USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 TYR OH : rot -131:sc= 1.52 USER MOD Set 1.2: A 78 THR OG1 : rot 160:sc= 0.859 USER MOD Set 2.1: A 58 THR OG1 : rot -169:sc= 0.987 USER MOD Set 2.2: A 60 LYS NZ :NH3+ -178:sc= 1.21 (180deg=0) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -120:sc= 1.15 (180deg=0) USER MOD Set 3.2: A 42 GLN : amide:sc= 1.04 K(o=2.2,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -163:sc= -2.68 (180deg=-3.07) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 164:sc= 0.85 (180deg=0.62) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 164:sc= -0.665 USER MOD Single : A 16 GLN : amide:sc= 1.16 K(o=1.2,f=-1.4!) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.199 K(o=0.2,f=-5.2!) USER MOD Single : A 19 THR OG1 : rot 56:sc= 0.396 USER MOD Single : A 28 THR OG1 : rot 12:sc= 0.375 USER MOD Single : A 31 ASN : amide:sc= -0.253 K(o=-0.25,f=-2.5!) USER MOD Single : A 33 HIS : no HD1:sc= -0.018 X(o=-0.018,f=0) USER MOD Single : A 40 THR OG1 : rot -106:sc= 1.41 USER MOD Single : A 47 THR OG1 : rot 22:sc= 0.473 USER MOD Single : A 48 TYR OH : rot 47:sc= 0.989 USER MOD Single : A 49 THR OG1 : rot 170:sc= 0.261 USER MOD Single : A 52 ASN : amide:sc= 0.369 K(o=0.37,f=-0.92!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.228 K(o=-0.23,f=-0.8) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.17) USER MOD Single : A 63 THR OG1 : rot 25:sc= 1.07 USER MOD Single : A 65 MET CE :methyl 172:sc= -0.0234 (180deg=-0.15) USER MOD Single : A 70 ASN : amide:sc= -0.541 K(o=-0.54,f=-2.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -110:sc= -0.244 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.128 (180deg=-0.128) 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= 0.0197 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 68:sc= 1.13 USER MOD Single : A 103 ASN : amide:sc= 0.38 K(o=0.38,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.576 10.253 3.908 1.00 0.00 N ATOM 2 CA GLY A 1 -10.699 10.657 4.993 1.00 0.00 C ATOM 3 C GLY A 1 -9.815 11.720 4.361 1.00 0.00 C ATOM 4 O GLY A 1 -10.290 12.340 3.409 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.398 9.747 4.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.900 11.096 3.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.059 9.627 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.262 11.054 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.112 9.818 5.368 1.00 0.00 H new ATOM 10 N ASP A 2 -8.595 11.916 4.835 1.00 0.00 N ATOM 11 CA ASP A 2 -7.719 12.991 4.386 1.00 0.00 C ATOM 12 C ASP A 2 -6.261 12.529 4.403 1.00 0.00 C ATOM 13 O ASP A 2 -5.948 11.478 4.954 1.00 0.00 O ATOM 14 CB ASP A 2 -7.950 14.223 5.274 1.00 0.00 C ATOM 15 CG ASP A 2 -7.348 15.472 4.655 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.113 15.611 4.789 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.102 16.213 3.995 1.00 0.00 O ATOM 0 H ASP A 2 -8.177 11.325 5.554 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.951 13.264 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.020 14.369 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.509 14.053 6.256 1.00 0.00 H new ATOM 22 N VAL A 3 -5.357 13.317 3.823 1.00 0.00 N ATOM 23 CA VAL A 3 -3.931 13.092 3.954 1.00 0.00 C ATOM 24 C VAL A 3 -3.492 13.321 5.394 1.00 0.00 C ATOM 25 O VAL A 3 -2.612 12.618 5.887 1.00 0.00 O ATOM 26 CB VAL A 3 -3.145 13.958 2.951 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.412 15.467 3.046 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.636 13.729 3.070 1.00 0.00 C ATOM 0 H VAL A 3 -5.599 14.126 3.251 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.709 12.053 3.709 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.515 13.625 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.813 15.990 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.469 15.662 2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.144 15.822 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.115 14.357 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.307 13.986 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.410 12.681 2.871 1.00 0.00 H new ATOM 38 N GLU A 4 -4.101 14.289 6.078 1.00 0.00 N ATOM 39 CA GLU A 4 -3.663 14.688 7.399 1.00 0.00 C ATOM 40 C GLU A 4 -3.797 13.534 8.376 1.00 0.00 C ATOM 41 O GLU A 4 -2.827 13.160 9.036 1.00 0.00 O ATOM 42 CB GLU A 4 -4.411 15.948 7.858 1.00 0.00 C ATOM 43 CG GLU A 4 -3.854 17.195 7.156 1.00 0.00 C ATOM 44 CD GLU A 4 -2.374 17.368 7.472 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.057 17.635 8.647 1.00 0.00 O ATOM 46 OE2 GLU A 4 -1.547 17.039 6.590 1.00 0.00 O ATOM 0 H GLU A 4 -4.905 14.810 5.728 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.605 14.947 7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.474 15.846 7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.317 16.060 8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.994 17.106 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.406 18.078 7.478 1.00 0.00 H new ATOM 53 N LYS A 5 -4.995 12.959 8.437 1.00 0.00 N ATOM 54 CA LYS A 5 -5.252 11.789 9.250 1.00 0.00 C ATOM 55 C LYS A 5 -4.679 10.551 8.562 1.00 0.00 C ATOM 56 O LYS A 5 -4.035 9.749 9.232 1.00 0.00 O ATOM 57 CB LYS A 5 -6.751 11.683 9.540 1.00 0.00 C ATOM 58 CG LYS A 5 -7.214 12.841 10.439 1.00 0.00 C ATOM 59 CD LYS A 5 -7.512 12.360 11.865 1.00 0.00 C ATOM 60 CE LYS A 5 -7.780 13.572 12.772 1.00 0.00 C ATOM 61 NZ LYS A 5 -8.228 13.184 14.124 1.00 0.00 N ATOM 0 H LYS A 5 -5.809 13.295 7.923 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.751 11.873 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.309 11.697 8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.966 10.731 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.444 13.612 10.467 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.107 13.299 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.377 11.696 11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.670 11.785 12.249 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.871 14.169 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.538 14.205 12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.394 14.038 14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.110 12.638 14.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.496 12.602 14.579 1.00 0.00 H new ATOM 75 N GLY A 6 -4.849 10.407 7.242 1.00 0.00 N ATOM 76 CA GLY A 6 -4.389 9.224 6.524 1.00 0.00 C ATOM 77 C GLY A 6 -2.914 8.950 6.790 1.00 0.00 C ATOM 78 O GLY A 6 -2.561 7.848 7.202 1.00 0.00 O ATOM 0 H GLY A 6 -5.305 11.102 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.981 8.360 6.826 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.548 9.361 5.454 1.00 0.00 H new ATOM 82 N LYS A 7 -2.052 9.954 6.601 1.00 0.00 N ATOM 83 CA LYS A 7 -0.618 9.786 6.781 1.00 0.00 C ATOM 84 C LYS A 7 -0.260 9.421 8.215 1.00 0.00 C ATOM 85 O LYS A 7 0.631 8.609 8.448 1.00 0.00 O ATOM 86 CB LYS A 7 0.166 10.957 6.173 1.00 0.00 C ATOM 87 CG LYS A 7 0.270 12.155 7.105 1.00 0.00 C ATOM 88 CD LYS A 7 0.751 13.381 6.308 1.00 0.00 C ATOM 89 CE LYS A 7 1.114 14.605 7.166 1.00 0.00 C ATOM 90 NZ LYS A 7 -0.063 15.271 7.764 1.00 0.00 N ATOM 0 H LYS A 7 -2.331 10.895 6.322 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.292 8.918 6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.169 10.619 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.316 11.267 5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.699 12.361 7.561 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.965 11.939 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.623 13.095 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.029 13.667 5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.790 14.294 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.655 15.323 6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.247 15.902 8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.555 15.827 7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.710 14.553 8.148 1.00 0.00 H new ATOM 104 N LYS A 8 -0.998 9.975 9.177 1.00 0.00 N ATOM 105 CA LYS A 8 -0.756 9.724 10.586 1.00 0.00 C ATOM 106 C LYS A 8 -1.062 8.259 10.872 1.00 0.00 C ATOM 107 O LYS A 8 -0.228 7.530 11.406 1.00 0.00 O ATOM 108 CB LYS A 8 -1.641 10.656 11.440 1.00 0.00 C ATOM 109 CG LYS A 8 -0.864 11.640 12.324 1.00 0.00 C ATOM 110 CD LYS A 8 -0.416 11.059 13.676 1.00 0.00 C ATOM 111 CE LYS A 8 0.752 10.067 13.558 1.00 0.00 C ATOM 112 NZ LYS A 8 1.388 9.798 14.864 1.00 0.00 N ATOM 0 H LYS A 8 -1.777 10.608 8.996 1.00 0.00 H new ATOM 0 HA LYS A 8 0.284 9.928 10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.295 11.222 10.777 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.282 10.045 12.075 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.016 11.982 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.487 12.516 12.507 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.123 11.876 14.335 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.262 10.558 14.146 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.390 9.131 13.132 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.496 10.465 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.170 9.124 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.757 10.686 15.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.685 9.394 15.516 1.00 0.00 H new ATOM 126 N ILE A 9 -2.279 7.843 10.529 1.00 0.00 N ATOM 127 CA ILE A 9 -2.812 6.549 10.885 1.00 0.00 C ATOM 128 C ILE A 9 -2.020 5.481 10.139 1.00 0.00 C ATOM 129 O ILE A 9 -1.643 4.470 10.732 1.00 0.00 O ATOM 130 CB ILE A 9 -4.313 6.563 10.555 1.00 0.00 C ATOM 131 CG1 ILE A 9 -5.105 7.507 11.481 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.909 5.156 10.591 1.00 0.00 C ATOM 133 CD1 ILE A 9 -5.263 7.007 12.925 1.00 0.00 C ATOM 0 H ILE A 9 -2.927 8.413 9.986 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.714 6.320 11.946 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.401 6.947 9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.608 8.477 11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.096 7.664 11.055 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.972 5.205 10.353 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.402 4.527 9.859 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.779 4.731 11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.833 7.735 13.502 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.790 6.053 12.924 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.279 6.878 13.375 1.00 0.00 H new ATOM 145 N PHE A 10 -1.738 5.736 8.859 1.00 0.00 N ATOM 146 CA PHE A 10 -0.807 4.958 8.068 1.00 0.00 C ATOM 147 C PHE A 10 0.492 4.796 8.838 1.00 0.00 C ATOM 148 O PHE A 10 0.803 3.693 9.263 1.00 0.00 O ATOM 149 CB PHE A 10 -0.568 5.658 6.717 1.00 0.00 C ATOM 150 CG PHE A 10 0.614 5.152 5.913 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.893 5.681 6.133 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.470 4.080 5.029 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.031 5.089 5.582 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.606 3.478 4.466 1.00 0.00 C ATOM 155 CZ PHE A 10 2.889 3.965 4.757 1.00 0.00 C ATOM 0 H PHE A 10 -2.163 6.506 8.342 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.218 3.968 7.871 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.468 5.553 6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.429 6.723 6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.001 6.566 6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.515 3.715 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.011 5.493 5.789 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.491 2.633 3.803 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.761 3.477 4.348 1.00 0.00 H new ATOM 165 N VAL A 11 1.250 5.872 9.051 1.00 0.00 N ATOM 166 CA VAL A 11 2.561 5.772 9.658 1.00 0.00 C ATOM 167 C VAL A 11 2.477 5.006 10.987 1.00 0.00 C ATOM 168 O VAL A 11 3.352 4.197 11.289 1.00 0.00 O ATOM 169 CB VAL A 11 3.195 7.176 9.778 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.255 7.217 10.872 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.827 7.688 8.473 1.00 0.00 C ATOM 0 H VAL A 11 0.970 6.822 8.808 1.00 0.00 H new ATOM 0 HA VAL A 11 3.228 5.190 9.022 1.00 0.00 H new ATOM 0 HB VAL A 11 2.362 7.833 10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.680 8.219 