USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 884 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 116 THR OG1 : rot 173:sc= -4.02! USER MOD Set 1.2: A 125 LYS NZ :NH3+ 169:sc= -1.38 (180deg=-2.17!) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 158:sc= 1.32 (180deg=1.04) USER MOD Set 2.2: A 48 THR OG1 : rot -11:sc= -2.53! USER MOD Set 3.1: A 5 THR OG1 : rot 14:sc= 2.14 USER MOD Set 3.2: A 39 THR OG1 : rot -27:sc= 0.574 USER MOD Single : A 7 LYS NZ :NH3+ -151:sc= 1.25 (180deg=-0.438) USER MOD Single : A 11 ASN :FLIP amide:sc= -13.5! C(o=-15!,f=-13!) USER MOD Single : A 13 ASN :FLIP amide:sc= -10.3! C(o=-12!,f=-10!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= 0.39 (180deg=-1.47!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= 1.13 (180deg=-0.601) USER MOD Single : A 21 MET CE :methyl -119:sc= -0.755 (180deg=-1.11) USER MOD Single : A 24 ASN : amide:sc= 0.343 K(o=0.34,f=-6.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 130:sc= -0.0243 (180deg=-2.65!) USER MOD Single : A 33 HIS : no HE2:sc= -0.769 K(o=-0.77,f=-1.4) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.141 (180deg=-0.604) USER MOD Single : A 41 THR OG1 : rot 141:sc= 1.29 USER MOD Single : A 42 GLN :FLIP amide:sc= -0.0668 F(o=-1.9!,f=-0.067) USER MOD Single : A 45 ASN :FLIP amide:sc= -1.16 F(o=-5.2!,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ -153:sc= 0.945 (180deg=-0.424!) USER MOD Single : A 52 SER OG : rot 130:sc= -3.55! USER MOD Single : A 53 SER OG : rot 15:sc= 1.17 USER MOD Single : A 54 ASN : amide:sc= -1.4 K(o=-1.4,f=-2) USER MOD Single : A 57 ASN :FLIP amide:sc= 1.09 F(o=-0.13,f=1.1) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -152:sc= -2.08! USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -60:sc= 0.0383 USER MOD Single : A 81 THR OG1 : rot -41:sc= -1.77 USER MOD Single : A 83 THR OG1 : rot 54:sc= 1.35 USER MOD Single : A 84 MET CE :methyl -149:sc= -3.16 (180deg=-6.28!) USER MOD Single : A 87 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.58) USER MOD Single : A 88 LYS NZ :NH3+ -114:sc= -2.17 (180deg=-5.48!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 139:sc= 1.16 (180deg=0.0903) USER MOD Single : A 98 ASN : amide:sc= -0.101 K(o=-0.1,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ -105:sc= 1.2 (180deg=-0.861) USER MOD Single : A 109 SER OG : rot -8:sc= 1.16 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.984 F(o=-4.1!,f=-0.98) USER MOD Single : A 115 GLN :FLIP amide:sc= -0.268 F(o=-3.6!,f=-0.27) USER MOD Single : A 117 TYR OH : rot 85:sc= -0.208! USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : A 119 TYR OH : rot 123:sc= 1.73 USER MOD Single : A 129 LYS NZ :NH3+ 163:sc= -3.65! (180deg=-4.91!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 10.478 -11.206 0.817 1.00 0.00 N ATOM 14 CA PHE A 2 9.392 -11.226 1.802 1.00 0.00 C ATOM 15 C PHE A 2 9.957 -11.298 3.216 1.00 0.00 C ATOM 16 O PHE A 2 9.379 -11.930 4.104 1.00 0.00 O ATOM 17 CB PHE A 2 8.433 -12.402 1.545 1.00 0.00 C ATOM 18 CG PHE A 2 7.498 -12.204 0.380 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.873 -11.454 -0.721 1.00 0.00 C ATOM 20 CD2 PHE A 2 6.233 -12.773 0.396 1.00 0.00 C ATOM 21 CE1 PHE A 2 7.011 -11.274 -1.784 1.00 0.00 C ATOM 22 CE2 PHE A 2 5.365 -12.597 -0.663 1.00 0.00 C ATOM 23 CZ PHE A 2 5.754 -11.846 -1.754 1.00 0.00 C ATOM 0 HA PHE A 2 8.826 -10.300 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.022 -13.303 1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 2 7.841 -12.575 2.444 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.854 -11.003 -0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.923 -13.361 1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.319 -10.687 -2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.383 -13.046 -0.638 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.076 -11.706 -2.583 1.00 0.00 H new ATOM 32 N ASP A 3 11.095 -10.639 3.407 1.00 0.00 N ATOM 33 CA ASP A 3 11.775 -10.621 4.699 1.00 0.00 C ATOM 34 C ASP A 3 12.929 -9.641 4.652 1.00 0.00 C ATOM 35 O ASP A 3 13.954 -9.817 5.310 1.00 0.00 O ATOM 36 CB ASP A 3 12.312 -12.007 5.029 1.00 0.00 C ATOM 37 CG ASP A 3 12.479 -12.233 6.516 1.00 0.00 C ATOM 38 OD1 ASP A 3 11.503 -12.025 7.269 1.00 0.00 O ATOM 39 OD2 ASP A 3 13.577 -12.654 6.937 1.00 0.00 O ATOM 0 H ASP A 3 11.569 -10.106 2.678 1.00 0.00 H new ATOM 0 HA ASP A 3 11.063 -10.318 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 3 11.634 -12.760 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.274 -12.146 4.535 1.00 0.00 H new ATOM 43 N GLY A 4 12.759 -8.612 3.850 1.00 0.00 N ATOM 44 CA GLY A 4 13.784 -7.620 3.703 1.00 0.00 C ATOM 45 C GLY A 4 13.425 -6.348 4.424 1.00 0.00 C ATOM 46 O GLY A 4 12.256 -6.128 4.748 1.00 0.00 O ATOM 0 H GLY A 4 11.920 -8.447 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.726 -8.007 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.939 -7.409 2.645 1.00 0.00 H new ATOM 50 N THR A 5 14.365 -5.431 4.493 1.00 0.00 N ATOM 51 CA THR A 5 14.084 -4.124 4.944 1.00 0.00 C ATOM 52 C THR A 5 15.021 -3.250 4.202 1.00 0.00 C ATOM 53 O THR A 5 16.134 -3.661 3.888 1.00 0.00 O ATOM 54 CB THR A 5 14.244 -3.922 6.459 1.00 0.00 C ATOM 55 OG1 THR A 5 13.884 -2.573 6.761 1.00 0.00 O ATOM 56 CG2 THR A 5 15.669 -4.196 6.922 1.00 0.00 C ATOM 0 H THR A 5 15.339 -5.590 4.234 1.00 0.00 H new ATOM 0 HA THR A 5 13.035 -3.895 4.759 1.00 0.00 H new ATOM 0 HB THR A 5 13.599 -4.627 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.421 -2.178 5.993 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.738 -4.041 7.999 1.00 0.00 H new ATOM 0 HG22 THR A 5 15.937 -5.226 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.354 -3.517 6.414 1.00 0.00 H new ATOM 64 N TRP A 6 14.485 -2.204 3.666 1.00 0.00 N ATOM 65 CA TRP A 6 15.152 -1.481 2.691 1.00 0.00 C ATOM 66 C TRP A 6 14.479 -0.159 2.729 1.00 0.00 C ATOM 67 O TRP A 6 13.337 -0.110 3.189 1.00 0.00 O ATOM 68 CB TRP A 6 15.043 -2.139 1.339 1.00 0.00 C ATOM 69 CG TRP A 6 14.159 -3.350 1.197 1.00 0.00 C ATOM 70 CD1 TRP A 6 14.508 -4.505 0.575 1.00 0.00 C ATOM 71 CD2 TRP A 6 12.790 -3.515 1.596 1.00 0.00 C ATOM 72 NE1 TRP A 6 13.459 -5.380 0.560 1.00 0.00 N ATOM 73 CE2 TRP A 6 12.389 -4.793 1.166 1.00 0.00 C ATOM 74 CE3 TRP A 6 11.865 -2.717 2.268 1.00 0.00 C ATOM 75 CZ2 TRP A 6 11.109 -5.277 1.369 1.00 0.00 C ATOM 76 CZ3 TRP A 6 10.592 -3.208 2.472 1.00 0.00 C ATOM 77 CH2 TRP A 6 10.224 -4.469 2.017 1.00 0.00 C ATOM 0 H TRP A 6 13.563 -1.842 3.910 1.00 0.00 H new ATOM 0 HA TRP A 6 16.225 -1.409 2.869 1.00 0.00 H new ATOM 0 HB2 TRP A 6 14.691 -1.387 0.632 1.00 0.00 H new ATOM 0 HB3 TRP A 6 16.048 -2.424 1.027 1.00 0.00 H new ATOM 0 HD1 TRP A 6 15.481 -4.705 0.151 1.00 0.00 H new ATOM 0 HE1 TRP A 6 13.474 -6.319 0.161 1.00 0.00 H new ATOM 0 HE3 TRP A 6 12.140 -1.734 2.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.822 -6.260 1.