00 H new ATOM 1434 N ARG A 91 0.522 1.921 -12.178 1.00 10.00 N ATOM 1435 CA ARG A 91 -0.198 2.041 -10.921 1.00 10.00 C ATOM 1436 C ARG A 91 -1.306 0.984 -10.843 1.00 10.00 C ATOM 1437 O ARG A 91 -1.438 0.293 -9.827 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.776 3.458 -10.783 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.492 3.727 -9.459 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.558 3.505 -8.280 1.00 10.00 C ATOM 1441 NE ARG A 91 -0.436 2.084 -7.941 1.00 10.00 N ATOM 1442 CZ ARG A 91 0.562 1.572 -7.216 1.00 10.00 C ATOM 1443 NH1 ARG A 91 1.563 2.348 -6.791 1.00 10.00 N ATOM 1444 NH2 ARG A 91 0.525 0.282 -6.890 1.00 10.00 N ATOM 0 H ARG A 91 0.628 2.796 -12.691 1.00 10.00 H new ATOM 0 HA ARG A 91 0.491 1.869 -10.094 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.034 4.179 -10.896 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -1.475 3.632 -11.601 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -1.865 4.751 -9.445 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -2.358 3.071 -9.370 1.00 10.00 H new ATOM 0 HD2 ARG A 91 0.427 3.908 -8.516 1.00 10.00 H new ATOM 0 HD3 ARG A 91 -0.928 4.054 -7.415 1.00 10.00 H new ATOM 0 HE ARG A 91 -1.157 1.447 -8.280 1.00 10.00 H new ATOM 0 HH11 ARG A 91 1.570 3.342 -7.020 1.00 10.00 H new ATOM 0 HH12 ARG A 91 2.320 1.946 -6.238 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -0.257 -0.298 -7.193 1.00 10.00 H new ATOM 0 HH22 ARG A 91 1.279 -0.126 -6.337 1.00 10.00 H new ATOM 1458 N GLU A 92 -2.070 0.878 -11.932 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.211 -0.011 -12.094 1.00 10.00 C ATOM 1460 C GLU A 92 -2.746 -1.470 -12.170 1.00 10.00 C ATOM 1461 O GLU A 92 -3.224 -2.325 -11.427 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.995 0.407 -13.354 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.490 0.593 -13.086 1.00 10.00 C ATOM 1464 CD GLU A 92 -6.191 -0.734 -12.829 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.591 -1.358 -13.838 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.266 -1.155 -11.657 1.00 10.00 O ATOM 0 H GLU A 92 -1.897 1.441 -12.765 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.872 0.069 -11.231 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.581 1.338 -13.742 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.860 -0.349 -14.128 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.626 1.248 -12.225 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.953 1.089 -13.939 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.805 -1.772 -13.070 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.203 -3.099 -13.211 1.00 10.00 C ATOM 1475 C ASP A 93 -0.782 -3.623 -11.841 1.00 10.00 C ATOM 1476 O ASP A 93 -1.145 -4.721 -11.425 1.00 10.00 O ATOM 1477 CB ASP A 93 -0.012 -3.032 -14.178 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.406 -3.050 -15.650 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.626 -3.003 -15.931 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.530 -3.141 -16.472 1.00 10.00 O ATOM 0 H ASP A 93 -1.435 -1.089 -13.731 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.934 -3.792 -13.627 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.556 -2.124 -13.976 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.651 -3.874 -13.980 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.055 -2.798 -11.100 1.00 10.00 N ATOM 1486 CA LEU A 94 0.368 -3.098 -9.747 1.00 10.00 C ATOM 1487 C LEU A 94 -0.835 -3.485 -8.871 1.00 10.00 C ATOM 1488 O LEU A 94 -0.815 -4.545 -8.239 1.00 10.00 O ATOM 1489 CB LEU A 94 1.144 -1.897 -9.214 1.00 10.00 C ATOM 1490 CG LEU A 94 2.341 -2.279 -8.345 1.00 10.00 C ATOM 1491 CD1 LEU A 94 3.097 -1.028 -7.887 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.949 -3.088 -7.126 1.00 10.00 C ATOM 0 H LEU A 94 0.261 -1.887 -11.432 1.00 10.00 H new ATOM 0 HA LEU A 94 1.029 -3.965 -9.730 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.493 -1.298 -10.055 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.470 -1.268 -8.633 1.00 10.00 H new ATOM 0 HG LEU A 94 2.982 -2.901 -8.970 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.946 -1.322 -7.269 