10.929 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.800 6.961 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.044 6.501 10.642 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.250 8.679 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.615 7.004 8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.064 7.744 7.697 1.00 0.00 H new ATOM 181 N GLN A 12 1.410 5.222 11.764 1.00 0.00 N ATOM 182 CA GLN A 12 1.202 4.538 13.031 1.00 0.00 C ATOM 183 C GLN A 12 1.227 3.005 12.924 1.00 0.00 C ATOM 184 O GLN A 12 1.583 2.365 13.911 1.00 0.00 O ATOM 185 CB GLN A 12 -0.088 5.038 13.710 1.00 0.00 C ATOM 186 CG GLN A 12 0.200 5.651 15.084 1.00 0.00 C ATOM 187 CD GLN A 12 -1.057 6.263 15.695 1.00 0.00 C ATOM 188 OE1 GLN A 12 -1.582 7.242 15.177 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.535 5.715 16.808 1.00 0.00 N ATOM 0 H GLN A 12 0.668 5.880 11.525 1.00 0.00 H new ATOM 0 HA GLN A 12 2.055 4.793 13.660 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.571 5.780 13.074 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.787 4.209 13.820 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.594 4.884 15.751 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.970 6.417 14.988 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.075 4.900 17.214 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.362 6.109 17.256 1.00 0.00 H new ATOM 198 N LYS A 13 0.819 2.407 11.794 1.00 0.00 N ATOM 199 CA LYS A 13 0.773 0.944 11.656 1.00 0.00 C ATOM 200 C LYS A 13 1.290 0.344 10.339 1.00 0.00 C ATOM 201 O LYS A 13 1.360 -0.880 10.225 1.00 0.00 O ATOM 202 CB LYS A 13 -0.631 0.422 11.967 1.00 0.00 C ATOM 203 CG LYS A 13 -1.769 1.172 11.271 1.00 0.00 C ATOM 204 CD LYS A 13 -2.558 1.975 12.312 1.00 0.00 C ATOM 205 CE LYS A 13 -3.400 1.082 13.248 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.575 1.672 14.589 1.00 0.00 N ATOM 0 H LYS A 13 0.516 2.915 10.963 1.00 0.00 H new ATOM 0 HA LYS A 13 1.497 0.597 12.393 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.682 -0.629 11.684 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.790 0.470 13.044 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.367 1.839 10.508 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.427 0.467 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.864 2.566 12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.216 2.677 11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.379 0.913 12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.920 0.108 13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.147 1.033 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.644 1.810 15.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.057 2.589 14.504 1.00 0.00 H new ATOM 220 N CYS A 14 1.652 1.157 9.353 1.00 0.00 N ATOM 221 CA CYS A 14 2.048 0.710 8.024 1.00 0.00 C ATOM 222 C CYS A 14 3.551 0.923 7.879 1.00 0.00 C ATOM 223 O CYS A 14 4.269 0.049 7.404 1.00 0.00 O ATOM 224 CB CYS A 14 1.337 1.499 6.953 1.00 0.00 C ATOM 225 SG CYS A 14 -0.484 1.526 6.999 1.00 0.00 S ATOM 0 H CYS A 14 1.679 2.171 9.459 1.00 0.00 H new ATOM 0 HA CYS A 14 1.785 -0.341 7.908 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.690 2.529 7.003 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.643 1.104 5.984 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.923 2.498 6.255 1.00 0.00 H new ATOM 230 N ALA A 15 4.035 2.096 8.303 1.00 0.00 N ATOM 231 CA ALA A 15 5.416 2.524 8.123 1.00 0.00 C ATOM 232 C ALA A 15 6.442 1.557 8.698 1.00 0.00 C ATOM 233 O ALA A 15 7.550 1.475 8.175 1.00 0.00 O ATOM 234 CB ALA A 15 5.626 3.896 8.733 1.00 0.00 C ATOM 0 H ALA A 15 3.461 2.784 8.790 1.00 0.00 H new ATOM 0 HA ALA A 15 5.578 2.553 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.662 4.203 8.591 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.965 4.615 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.402 3.858 9.799 1.00 0.00 H new ATOM 240 N GLN A 16 6.085 0.831 9.763 1.00 0.00 N ATOM 241 CA GLN A 16 6.896 -0.257 10.286 1.00 0.00 C ATOM 242 C GLN A 16 7.444 -1.140 9.153 1.00 0.00 C ATOM 243 O GLN A 16 8.602 -1.554 9.200 1.00 0.00 O ATOM 244 CB GLN A 16 6.090 -1.069 11.310 1.00 0.00 C ATOM 245 CG GLN A 16 4.704 -1.532 10.829 1.00 0.00 C ATOM 246 CD GLN A 16 4.110 -2.630 11.713 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.820 -3.326 12.431 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.793 -2.806 11.670 1.00 0.00 N ATOM 0 H GLN A 16 5.222 0.987 10.283 1.00 0.00 H new ATOM 0 HA GLN A 16 7.761 0.166 10.798 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.671 -1.947 11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.963 -0.467 12.210 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.026 -0.679 10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.783 -1.898 9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.219 -2.217 11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.356 -3.530 12.241 1.00 0.00 H new ATOM 257 N CYS A 17 6.600 -1.400 8.147 1.00 0.00 N ATOM 258 CA CYS A 17 6.902 -2.187 6.969 1.00 0.00 C ATOM 259 C CYS A 17 7.132 -1.299 5.734 1.00 0.00 C ATOM 260 O CYS A 17 7.817 -1.736 4.816 1.00 0.00 O ATOM 261 CB CYS A 17 5.789 -3.178 6.724 1.00 0.00 C ATOM 262 SG CYS A 17 5.580 -4.375 8.084 1.00 0.00 S ATOM 0 H CYS A 17 5.644 -1.045 8.143 1.00 0.00 H new ATOM 0 HA CYS A 17 7.831 -2.729 7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.854 -2.636 6.579 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.990 -3.720 5.800 1.00 0.00 H new ATOM 0 HG CYS A 17 4.606 -5.188 7.800 1.00 0.00 H new ATOM 267 N HIS A 18 6.561 -0.083 5.671 1.00 0.00 N ATOM 268 CA HIS A 18 6.544 0.744 4.460 1.00 0.00 C ATOM 269 C HIS A 18 6.991 2.181 4.718 1.00 0.00 C ATOM 270 O HIS A 18 6.153 3.075 4.824 1.00 0.00 O ATOM 271 CB HIS A 18 5.116 0.799 3.913 1.00 0.00 C ATOM 272 CG HIS A 18 4.643 -0.505 3.367 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.910 -0.969 2.104 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.635 -1.256 3.897 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.081 -1.992 1.878 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.300 -2.227 2.941 1.00 0.00 N ATOM 0 H HIS A 18 6.096 0.353 6.467 1.00 0.00 H new ATOM 0 HA HIS A 18 7.239 0.287 3.756 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.442 1.118 4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.064 1.554 3.128 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.610 -0.602 1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.181 -1.128 4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.045 -2.556 0.958 1.00 0.00 H new ATOM 284 N THR A 19 8.290 2.466 4.764 1.00 0.00 N ATOM 285 CA THR A 19 8.722 3.809 5.110 1.00 0.00 C ATOM 286 C THR A 19 8.670 4.781 3.918 1.00 0.00 C ATOM 287 O THR A 19 9.679 5.423 3.621 1.00 0.00 O ATOM 288 CB THR A 19 10.110 3.759 5.761 1.00 0.00 C ATOM 289 OG1 THR A 19 11.099 3.401 4.820 1.00 0.00 O ATOM 290 CG2 THR A 19 10.184 2.809 6.957 1.00 0.00 C ATOM 0 H THR A 19 9.040 1.803 4.571 1.00 0.00 H new ATOM 0 HA THR A 19 8.015 4.210 5.836 1.00 0.00 H new ATOM 0 HB THR A 19 10.296 4.767 6.131 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.068 4.020 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.193 2.822 7.370 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.475 3.129 7.721 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.937 1.798 6.634 1.00 0.00 H new ATOM 298 N VAL A 20 7.517 4.941 3.255 1.00 0.00 N ATOM 299 CA VAL A 20 7.318 5.878 2.160 1.00 0.00 C ATOM 300 C VAL A 20 7.152 7.309 2.706 1.00 0.00 C ATOM 301 O VAL A 20 6.164 7.982 2.436 1.00 0.00 O ATOM 302 CB VAL A 20 6.163 5.379 1.268 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.844 5.173 2.021 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.953 6.291 0.057 1.00 0.00 C ATOM 0 H VAL A 20 6.679 4.404 3.478 1.00 0.00 H new ATOM 0 HA VAL A 20 8.196 5.925 1.515 1.00 0.00 H new ATOM 0 HB VAL A 20 6.475 4.395 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.080 4.822 1.327 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.987 4.433 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.526 6.117 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.131 5.908 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.714 7.299 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.864 6.317 -0.542 1.00 0.00 H new ATOM 426 N THR A 28 10.306 -5.329 4.786 1.00 0.00 N ATOM 427 CA THR A 28 9.105 -6.141 5.025 1.00 0.00 C ATOM 428 C THR A 28 7.878 -5.625 4.268 1.00 0.00 C ATOM 429 O THR A 28 6.871 -6.323 4.228 1.00 0.00 O ATOM 430 CB THR A 28 8.780 -6.361 6.522 1.00 0.00 C ATOM 431 OG1 THR A 28 9.938 -6.296 7.328 1.00 0.00 O ATOM 432 CG2 THR A 28 8.126 -7.724 6.775 1.00 0.00 C ATOM 0 HA THR A 28 9.359 -7.120 4.619 1.00 0.00 H new ATOM 0 HB THR A 28 8.090 -5.560 6.787 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.683 -5.938 6.802 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.916 -7.835 7.839 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.195 -7.791 6.212 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.802 -8.517 6.454 1.00 0.00 H new ATOM 440 N GLY A 29 7.952 -4.454 3.635 1.00 0.00 N ATOM 441 CA GLY A 29 6.928 -3.926 2.753 1.00 0.00 C ATOM 442 C GLY A 29 7.672 -3.096 1.711 1.00 0.00 C ATOM 443 O GLY A 29 8.663 -2.456 2.058 1.00 0.00 O ATOM 0 H GLY A 29 8.755 -3.832 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.363 -4.731 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.213 -3.314 3.304 1.00 0.00 H new ATOM 447 N PRO A 30 7.319 -3.138 0.422 1.00 0.00 N ATOM 448 CA PRO A 30 8.000 -2.307 -0.551 1.00 0.00 C ATOM 449 C PRO A 30 7.812 -0.823 -0.218 1.00 0.00 C ATOM 450 O PRO A 30 6.717 -0.407 0.149 1.00 0.00 O ATOM 451 CB PRO A 30 7.407 -2.663 -1.917 1.00 0.00 C ATOM 452 CG PRO A 30 6.716 -4.013 -1.701 1.00 0.00 C ATOM 453 CD PRO A 30 6.393 -4.057 -0.210 1.00 0.00 C ATOM 0 HA PRO A 30 9.075 -2.485 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.699 -1.905 -2.251 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.183 -2.733 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.811 -4.094 -2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.366 -4.840 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.360 -3.761 -0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.511 -5.066 0.186 1.00 0.00 H new ATOM 461 N ASN A 31 8.851 0.006 -0.350 1.00 0.00 N ATOM 462 CA ASN A 31 8.643 1.448 -0.396 1.00 0.00 C ATOM 463 C ASN A 31 7.658 1.782 -1.529 1.00 0.00 C ATOM 464 O ASN A 31 7.976 1.616 -2.702 1.00 0.00 O ATOM 465 CB ASN A 31 9.971 2.213 -0.507 1.00 0.00 C ATOM 466 CG ASN A 31 10.779 1.906 -1.767 1.00 0.00 C ATOM 467 OD1 ASN A 31 10.743 2.646 -2.744 1.00 0.00 O ATOM 468 ND2 ASN A 31 11.571 0.838 -1.731 1.00 0.00 N ATOM 0 H ASN A 31 9.824 -0.292 -0.425 1.00 0.00 H new ATOM 0 HA ASN A 31 8.200 1.779 0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.763 3.282 -0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.582 1.982 0.366 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.168 0.618 -2.529 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.582 0.239 -0.906 1.00 0.00 H new ATOM 475 N LEU A 32 6.445 2.208 -1.157 1.00 0.00 N ATOM 476 CA LEU A 32 5.303 2.378 -2.057 1.00 0.00 C ATOM 477 C LEU A 32 5.626 3.335 -3.215 1.00 0.00 C ATOM 478 O LEU A 32 5.145 3.154 -4.335 1.00 0.00 O ATOM 479 CB LEU A 32 4.083 2.871 -1.254 1.00 0.00 C ATOM 480 CG LEU A 32 3.697 2.019 -0.032 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.409 2.528 0.615 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.455 0.568 -0.424 1.00 0.00 C ATOM 0 H LEU A 32 6.227 2.451 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 32 5.070 1.411 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.281 3.888 -0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.225 2.919 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 32 4.531 2.093 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.163 1.905 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.548 3.559 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.596 2.483 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.184 -0.008 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.645 0.518 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.363 0.153 -0.863 1.00 0.00 H new ATOM 494 N HIS A 33 6.433 4.362 -2.913 1.00 0.00 N ATOM 495 CA HIS A 33 7.091 5.289 -3.831 1.00 0.00 C ATOM 