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 9.868 -2.601 2.995 1.00 0.00 H new ATOM 0 HH2 TRP A 6 9.214 -4.816 2.181 1.00 0.00 H new ATOM 87 N LYS A 7 15.172 0.934 2.539 1.00 0.00 N ATOM 88 CA LYS A 7 14.556 2.137 3.018 1.00 0.00 C ATOM 89 C LYS A 7 15.190 3.469 2.586 1.00 0.00 C ATOM 90 O LYS A 7 16.226 3.861 3.117 1.00 0.00 O ATOM 91 CB LYS A 7 14.483 2.084 4.543 1.00 0.00 C ATOM 92 CG LYS A 7 15.448 1.127 5.256 1.00 0.00 C ATOM 93 CD LYS A 7 16.898 1.550 5.096 1.00 0.00 C ATOM 94 CE LYS A 7 17.829 0.726 5.968 1.00 0.00 C ATOM 95 NZ LYS A 7 19.226 1.222 5.892 1.00 0.00 N ATOM 0 H LYS A 7 16.086 1.017 2.095 1.00 0.00 H new ATOM 0 HA LYS A 7 13.574 2.146 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.660 3.089 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.466 1.810 4.824 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.198 1.085 6.316 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.319 0.120 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 7 17.193 1.447 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.999 2.604 5.353 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.486 0.760 7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.795 -0.317 5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.884 0.433 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.399 1.628 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.375 1.952 6.617 1.00 0.00 H new ATOM 105 N VAL A 8 14.340 4.302 2.000 1.00 0.00 N ATOM 106 CA VAL A 8 14.568 5.755 1.936 1.00 0.00 C ATOM 107 C VAL A 8 13.337 6.390 1.435 1.00 0.00 C ATOM 108 O VAL A 8 13.075 7.568 1.674 1.00 0.00 O ATOM 109 CB VAL A 8 15.649 6.292 0.964 1.00 0.00 C ATOM 110 CG1 VAL A 8 16.640 7.164 1.696 1.00 0.00 C ATOM 111 CG2 VAL A 8 16.350 5.240 0.163 1.00 0.00 C ATOM 0 H VAL A 8 13.474 3.999 1.555 1.00 0.00 H new ATOM 0 HA VAL A 8 14.890 5.985 2.952 1.00 0.00 H new ATOM 0 HB VAL A 8 15.107 6.891 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.390 7.530 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 8 16.119 8.010 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.128 6.583 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 8 17.088 5.709 -0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.851 4.544 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.623 4.700 -0.443 1.00 0.00 H new ATOM 121 N ASP A 9 12.856 5.743 0.427 1.00 0.00 N ATOM 122 CA ASP A 9 11.968 6.395 -0.458 1.00 0.00 C ATOM 123 C ASP A 9 10.626 5.672 -0.549 1.00 0.00 C ATOM 124 O ASP A 9 10.297 4.816 0.275 1.00 0.00 O ATOM 125 CB ASP A 9 12.704 6.531 -1.772 1.00 0.00 C ATOM 126 CG ASP A 9 13.688 7.682 -1.795 1.00 0.00 C ATOM 127 OD1 ASP A 9 13.290 8.828 -1.514 1.00 0.00 O ATOM 128 OD2 ASP A 9 14.869 7.442 -2.114 1.00 0.00 O ATOM 0 H ASP A 9 13.064 4.770 0.201 1.00 0.00 H new ATOM 0 HA ASP A 9 11.690 7.387 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.237 5.603 -1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.978 6.667 -2.574 1.00 0.00 H new ATOM 132 N ARG A 10 9.814 6.185 -1.430 1.00 0.00 N ATOM 133 CA ARG A 10 8.398 5.894 -1.545 1.00 0.00 C ATOM 134 C ARG A 10 8.000 6.491 -2.863 1.00 0.00 C ATOM 135 O ARG A 10 8.789 7.122 -3.474 1.00 0.00 O ATOM 136 CB ARG A 10 7.587 6.531 -0.424 1.00 0.00 C ATOM 137 CG ARG A 10 7.469 8.045 -0.540 1.00 0.00 C ATOM 138 CD ARG A 10 6.268 8.597 0.210 1.00 0.00 C ATOM 139 NE ARG A 10 6.254 8.215 1.631 1.00 0.00 N ATOM 140 CZ ARG A 10 5.645 7.121 2.116 1.00 0.00 C ATOM 141 NH1 ARG A 10 4.871 6.379 1.330 1.00 0.00 N ATOM 142 NH2 ARG A 10 5.781 6.788 3.397 1.00 0.00 N ATOM 0 H ARG A 10 10.132 6.856 -2.130 1.00 0.00 H new ATOM 0 HA ARG A 10 8.210 4.822 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.587 6.097 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.048 6.283 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.378 8.507 -0.154 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.394 8.320 -1.592 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.265 9.684 0.131 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.354 8.241 -0.266 1.00 0.00 H new ATOM 0 HE ARG A 10 6.739 8.822 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.737 6.640 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.411 5.549 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.350 7.365 4.016 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.316 5.956 3.760 1.00 0.00 H new ATOM 153 N ASN A 11 6.792 6.501 -3.239 1.00 0.00 N ATOM 154 CA ASN A 11 6.516 7.303 -4.386 1.00 0.00 C ATOM 155 C ASN A 11 6.206 8.662 -3.856 1.00 0.00 C ATOM 156 O ASN A 11 5.757 8.791 -2.717 1.00 0.00 O ATOM 157 CB ASN A 11 5.369 6.671 -5.190 1.00 0.00 C ATOM 158 CG ASN A 11 4.009 7.432 -5.301 1.00 0.00 C ATOM 159 OD1 ASN A 11 3.726 8.408 -4.450 1.00 0.00 O flip ATOM 160 ND2 ASN A 11 3.169 7.054 -6.108 1.00 0.00 N flip ATOM 0 H ASN A 11 6.009 6.004 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 11 7.351 7.371 -5.084 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.733 6.500 -6.203 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.163 5.693 -4.756 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.391 6.303 -6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.247 7.491 -6.127 1.00 0.00 H new ATOM 166 N GLU A 12 6.331 9.674 -4.650 1.00 0.00 N ATOM 167 CA GLU A 12 6.059 10.958 -4.117 1.00 0.00 C ATOM 168 C GLU A 12 4.637 11.269 -4.377 1.00 0.00 C ATOM 169 O GLU A 12 4.258 11.698 -5.433 1.00 0.00 O ATOM 170 CB GLU A 12 6.838 12.100 -4.750 1.00 0.00 C ATOM 171 CG GLU A 12 8.340 12.109 -4.604 1.00 0.00 C ATOM 172 CD GLU A 12 9.056 11.239 -5.611 1.00 0.00 C ATOM 173 OE1 GLU A 12 8.441 10.308 -6.155 1.00 0.00 O ATOM 174 OE2 GLU A 12 10.263 11.471 -5.830 1.00 0.00 O ATOM 0 H GLU A 12 6.609 9.639 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 12 6.338 10.898 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.607 12.109 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.458 13.033 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.699 13.133 -4.702 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.600 11.775 -3.599 1.00 0.00 H new ATOM 179 N ASN A 13 3.979 11.416 -3.303 1.00 0.00 N ATOM 180 CA ASN A 13 2.737 12.066 -3.278 1.00 0.00 C ATOM 181 C ASN A 13 3.042 13.507 -3.413 1.00 0.00 C ATOM 182 O ASN A 13 2.455 14.234 -4.190 1.00 0.00 O ATOM 183 CB ASN A 13 2.118 11.795 -1.952 1.00 0.00 C ATOM 184 CG ASN A 13 1.823 10.337 -1.737 1.00 0.00 C ATOM 185 OD1 ASN A 13 1.069 9.799 -2.650 1.00 0.00 O flip ATOM 186 ND2 ASN A 13 2.288 9.712 -0.793 1.00 0.00 N flip ATOM 0 H ASN A 13 4.295 11.080 -2.393 1.00 0.00 H new ATOM 0 HA ASN A 13 2.058 11.736 -4.064 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.786 12.146 -1.165 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.193 12.365 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.874 10.187 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.090 8.716 -0.693 1.00 0.00 H new ATOM 192 N TYR A 14 4.171 13.784 -2.839 1.00 0.00 N ATOM 193 CA TYR A 14 4.923 14.956 -3.061 1.00 0.00 C ATOM 194 C TYR A 14 5.055 15.291 -4.540 1.00 0.00 C ATOM 195 O TYR A 14 5.540 16.351 -4.875 1.00 0.00 O ATOM 196 CB TYR A 14 6.339 14.732 -2.493 1.00 0.00 C ATOM 197 CG TYR A 14 7.385 15.755 -2.917 1.00 0.00 C ATOM 198 CD1 TYR A 14 7.197 17.109 -2.672 1.00 0.00 C ATOM 199 CD2 TYR A 14 8.545 15.371 -3.581 1.00 0.00 C ATOM 200 CE1 TYR A 14 8.120 18.046 -3.072 1.00 0.00 C ATOM 201 CE2 TYR A 14 9.479 16.308 -3.986 1.00 0.00 C ATOM 202 CZ TYR A 14 9.257 17.647 -3.730 1.00 0.00 C ATOM 203 OH TYR A 14 10.177 18.592 -4.124 1.00 0.00 O ATOM 0 H TYR A 14 4.608 13.155 -2.166 1.00 0.00 H new ATOM 0 HA TYR A 14 4.407 15.783 -2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.279 14.729 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.681 13.742 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.306 17.433 -2.156 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.720 14.325 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.951 19.093 -2.869 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.376 