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.455 -0.480 -8.758 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.429 -0.391 -7.307 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.841 -3.330 -6.548 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.263 -2.508 -6.509 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.461 -4.010 -7.443 1.00 10.00 H new ATOM 1504 N ILE A 95 -1.894 -2.659 -8.843 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.144 -3.037 -8.195 1.00 10.00 C ATOM 1506 C ILE A 95 -3.606 -4.417 -8.649 1.00 10.00 C ATOM 1507 O ILE A 95 -4.035 -5.212 -7.822 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.258 -1.989 -8.409 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.245 -0.968 -7.270 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.646 -2.651 -8.468 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.125 0.052 -7.354 1.00 10.00 C ATOM 0 H ILE A 95 -1.902 -1.729 -9.263 1.00 10.00 H new ATOM 0 HA ILE A 95 -2.941 -3.077 -7.125 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.064 -1.492 -9.360 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.199 -0.441 -7.260 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.165 -1.500 -6.322 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.408 -1.886 -8.619 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.676 -3.361 -9.294 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -5.839 -3.175 -7.532 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.192 0.736 -6.508 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.163 -0.461 -7.331 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.214 0.615 -8.283 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.596 -4.683 -9.953 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.119 -5.925 -10.499 1.00 10.00 C ATOM 1525 C ALA A 96 -3.483 -7.125 -9.814 1.00 10.00 C ATOM 1526 O ALA A 96 -4.187 -8.031 -9.370 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.873 -5.981 -11.997 1.00 10.00 C ATOM 0 H ALA A 96 -3.226 -4.043 -10.656 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.193 -5.957 -10.316 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.268 -6.915 -12.396 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.372 -5.140 -12.479 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.802 -5.928 -12.192 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.151 -7.115 -9.710 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.463 -8.129 -8.931 1.00 10.00 C ATOM 1535 C TYR A 97 -1.981 -8.107 -7.509 1.00 10.00 C ATOM 1536 O TYR A 97 -2.511 -9.107 -7.032 1.00 10.00 O ATOM 1537 CB TYR A 97 0.044 -7.903 -8.941 1.00 10.00 C ATOM 1538 CG TYR A 97 0.826 -8.803 -8.003 1.00 10.00 C ATOM 1539 CD1 TYR A 97 0.756 -10.202 -8.147 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.666 -8.246 -7.020 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.553 -11.036 -7.345 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.499 -9.080 -6.255 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.443 -10.473 -6.415 1.00 10.00 C ATOM 1544 OH TYR A 97 3.302 -11.268 -5.719 1.00 10.00 O ATOM 0 H TYR A 97 -1.542 -6.425 -10.150 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.659 -9.103 -9.379 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.413 -8.050 -9.956 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.244 -6.865 -8.677 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.088 -10.635 -8.876 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.670 -7.179 -6.854 1.00 10.00 H new ATOM 0 HE1 TYR A 97 1.482 -12.109 -7.443 1.00 10.00 H new ATOM 0 HE2 TYR A 97 3.185 -8.647 -5.541 1.00 10.00 H new ATOM 0 HH TYR A 97 3.847 -10.716 -5.120 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.812 -6.962 -6.848 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.183 -6.795 -5.452 1.00 10.00 C ATOM 1556 C LEU A 98 -3.549 -7.403 -5.132 1.00 10.00 C ATOM 1557 O LEU A 98 -3.631 -8.193 -4.203 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.095 -5.324 -5.028 1.00 10.00 C ATOM 1559 CG LEU A 98 -0.911 -5.049 -4.080 1.00 10.00 C ATOM 1560 CD1 LEU A 98 0.088 -4.122 -4.754 