496 C HIS A 33 6.336 5.486 -5.149 1.00 0.00 C ATOM 497 O HIS A 33 6.712 4.945 -6.190 1.00 0.00 O ATOM 498 CB HIS A 33 8.544 4.839 -4.038 1.00 0.00 C ATOM 499 CG HIS A 33 9.462 5.930 -4.529 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.452 6.533 -3.787 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.474 6.505 -5.773 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.041 7.455 -4.568 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.482 7.472 -5.789 1.00 0.00 N ATOM 0 H HIS A 33 6.657 4.579 -1.942 1.00 0.00 H new ATOM 0 HA HIS A 33 7.087 6.279 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.930 4.450 -3.096 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.560 4.016 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.820 6.255 -6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.853 8.095 -4.256 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.742 8.072 -6.572 1.00 0.00 H new ATOM 511 N GLY A 34 5.260 6.271 -5.106 1.00 0.00 N ATOM 512 CA GLY A 34 4.397 6.501 -6.249 1.00 0.00 C ATOM 513 C GLY A 34 3.092 5.740 -6.062 1.00 0.00 C ATOM 514 O GLY A 34 2.027 6.350 -6.004 1.00 0.00 O ATOM 0 H GLY A 34 4.966 6.767 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.196 7.567 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.892 6.175 -7.164 1.00 0.00 H new ATOM 518 N LEU A 35 3.167 4.413 -5.948 1.00 0.00 N ATOM 519 CA LEU A 35 2.010 3.547 -5.770 1.00 0.00 C ATOM 520 C LEU A 35 1.027 3.660 -6.958 1.00 0.00 C ATOM 521 O LEU A 35 1.040 2.836 -7.873 1.00 0.00 O ATOM 522 CB LEU A 35 1.366 3.829 -4.393 1.00 0.00 C ATOM 523 CG LEU A 35 0.906 2.567 -3.659 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.108 3.006 -2.427 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.055 1.692 -4.571 1.00 0.00 C ATOM 0 H LEU A 35 4.051 3.905 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 35 2.326 2.504 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.084 4.361 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.511 4.491 -4.530 1.00 0.00 H new ATOM 0 HG LEU A 35 1.768 1.973 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.234 2.126 -1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.743 3.610 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.753 3.595 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.261 0.801 -4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.823 2.250 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.640 1.398 -5.443 1.00 0.00 H new ATOM 537 N PHE A 36 0.195 4.702 -6.965 1.00 0.00 N ATOM 538 CA PHE A 36 -0.817 4.963 -7.974 1.00 0.00 C ATOM 539 C PHE A 36 -0.171 5.083 -9.343 1.00 0.00 C ATOM 540 O PHE A 36 0.861 5.738 -9.487 1.00 0.00 O ATOM 541 CB PHE A 36 -1.603 6.234 -7.634 1.00 0.00 C ATOM 542 CG PHE A 36 -2.463 6.085 -6.399 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.881 6.163 -5.120 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.792 5.647 -6.531 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.598 5.735 -3.994 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.512 5.244 -5.399 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.918 5.285 -4.129 1.00 0.00 C ATOM 0 H PHE A 36 0.213 5.414 -6.234 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.516 4.127 -7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.905 7.058 -7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.236 6.500 -8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.880 6.553 -5.006 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.258 5.621 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.132 5.752 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.530 4.900 -5.505 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.476 4.971 -3.259 1.00 0.00 H new ATOM 557 N GLY A 37 -0.750 4.419 -10.347 1.00 0.00 N ATOM 558 CA GLY A 37 -0.213 4.470 -11.699 1.00 0.00 C ATOM 559 C GLY A 37 0.991 3.540 -11.879 1.00 0.00 C ATOM 560 O GLY A 37 1.371 3.240 -13.011 1.00 0.00 O ATOM 0 H GLY A 37 -1.586 3.844 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.993 4.193 -12.409 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.082 5.493 -11.933 1.00 0.00 H new ATOM 564 N ARG A 38 1.619 3.088 -10.789 1.00 0.00 N ATOM 565 CA ARG A 38 2.871 2.361 -10.860 1.00 0.00 C ATOM 566 C ARG A 38 2.576 0.919 -11.255 1.00 0.00 C ATOM 567 O ARG A 38 2.407 0.051 -10.400 1.00 0.00 O ATOM 568 CB ARG A 38 3.618 2.512 -9.529 1.00 0.00 C ATOM 569 CG ARG A 38 5.125 2.239 -9.662 1.00 0.00 C ATOM 570 CD ARG A 38 5.908 3.099 -8.661 1.00 0.00 C ATOM 571 NE ARG A 38 5.847 4.530 -9.024 1.00 0.00 N ATOM 572 CZ ARG A 38 6.858 5.315 -9.437 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.056 4.794 -9.725 1.00 0.00 N ATOM 574 NH2 ARG A 38 6.658 6.630 -9.587 1.00 0.00 N ATOM 0 H ARG A 38 1.268 3.220 -9.840 1.00 0.00 H new ATOM 0 HA ARG A 38 3.535 2.764 -11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.468 3.521 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.191 1.826 -8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.328 1.183 -9.483 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.454 2.459 -10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.501 2.957 -7.660 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.948 2.772 -8.632 1.00 0.00 H new ATOM 0 HE ARG A 38 4.932 4.974 -8.953 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.211 3.790 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.814 5.401 -10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.742 7.032 -9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.422 7.230 -9.900 1.00 0.00 H new ATOM 588 N LYS A 39 2.475 0.710 -12.572 1.00 0.00 N ATOM 589 CA LYS A 39 2.178 -0.553 -13.234 1.00 0.00 C ATOM 590 C LYS A 39 2.776 -1.747 -12.485 1.00 0.00 C ATOM 591 O LYS A 39 3.978 -2.000 -12.552 1.00 0.00 O ATOM 592 CB LYS A 39 2.575 -0.473 -14.718 1.00 0.00 C ATOM 593 CG LYS A 39 4.081 -0.335 -15.012 1.00 0.00 C ATOM 594 CD LYS A 39 4.278 0.278 -16.412 1.00 0.00 C ATOM 595 CE LYS A 39 5.348 -0.406 -17.276 1.00 0.00 C ATOM 596 NZ LYS A 39 6.706 -0.326 -16.704 1.00 0.00 N ATOM 0 H LYS A 39 2.608 1.469 -13.240 1.00 0.00 H new ATOM 0 HA LYS A 39 1.103 -0.729 -13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.209 -1.369 -15.220 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.059 0.377 -15.165 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.553 0.295 -14.258 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.563 -1.311 -14.960 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.327 0.244 -16.944 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.542 1.329 -16.298 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.080 -1.454 -17.410 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.352 0.051 -18.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.333 0.173 -17.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.673 0.192 -15.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.070 -1.286 -16.539 1.00 0.00 H new ATOM 610 N THR A 40 1.926 -2.443 -11.730 1.00 0.00 N ATOM 611 CA THR A 40 2.291 -3.541 -10.876 1.00 0.00 C ATOM 612 C THR A 40 2.797 -4.705 -11.722 1.00 0.00 C ATOM 613 O THR A 40 2.530 -4.785 -12.921 1.00 0.00 O ATOM 614 CB THR A 40 1.019 -3.927 -10.120 1.00 0.00 C ATOM 615 OG1 THR A 40 0.304 -2.758 -9.757 1.00 0.00 O ATOM 616 CG2 THR A 40 1.319 -4.761 -8.880 1.00 0.00 C ATOM 0 H THR A 40 0.927 -2.238 -11.706 1.00 0.00 H new ATOM 0 HA THR A 40 3.089 -3.274 -10.183 1.00 0.00 H new ATOM 0 HB THR A 40 0.412 -4.540 -10.786 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.401 -2.601 -8.795 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.386 -5.011 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.830 -5.678 -9.173 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.956 -4.191 -8.203 1.00 0.00 H new ATOM 624 N GLY A 41 3.498 -5.637 -11.087 1.00 0.00 N ATOM 625 CA GLY A 41 4.063 -6.773 -11.789 1.00 0.00 C ATOM 626 C GLY A 41 5.391 -6.367 -12.419 1.00 0.00 C ATOM 627 O GLY A 41 5.748 -6.835 -13.498 1.00 0.00 O ATOM 0 H GLY A 41 3.687 -5.624 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.214 -7.603 -11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.373 -7.119 -12.559 1.00 0.00 H new ATOM 631 N GLN A 42 6.117 -5.490 -11.720 1.00 0.00 N ATOM 632 CA GLN A 42 7.363 -4.873 -12.095 1.00 0.00 C ATOM 633 C GLN A 42 7.739 -4.019 -10.885 1.00 0.00 C ATOM 634 O GLN A 42 6.943 -3.227 -10.382 1.00 0.00 O ATOM 635 CB GLN A 42 7.243 -4.006 -13.364 1.00 0.00 C ATOM 636 CG GLN A 42 7.912 -4.669 -14.580 1.00 0.00 C ATOM 637 CD GLN A 42 8.073 -3.710 -15.756 1.00 0.00 C ATOM 638 OE1 GLN A 42 7.533 -2.605 -15.763 1.00 0.00 O ATOM 639 NE2 GLN A 42 8.839 -4.112 -16.766 1.00 0.00 N ATOM 0 H GLN A 42 5.809 -5.176 -10.800 1.00 0.00 H new ATOM 0 HA GLN A 42 8.116 -5.621 -12.342 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.190 -3.827 -13.582 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.701 -3.034 -13.183 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.891 -5.049 -14.289 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.318 -5.527 -14.894 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.277 -5.033 -16.739 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.989 -3.500 -17.568 1.00 0.00 H new ATOM 648 N ALA A 43 8.950 -4.235 -10.399 1.00 0.00 N ATOM 649 CA ALA A 43 9.666 -3.424 -9.433 1.00 0.00 C ATOM 650 C ALA A 43 11.148 -3.785 -9.605 1.00 0.00 C ATOM 651 O ALA A 43 11.448 -4.582 -10.496 1.00 0.00 O ATOM 652 CB ALA A 43 9.132 -3.722 -8.031 1.00 0.00 C ATOM 0 H ALA A 43 9.498 -5.044 -10.693 1.00 0.00 H new ATOM 0 HA ALA A 43 9.533 -2.353 -9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.667 -3.115 -7.301 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.069 -3.487 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.279 -4.778 -7.802 1.00 0.00 H new ATOM 658 N PRO A 44 12.072 -3.229 -8.805 1.00 0.00 N ATOM 659 CA PRO A 44 13.492 -3.495 -8.961 1.00 0.00 C ATOM 660 C PRO A 44 13.834 -4.844 -8.304 1.00 0.00 C ATOM 661 O PRO A 44 13.320 -5.886 -8.706 1.00 0.00 O ATOM 662 CB PRO A 44 14.174 -2.267 -8.340 1.00 0.00 C ATOM 663 CG PRO A 44 13.225 -1.888 -7.201 1.00 0.00 C ATOM 664 CD PRO A 44 11.847 -2.223 -7.776 1.00 0.00 C ATOM 0 HA PRO A 44 13.833 -3.611 -9.990 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.173 -2.502 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.283 -1.457 -9.062 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.434 -2.457 -6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.308 -0.833 -6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.182 -2.602 -7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.374 -1.335 -8.196 1.00 0.00 H new ATOM 672 N GLY A 45 14.682 -4.859 -7.274 1.00 0.00 N ATOM 673 CA GLY A 45 15.228 -6.090 -6.724 1.00 0.00 C ATOM 674 C GLY A 45 14.335 -6.667 -5.631 1.00 0.00 C ATOM 675 O GLY A 45 14.806 -6.919 -4.525 1.00 0.00 O ATOM 0 H GLY A 45 15.006 -4.015 -6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.346 -6.823 -7.522 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.221 -5.898 -6.318 1.00 0.00 H new ATOM 679 N PHE A 46 13.047 -6.866 -5.929 1.00 0.00 N ATOM 680 CA PHE A 46 12.109 -7.504 -5.011 1.00 0.00 C ATOM 681 C PHE A 46 10.848 -7.859 -5.788 1.00 0.00 C ATOM 682 O PHE A 46 10.532 -9.030 -5.961 1.00 0.00 O ATOM 683 CB PHE A 46 11.821 -6.581 -3.806 1.00 0.00 C ATOM 684 CG PHE A 46 10.730 -6.983 -2.819 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.300 -8.319 -2.671 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.219 -5.998 -1.949 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.334 -8.647 -1.701 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.303 -6.343 -0.941 1.00 0.00 C ATOM 689 CZ PHE A 46 8.842 -7.663 -0.831 1.00 0.00 C ATOM 0 H PHE A 46 12.629 -6.587 -6.816 1.00 0.00 H new ATOM 0 HA PHE A 46 12.534 -8.420 -4.600 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.749 -6.470 -3.245 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.566 -5.596 -4.198 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.713 -9.091 -3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.534 -4.971 -2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.970 -9.661 -1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.953 -5.590 -0.250 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.111 -7.921 -0.079 1.00 0.00 H new ATOM 699 N THR A 47 10.141 -6.826 -6.251 1.00 0.00 N ATOM 