15.994 -4.499 1.00 0.00 H new ATOM 0 HH TYR A 14 10.926 18.151 -4.576 1.00 0.00 H new ATOM 212 N GLU A 15 4.773 14.341 -5.407 1.00 0.00 N ATOM 213 CA GLU A 15 4.809 14.600 -6.813 1.00 0.00 C ATOM 214 C GLU A 15 3.448 14.491 -7.395 1.00 0.00 C ATOM 215 O GLU A 15 3.034 15.305 -8.160 1.00 0.00 O ATOM 216 CB GLU A 15 5.827 13.721 -7.516 1.00 0.00 C ATOM 217 CG GLU A 15 5.347 12.314 -7.823 1.00 0.00 C ATOM 218 CD GLU A 15 6.191 11.642 -8.889 1.00 0.00 C ATOM 219 OE1 GLU A 15 6.295 12.188 -10.007 1.00 0.00 O ATOM 220 OE2 GLU A 15 6.767 10.576 -8.616 1.00 0.00 O ATOM 0 H GLU A 15 4.518 13.387 -5.154 1.00 0.00 H new ATOM 0 HA GLU A 15 5.143 15.626 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.119 14.202 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.722 13.658 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.372 11.716 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.309 12.350 -8.153 1.00 0.00 H new ATOM 225 N LYS A 16 2.744 13.498 -6.971 1.00 0.00 N ATOM 226 CA LYS A 16 1.391 13.274 -7.440 1.00 0.00 C ATOM 227 C LYS A 16 0.545 14.392 -7.048 1.00 0.00 C ATOM 228 O LYS A 16 0.024 15.125 -7.849 1.00 0.00 O ATOM 229 CB LYS A 16 0.785 12.082 -6.729 1.00 0.00 C ATOM 230 CG LYS A 16 1.753 11.059 -6.251 1.00 0.00 C ATOM 231 CD LYS A 16 1.027 10.047 -5.458 1.00 0.00 C ATOM 232 CE LYS A 16 0.873 8.749 -6.218 1.00 0.00 C ATOM 233 NZ LYS A 16 -0.101 7.831 -5.582 1.00 0.00 N ATOM 0 H LYS A 16 3.075 12.812 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 16 1.440 13.136 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.214 12.443 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.078 11.600 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.252 10.588 -7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.528 11.528 -5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.561 9.862 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.043 10.431 -5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.552 8.964 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.842 8.255 -6.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.552 7.244 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.392 7.219 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.828 8.385 -5.086 1.00 0.00 H new ATOM 243 N PHE A 17 0.518 14.565 -5.785 1.00 0.00 N ATOM 244 CA PHE A 17 -0.243 15.602 -5.199 1.00 0.00 C ATOM 245 C PHE A 17 0.456 16.856 -5.480 1.00 0.00 C ATOM 246 O PHE A 17 -0.058 17.917 -5.209 1.00 0.00 O ATOM 247 CB PHE A 17 -0.350 15.431 -3.698 1.00 0.00 C ATOM 248 CG PHE A 17 -0.713 14.022 -3.225 1.00 0.00 C ATOM 249 CD1 PHE A 17 -0.248 12.894 -3.879 1.00 0.00 C ATOM 250 CD2 PHE A 17 -1.580 13.827 -2.160 1.00 0.00 C ATOM 251 CE1 PHE A 17 -0.624 11.658 -3.511 1.00 0.00 C ATOM 252 CE2 PHE A 17 -1.963 12.549 -1.778 1.00 0.00 C ATOM 253 CZ PHE A 17 -1.482 11.461 -2.475 1.00 0.00 C ATOM 0 H PHE A 17 1.028 13.986 -5.118 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.253 15.591 -5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.602 15.714 -3.248 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.100 16.127 -3.322 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.435 13.011 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.962 14.681 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.237 10.805 -4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.632 12.408 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.784 10.461 -2.200 1.00 0.00 H new ATOM 262 N MET A 18 1.673 16.719 -5.947 1.00 0.00 N ATOM 263 CA MET A 18 2.397 17.855 -6.400 1.00 0.00 C ATOM 264 C MET A 18 1.905 18.246 -7.769 1.00 0.00 C ATOM 265 O MET A 18 1.975 19.408 -8.171 1.00 0.00 O ATOM 266 CB MET A 18 3.855 17.527 -6.449 1.00 0.00 C ATOM 267 CG MET A 18 4.540 18.047 -7.695 1.00 0.00 C ATOM 268 SD MET A 18 6.195 17.372 -7.933 1.00 0.00 S ATOM 269 CE MET A 18 6.549 17.927 -9.600 1.00 0.00 C ATOM 0 H MET A 18 2.171 15.832 -6.019 1.00 0.00 H new ATOM 0 HA MET A 18 2.244 18.689 -5.715 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.345 17.946 -5.570 1.00 0.00 H new ATOM 0 HB3 MET A 18 3.980 16.445 -6.398 1.00 0.00 H new ATOM 0 HG2 MET A 18 3.928 17.807 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.603 19.134 -7.640 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.542 17.587 -9.893 1.00 0.00 H new ATOM 0 HE2 MET A 18 5.808 17.516 -10.285 1.00 0.00 H new ATOM 0 HE3 MET A 18 6.513 19.016 -9.636 1.00 0.00 H new ATOM 277 N GLU A 19 1.482 17.252 -8.511 1.00 0.00 N ATOM 278 CA GLU A 19 1.019 17.481 -9.838 1.00 0.00 C ATOM 279 C GLU A 19 -0.449 17.804 -9.832 1.00 0.00 C ATOM 280 O GLU A 19 -0.979 18.304 -10.824 1.00 0.00 O ATOM 281 CB GLU A 19 1.195 16.242 -10.684 1.00 0.00 C ATOM 282 CG GLU A 19 2.627 15.777 -10.773 1.00 0.00 C ATOM 283 CD GLU A 19 2.844 14.782 -11.892 1.00 0.00 C ATOM 284 OE1 GLU A 19 1.853 14.408 -12.559 1.00 0.00 O ATOM 285 OE2 GLU A 19 3.999 14.384 -12.126 1.00 0.00 O ATOM 0 H GLU A 19 1.453 16.278 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 19 1.598 18.310 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.585 15.439 -10.271 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.822 16.441 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.277 16.639 -10.926 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.918 15.323 -9.826 1.00 0.00 H new ATOM 290 N LYS A 20 -1.146 17.162 -8.904 1.00 0.00 N ATOM 291 CA LYS A 20 -2.571 17.027 -9.091 1.00 0.00 C ATOM 292 C LYS A 20 -3.396 17.313 -7.836 1.00 0.00 C ATOM 293 O LYS A 20 -4.442 17.953 -7.914 1.00 0.00 O ATOM 294 CB LYS A 20 -2.883 15.616 -9.590 1.00 0.00 C ATOM 295 CG LYS A 20 -2.506 14.512 -8.607 1.00 0.00 C ATOM 296 CD LYS A 20 -2.902 13.141 -9.130 1.00 0.00 C ATOM 297 CE LYS A 20 -4.352 13.093 -9.612 1.00 0.00 C ATOM 298 NZ LYS A 20 -5.332 13.379 -8.528 1.00 0.00 N ATOM 0 H LYS A 20 -0.765 16.746 -8.054 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.857 17.781 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.949 15.546 -9.807 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.355 15.449 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.432 14.537 -8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.996 14.693 -7.650 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.241 12.864 -9.951 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.760 12.401 -8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.486 13.816 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.558 12.108 -10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.814 12.499 -8.