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -1.387 -4.391 -2.792 1.00 10.00 C ATOM 0 H LEU A 98 -1.412 -6.124 -7.271 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.458 -7.353 -4.860 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -1.997 -4.699 -5.916 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.024 -5.036 -4.536 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.442 -6.005 -3.845 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.922 -3.932 -4.078 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.459 -4.589 -5.666 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.400 -3.179 -5.002 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -0.533 -4.207 -2.140 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -1.875 -3.445 -3.026 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.094 -5.049 -2.287 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.606 -7.096 -5.889 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.926 -7.692 -5.711 1.00 10.00 C ATOM 1575 C LYS A 99 -5.830 -9.195 -5.441 1.00 10.00 C ATOM 1576 O LYS A 99 -6.451 -9.692 -4.508 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.799 -7.469 -6.955 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.538 -6.127 -6.960 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.536 -6.144 -8.130 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.969 -4.735 -8.561 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.592 -4.738 -9.903 1.00 10.00 N ATOM 0 H LYS A 99 -4.565 -6.419 -6.650 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.381 -7.203 -4.850 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.171 -7.530 -7.844 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.529 -8.275 -7.024 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -8.060 -5.975 -6.015 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.833 -5.303 -7.071 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.085 -6.657 -8.980 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.417 -6.718 -7.842 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -9.674 -4.333 -7.834 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -8.103 -4.073 -8.564 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.871 -3.769 -10.159 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -8.910 -5.098 -10.601 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.433 -5.349 -9.894 1.00 10.00 H new ATOM 1595 N LYS A 100 -5.068 -9.920 -6.261 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.950 -11.366 -6.145 1.00 10.00 C ATOM 1597 C LYS A 100 -3.967 -11.714 -5.028 1.00 10.00 C ATOM 1598 O LYS A 100 -4.244 -12.564 -4.192 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.508 -11.952 -7.492 1.00 10.00 C ATOM 1600 CG LYS A 100 -5.480 -11.538 -8.608 1.00 10.00 C ATOM 1601 CD LYS A 100 -6.221 -12.745 -9.205 1.00 10.00 C ATOM 1602 CE LYS A 100 -7.350 -12.275 -10.137 1.00 10.00 C ATOM 1603 NZ LYS A 100 -8.016 -13.400 -10.828 1.00 10.00 N ATOM 0 H LYS A 100 -4.518 -9.519 -7.021 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.915 -11.802 -5.887 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.502 -11.607 -7.732 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -4.465 -13.039 -7.425 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -6.205 -10.827 -8.212 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -4.929 -11.025 -9.396 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.522 -13.372 -9.758 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -6.634 -13.359 -8.404 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -8.088 -11.720 -9.558 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -6.943 -11.587 -10.878 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -8.769 -13.032 -11.444 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -7.319 -13.916 -11.