700 CA THR A 47 8.819 -6.926 -6.847 1.00 0.00 C ATOM 701 C THR A 47 7.902 -7.891 -6.102 1.00 0.00 C ATOM 702 O THR A 47 7.183 -8.663 -6.731 1.00 0.00 O ATOM 703 CB THR A 47 8.866 -7.109 -8.375 1.00 0.00 C ATOM 704 OG1 THR A 47 7.574 -6.903 -8.912 1.00 0.00 O ATOM 705 CG2 THR A 47 9.407 -8.460 -8.832 1.00 0.00 C ATOM 0 H THR A 47 10.490 -5.868 -6.217 1.00 0.00 H new ATOM 0 HA THR A 47 8.338 -5.957 -6.713 1.00 0.00 H new ATOM 0 HB THR A 47 9.571 -6.366 -8.749 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.043 -6.363 -8.290 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.405 -8.503 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.426 -8.587 -8.466 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.777 -9.257 -8.436 1.00 0.00 H new ATOM 713 N TYR A 48 7.826 -7.739 -4.776 1.00 0.00 N ATOM 714 CA TYR A 48 6.821 -8.384 -3.958 1.00 0.00 C ATOM 715 C TYR A 48 6.857 -9.912 -4.123 1.00 0.00 C ATOM 716 O TYR A 48 7.855 -10.480 -4.561 1.00 0.00 O ATOM 717 CB TYR A 48 5.453 -7.696 -4.160 1.00 0.00 C ATOM 718 CG TYR A 48 5.258 -6.778 -5.352 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.749 -5.466 -5.316 1.00 0.00 C ATOM 720 CD2 TYR A 48 4.635 -7.254 -6.515 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.705 -4.660 -6.472 1.00 0.00 C ATOM 722 CE2 TYR A 48 4.486 -6.413 -7.627 1.00 0.00 C ATOM 723 CZ TYR A 48 5.081 -5.145 -7.639 1.00 0.00 C ATOM 724 OH TYR A 48 5.061 -4.449 -8.814 1.00 0.00 O ATOM 0 H TYR A 48 8.473 -7.156 -4.245 1.00 0.00 H new ATOM 0 HA TYR A 48 7.042 -8.248 -2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.697 -8.479 -4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.240 -7.117 -3.261 1.00 0.00 H new ATOM 0 HD1 TYR A 48 6.162 -5.071 -4.400 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.270 -8.270 -6.554 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.148 -3.675 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.910 -6.744 -8.478 1.00 0.00 H new ATOM 0 HH TYR A 48 5.961 -4.116 -9.012 1.00 0.00 H new ATOM 734 N THR A 49 5.796 -10.598 -3.708 1.00 0.00 N ATOM 735 CA THR A 49 5.610 -12.004 -4.051 1.00 0.00 C ATOM 736 C THR A 49 5.427 -12.147 -5.564 1.00 0.00 C ATOM 737 O THR A 49 4.985 -11.204 -6.209 1.00 0.00 O ATOM 738 CB THR A 49 4.403 -12.570 -3.289 1.00 0.00 C ATOM 739 OG1 THR A 49 3.207 -11.879 -3.632 1.00 0.00 O ATOM 740 CG2 THR A 49 4.677 -12.479 -1.784 1.00 0.00 C ATOM 0 H THR A 49 5.052 -10.203 -3.133 1.00 0.00 H new ATOM 0 HA THR A 49 6.493 -12.573 -3.759 1.00 0.00 H new ATOM 0 HB THR A 49 4.261 -13.614 -3.569 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.436 -12.357 -3.262 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.825 -12.879 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.569 -13.056 -1.541 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.832 -11.437 -1.505 1.00 0.00 H new ATOM 748 N ASP A 50 5.717 -13.323 -6.126 1.00 0.00 N ATOM 749 CA ASP A 50 5.372 -13.728 -7.487 1.00 0.00 C ATOM 750 C ASP A 50 3.869 -13.673 -7.693 1.00 0.00 C ATOM 751 O ASP A 50 3.441 -13.287 -8.768 1.00 0.00 O ATOM 752 CB ASP A 50 5.885 -15.152 -7.730 1.00 0.00 C ATOM 753 CG ASP A 50 5.201 -16.154 -6.806 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.082 -15.812 -5.605 1.00 0.00 O ATOM 755 OD2 ASP A 50 4.772 -17.205 -7.322 1.00 0.00 O ATOM 0 H ASP A 50 6.222 -14.051 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 50 5.838 -13.043 -8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.708 -15.432 -8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.963 -15.184 -7.571 1.00 0.00 H new ATOM 760 N ALA A 51 3.056 -14.015 -6.698 1.00 0.00 N ATOM 761 CA ALA A 51 1.610 -13.888 -6.835 1.00 0.00 C ATOM 762 C ALA A 51 1.225 -12.446 -7.142 1.00 0.00 C ATOM 763 O ALA A 51 0.530 -12.182 -8.123 1.00 0.00 O ATOM 764 CB ALA A 51 0.914 -14.409 -5.577 1.00 0.00 C ATOM 0 H ALA A 51 3.370 -14.378 -5.798 1.00 0.00 H new ATOM 0 HA ALA A 51 1.276 -14.497 -7.675 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.165 -14.309 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.168 -15.459 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.243 -13.831 -4.713 1.00 0.00 H new ATOM 770 N ASN A 52 1.699 -11.498 -6.334 1.00 0.00 N ATOM 771 CA ASN A 52 1.386 -10.100 -6.585 1.00 0.00 C ATOM 772 C ASN A 52 2.073 -9.612 -7.862 1.00 0.00 C ATOM 773 O ASN A 52 1.500 -8.853 -8.644 1.00 0.00 O ATOM 774 CB ASN A 52 1.706 -9.263 -5.345 1.00 0.00 C ATOM 775 CG ASN A 52 1.027 -7.898 -5.386 1.00 0.00 C ATOM 776 OD1 ASN A 52 0.066 -7.661 -4.666 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.464 -6.997 -6.263 1.00 0.00 N ATOM 0 H ASN A 52 2.288 -11.670 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 52 0.318 -9.984 -6.767 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.386 -9.800 -4.452 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.785 -9.129 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.997 -6.094 -6.342 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.266 -7.210 -6.856 1.00 0.00 H new ATOM 784 N LYS A 53 3.295 -10.078 -8.117 1.00 0.00 N ATOM 785 CA LYS A 53 4.034 -9.742 -9.322 1.00 0.00 C ATOM 786 C LYS A 53 3.334 -10.291 -10.554 1.00 0.00 C ATOM 787 O LYS A 53 3.384 -9.698 -11.628 1.00 0.00 O ATOM 788 CB LYS A 53 5.530 -10.079 -9.197 1.00 0.00 C ATOM 789 CG LYS A 53 6.270 -10.352 -10.513 1.00 0.00 C ATOM 790 CD LYS A 53 5.998 -11.790 -10.982 1.00 0.00 C ATOM 791 CE LYS A 53 5.673 -11.875 -12.478 1.00 0.00 C ATOM 792 NZ LYS A 53 6.884 -12.013 -13.311 1.00 0.00 N ATOM 0 H LYS A 53 3.798 -10.702 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 53 4.030 -8.660 -9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.027 -9.253 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.632 -10.955 -8.557 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.945 -9.645 -11.276 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.341 -10.202 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.870 -12.408 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.167 -12.203 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.014 -12.725 -12.656 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.128 -10.981 -12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.612 -12.066 -14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.502 -11.190 -13.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.392 -12.880 -13.044 1.00 0.00 H new ATOM 806 N ASN A 54 2.638 -11.410 -10.409 1.00 0.00 N ATOM 807 CA ASN A 54 1.950 -12.025 -11.516 1.00 0.00 C ATOM 808 C ASN A 54 0.671 -11.235 -11.841 1.00 0.00 C ATOM 809 O ASN A 54 -0.077 -11.611 -12.741 1.00 0.00 O ATOM 810 CB ASN A 54 1.648 -13.497 -11.205 1.00 0.00 C ATOM 811 CG ASN A 54 1.104 -14.237 -12.423 1.00 0.00 C ATOM 812 OD1 ASN A 54 1.608 -14.072 -13.529 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.098 -15.084 -12.231 1.00 0.00 N ATOM 0 H ASN A 54 2.540 -11.908 -9.524 1.00 0.00 H new ATOM 0 HA ASN A 54 2.590 -12.003 -12.398 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.557 -13.988 -10.858 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.924 -13.555 -10.392 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.276 -15.618 -13.015 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.300 -15.200 -11.299 1.00 0.00 H new ATOM 820 N LYS A 55 0.354 -10.175 -11.078 1.00 0.00 N ATOM 821 CA LYS A 55 -0.991 -9.611 -11.119 1.00 0.00 C ATOM 822 C LYS A 55 -1.197 -8.658 -12.298 1.00 0.00 C ATOM 823 O LYS A 55 -2.221 -8.760 -12.972 1.00 0.00 O ATOM 824 CB LYS A 55 -1.373 -8.959 -9.787 1.00 0.00 C ATOM 825 CG LYS A 55 -2.863 -8.578 -9.734 1.00 0.00 C ATOM 826 CD LYS A 55 -3.837 -9.771 -9.665 1.00 0.00 C ATOM 827 CE LYS A 55 -4.810 -9.879 -10.855 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.182 -10.381 -12.097 1.00 0.00 N ATOM 0 H LYS A 55 0.999 -9.706 -10.442 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.671 -10.448 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.145 -9.644 -8.970 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.766 -8.067 -9.633 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.029 -7.941 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.102 -7.983 -10.615 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.258 -10.692 -9.603 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.417 -9.696 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.632 -10.541 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.242 -8.897 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.887 -10.395 -12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.394 -9.757 -12.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.823 -11.344 -11.940 1.00 0.00 H new ATOM 842 N GLY A 56 -0.288 -7.704 -12.511 1.00 0.00 N ATOM 843 CA GLY A 56 -0.400 -6.747 -13.607 1.00 0.00 C ATOM 844 C GLY A 56 -1.595 -5.793 -13.464 1.00 0.00 C ATOM 845 O GLY A 56 -2.305 -5.530 -14.431 1.00 0.00 O ATOM 0 H GLY A 56 0.541 -7.576 -11.931 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.518 -6.162 -13.664 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.490 -7.291 -14.547 1.00 0.00 H new ATOM 849 N ILE A 57 -1.801 -5.253 -12.259 1.00 0.00 N ATOM 850 CA ILE A 57 -2.678 -4.117 -11.992 1.00 0.00 C ATOM 851 C ILE A 57 -1.868 -2.815 -12.050 1.00 0.00 C ATOM 852 O ILE A 57 -0.736 -2.801 -12.527 1.00 0.00 O ATOM 853 CB ILE A 57 -3.457 -4.312 -10.669 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.635 -4.818 -9.466 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.650 -5.240 -10.938 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.697 -3.873 -8.267 1.00 0.00 C ATOM 0 H ILE A 57 -1.346 -5.608 -11.418 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.442 -4.049 -12.767 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.777 -3.317 -10.360 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.002 -5.800 -9.168 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.596 -4.945 -9.769 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.211 -5.389 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.299 -4.790 -11.689 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.288 -6.202 -11.301 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.100 -4.281 -7.451 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.303 -2.897 -8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.732 -3.766 -7.941 1.00 0.00 H new ATOM 868 N THR A 58 -2.477 -1.702 -11.633 1.00 0.00 N ATOM 869 CA THR A 58 -1.960 -0.347 -11.764 1.00 0.00 C ATOM 870 C THR A 58 -1.961 0.361 -10.403 1.00 0.00 C ATOM 871 O THR A 58 -1.930 1.590 -10.346 1.00 0.00 O ATOM 872 CB THR A 58 -2.888 0.377 -12.754 1.00 0.00 C ATOM 873 OG1 THR A 58 -3.519 -0.557 -13.626 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.117 1.437 -13.532 1.00 0.00 C ATOM 0 H THR A 58 -3.387 -1.728 -11.174 1.00 0.00 H new ATOM 0 HA THR A 58 -0.930 -0.349 -12.122 1.00 0.00 H new ATOM 0 HB THR A 58 -3.672 0.884 -12.191 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.965 -0.075 -14.354 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.790 1.939 -14.228 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.702 2.168 -12.838 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.308 0.964 -14.088 1.00 0.00 H new ATOM 882 N TRP A 59 -2.078 -0.437 -9.335 1.00 0.00 N ATOM 883 CA TRP A 59 -2.441 -0.034 -7.984 1.00 0.00 C ATOM 884 C TRP A 59 -3.286 1.238 -7.945 1.00 0.00 C ATOM 885 O TRP A 59 -2.852 2.265 -7.435 1.00 0.00 O ATOM 886 CB TRP A 59 -1.186 0.074 -7.122 1.00 0.00 C ATOM 887 CG TRP A 59 -0.615 -1.225 -6.661 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.626 -1.690 -6.916 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.248 -2.212 -5.797 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.782 -2.924 -6.320 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.346 -3.297 -5.616 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.499 -2.295 -5.146 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.674 -4.412 -4.832 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.810 -3.381 -4.311 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.903 -4.441 -4.156 1.00 0.00 C ATOM 0 H TRP A 59 -1.910 -1.441 -9.402 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.083 -0.810 -7.566 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.422 0.608 -7.687 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.417 0.681 -6.247 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.379 -1.176 -7.496 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.627 -3.491 -6.391 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.228 -1.511 -5.