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.833 13.771 -7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.034 14.067 -8.867 1.00 0.00 H new ATOM 308 N MET A 21 -3.051 16.628 -6.754 1.00 0.00 N ATOM 309 CA MET A 21 -3.888 16.579 -5.561 1.00 0.00 C ATOM 310 C MET A 21 -4.259 17.954 -5.048 1.00 0.00 C ATOM 311 O MET A 21 -5.430 18.278 -4.859 1.00 0.00 O ATOM 312 CB MET A 21 -3.147 15.836 -4.468 1.00 0.00 C ATOM 313 CG MET A 21 -3.659 16.077 -3.069 1.00 0.00 C ATOM 314 SD MET A 21 -5.352 15.505 -2.814 1.00 0.00 S ATOM 315 CE MET A 21 -5.165 13.742 -3.066 1.00 0.00 C ATOM 0 H MET A 21 -2.186 16.092 -6.678 1.00 0.00 H new ATOM 0 HA MET A 21 -4.812 16.069 -5.834 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.198 14.768 -4.678 1.00 0.00 H new ATOM 0 HB3 MET A 21 -2.095 16.119 -4.507 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.003 15.574 -2.359 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.607 17.144 -2.850 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.782 13.427 -3.908 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.120 13.513 -3.276 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.479 13.211 -2.168 1.00 0.00 H new ATOM 323 N GLY A 22 -3.239 18.707 -4.730 1.00 0.00 N ATOM 324 CA GLY A 22 -3.445 20.016 -4.132 1.00 0.00 C ATOM 325 C GLY A 22 -2.265 20.894 -4.391 1.00 0.00 C ATOM 326 O GLY A 22 -2.401 22.086 -4.652 1.00 0.00 O ATOM 0 H GLY A 22 -2.263 18.447 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.345 20.474 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.602 19.913 -3.058 1.00 0.00 H new ATOM 330 N ILE A 23 -1.132 20.221 -4.493 1.00 0.00 N ATOM 331 CA ILE A 23 0.107 20.788 -4.940 1.00 0.00 C ATOM 332 C ILE A 23 0.487 22.025 -4.111 1.00 0.00 C ATOM 333 O ILE A 23 0.492 21.945 -2.877 1.00 0.00 O ATOM 334 CB ILE A 23 0.058 20.992 -6.490 1.00 0.00 C ATOM 335 CG1 ILE A 23 -0.628 22.291 -6.926 1.00 0.00 C ATOM 336 CG2 ILE A 23 -0.711 19.821 -7.121 1.00 0.00 C ATOM 337 CD1 ILE A 23 -0.275 22.723 -8.332 1.00 0.00 C ATOM 0 H ILE A 23 -1.058 19.232 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 23 0.933 20.100 -4.762 1.00 0.00 H new ATOM 0 HB ILE A 23 1.094 21.043 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.708 22.162 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.355 23.086 -6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.751 19.953 -8.202 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.203 18.885 -6.888 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.724 19.793 -6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.798 23.649 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.801 22.885 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.573 21.947 -9.037 1.00 0.00 H new ATOM 348 N ASN A 24 0.874 23.103 -4.766 1.00 0.00 N ATOM 349 CA ASN A 24 1.269 24.345 -4.107 1.00 0.00 C ATOM 350 C ASN A 24 2.628 24.178 -3.423 1.00 0.00 C ATOM 351 O ASN A 24 3.505 23.482 -3.938 1.00 0.00 O ATOM 352 CB ASN A 24 0.188 24.785 -3.105 1.00 0.00 C ATOM 353 CG ASN A 24 0.073 26.292 -2.972 1.00 0.00 C ATOM 354 OD1 ASN A 24 1.001 26.963 -2.528 1.00 0.00 O ATOM 355 ND2 ASN A 24 -1.075 26.830 -3.354 1.00 0.00 N ATOM 0 H ASN A 24 0.925 23.147 -5.784 1.00 0.00 H new ATOM 0 HA ASN A 24 1.368 25.128 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.774 24.380 -3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.412 24.357 -2.128 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.214 27.838 -3.285 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.821 26.236 -3.717 1.00 0.00 H new ATOM 361 N VAL A 25 2.820 24.861 -2.307 1.00 0.00 N ATOM 362 CA VAL A 25 4.098 24.864 -1.593 1.00 0.00 C ATOM 363 C VAL A 25 4.353 23.563 -0.827 1.00 0.00 C ATOM 364 O VAL A 25 4.686 23.591 0.362 1.00 0.00 O ATOM 365 CB VAL A 25 4.192 26.059 -0.619 1.00 0.00 C ATOM 366 CG1 VAL A 25 4.386 27.355 -1.387 1.00 0.00 C ATOM 367 CG2 VAL A 25 2.951 26.142 0.262 1.00 0.00 C ATOM 0 H VAL A 25 2.098 25.431 -1.866 1.00 0.00 H new ATOM 0 HA VAL A 25 4.867 24.957 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 25 5.056 25.904 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.450 28.187 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.306 27.299 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.541 27.510 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.042 26.991 0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.068 26.270 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.855 25.224 0.842 1.00 0.00 H new ATOM 377 N VAL A 26 4.284 22.435 -1.533 1.00 0.00 N ATOM 378 CA VAL A 26 4.585 21.130 -0.946 1.00 0.00 C ATOM 379 C VAL A 26 3.639 20.848 0.227 1.00 0.00 C ATOM 380 O VAL A 26 4.066 20.630 1.361 1.00 0.00 O ATOM 381 CB VAL A 26 6.072 21.050 -0.494 1.00 0.00 C ATOM 382 CG1 VAL A 26 6.449 19.655 -0.009 1.00 0.00 C ATOM 383 CG2 VAL A 26 6.990 21.469 -1.631 1.00 0.00 C ATOM 0 H VAL A 26 4.021 22.399 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 26 4.431 20.365 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 26 6.194 21.735 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.495 19.646 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.821 19.383 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.300 18.937 -0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.027 21.409 -1.302 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.840 20.806 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.761 22.494 -1.924 1.00 0.00 H new ATOM 393 N LYS A 27 2.343 20.977 -0.034 1.00 0.00 N ATOM 394 CA LYS A 27 1.339 20.807 1.008 1.00 0.00 C ATOM 395 C LYS A 27 1.059 19.327 1.275 1.00 0.00 C ATOM 396 O LYS A 27 1.559 18.763 2.241 1.00 0.00 O ATOM 397 CB LYS A 27 0.049 21.543 0.636 1.00 0.00 C ATOM 398 CG LYS A 27 0.192 23.057 0.638 1.00 0.00 C ATOM 399 CD LYS A 27 0.502 23.581 2.030 1.00 0.00 C ATOM 400 CE LYS A 27 -0.645 23.315 2.994 1.00 0.00 C ATOM 401 NZ LYS A 27 -0.255 23.577 4.404 1.00 0.00 N ATOM 0 H LYS A 27 1.965 21.198 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 27 1.734 21.241 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.273 21.218 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.737 21.259 1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.986 23.350 -0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.729 23.512 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.410 23.108 2.404 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.697 24.652 1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.495 23.944 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.971 22.280 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.063 23.384 5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.540 22.959 4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.032 24.571 4.506 1.00 0.00 H new ATOM 411 N ARG A 28 0.242 18.704 0.430 1.00 0.00 N ATOM 412 CA ARG A 28 -0.135 17.304 0.620 1.00 0.00 C ATOM 413 C ARG A 28 0.914 16.358 0.027 1.00 0.00 C ATOM 414 O ARG A 28 0.589 15.266 -0.441 1.00 0.00 O ATOM 415 CB ARG A 28 -1.496 17.022 -0.025 1.00 0.00 C ATOM 416 CG ARG A 28 -2.167 15.744 0.468 1.00 0.00 C ATOM 417 CD ARG A 28 -3.116 16.001 1.626 1.00 0.00 C ATOM 418 NE ARG A 28 -2.456 16.622 2.775 1.00 0.00 N ATOM 419 CZ ARG A 28 -3.101 17.056 3.857 1.00 0.00 C ATOM 420 NH1 ARG A 28 -4.422 16.931 3.951 1.00 0.00 N ATOM 421 NH2 ARG A 28 -2.415 17.593 4.857 1.00 0.00 N ATOM 0 H ARG A 28 -0.172 19.144 -0.392 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.197 17.126 1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.159 17.865 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.368 16.958 -1.106 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.716 15.284 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.403 15.032 0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.928 16.645 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.565 15.058 1.937 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.442 16.729 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.949 16.500 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.908 17.266 4.783 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.400 17.672 4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.902 17.927 5.688 1.00 0.00 H new ATOM 432 N LYS A 29 2.180 16.722 0.111 1.00 0.00 N ATOM 433 CA LYS A 29 3.220 15.807 -0.298 1.00 0.00 C ATOM 434 C LYS A 29 3.508 14.873 0.842 1.00 0.00 C ATOM 435 O LYS A 29 4.402 15.104 1.652 1.00 0.00 O ATOM 436 CB LYS A 29 4.493 16.517 -0.709 1.00 0.00 C ATOM 437 CG LYS A 29 4.295 17.811 -1.482 1.00 0.00 C ATOM 438 CD LYS A 29 3.756 17.653 -2.888 1.00 0.00 C ATOM 439 CE LYS A 29 2.290 17.359 -2.903 1.00 0.00 C ATOM 440 NZ LYS A 29 1.481 18.608 -2.907 1.00 0.00 N ATOM 0 H LYS A 29 2.505 17.627 0.452 1.00 0.00 H new ATOM 0 HA LYS A 29 2.866 15.262 -1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.074 16.734 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.088 15.837 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.614 18.449 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.251 18.333 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.947 18.565 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.291 16.848 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.047 16.764 -3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.030 16.759 -2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.771 18.559 -3.