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -8.429 -14.044 -10.124 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.825 -11.032 -5.021 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.708 -11.317 -4.126 1.00 10.00 C ATOM 1619 C ALA A 101 -2.144 -11.170 -2.669 1.00 10.00 C ATOM 1620 O ALA A 101 -1.993 -12.058 -1.838 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.545 -10.370 -4.446 1.00 10.00 C ATOM 0 H ALA A 101 -2.647 -10.250 -5.651 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.377 -12.345 -4.275 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.290 -10.581 -3.779 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.230 -10.517 -5.479 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.868 -9.338 -4.308 1.00 10.00 H new ATOM 1627 N THR A 102 -2.714 -10.008 -2.363 1.00 10.00 N ATOM 1628 CA THR A 102 -3.202 -9.705 -1.037 1.00 10.00 C ATOM 1629 C THR A 102 -4.333 -10.645 -0.651 1.00 10.00 C ATOM 1630 O THR A 102 -4.400 -11.054 0.505 1.00 10.00 O ATOM 1631 CB THR A 102 -3.600 -8.232 -0.948 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.704 -7.908 -1.770 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.377 -7.389 -1.309 1.00 10.00 C ATOM 0 H THR A 102 -2.847 -9.253 -3.036 1.00 10.00 H new ATOM 0 HA THR A 102 -2.404 -9.868 -0.312 1.00 10.00 H new ATOM 0 HB THR A 102 -3.925 -8.019 0.070 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.470 -8.066 -2.709 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.635 -6.331 -1.253 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.568 -7.603 -0.610 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.055 -7.631 -2.322 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.207 -10.977 -1.605 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.255 -11.960 -1.398 1.00 10.00 C ATOM 1643 C ASN A 103 -5.648 -13.287 -0.934 1.00 10.00 C ATOM 1644 O ASN A 103 -6.044 -13.783 0.119 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.122 -12.058 -2.661 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.303 -13.013 -2.555 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.186 -14.128 -2.069 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.464 -12.591 -3.050 1.00 10.00 N ATOM 0 H ASN A 103 -5.202 -10.568 -2.539 1.00 10.00 H new ATOM 0 HA ASN A 103 -6.926 -11.653 -0.595 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.498 -11.064 -2.904 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.492 -12.373 -3.493 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.280 -13.203 -3.029 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.538 -11.656 -3.451 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.671 -13.825 -1.672 1.00 10.00 N ATOM 1656 CA GLU A 104 -4.092 -15.130 -1.384 1.00 10.00 C ATOM 1657 C GLU A 104 -2.667 -15.259 -1.927 1.00 10.00 C ATOM 1658 O GLU A 104 -1.850 -15.869 -1.197 1.00 10.00 O ATOM 1659 CB GLU A 104 -5.000 -16.223 -1.970 1.00 10.00 C ATOM 1660 CG GLU A 104 -5.725 -17.004 -0.867 1.00 10.00 C ATOM 1661 CD GLU A 104 -6.859 -17.845 -1.437 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -6.560 -18.637 -2.357 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -7.993 -17.697 -0.936 1.00 10.00 O ATOM 1664 OXT GLU A 104 -2.433 -14.827 -3.076 1.00 10.00 O ATOM 0 H GLU A 104 -4.263 -13.363 -2.485 1.00 10.00 H new ATOM 0 HA GLU A 104 -4.026 -15.247 -0.302 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -5.733 -15.769 -2.637 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -4.403 -16.909 -2.571 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -5.015 -17.650 -0.350 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -6.122 -16.309 -0.127 1.00 10.00 H new TER 1671 GLU A 104 HETATM 1672 N1 IMD A 105 4.091 4.722 0.357 1.00 10.00 N HETATM 1673 C2 IMD A 105 4.371 3.416 0.197 1.00 10.00 C HETATM 1674 N3 IMD A 105 3.756 2.670 1.127 1.00 10.00 N HETATM 1675 C4 IMD A 105 3.035 3.575 1.911 1.00 10.00 C HETATM 1676 C5 IMD A 105 3.244 4.842 1.436 1.00 10.00 C HETATM 0 HN1 IMD A 105 4.443 5.487 -0.218 1.00 10.00 H new HETATM 0 H5 IMD A 105 2.822 5.765 1.834 1.00 10.00 H new HETATM 0 H4 IMD A 105 2.407 3.314 2.763 1.00 10.00 H new HETATM 0 H2 IMD A 105 5.014 3.016 -0.587 1.00 10.00 H new HETATM 1681 FE HEC A 110 3.834 0.711 1.332 1.00 10.00 FE HETATM 1682 CHA HEC A 110 1.543 1.084 3.882 1.00 10.00 C HETATM 1683 CHB HEC A 110 1.336 -0.062 -0.831 1.00 10.00 C HETATM 1684 CHC HEC A 110 6.117 0.683 -1.206 1.00 10.00 C HETATM 1685 CHD HEC A 110 6.376 