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.013 -5.241 -4.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.753 -3.400 -3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.151 -5.277 -3.518 1.00 0.00 H new ATOM 906 N LYS A 60 -4.511 1.163 -8.468 1.00 0.00 N ATOM 907 CA LYS A 60 -5.413 2.301 -8.454 1.00 0.00 C ATOM 908 C LYS A 60 -6.271 2.262 -7.188 1.00 0.00 C ATOM 909 O LYS A 60 -6.318 1.244 -6.484 1.00 0.00 O ATOM 910 CB LYS A 60 -6.268 2.337 -9.730 1.00 0.00 C ATOM 911 CG LYS A 60 -7.121 1.085 -9.974 1.00 0.00 C ATOM 912 CD LYS A 60 -6.449 0.020 -10.857 1.00 0.00 C ATOM 913 CE LYS A 60 -6.869 0.205 -12.324 1.00 0.00 C ATOM 914 NZ LYS A 60 -6.251 -0.792 -13.227 1.00 0.00 N ATOM 0 H LYS A 60 -4.895 0.325 -8.904 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.831 3.223 -8.439 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.927 3.204 -9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.610 2.483 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.370 0.637 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.060 1.385 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.365 0.095 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.728 -0.976 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.954 0.133 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.593 1.207 -12.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.541 -0.600 -14.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.215 -0.731 -13.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.561 -1.746 -12.955 1.00 0.00 H new ATOM 928 N GLU A 61 -7.026 3.337 -6.965 1.00 0.00 N ATOM 929 CA GLU A 61 -7.928 3.578 -5.830 1.00 0.00 C ATOM 930 C GLU A 61 -9.182 2.686 -5.821 1.00 0.00 C ATOM 931 O GLU A 61 -10.201 3.044 -5.235 1.00 0.00 O ATOM 932 CB GLU A 61 -8.294 5.079 -5.751 1.00 0.00 C ATOM 933 CG GLU A 61 -8.711 5.694 -7.099 1.00 0.00 C ATOM 934 CD GLU A 61 -7.551 6.361 -7.829 1.00 0.00 C ATOM 935 OE1 GLU A 61 -6.700 5.606 -8.347 1.00 0.00 O ATOM 936 OE2 GLU A 61 -7.525 7.610 -7.819 1.00 0.00 O ATOM 0 H GLU A 61 -7.026 4.121 -7.617 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.379 3.294 -4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.108 5.207 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.439 5.631 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.133 4.915 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.498 6.429 -6.930 1.00 0.00 H new ATOM 943 N GLU A 62 -9.080 1.497 -6.409 1.00 0.00 N ATOM 944 CA GLU A 62 -10.086 0.454 -6.412 1.00 0.00 C ATOM 945 C GLU A 62 -9.405 -0.782 -5.819 1.00 0.00 C ATOM 946 O GLU A 62 -9.767 -1.303 -4.765 1.00 0.00 O ATOM 947 CB GLU A 62 -10.555 0.189 -7.859 1.00 0.00 C ATOM 948 CG GLU A 62 -10.690 1.449 -8.729 1.00 0.00 C ATOM 949 CD GLU A 62 -11.037 1.068 -10.165 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.175 0.419 -10.799 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.154 1.420 -10.601 1.00 0.00 O ATOM 0 H GLU A 62 -8.242 1.226 -6.924 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.968 0.728 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.851 -0.492 -8.336 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.519 -0.320 -7.827 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.464 2.099 -8.321 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.758 2.013 -8.711 1.00 0.00 H new ATOM 958 N THR A 63 -8.335 -1.188 -6.501 1.00 0.00 N ATOM 959 CA THR A 63 -7.490 -2.309 -6.176 1.00 0.00 C ATOM 960 C THR A 63 -6.885 -2.128 -4.787 1.00 0.00 C ATOM 961 O THR A 63 -6.861 -3.062 -3.991 1.00 0.00 O ATOM 962 CB THR A 63 -6.431 -2.421 -7.284 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.974 -1.151 -7.734 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.049 -3.093 -8.513 1.00 0.00 C ATOM 0 H THR A 63 -8.026 -0.705 -7.345 1.00 0.00 H new ATOM 0 HA THR A 63 -8.055 -3.241 -6.135 1.00 0.00 H new ATOM 0 HB THR A 63 -5.603 -2.986 -6.857 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.095 -0.489 -7.022 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.299 -3.173 -9.300 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.401 -4.089 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.888 -2.496 -8.871 1.00 0.00 H new ATOM 972 N LEU A 64 -6.428 -0.910 -4.480 1.00 0.00 N ATOM 973 CA LEU A 64 -5.945 -0.581 -3.154 1.00 0.00 C ATOM 974 C LEU A 64 -7.027 -0.809 -2.107 1.00 0.00 C ATOM 975 O LEU A 64 -6.740 -1.354 -1.047 1.00 0.00 O ATOM 976 CB LEU A 64 -5.502 0.886 -3.127 1.00 0.00 C ATOM 977 CG LEU A 64 -3.977 1.039 -3.018 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.447 1.797 -4.228 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.616 1.794 -1.739 1.00 0.00 C ATOM 0 H LEU A 64 -6.386 -0.137 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.101 -1.230 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.850 1.384 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.975 1.390 -2.284 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.524 0.048 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.365 1.903 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.690 1.247 -5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.906 2.785 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.533 1.897 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.074 2.783 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.983 1.241 -0.874 1.00 0.00 H new ATOM 991 N MET A 65 -8.258 -0.370 -2.375 1.00 0.00 N ATOM 992 CA MET A 65 -9.331 -0.486 -1.413 1.00 0.00 C ATOM 993 C MET A 65 -9.562 -1.963 -1.098 1.00 0.00 C ATOM 994 O MET A 65 -9.572 -2.355 0.070 1.00 0.00 O ATOM 995 CB MET A 65 -10.583 0.213 -1.960 1.00 0.00 C ATOM 996 CG MET A 65 -11.567 0.517 -0.827 1.00 0.00 C ATOM 997 SD MET A 65 -13.249 -0.136 -0.987 1.00 0.00 S ATOM 998 CE MET A 65 -12.916 -1.911 -1.010 1.00 0.00 C ATOM 0 H MET A 65 -8.527 0.069 -3.256 1.00 0.00 H new ATOM 0 HA MET A 65 -9.073 0.009 -0.477 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.300 1.138 -2.462 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.063 -0.420 -2.706 1.00 0.00 H new ATOM 0 HG2 MET A 65 -11.143 0.132 0.100 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.635 1.600 -0.721 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.857 -2.458 -0.961 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.392 -2.171 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.297 -2.176 -0.153 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.727 -2.775 -2.146 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.002 -4.197 -1.984 1.00 0.00 C ATOM 1010 C GLU A 66 -8.866 -4.881 -1.212 1.00 0.00 C ATOM 1011 O GLU A 66 -9.100 -5.601 -0.241 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.264 -4.819 -3.364 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.879 -6.220 -3.254 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.400 -6.710 -4.600 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.655 -6.550 -5.590 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.535 -7.231 -4.612 1.00 0.00 O ATOM 0 H GLU A 66 -9.674 -2.466 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.900 -4.345 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.933 -4.173 -3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.328 -4.876 -3.920 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.132 -6.918 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.695 -6.204 -2.531 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.622 -4.619 -1.617 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.429 -5.136 -0.964 1.00 0.00 C ATOM 1025 C TYR A 67 -6.406 -4.787 0.519 1.00 0.00 C ATOM 1026 O TYR A 67 -6.358 -5.677 1.356 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.208 -4.575 -1.688 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.875 -5.119 -1.224 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.625 -6.503 -1.228 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.840 -4.233 -0.892 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.349 -7.000 -0.929 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.588 -4.736 -0.519 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.330 -6.115 -0.553 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.113 -6.600 -0.198 1.00 0.00 O ATOM 0 H TYR A 67 -7.417 -4.030 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.423 -6.224 -1.021 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.313 -4.777 -2.754 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.201 -3.492 -1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.424 -7.190 -1.464 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.008 -3.167 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.152 -8.060 -0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.812 -4.055 -0.202 1.00 0.00 H new ATOM 0 HH TYR A 67 0.170 -6.188 0.645 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.427 -3.501 0.861 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.359 -3.085 2.256 1.00 0.00 C ATOM 1046 C LEU A 68 -7.521 -3.641 3.077 1.00 0.00 C ATOM 1047 O LEU A 68 -7.335 -3.948 4.254 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.255 -1.556 2.394 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.816 -1.006 2.374 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.957 -1.616 3.486 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.115 -1.216 1.031 1.00 0.00 C ATOM 0 H LEU A 68 -6.490 -2.733 0.193 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.443 -3.511 2.665 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.818 -1.092 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.732 -1.255 3.327 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.918 0.066 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.950 -1.202 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.398 -1.384 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.911 -2.698 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.106 -0.808 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.065 -2.282 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.674 -0.708 0.245 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.711 -3.778 2.482 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.819 -4.440 3.157 1.00 0.00 C ATOM 1065 C GLU A 69 -9.462 -5.900 3.460 1.00 0.00 C ATOM 1066 O GLU A 69 -9.675 -6.370 4.576 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.104 -4.297 2.321 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.394 -4.367 3.160 1.00 0.00 C ATOM 1069 CD GLU A 69 -12.845 -5.785 3.494 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.883 -6.612 2.558 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.186 -6.001 4.676 1.00 0.00 O ATOM 0 H GLU A 69 -8.925 -3.441 1.543 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.008 -3.959 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.078 -3.346 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.127 -5.084 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.240 -3.818 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.194 -3.861 2.619 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.920 -6.626 2.475 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.803 -8.077 2.558 1.00 0.00 C ATOM 1080 C ASN A 70 -7.623 -8.598 1.734 1.00 0.00 C ATOM 1081 O ASN A 70 -7.822 -9.237 0.702 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.117 -8.666 2.046 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.407 -10.047 2.611 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.517 -10.754 3.082 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.677 -10.442 2.574 1.00 0.00 N ATOM 0 H ASN A 70 -8.556 -6.226 1.610 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.616 -8.376 3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.935 -7.994 2.305 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.084 -8.724 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.938 -11.356 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.390 -9.830 2.176 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.378 -8.374 2.165 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.219 -8.503 1.294 1.00 0.00 C ATOM 1094 C PRO A 71 -5.037 -9.946 0.832 1.00 0.00 C ATOM 1095 O PRO A 71 -4.848 -10.224 -0.351 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.038 -7.958 2.104 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.497 -8.073 3.559 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.012 -7.886 3.480 1.00 0.00 C ATOM 0 HA PRO A 71 -5.324 -7.939 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.132 -8.536 1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.815 -6.925 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.235 -9.041 3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.032 -7.312 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.521 -8.445 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.288 -6.839 3.604 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.165 -10.866 1.787 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.129 -12.298 1.567 1.00 0.00 C ATOM 1108 C LYS A 72 -6.200 -12.781 0.579 1.00 0.00 C ATOM 1109 O LYS A 72 -6.037 -13.845 -0.012 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.258 -12.982 2.936 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.634 -12.764 3.593 1.00 0.00 C ATOM 1112 CD LYS A 72 -6.486 -12.460 5.090 1.00 0.00 C ATOM 1113 CE LYS A 72 -7.846 -12.391 5.799 1.00 0.00 C ATOM 1114 NZ LYS A 72 -8.420 -13.732 6.042 1.00 0.00 N ATOM 0 H LYS A 72 -5.301 -10.619 2.767 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.182 -12.566 1.098 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.083 -14.052 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.481 -12.603 3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -7.150 -11.940 3.100 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.251 -13.653 3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.872 -13.230 5.557 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.962 -11.513 5.218 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.732 -11.869 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.539 -11.805 5.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.337 -13.635 6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.554 -14.222 5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.772 -14.284 6.640 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.308 -12.046 0.426 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.378 -12.421 -0.487 1.00 0.00 C ATOM 1130 C LYS A 73 -8.103 -11.814 -1.858 1.00 0.00 C ATOM 1131 O LYS A 73 -8.174 -12.528 -2.855 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.732 -11.981 0.078 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.942 -12.592 -0.645 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.160 -14.054 -0.229 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.434 -14.612 -0.876 1.00 0.00 C ATOM 1136 NZ LYS A 73 -12.687 -16.015 -0.485 1.00 0.00 N ATOM 0 H LYS A 73 -7.481 -11.178 0.933 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.414 -13.505 -0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.778 -12.251 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.800 -10.895 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.836 -12.010 -0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.790 -12.537 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.301 -14.655 -0.526 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.236 -14.122 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.286 -13.996 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.347 -14.548 -1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.557 -16.352 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.886 -16.608 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.796 -16.073 0.548 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.791 -10.513 -1.908 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.386 -9.842 -3.135 1.00 0.00 C ATOM 1152 C TYR A 74 -6.320 -10.658 -3.878 1.00 0.00 C ATOM 1153 O TYR A 74 -6.509 -10.988 -5.047 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.889 -8.434 -2.788 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.466 -7.595 -3.979 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.439 -7.127 -4.878 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.110 -7.297 -4.208 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.059 -6.390 -6.012 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.735 -6.508 -5.309 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.707 -6.092 -6.229 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.316 -5.491 -7.386 1.00 0.00 O ATOM 0 H TYR A 74 -7.815 -9.900 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.239 -9.757 -3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.679 -7.907 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.044 -8.521 -2.105 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.483 -7.335 -4.697 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.355 -7.676 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.807 -6.054 -6.715 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.702 -6.223 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.809 -6.128 -7.930 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.203 -10.978 -3.211 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.118 -11.774 -3.785 1.00 0.00 C ATOM 1173 C ILE A 75 -3.705 -12.859 -2.777 1.00 0.00 C ATOM 1174 O ILE A 75 -2.878 -12.602 -1.897 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.962 -10.858 -4.244 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.425 -10.066 -5.485 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.705 -11.659 -4.624 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.518 -8.890 -5.835 1.00 0.00 C ATOM 0 H ILE A 75 -5.029 -10.687 -2.249 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.448 -12.291 -4.686 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.708 -10.198 -3.415 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.475 -10.742 -6.339 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.435 -9.695 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.919 -10.974 -4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.363 -12.230 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.941 -12.342 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.906 -8.381 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.487 -8.193 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.512 -9.255 -6.040 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.257 -14.084 -2.891 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.922 -15.190 -2.009 1.00 0.00 C ATOM 1192 C PRO A 76 -2.505 -15.658 -2.330 1.00 0.00 C ATOM 1193 O PRO A 76 -2.292 -16.510 -3.189 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.979 -16.265 -2.272 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.355 -16.033 -3.733 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.218 -14.519 -3.898 1.00 0.00 C ATOM 0 HA PRO A 76 -3.930 -14.925 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.582 -17.268 -2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.839 -16.154 -1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.692 -16.573 -4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.370 -16.370 -3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.872 -14.267 -4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.179 -14.024 -3.758 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.532 -15.058 -1.653 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.128 -15.235 -1.968 1.00 0.00 C ATOM 1206 C GLY A 77 0.718 -14.114 -1.378 1.00 0.00 C ATOM 1207 O GLY A 77 1.890 -14.342 -1.093 1.00 0.00 O ATOM 0 H GLY A 77 -1.701 -14.432 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.215 -16.195 -1.581 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.004 -15.262 -3.050 1.00 0.00 H new ATOM 1211 N THR A 78 0.145 -12.916 -1.190 1.00 0.00 N ATOM 1212 CA THR A 78 0.870 -11.808 -0.598 1.00 0.00 C ATOM 1213 C THR A 78 1.546 -12.206 0.715 1.00 0.00 C ATOM 1214 O THR A 78 1.006 -12.973 1.511 1.00 0.00 O ATOM 1215 CB THR A 78 -0.038 -10.584 -0.403 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.758 -9.523 0.074 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.184 -10.820 0.586 1.00 0.00 C ATOM 0 H THR A 78 -0.819 -12.701 -1.443 1.00 0.00 H new ATOM 0 HA THR A 78 1.658 -11.532 -1.299 1.00 0.00 H new ATOM 0 HB THR A 78 -0.496 -10.361 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.303 -8.672 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.782 -9.913 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.812 -11.636 0.228 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.774 -11.079 1.562 1.00 0.00 H new ATOM 1225 N LYS A 79 2.732 -11.638 0.932 1.00 0.00 N ATOM 1226 CA LYS A 79 3.455 -11.715 2.193 1.00 0.00 C ATOM 1227 C LYS A 79 2.997 -10.609 3.150 1.00 0.00 C ATOM 1228 O LYS A 79 3.520 -10.514 4.259 1.00 0.00 O ATOM 1229 CB LYS A 79 4.972 -11.658 1.922 1.00 0.00 C ATOM 1230 CG LYS A 79 5.685 -12.933 2.384 1.00 0.00 C ATOM 1231 CD LYS A 79 7.098 -12.982 1.785 1.00 0.00 C ATOM 1232 CE LYS A 79 7.914 -14.121 2.411 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.186 -14.350 1.694 1.00 0.00 N ATOM 0 H LYS A 79 3.224 -11.101 0.218 1.00 0.00 H new ATOM 0 HA LYS A 79 3.235 -12.664 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.145 -11.512 0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.400 -10.797 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.740 -12.956 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.118 -13.811 2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.036 -13.123 0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.603 -12.031 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.123 -13.886 3.455 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.323 -15.037 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.706 -15.127 2.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.987 -14.600 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.762 -13.484 1.723 1.00 0.00 H new ATOM 1247 N MET A 80 2.049 -9.760 2.737 1.00 0.00 N ATOM 1248 CA MET A 80 1.507 -8.735 3.608 1.00 0.00 C ATOM 1249 C MET A 80 0.661 -9.371 4.711 1.00 0.00 C ATOM 1250 O MET A 80 -0.015 -10.376 4.500 1.00 0.00 O ATOM 1251 CB MET A 80 0.702 -7.760 2.757 1.00 0.00 C ATOM 1252 CG MET A 80 0.103 -6.579 3.522 1.00 0.00 C ATOM 1253 SD MET A 80 0.102 -5.060 2.548 1.00 0.00 S ATOM 1254 CE MET A 80 -1.556 -4.387 2.816 1.00 0.00 C ATOM 0 H MET A 80 1.646 -9.771 1.800 1.00 0.00 H new ATOM 0 HA MET A 80 2.309 -8.188 4.104 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.346 -7.373 1.967 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.106 -8.307 2.271 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.919 -6.820 3.816 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.669 -6.419 4.440 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.664 -3.454 2.263 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.300 -5.103 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.704 -4.198 3.879 1.00 0.00 H new ATOM 1264 N ILE A 81 0.714 -8.766 5.897 1.00 0.00 N ATOM 1265 CA ILE A 81 0.057 -9.227 7.107 1.00 0.00 C ATOM 1266 C ILE A 81 -0.819 -8.068 7.564 1.00 0.00 C ATOM 1267 O ILE A 81 -0.346 -7.159 8.243 1.00 0.00 O ATOM 1268 CB ILE A 81 1.120 -9.610 8.152 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.095 -10.694 7.651 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.477 -10.031 9.481 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.461 -12.077 7.466 1.00 0.00 C ATOM 0 H ILE A 81 1.240 -7.904 6.041 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.552 -10.117 6.951 1.00 0.00 H new ATOM 0 HB ILE A 81 1.710 -8.709 8.323 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.520 -10.372 6.700 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.921 -10.778 8.357 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.257 -10.295 10.195 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.114 -9.205 9.877 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.170 -10.893 9.315 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.216 -12.779 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.061 -12.424 8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.654 -12.013 6.736 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.084 -8.058 7.138 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.005 -6.985 7.469 1.00 0.00 C ATOM 1285 C PHE A 82 -4.446 -7.480 7.363 1.00 0.00 C ATOM 