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.002 18.714 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.104 19.425 -3.069 1.00 0.00 H new ATOM 450 N LEU A 30 2.935 13.711 0.722 1.00 0.00 N ATOM 451 CA LEU A 30 3.300 12.612 1.583 1.00 0.00 C ATOM 452 C LEU A 30 4.450 11.944 0.895 1.00 0.00 C ATOM 453 O LEU A 30 5.066 11.005 1.386 1.00 0.00 O ATOM 454 CB LEU A 30 2.121 11.656 1.749 1.00 0.00 C ATOM 455 CG LEU A 30 0.795 12.340 2.083 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.361 11.364 1.958 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.849 12.937 3.480 1.00 0.00 C ATOM 0 H LEU A 30 2.211 13.495 0.037 1.00 0.00 H new ATOM 0 HA LEU A 30 3.572 12.941 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.000 11.085 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.356 10.942 2.538 1.00 0.00 H new ATOM 0 HG LEU A 30 0.632 13.147 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.294 11.872 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.409 10.985 0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.211 10.533 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.101 13.421 3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.035 12.146 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.652 13.672 3.531 1.00 0.00 H new ATOM 468 N GLY A 31 4.742 12.526 -0.263 1.00 0.00 N ATOM 469 CA GLY A 31 5.785 12.078 -1.108 1.00 0.00 C ATOM 470 C GLY A 31 7.136 12.160 -0.463 1.00 0.00 C ATOM 471 O GLY A 31 7.862 11.181 -0.371 1.00 0.00 O ATOM 0 H GLY A 31 4.237 13.335 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.590 11.046 -1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.787 12.674 -2.021 1.00 0.00 H new ATOM 475 N ALA A 32 7.452 13.349 -0.019 1.00 0.00 N ATOM 476 CA ALA A 32 8.733 13.622 0.604 1.00 0.00 C ATOM 477 C ALA A 32 8.550 14.460 1.855 1.00 0.00 C ATOM 478 O ALA A 32 7.726 15.370 1.881 1.00 0.00 O ATOM 479 CB ALA A 32 9.656 14.325 -0.376 1.00 0.00 C ATOM 0 H ALA A 32 6.834 14.158 -0.076 1.00 0.00 H new ATOM 0 HA ALA A 32 9.187 12.674 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.614 14.524 0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.813 13.690 -1.248 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.205 15.267 -0.689 1.00 0.00 H new ATOM 485 N HIS A 33 9.317 14.139 2.890 1.00 0.00 N ATOM 486 CA HIS A 33 9.261 14.880 4.147 1.00 0.00 C ATOM 487 C HIS A 33 10.425 14.509 5.065 1.00 0.00 C ATOM 488 O HIS A 33 10.993 15.383 5.714 1.00 0.00 O ATOM 489 CB HIS A 33 7.911 14.693 4.868 1.00 0.00 C ATOM 490 CG HIS A 33 7.505 13.270 5.134 1.00 0.00 C ATOM 491 ND1 HIS A 33 7.268 12.348 4.139 1.00 0.00 N ATOM 492 CD2 HIS A 33 7.252 12.634 6.298 1.00 0.00 C ATOM 493 CE1 HIS A 33 6.882 11.207 4.682 1.00 0.00 C ATOM 494 NE2 HIS A 33 6.862 11.353 5.994 1.00 0.00 N ATOM 0 H HIS A 33 9.987 13.369 2.885 1.00 0.00 H new ATOM 0 HA HIS A 33 9.353 15.937 3.895 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.952 15.224 5.819 1.00 0.00 H new ATOM 0 HB3 HIS A 33 7.132 15.168 4.271 1.00 0.00 H new ATOM 0 HD1 HIS A 33 7.374 12.519 3.139 1.00 0.00 H new ATOM 0 HD2 HIS A 33 7.340 13.056 7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.626 10.307 4.143 1.00 0.00 H new ATOM 502 N ALA A 34 10.834 13.238 5.052 1.00 0.00 N ATOM 503 CA ALA A 34 11.996 12.802 5.831 1.00 0.00 C ATOM 504 C ALA A 34 12.348 11.345 5.537 1.00 0.00 C ATOM 505 O ALA A 34 11.887 10.780 4.544 1.00 0.00 O ATOM 506 CB ALA A 34 11.748 12.986 7.320 1.00 0.00 C ATOM 0 H ALA A 34 10.382 12.498 4.515 1.00 0.00 H new ATOM 0 HA ALA A 34 12.840 13.425 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.624 12.656 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.560 14.039 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.882 12.396 7.620 1.00 0.00 H new ATOM 512 N ASN A 35 13.159 10.748 6.412 1.00 0.00 N ATOM 513 CA ASN A 35 13.586 9.354 6.263 1.00 0.00 C ATOM 514 C ASN A 35 12.421 8.393 6.457 1.00 0.00 C ATOM 515 O ASN A 35 11.353 8.790 6.934 1.00 0.00 O ATOM 516 CB ASN A 35 14.703 9.007 7.256 1.00 0.00 C ATOM 517 CG ASN A 35 16.063 9.563 6.865 1.00 0.00 C ATOM 518 OD1 ASN A 35 16.101 10.423 5.860 1.00 0.00 O flip ATOM 519 ND2 ASN A 35 17.080 9.218 7.470 1.00 0.00 N flip ATOM 0 H ASN A 35 13.536 11.212 7.238 1.00 0.00 H new ATOM 0 HA ASN A 35 13.967 9.245 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 35 14.433 9.389 8.241 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.775 7.923 7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 35 17.014 8.553 8.240 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.987 9.598 7.200 1.00 0.00 H new ATOM 525 N LEU A 36 12.638 7.122 6.115 1.00 0.00 N ATOM 526 CA LEU A 36 11.633 6.105 6.253 1.00 0.00 C ATOM 527 C LEU A 36 12.312 4.773 6.117 1.00 0.00 C ATOM 528 O LEU A 36 13.285 4.661 5.371 1.00 0.00 O ATOM 529 CB LEU A 36 10.530 6.276 5.198 1.00 0.00 C ATOM 530 CG LEU A 36 11.013 6.313 3.750 1.00 0.00 C ATOM 531 CD1 LEU A 36 11.244 4.903 3.221 1.00 0.00 C ATOM 532 CD2 LEU A 36 10.024 7.074 2.870 1.00 0.00 C ATOM 0 H LEU A 36 13.522 6.784 5.735 1.00 0.00 H new ATOM 0 HA LEU A 36 11.149 6.181 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.817 5.458 5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.990 7.199 5.407 1.00 0.00 H new ATOM 0 HG LEU A 36 11.966 6.842 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.588 4.954 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.998 4.405 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.312 4.340 3.266 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.388 7.088 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.052 6.581 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.925 8.097 3.234 1.00 0.00 H new ATOM 543 N LYS A 37 11.832 3.754 6.799 1.00 0.00 N ATOM 544 CA LYS A 37 12.430 2.481 6.595 1.00 0.00 C ATOM 545 C LYS A 37 11.375 1.424 6.357 1.00 0.00 C ATOM 546 O LYS A 37 10.252 1.566 6.838 1.00 0.00 O ATOM 547 CB LYS A 37 13.465 2.101 7.679 1.00 0.00 C ATOM 548 CG LYS A 37 13.005 2.129 9.122 1.00 0.00 C ATOM 549 CD LYS A 37 11.871 1.172 9.400 1.00 0.00 C ATOM 550 CE LYS A 37 11.759 0.847 10.883 1.00 0.00 C ATOM 551 NZ LYS A 37 12.951 0.112 11.382 1.00 0.00 N ATOM 0 H LYS A 37 11.063 3.790 7.468 1.00 0.00 H new ATOM 0 HA LYS A 37 13.025 2.546 5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.828 1.097 7.461 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.316 2.775 7.584 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.846 1.884 