0.930 3.597 1.00 10.00 C HETATM 1686 NA HEC A 110 1.825 0.606 1.481 1.00 10.00 N HETATM 1687 C1A HEC A 110 1.095 0.830 2.614 1.00 10.00 C HETATM 1688 C2A HEC A 110 -0.305 0.739 2.286 1.00 10.00 C HETATM 1689 C3A HEC A 110 -0.381 0.430 0.948 1.00 10.00 C HETATM 1690 C4A HEC A 110 0.983 0.304 0.459 1.00 10.00 C HETATM 1691 CMA HEC A 110 -1.660 0.397 0.135 1.00 10.00 C HETATM 1692 CAA HEC A 110 -1.448 0.879 3.279 1.00 10.00 C HETATM 1693 CBA HEC A 110 -1.592 -0.350 4.195 1.00 10.00 C HETATM 1694 CGA HEC A 110 -1.959 -0.051 5.651 1.00 10.00 C HETATM 1695 O1A HEC A 110 -3.130 0.310 5.921 1.00 10.00 O HETATM 1696 O2A HEC A 110 -1.049 -0.198 6.492 1.00 10.00 O HETATM 1697 NB HEC A 110 3.752 0.393 -0.634 1.00 10.00 N HETATM 1698 C1B HEC A 110 2.639 0.017 -1.305 1.00 10.00 C HETATM 1699 C2B HEC A 110 3.035 -0.317 -2.660 1.00 10.00 C HETATM 1700 C3B HEC A 110 4.375 -0.008 -2.796 1.00 10.00 C HETATM 1701 C4B HEC A 110 4.811 0.410 -1.488 1.00 10.00 C HETATM 1702 CMB HEC A 110 2.141 -0.952 -3.696 1.00 10.00 C HETATM 1703 CAB HEC A 110 5.274 -0.169 -4.029 1.00 10.00 C HETATM 1704 CBB HEC A 110 4.702 0.471 -5.303 1.00 10.00 C HETATM 1705 NC HEC A 110 5.853 0.829 1.205 1.00 10.00 N HETATM 1706 C1C HEC A 110 6.576 0.797 0.066 1.00 10.00 C HETATM 1707 C2C HEC A 110 7.980 0.855 0.385 1.00 10.00 C HETATM 1708 C3C HEC A 110 8.059 0.805 1.758 1.00 10.00 C HETATM 1709 C4C HEC A 110 6.699 0.865 2.260 1.00 10.00 C HETATM 1710 CMC HEC A 110 9.127 0.858 -0.612 1.00 10.00 C HETATM 1711 CAC HEC A 110 9.298 0.573 2.604 1.00 10.00 C HETATM 1712 CBC HEC A 110 10.635 1.109 2.080 1.00 10.00 C HETATM 1713 ND HEC A 110 3.935 0.970 3.350 1.00 10.00 N HETATM 1714 C1D HEC A 110 5.085 1.034 4.059 1.00 10.00 C HETATM 1715 C2D HEC A 110 4.742 1.262 5.446 1.00 10.00 C HETATM 1716 C3D HEC A 110 3.375 1.304 5.528 1.00 10.00 C HETATM 1717 C4D HEC A 110 2.871 1.107 4.193 1.00 10.00 C HETATM 1718 CMD HEC A 110 5.683 1.455 6.611 1.00 10.00 C HETATM 1719 CAD HEC A 110 2.575 1.592 6.780 1.00 10.00 C HETATM 1720 CBD HEC A 110 2.380 3.095 7.009 1.00 10.00 C HETATM 1721 CGD HEC A 110 1.832 3.435 8.404 1.00 10.00 C HETATM 1722 O1D HEC A 110 1.957 4.621 8.781 1.00 10.00 O HETATM 1723 O2D HEC A 110 1.330 2.515 9.085 1.00 10.00 O HETATM 0 HMD3 HEC A 110 6.313 0.572 6.720 1.00 10.00 H new HETATM 0 HMD2 HEC A 110 6.310 2.328 6.431 1.00 10.00 H new HETATM 0 HMD1 HEC A 110 5.106 1.605 7.524 1.00 10.00 H new HETATM 0 HMC3 HEC A 110 9.095 -0.055 -1.207 1.00 10.00 H new HETATM 0 HMC2 HEC A 110 9.035 1.723 -1.269 1.00 10.00 H new HETATM 0 HMC1 HEC A 110 10.075 0.908 -0.076 1.00 10.00 H new HETATM 0 HMB3 HEC A 110 1.795 -1.920 -3.334 1.00 10.00 H new HETATM 0 HMB2 HEC A 110 1.283 -0.306 -3.881 1.00 10.00 H new HETATM 0 HMB1 HEC A 110 2.698 -1.089 -4.623 1.00 10.00 H new HETATM 0 HMA3 HEC A 110 -2.343 -0.337 0.562 1.00 10.00 H new HETATM 0 HMA2 HEC A 110 -2.128 1.381 0.153 1.00 10.00 H new HETATM 0 HMA1 HEC A 110 -1.430 0.123 -0.895 1.00 10.00 H new HETATM 0 HBD2 HEC A 110 3.334 3.603 6.868 1.00 10.00 H new HETATM 0 HBD1 HEC A 110 1.697 3.484 6.254 1.00 10.00 H new HETATM 0 HBC3 HEC A 110 10.859 0.650 1.117 1.00 10.00 H new HETATM 0 HBC2 HEC A 110 10.572 2.191 1.960 1.00 10.00 H new HETATM 0 HBC1 HEC A 110 11.427 0.868 2.790 1.00 10.00 H new HETATM 0 HBB3 HEC A 110 3.742 0.012 -5.541 1.00 10.00 H new HETATM 0 HBB2 HEC A 110 4.563 1.540 -5.142 1.00 10.00 H new HETATM 0 HBB1 HEC A 110 5.394 0.315 -6.131 1.00 10.00 H new HETATM 0 HBA2 HEC A 110 -2.354 -1.007 3.775 1.00 10.00 H new HETATM 0 HBA1 HEC A 110 -0.652 -0.902 4.182 1.00 10.00 H new HETATM 0 HAD2 HEC A 110 1.601 1.108 6.706 1.00 10.00 H new HETATM 0 HAD1 HEC A 110 3.082 1.158 7.641 1.00 10.00 H new HETATM 0 HAA2 HEC A 110 -1.286 1.766 3.891 1.00 10.00 H new HETATM 0 HAA1 HEC A 110 -2.380 1.033 2.735 1.00 10.00 H new HETATM 0 HHD HEC A 110 7.185 0.897 4.327 1.00 10.00 H new HETATM 0 HHC HEC A 110 6.817 0.814 -2.031 1.00 10.00 H new HETATM 0 HHB HEC A 110 0.558 -0.427 -1.501 1.00 10.00 H new HETATM 0 HHA HEC A 110 0.814 1.274 4.670 1.00 10.00 H new HETATM 0 H2D HEC A 110 1.053 2.867 9.957 1.00 10.00 H new HETATM 0 H2A HEC A 110 -1.376 -0.746 7.235 1.00 10.00 H new