1286 O PHE A 82 -4.695 -8.511 6.737 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.736 -5.775 6.564 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.963 -4.465 7.273 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.007 -4.021 8.205 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.163 -3.756 7.096 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.248 -2.866 8.964 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.407 -2.605 7.859 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.455 -2.168 8.802 1.00 0.00 C ATOM 0 H PHE A 82 -2.490 -8.792 6.558 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.849 -6.666 8.500 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.708 -5.816 6.203 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.384 -5.828 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.086 -4.570 8.336 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.893 -4.096 6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.509 -2.516 9.669 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.325 -2.053 7.724 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.655 -1.293 9.402 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.379 -6.765 8.001 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.776 -7.173 8.110 1.00 0.00 C ATOM 1305 C ALA A 83 -7.674 -6.009 8.534 1.00 0.00 C ATOM 1306 O ALA A 83 -8.730 -5.798 7.948 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.893 -8.314 9.125 1.00 0.00 C ATOM 0 H ALA A 83 -5.179 -5.877 8.460 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.110 -7.508 7.128 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.936 -8.621 9.209 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.291 -9.160 8.793 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.536 -7.974 10.097 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.280 -5.272 9.577 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.071 -4.186 10.135 1.00 0.00 C ATOM 1315 C GLY A 84 -7.141 -3.121 10.701 1.00 0.00 C ATOM 1316 O GLY A 84 -5.935 -3.343 10.795 1.00 0.00 O ATOM 0 H GLY A 84 -6.393 -5.419 10.058 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.710 -3.754 9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.727 -4.565 10.918 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.698 -1.956 11.042 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.917 -0.757 11.318 1.00 0.00 C ATOM 1322 C ILE A 85 -7.717 0.245 12.157 1.00 0.00 C ATOM 1323 O ILE A 85 -7.211 0.740 13.166 1.00 0.00 O ATOM 1324 CB ILE A 85 -6.406 -0.171 9.989 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -5.469 1.022 10.218 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -7.528 0.174 9.015 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -5.017 1.689 8.919 1.00 0.00 C ATOM 0 H ILE A 85 -8.705 -1.822 11.133 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.047 -1.011 11.923 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.826 -0.962 9.514 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.975 1.759 10.841 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.592 0.686 10.771 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.102 0.582 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.096 -0.726 8.781 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.189 0.913 9.468 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.357 2.525 9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.483 0.964 8.304 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.888 2.054 8.375 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.953 0.550 11.741 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.877 1.424 12.423 1.00 0.00 C ATOM 1341 C LYS A 86 -11.308 1.016 12.027 1.00 0.00 C ATOM 1342 O LYS A 86 -11.745 -0.067 12.408 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.500 2.885 12.121 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.246 3.805 13.073 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.777 5.255 12.915 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.438 6.132 13.987 1.00 0.00 C ATOM 1347 NZ LYS A 86 -10.044 7.549 13.859 1.00 0.00 N ATOM 0 H LYS A 86 -9.340 0.169 10.878 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.825 1.332 13.508 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.425 3.025 12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.750 3.131 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.317 3.742 12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.087 3.477 14.100 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.692 5.308 13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.032 5.624 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.522 6.048 13.907 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.162 5.766 14.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.512 8.108 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.012 7.633 13.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.330 7.906 12.925 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.041 1.847 11.272 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.432 1.595 10.921 1.00 0.00 C ATOM 1363 C LYS A 87 -13.904 2.552 9.817 1.00 0.00 C ATOM 1364 O LYS A 87 -14.318 3.670 10.113 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.292 1.811 12.173 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.742 1.343 11.955 1.00 0.00 C ATOM 1367 CD LYS A 87 -15.892 -0.166 12.228 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.789 -0.848 11.183 1.00 0.00 C ATOM 1369 NZ LYS A 87 -17.200 -2.207 11.600 1.00 0.00 N ATOM 0 H LYS A 87 -11.675 2.718 10.888 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.527 0.574 10.553 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.857 1.268 13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.287 2.868 12.440 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.409 1.901 12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.047 1.561 10.931 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.908 -0.636 12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -16.313 -0.316 13.222 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.676 -0.238 11.015 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.257 -0.907 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -17.803 -2.628 10.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.356 -2.799 11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.730 -2.151 12.493 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.885 2.115 8.557 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.371 2.828 7.380 1.00 0.00 C ATOM 1385 C LYS A 88 -13.527 4.063 7.060 1.00 0.00 C ATOM 1386 O LYS A 88 -12.949 4.118 5.980 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.873 3.139 7.462 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.389 3.662 6.111 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.894 3.950 6.165 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.366 4.499 4.810 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.819 4.775 4.789 1.00 0.00 N ATOM 0 H LYS A 88 -13.507 1.198 8.319 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.250 2.151 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.422 2.240 7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.055 3.881 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.852 4.571 5.841 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.185 2.928 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.440 3.039 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.108 4.670 6.954 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.821 5.415 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.124 3.782 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.089 5.143 3.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -20.342 3.896 4.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.049 5.480 5.518 1.00 0.00 H new ATOM 1405 N THR A 89 -13.461 5.042 7.971 1.00 0.00 N ATOM 1406 CA THR A 89 -12.626 6.228 7.860 1.00 0.00 C ATOM 1407 C THR A 89 -11.265 5.848 7.289 1.00 0.00 C ATOM 1408 O THR A 89 -10.892 6.348 6.234 1.00 0.00 O ATOM 1409 CB THR A 89 -12.497 6.884 9.242 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.786 7.103 9.774 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.732 8.210 9.182 1.00 0.00 C ATOM 0 H THR A 89 -14.008 5.022 8.831 1.00 0.00 H new ATOM 0 HA THR A 89 -13.081 6.948 7.180 1.00 0.00 H new ATOM 0 HB THR A 89 -11.930 6.208 9.882 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.709 7.520 10.657 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.666 8.637 10.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.728 8.034 8.795 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.257 8.904 8.525 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.579 4.914 7.958 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.364 4.267 7.476 1.00 0.00 C ATOM 1421 C GLU A 90 -9.316 4.043 5.966 1.00 0.00 C ATOM 1422 O GLU A 90 -8.390 4.484 5.291 1.00 0.00 O ATOM 1423 CB GLU A 90 -9.172 2.934 8.203 1.00 0.00 C ATOM 1424 CG GLU A 90 -10.411 2.094 8.604 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.784 0.915 7.720 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.929 0.392 6.981 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.950 0.479 7.829 1.00 0.00 O ATOM 0 H GLU A 90 -10.867 4.581 8.878 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.550 4.958 7.696 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.543 2.306 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.608 3.137 9.113 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.248 1.717 9.614 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.270 2.764 8.649 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.317 3.337 5.456 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.399 2.886 4.073 1.00 0.00 C ATOM 1436 C ARG A 91 -10.470 4.052 3.082 1.00 0.00 C ATOM 1437 O ARG A 91 -10.266 3.840 1.891 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.591 1.928 3.956 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.573 1.034 2.705 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.514 -0.183 2.815 1.00 0.00 C ATOM 1441 NE ARG A 91 -11.969 -1.217 3.716 1.00 0.00 N ATOM 1442 CZ ARG A 91 -12.012 -1.157 5.054 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -13.000 -0.495 5.659 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -11.024 -1.677 5.781 1.00 0.00 N ATOM 0 H ARG A 91 -11.122 3.053 6.014 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.486 2.355 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.617 1.292 4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.511 2.512 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.858 1.629 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.556 0.684 2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.488 0.142 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.673 -0.610 1.825 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.529 -2.033 3.291 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.721 -0.035 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.034 -0.449 6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.231 -2.123 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.060 -1.629 6.799 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.739 5.270 3.564 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.719 6.493 2.786 1.00 0.00 C ATOM 1460 C GLU A 92 -9.504 7.358 3.176 1.00 0.00 C ATOM 1461 O GLU A 92 -9.000 8.118 2.360 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.054 7.207 3.038 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.373 8.245 1.951 1.00 0.00 C ATOM 1464 CD GLU A 92 -12.923 7.590 0.691 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.019 7.002 0.808 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -12.247 7.717 -0.351 1.00 0.00 O ATOM 0 H GLU A 92 -10.984 5.427 4.542 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.612 6.289 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.856 6.470 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.023 7.700 4.010 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.098 8.962 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.470 8.805 1.706 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.061 7.299 4.435 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.942 8.057 4.999 1.00 