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.690 3.141 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.934 1.607 9.051 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.025 0.252 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.639 1.771 11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.865 0.249 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.693 -0.434 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.294 -0.535 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.701 0.790 11.623 1.00 0.00 H new ATOM 561 N LEU A 38 11.636 0.501 5.432 1.00 0.00 N ATOM 562 CA LEU A 38 10.598 -0.383 5.001 1.00 0.00 C ATOM 563 C LEU A 38 10.977 -1.810 5.260 1.00 0.00 C ATOM 564 O LEU A 38 12.113 -2.183 5.051 1.00 0.00 O ATOM 565 CB LEU A 38 10.355 -0.166 3.524 1.00 0.00 C ATOM 566 CG LEU A 38 9.135 0.697 3.192 1.00 0.00 C ATOM 567 CD1 LEU A 38 9.390 2.158 3.509 1.00 0.00 C ATOM 568 CD2 LEU A 38 8.734 0.520 1.746 1.00 0.00 C ATOM 0 H LEU A 38 12.542 0.361 4.985 1.00 0.00 H new ATOM 0 HA LEU A 38 9.687 -0.171 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.240 0.299 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.237 -1.137 3.043 1.00 0.00 H new ATOM 0 HG LEU A 38 8.308 0.363 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.505 2.744 3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.612 2.267 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.237 2.515 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.865 1.142 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.561 0.816 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.486 -0.526 1.562 1.00 0.00 H new ATOM 579 N THR A 39 10.049 -2.572 5.781 1.00 0.00 N ATOM 580 CA THR A 39 10.280 -3.952 6.147 1.00 0.00 C ATOM 581 C THR A 39 9.000 -4.735 5.767 1.00 0.00 C ATOM 582 O THR A 39 8.017 -4.080 5.412 1.00 0.00 O ATOM 583 CB THR A 39 10.547 -4.007 7.656 1.00 0.00 C ATOM 584 OG1 THR A 39 11.603 -3.102 8.010 1.00 0.00 O ATOM 585 CG2 THR A 39 10.905 -5.416 8.110 1.00 0.00 C ATOM 0 H THR A 39 9.099 -2.250 5.966 1.00 0.00 H new ATOM 0 HA THR A 39 11.138 -4.387 5.634 1.00 0.00 H new ATOM 0 HB THR A 39 9.629 -3.709 8.162 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.196 -2.974 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.087 -5.417 9.185 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.081 -6.092 7.881 1.00 0.00 H new ATOM 0 HG23 THR A 39 11.803 -5.749 7.589 1.00 0.00 H new ATOM 593 N ILE A 40 8.940 -6.081 5.829 1.00 0.00 N ATOM 594 CA ILE A 40 7.708 -6.783 5.521 1.00 0.00 C ATOM 595 C ILE A 40 7.845 -8.214 6.041 1.00 0.00 C ATOM 596 O ILE A 40 8.767 -8.928 5.648 1.00 0.00 O ATOM 597 CB ILE A 40 7.370 -6.883 3.988 1.00 0.00 C ATOM 598 CG1 ILE A 40 8.298 -7.843 3.266 1.00 0.00 C ATOM 599 CG2 ILE A 40 7.312 -5.551 3.253 1.00 0.00 C ATOM 600 CD1 ILE A 40 9.742 -7.406 3.207 1.00 0.00 C ATOM 0 H ILE A 40 9.723 -6.682 6.086 1.00 0.00 H new ATOM 0 HA ILE A 40 6.906 -6.212 5.989 1.00 0.00 H new ATOM 0 HB ILE A 40 6.354 -7.277 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.247 -8.814 3.758 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.933 -7.982 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.073 -5.724 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.543 -4.921 3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.278 -5.052 3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.327 -8.155 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.812 -6.451 2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.131 -7.296 4.219 1.00 0.00 H new ATOM 611 N THR A 41 7.117 -8.579 7.067 1.00 0.00 N ATOM 612 CA THR A 41 7.354 -9.910 7.607 1.00 0.00 C ATOM 613 C THR A 41 6.281 -10.367 8.615 1.00 0.00 C ATOM 614 O THR A 41 5.991 -9.668 9.586 1.00 0.00 O ATOM 615 CB THR A 41 8.803 -9.973 8.171 1.00 0.00 C ATOM 616 OG1 THR A 41 9.212 -11.324 8.412 1.00 0.00 O ATOM 617 CG2 THR A 41 8.991 -9.153 9.423 1.00 0.00 C ATOM 0 H THR A 41 6.398 -8.021 7.527 1.00 0.00 H new ATOM 0 HA THR A 41 7.263 -10.634 6.797 1.00 0.00 H new ATOM 0 HB THR A 41 9.436 -9.536 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 41 10.150 -11.433 8.151 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.023 -9.241 9.764 1.00 0.00 H new ATOM 0 HG22 THR A 41 8.767 -8.108 9.210 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.320 -9.517 10.201 1.00 0.00 H new ATOM 625 N GLN A 42 5.684 -11.554 8.369 1.00 0.00 N ATOM 626 CA GLN A 42 4.690 -12.126 9.270 1.00 0.00 C ATOM 627 C GLN A 42 4.276 -13.516 8.814 1.00 0.00 C ATOM 628 O GLN A 42 4.663 -14.521 9.408 1.00 0.00 O ATOM 629 CB GLN A 42 3.428 -11.266 9.359 1.00 0.00 C ATOM 630 CG GLN A 42 2.304 -11.981 10.083 1.00 0.00 C ATOM 631 CD GLN A 42 2.466 -11.987 11.593 1.00 0.00 C ATOM 632 OE1 GLN A 42 3.439 -11.243 12.099 1.00 0.00 O flip ATOM 633 NE2 GLN A 42 1.702 -12.635 12.300 1.00 0.00 N flip ATOM 0 H GLN A 42 5.882 -12.127 7.549 1.00 0.00 H new ATOM 0 HA GLN A 42 5.164 -12.172 10.250 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.659 -10.335 9.877 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.100 -10.998 8.355 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.357 -11.505 9.829 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.249 -13.010 9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.965 -13.196 11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.804 -12.613 13.315 1.00 0.00 H new ATOM 640 N GLU A 43 3.436 -13.551 7.790 1.00 0.00 N ATOM 641 CA GLU A 43 2.896 -14.785 7.294 1.00 0.00 C ATOM 642 C GLU A 43 3.555 -15.075 5.975 1.00 0.00 C ATOM 643 O GLU A 43 4.062 -14.132 5.361 1.00 0.00 O ATOM 644 CB GLU A 43 1.379 -14.700 7.116 1.00 0.00 C ATOM 645 CG GLU A 43 0.631 -14.263 8.363 1.00 0.00 C ATOM 646 CD GLU A 43 0.615 -15.323 9.447 1.00 0.00 C ATOM 647 OE1 GLU A 43 1.691 -15.679 9.965 1.00 0.00 O ATOM 648 OE2 GLU A 43 -0.483 -15.813 9.782 1.00 0.00 O ATOM 0 H GLU A 43 3.117 -12.722 7.289 1.00 0.00 H new ATOM 0 HA GLU A 43 3.091 -15.583 8.010 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.157 -14.001 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.005 -15.676 6.805 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.090 -13.356 8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.395 -14.010 8.095 1.00 0.00 H new ATOM 653 N GLY A 44 3.419 -16.267 5.401 1.00 0.00 N ATOM 654 CA GLY A 44 3.938 -16.311 4.077 1.00 0.00 C ATOM 655 C GLY A 44 2.872 -16.369 3.020 1.00 0.00 C ATOM 656 O GLY A 44 2.961 -17.166 2.089 1.00 0.00 O ATOM 0 H GLY A 44 3.002 -17.113 5.789 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.559 -15.431 3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.586 -17.182 3.977 1.00 0.00 H new ATOM 660 N ASN A 45 2.370 -15.171 2.877 1.00 0.00 N ATOM 661 CA ASN A 45 1.845 -14.590 1.662 1.00 0.00 C ATOM 662 C ASN A 45 1.497 -13.202 2.099 1.00 0.00 C ATOM 663 O ASN A 45 0.379 -12.934 2.528 1.00 0.00 O ATOM 664 CB ASN A 45 0.600 -15.302 1.084 1.00 0.00 C ATOM 665 CG ASN A 45 -0.516 -15.592 2.100 1.00 0.00 C ATOM 666 OD1 ASN A 45 -0.171 -15.836 3.365 1.00 0.00 O flip ATOM 667 ND2 ASN A 45 -1.687 -15.657 1.728 1.00 0.00 N flip ATOM 0 H ASN A 45 2.312 -14.525 3.664 1.00 0.00 H new ATOM 0 HA ASN A 45 2.568 -14.660 0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.189 -14.688 0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.915 -16.244 0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.924 -15.466 0.755 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.421 -15.902 2.393 1.00 0.00 H new ATOM 673 N LYS A 46 2.496 -12.367 2.127 1.00 0.00 N ATOM 674 CA LYS A 46 2.369 -11.079 2.763 1.00 0.00 C ATOM 675 C LYS A 46 3.607 -10.276 2.518 1.00 0.00 C ATOM 676 O LYS A 46 4.673 -10.819 2.238 1.00 0.00 O ATOM 677 CB LYS A 46 2.159 -11.208 4.284 1.00 0.00 C ATOM 678 CG LYS A 46 0.701 -11.189 4.726 1.00 0.00 C ATOM 679 CD LYS A 46 0.567 -11.455 6.212 1.00 0.00 C ATOM 680 CE LYS A 46 0.916 -10.230 7.036 1.00 0.00 C ATOM 681 NZ LYS A 46 -0.216 -9.268 7.096 1.00 0.00 N ATOM 0 H LYS A 46 3.411 -12.552 1.717 1.00 0.00 H new ATOM 0 HA LYS A 46 1.496 -10.586 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.616 -12.138 4.623 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.686 -10.394 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.260 -10.221 4.487 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.141 -11.940 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.454 -11.765 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.220 -12.281 6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.188 -10.536 8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.789 -9.739 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.106 -8.654 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.222 -8.685 6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.112 -9.791 7.167 1.00 0.00 H new ATOM 691 N PHE A 47 3.493 -9.017 2.803 1.00 0.00 N ATOM 692 CA PHE A 47 4.612 -8.118 2.779 1.00 0.00 C ATOM 693 C PHE A 47 4.248 -7.011 3.725 1.00 0.00 C ATOM 694 O PHE A 47 3.469 -6.149 3.377 1.00 0.00 O ATOM 695 CB PHE A 47 4.796 -7.600 1.343 1.00 0.00 C ATOM 696 CG PHE A 47 3.624 -7.976 0.476 1.00 0.00 C ATOM 697 CD1 PHE A 47 2.392 -7.368 0.653 1.00 0.00 C ATOM 698 CD2 PHE A 47 3.728 -9.018 -0.432 1.00 0.00 C ATOM 699 CE1 PHE A 47 1.290 -7.788 -0.056 1.00 0.00 C ATOM 700 CE2 PHE A 47 2.630 -9.433 -1.157 1.00 0.00 C ATOM 701 CZ PHE A 47 1.407 -8.821 -0.965 1.00 0.00 C ATOM 0 H PHE A 47 2.611 -8.576 3.063 1.00 0.00 H new ATOM 0 HA PHE A 47 5.551 -8.584 3.078 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.909 -6.516 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.712 -8.011 0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.295 -6.554 1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.679 -9.510 -0.574 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.334 -7.310 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.727 -10.235 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.544 -9.150 -1.525 1.00 0.00 H new ATOM 710 N THR A 48 4.726 -7.086 4.952 1.00 0.00 N ATOM 711 CA THR A 48 4.201 -6.203 5.973 1.00 0.00 C ATOM 712 C THR A 48 5.117 -6.029 7.133 1.00 0.00 C ATOM 713 O THR A 48 5.042 -6.829 8.049 1.00 0.00 O ATOM 714 CB THR A 48 2.886 -6.779 6.556 1.00 0.00 C ATOM 715 OG1 THR A 48 1.847 -6.688 5.621 1.00 0.00 O ATOM 716 CG2 THR A 48 2.485 -6.043 7.824 1.00 0.00 C ATOM 0 H THR A 48 5.455 -7.729 5.260 1.00 0.00 H new ATOM 0 HA THR A 48 4.058 -5.245 5.473 1.00 0.00 H new ATOM 0 HB THR A 48 3.065 -7.827 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.130 -6.124 4.871 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.559 -6.466 8.213 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.273 -6.147 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.335 -4.987 7.600 1.00 0.00 H new ATOM 724 N VAL A 49 5.805 -4.889 7.180 1.00 0.00 N ATOM 725 CA VAL A 49 6.443 -4.416 8.394 1.00 0.00 C ATOM 726 C VAL A 49 7.071 -3.052 8.128 1.00 0.00 C ATOM 727 O VAL A 49 8.147 -3.050 7.635 1.00 0.00 O ATOM 728 CB VAL A 49 7.627 -5.301 8.878 1.00 0.00 C ATOM 729 CG1 VAL A 49 8.401 -4.586 9.971 1.00 0.00 C ATOM 730 CG2 VAL A 49 7.242 -6.653 9.375 1.00 0.00 C ATOM 0 H VAL A 49 5.932 -4.273 6.377 1.00 0.00 H new ATOM 0 HA VAL A 49 5.655 -4.415 9.147 1.00 0.00 H new ATOM 0 HB VAL A 49 8.237 -5.461 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.227 -5.215 10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.793 -3.646 9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.739 -4.384 10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.135 -7.193 9.689 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.564 -6.550 10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.745 -7.206 8.578 1.00 0.00 H new ATOM 740 N LYS A 50 6.632 -1.916 8.584 1.00 0.00 N ATOM 741 CA LYS A 50 7.575 -0.810 8.438 1.00 0.00 C ATOM 742 C LYS A 50 7.174 0.409 9.210 1.00 0.00 C ATOM 743 O LYS A 50 6.459 1.260 8.706 1.00 0.00 O ATOM 744 CB LYS A 50 7.805 -0.463 6.966 1.00 0.00 C ATOM 745 CG LYS A 50 6.619 -0.736 6.077 1.00 0.00 C ATOM 746 CD LYS A 50 7.034 -1.091 4.662 1.00 0.00 C ATOM 747 CE LYS A 50 5.851 -1.522 3.812 1.00 0.00 C ATOM 748 NZ LYS A 50 5.068 -0.364 3.298 1.00 0.00 N ATOM 0 H LYS A 50 5.730 -1.722 9.018 1.00 0.00 H new ATOM 0 HA LYS A 50 8.515 -1.159 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.068 0.592 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.659 -1.032 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.032 -1.553 6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.974 0.142 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.518 -0.231 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.771 -1.894 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.209 -2.117 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.198 -2.165 4.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.083 -0.655 3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.092 0.408 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.482 -0.035 2.402 1.00 0.00 H new ATOM 758 N GLU A 51 7.777 0.604 10.353 1.00 0.00 N ATOM 759 CA GLU A 51 7.501 1.801 11.100 1.00 0.00 C ATOM 760 C GLU A 51 8.705 2.736 11.073 1.00 0.00 C ATOM 761 O GLU A 51 9.428 2.834 12.066 1.00 0.00 O ATOM 762 CB GLU A 51 7.203 1.405 12.556 1.00 0.00 C ATOM 763 CG GLU A 51 6.295 0.187 12.716 1.00 0.00 C ATOM 764 CD GLU A 51 7.078 -1.110 12.794 1.00 0.00 C ATOM 765 OE1 GLU A 51 8.311 -1.076 12.604 1.00 0.00 O ATOM 766 OE2 GLU A 51 6.465 -2.167 13.049 1.00 0.00 O ATOM 0 H GLU A 51 8.448 -0.035 10.779 1.00 0.00 H new ATOM 0 HA GLU A 51 6.649 2.317 10.657 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.147 1.206 13.064 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.742 2.253 13.061 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.694 0.301 13.618 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.602 0.140 11.876 1.00 0.00 H new ATOM 771 N SER A 52 8.744 3.620 10.073 1.00 0.00 N ATOM 772 CA SER A 52 9.643 4.759 10.107 1.00 0.00 C ATOM 773 C SER A 52 9.317 5.751 9.005 1.00 0.00 C ATOM 774 O SER A 52 9.359 5.412 7.826 1.00 0.00 O ATOM 775 CB SER A 52 11.088 4.300 10.083 1.00 0.00 C ATOM 776 OG SER A 52 11.848 4.888 9.051 1.00 0.00 O ATOM 0 H SER A 52 8.163 3.563 9.236 1.00 0.00 H new ATOM 0 HA SER A 52 9.497 5.292 11.047 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.551 4.533 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.115 3.216 9.971 1.00 0.00 H new ATOM 0 HG SER A 52 12.678 5.254 9.423 1.00 0.00 H new ATOM 781 N SER A 53 8.982 6.971 9.417 1.00 0.00 N ATOM 782 CA SER A 53 8.739 8.085 8.511 1.00 0.00 C ATOM 783 C SER A 53 8.673 9.394 9.303 1.00 0.00 C ATOM 784 O SER A 53 7.625 9.748 9.827 1.00 0.00 O ATOM 785 CB SER A 53 7.434 7.894 7.719 1.00 0.00 C ATOM 786 OG SER A 53 7.568 6.909 6.705 1.00 0.00 O ATOM 0 H SER A 53 8.871 7.214 10.401 1.00 0.00 H new ATOM 0 HA SER A 53 9.564 8.124 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.634 7.606 