0.00 C ATOM 1475 C ASP A 93 -6.636 7.614 4.353 1.00 0.00 C ATOM 1476 O ASP A 93 -5.936 8.392 3.711 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.887 7.833 6.533 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.106 9.065 7.403 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.187 10.181 6.847 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.215 8.861 8.631 1.00 0.00 O ATOM 0 H ASP A 93 -9.498 6.688 5.125 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.086 9.119 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.639 7.089 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.915 7.407 6.782 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.314 6.334 4.506 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.153 5.701 3.899 1.00 0.00 C ATOM 1487 C LEU A 94 -5.144 5.999 2.402 1.00 0.00 C ATOM 1488 O LEU A 94 -4.146 6.441 1.832 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.263 4.190 4.143 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.918 3.724 5.571 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.506 3.154 5.560 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.999 4.780 6.682 1.00 0.00 C ATOM 0 H LEU A 94 -6.870 5.692 5.071 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.228 6.081 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.281 3.875 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.604 3.677 3.443 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.689 2.994 5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.242 2.818 6.563 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.459 2.311 4.871 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.805 3.925 5.239 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.733 4.325 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.307 5.593 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.014 5.173 6.738 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.304 5.796 1.778 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.481 5.899 0.343 1.00 0.00 C ATOM 1506 C ILE A 95 -6.638 7.373 -0.064 1.00 0.00 C ATOM 1507 O ILE A 95 -6.819 7.667 -1.245 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.658 4.988 -0.079 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.577 3.589 0.572 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.766 4.828 -1.606 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.247 2.867 0.351 1.00 0.00 C ATOM 0 H ILE A 95 -7.161 5.550 2.273 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.601 5.544 -0.194 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.554 5.495 0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.748 3.690 1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.383 2.970 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.609 4.179 -1.845 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.919 5.805 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.847 4.386 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.276 1.894 0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.080 2.731 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.436 3.461 0.772 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.513 8.317 0.882 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.438 9.731 0.579 1.00 0.00 C ATOM 1525 C ALA A 96 -4.965 10.099 0.628 1.00 0.00 C ATOM 1526 O ALA A 96 -4.425 10.570 -0.369 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.281 10.539 1.566 1.00 0.00 C ATOM 0 H ALA A 96 -6.462 8.107 1.879 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.845 9.959 -0.406 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.211 11.599 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.321 10.220 1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.912 10.375 2.579 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.300 9.829 1.759 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.871 10.061 1.894 1.00 0.00 C ATOM 1535 C TYR A 97 -2.109 9.499 0.710 1.00 0.00 C ATOM 1536 O TYR A 97 -1.407 10.244 0.040 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.293 9.463 3.179 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.766 9.451 3.225 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.008 10.496 2.651 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.093 8.356 3.797 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.393 10.524 2.794 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.308 8.356 3.874 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.052 9.445 3.405 1.00 0.00 C ATOM 1544 OH TYR A 97 3.409 9.409 3.512 1.00 0.00 O ATOM 0 H TYR A 97 -4.741 9.447 2.596 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.750 11.144 1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.668 10.029 4.032 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.658 8.442 3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.506 11.279 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.655 7.515 4.177 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.958 11.372 2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.819 7.505 4.300 1.00 0.00 H new ATOM 0 HH TYR A 97 3.680 8.583 3.965 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.195 8.195 0.462 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.315 7.583 -0.524 1.00 0.00 C ATOM 1556 C LEU A 98 -1.534 8.189 -1.920 1.00 0.00 C ATOM 1557 O LEU A 98 -0.617 8.235 -2.741 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.471 6.061 -0.476 1.00 0.00 C ATOM 1559 CG LEU A 98 -1.140 5.488 0.913 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.458 3.992 0.939 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.323 5.730 1.301 1.00 0.00 C ATOM 0 H LEU A 98 -2.848 7.557 0.918 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.276 7.803 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.493 5.793 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.817 5.606 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.756 6.007 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.223 3.587 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.517 3.841 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.861 3.480 0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.512 5.309 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.977 5.252 0.572 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.522 6.802 1.319 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.733 8.732 -2.149 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.149 9.357 -3.396 1.00 0.00 C ATOM 1575 C LYS A 99 -2.567 10.771 -3.564 1.00 0.00 C ATOM 1576 O LYS A 99 -2.819 11.426 -4.571 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.682 9.373 -3.408 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.253 9.171 -4.812 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.768 8.944 -4.752 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.549 10.208 -4.374 1.00 0.00 C ATOM 1581 NZ LYS A 99 -9.005 9.974 -4.456 1.00 0.00 N ATOM 0 H LYS A 99 -3.465 8.746 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.765 8.785 -4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.057 8.589 -2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.036 10.323 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.035 10.043 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.771 8.317 -5.287 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.115 8.586 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.984 8.160 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.283 10.516 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.270 11.025 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.512 10.844 -4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.259 9.703 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.271 9.210 -3.803 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.809 11.240 -2.568 1.00 0.00 N ATOM 1596 CA LYS A 100 -1.049 12.484 -2.533 1.00 0.00 C ATOM 1597 C LYS A 100 0.436 12.140 -2.419 1.00 0.00 C ATOM 1598 O LYS A 100 1.255 12.757 -3.088 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.459 13.386 -1.352 1.00 0.00 C ATOM 1600 CG LYS A 100 -2.887 13.182 -0.823 1.00 0.00 C ATOM 1601 CD LYS A 100 -3.625 14.497 -0.538 1.00 0.00 C ATOM 1602 CE LYS A 100 -4.081 15.183 -1.833 1.00 0.00 C ATOM 1603 NZ LYS A 100 -4.818 16.434 -1.554 1.00 0.00 N ATOM 0 H LYS A 100 -1.706 10.715 -1.699 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.256 13.037 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.760 13.220 -0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.350 14.426 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.457 12.604 -1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.847 12.591 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.491 14.299 0.094 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.971 15.168 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.213 15.402 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.717 14.504 -2.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.111 16.871 -2.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.659 16.221 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.202 17.091 -1.033 1.00 0.00 H new ATOM 1617 N ALA A 101 0.778 11.145 -1.588 1.00 0.00 N ATOM 1618 CA ALA A 101 2.120 10.602 -1.445 1.00 0.00 C ATOM 1619 C ALA A 101 2.695 10.236 -2.806 1.00 0.00 C ATOM 1620 O ALA A 101 3.868 10.475 -3.076 1.00 0.00 O ATOM 1621 CB ALA A 101 2.105 9.364 -0.544 1.00 0.00 C ATOM 0 H ALA A 101 0.099 10.687 -0.980 1.00 0.00 H new ATOM 0 HA ALA A 101 2.748 11.367 -0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.117 8.971 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.727 9.636 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.460 8.602 -0.983 1.00 0.00 H new ATOM 1627 N THR A 102 1.837 9.684 -3.671 1.00 0.00 N ATOM 1628 CA THR A 102 2.136 9.408 -5.068 1.00 0.00 C ATOM 1629 C THR A 102 2.950 10.525 -5.734 1.00 0.00 C ATOM 1630 O THR A 102 3.793 10.257 -6.589 1.00 0.00 O ATOM 1631 CB THR A 102 0.822 9.119 -5.815 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.060 8.608 -7.108 1.00 0.00 O ATOM 1633 CG2 THR A 102 -0.081 10.345 -5.956 1.00 0.00 C ATOM 0 H THR A 102 0.891 9.412 -3.405 1.00 0.00 H new ATOM 0 HA THR A 102 2.775 8.526 -5.117 1.00 0.00 H new ATOM 0 HB THR A 102 0.312 8.379 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.450 7.712 -7.039 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.989 10.069 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.344 10.719 -4.966 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.445 11.123 -6.510 1.00 0.00 H new ATOM 1641 N ASN A 103 2.678 11.769 -5.334 1.00 0.00 N ATOM 1642 CA ASN A 103 3.280 12.983 -5.853 1.00 0.00 C ATOM 1643 C ASN A 103 3.793 13.907 -4.742 1.00 0.00 C ATOM 1644 O ASN A 103 3.798 15.123 -4.949 1.00 0.00 O ATOM 1645 CB ASN A 103 2.232 13.682 -6.731 1.00 0.00 C ATOM 1646 CG ASN A 103 1.001 14.174 -5.964 1.00 0.00 C ATOM 1647 OD1 ASN A 103 -0.070 13.581 -6.043 1.00 0.00 O ATOM 1648 ND2 ASN A 103 1.119 15.280 -5.236 1.00 0.00 N ATOM 0 H ASN A 103 1.995 11.958 -4.601 1.00 0.00 H new ATOM 0 HA ASN A 103 4.161 12.728 -6.442 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.699 14.531 -7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.909 12.993 -7.511 1.00 0.00 H new ATOM 0 HD21 ASN A 103 0.312 15.648 -4.732 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.017 15.761 -5.181 1.00 0.00 H new ATOM 1655 N GLU A 104 4.200 13.371 -3.585 1.00 0.00 N ATOM 1656 CA GLU A 104 4.888 14.191 -2.589 1.00 0.00 C ATOM 1657 C GLU A 104 6.354 14.393 -2.994 1.00 0.00 C ATOM 1658 O GLU A 104 6.849 13.575 -3.805 1.00 0.00 O ATOM 1659 CB GLU A 104 4.673 13.692 -1.145 1.00 0.00 C ATOM 1660 CG GLU A 104 5.383 12.385 -0.725 1.00 0.00 C ATOM 1661 CD GLU A 104 6.471 12.591 0.328 1.00 0.00 C ATOM 1662 OE1 GLU A 104 6.202 13.354 1.283 1.00 0.00 O ATOM 1663 OE2 GLU A 104 7.521 11.922 0.209 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.935 15.403 -2.537 1.00 0.00 O ATOM 0 H GLU A 104 4.068 12.395 -3.322 1.00 0.00 H new ATOM 0 HA GLU A 104 4.433 15.181 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.994 14.482 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.602 13.556 -0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.641 11.687 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.826 11.922 -1.607 1.00 0.00 H new