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.142 8.842 7.268 1.00 0.00 H new ATOM 0 HG SER A 53 8.384 6.389 6.860 1.00 0.00 H new ATOM 791 N ASN A 54 9.768 10.151 9.281 1.00 0.00 N ATOM 792 CA ASN A 54 9.855 11.471 9.937 1.00 0.00 C ATOM 793 C ASN A 54 9.600 11.415 11.456 1.00 0.00 C ATOM 794 O ASN A 54 10.521 11.613 12.249 1.00 0.00 O ATOM 795 CB ASN A 54 8.893 12.470 9.278 1.00 0.00 C ATOM 796 CG ASN A 54 9.014 13.878 9.846 1.00 0.00 C ATOM 797 OD1 ASN A 54 8.575 14.162 10.960 1.00 0.00 O ATOM 798 ND2 ASN A 54 9.619 14.774 9.082 1.00 0.00 N ATOM 0 H ASN A 54 10.628 9.873 8.808 1.00 0.00 H new ATOM 0 HA ASN A 54 10.882 11.809 9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.087 12.499 8.206 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.869 12.119 9.407 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.733 15.732 9.412 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.972 14.506 8.163 1.00 0.00 H new ATOM 804 N PHE A 55 8.351 11.186 11.858 1.00 0.00 N ATOM 805 CA PHE A 55 7.982 11.181 13.274 1.00 0.00 C ATOM 806 C PHE A 55 6.835 10.207 13.535 1.00 0.00 C ATOM 807 O PHE A 55 6.850 9.475 14.522 1.00 0.00 O ATOM 808 CB PHE A 55 7.594 12.587 13.743 1.00 0.00 C ATOM 809 CG PHE A 55 7.322 12.672 15.219 1.00 0.00 C ATOM 810 CD1 PHE A 55 8.199 12.106 16.134 1.00 0.00 C ATOM 811 CD2 PHE A 55 6.189 13.311 15.691 1.00 0.00 C ATOM 812 CE1 PHE A 55 7.948 12.178 17.491 1.00 0.00 C ATOM 813 CE2 PHE A 55 5.934 13.386 17.047 1.00 0.00 C ATOM 814 CZ PHE A 55 6.814 12.818 17.947 1.00 0.00 C ATOM 0 H PHE A 55 7.575 11.001 11.222 1.00 0.00 H new ATOM 0 HA PHE A 55 8.853 10.853 13.842 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.395 13.281 13.489 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.707 12.911 13.199 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.088 11.604 15.781 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.496 13.756 14.992 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.638 11.734 18.193 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.047 13.889 17.403 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.615 12.875 19.007 1.00 0.00 H new ATOM 823 N ARG A 56 5.932 10.090 12.573 1.00 0.00 N ATOM 824 CA ARG A 56 4.881 9.085 12.638 1.00 0.00 C ATOM 825 C ARG A 56 5.330 7.930 11.773 1.00 0.00 C ATOM 826 O ARG A 56 5.730 8.136 10.632 1.00 0.00 O ATOM 827 CB ARG A 56 3.558 9.650 12.116 1.00 0.00 C ATOM 828 CG ARG A 56 2.396 8.678 12.224 1.00 0.00 C ATOM 829 CD ARG A 56 1.203 9.138 11.396 1.00 0.00 C ATOM 830 NE ARG A 56 1.425 8.974 9.958 1.00 0.00 N ATOM 831 CZ ARG A 56 1.468 7.794 9.333 1.00 0.00 C ATOM 832 NH1 ARG A 56 1.218 6.673 9.995 1.00 0.00 N ATOM 833 NH2 ARG A 56 1.734 7.731 8.037 1.00 0.00 N ATOM 0 H ARG A 56 5.906 10.677 11.739 1.00 0.00 H new ATOM 0 HA ARG A 56 4.715 8.768 13.667 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.315 10.556 12.671 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.683 9.939 11.073 1.00 0.00 H new ATOM 0 HG2 ARG A 56 2.714 7.691 11.888 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.099 8.579 13.268 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.319 8.572 11.691 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.997 10.186 11.612 1.00 0.00 H new ATOM 0 HE ARG A 56 1.555 9.816 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.991 6.707 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.253 5.776 9.511 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.908 8.587 7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.765 6.827 7.566 1.00 0.00 H new ATOM 844 N ASN A 57 5.469 6.759 12.360 1.00 0.00 N ATOM 845 CA ASN A 57 6.169 5.706 11.684 1.00 0.00 C ATOM 846 C ASN A 57 5.626 4.377 12.029 1.00 0.00 C ATOM 847 O ASN A 57 5.883 3.825 13.093 1.00 0.00 O ATOM 848 CB ASN A 57 7.664 5.758 11.989 1.00 0.00 C ATOM 849 CG ASN A 57 8.001 6.113 13.430 1.00 0.00 C ATOM 850 OD1 ASN A 57 8.702 7.221 13.610 1.00 0.00 O flip ATOM 851 ND2 ASN A 57 7.662 5.394 14.366 1.00 0.00 N flip ATOM 0 H ASN A 57 5.112 6.522 13.286 1.00 0.00 H new ATOM 0 HA ASN A 57 6.023 5.861 10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.104 4.789 11.754 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.132 6.489 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.122 4.547 14.189 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.921 5.644 15.321 1.00 0.00 H new ATOM 857 N ILE A 58 4.891 3.864 11.082 1.00 0.00 N ATOM 858 CA ILE A 58 4.387 2.549 11.130 1.00 0.00 C ATOM 859 C ILE A 58 3.676 2.284 9.844 1.00 0.00 C ATOM 860 O ILE A 58 2.882 3.111 9.388 1.00 0.00 O ATOM 861 CB ILE A 58 3.480 2.329 12.323 1.00 0.00 C ATOM 862 CG1 ILE A 58 2.751 0.985 12.172 1.00 0.00 C ATOM 863 CG2 ILE A 58 2.537 3.515 12.487 1.00 0.00 C ATOM 864 CD1 ILE A 58 2.007 0.566 13.415 1.00 0.00 C ATOM 0 H ILE A 58 4.627 4.375 10.239 1.00 0.00 H new ATOM 0 HA ILE A 58 5.212 1.847 11.254 1.00 0.00 H new ATOM 0 HB ILE A 58 4.064 2.272 13.242 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.048 1.052 11.342 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.476 0.213 11.914 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.889 3.348 13.347 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.119 4.424 12.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.928 3.623 11.589 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.515 -0.391 13.240 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.709 0.467 14.243 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.258 1.319 13.662 1.00 0.00 H new ATOM 875 N ASP A 59 3.928 1.161 9.260 1.00 0.00 N ATOM 876 CA ASP A 59 3.236 0.824 8.070 1.00 0.00 C ATOM 877 C ASP A 59 3.147 -0.672 7.999 1.00 0.00 C ATOM 878 O ASP A 59 4.026 -1.348 7.464 1.00 0.00 O ATOM 879 CB ASP A 59 4.013 1.396 6.881 1.00 0.00 C ATOM 880 CG ASP A 59 3.330 1.200 5.544 1.00 0.00 C ATOM 881 OD1 ASP A 59 2.214 0.654 5.507 1.00 0.00 O ATOM 882 OD2 ASP A 59 3.930 1.595 4.516 1.00 0.00 O ATOM 0 H ASP A 59 4.602 0.469 9.586 1.00 0.00 H new ATOM 0 HA ASP A 59 2.228 1.239 8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.171 2.462 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.997 0.929 6.846 1.00 0.00 H new ATOM 886 N VAL A 60 2.064 -1.186 8.531 1.00 0.00 N ATOM 887 CA VAL A 60 1.837 -2.611 8.523 1.00 0.00 C ATOM 888 C VAL A 60 0.344 -2.949 8.353 1.00 0.00 C ATOM 889 O VAL A 60 -0.354 -3.251 9.317 1.00 0.00 O ATOM 890 CB VAL A 60 2.374 -3.271 9.820 1.00 0.00 C ATOM 891 CG1 VAL A 60 3.874 -3.100 9.950 1.00 0.00 C ATOM 892 CG2 VAL A 60 1.704 -2.723 11.077 1.00 0.00 C ATOM 0 H VAL A 60 1.326 -0.639 8.975 1.00 0.00 H new ATOM 0 HA VAL A 60 2.382 -3.012 7.668 1.00 0.00 H new ATOM 0 HB VAL A 60 2.132 -4.330 9.733 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.216 -3.574 10.870 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.368 -3.564 9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.118 -2.038 9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.117 -3.219 11.955 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.885 -1.650 11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.631 -2.907 11.027 1.00 0.00 H new ATOM 902 N VAL A 61 -0.027 -3.213 7.108 1.00 0.00 N ATOM 903 CA VAL A 61 -1.323 -3.807 6.752 1.00 0.00 C ATOM 904 C VAL A 61 -1.224 -4.266 5.308 1.00 0.00 C ATOM 905 O VAL A 61 -1.410 -3.476 4.398 1.00 0.00 O ATOM 906 CB VAL A 61 -2.528 -2.806 6.839 1.00 0.00 C ATOM 907 CG1 VAL A 61 -3.801 -3.449 6.304 1.00 0.00 C ATOM 908 CG2 VAL A 61 -2.786 -2.304 8.250 1.00 0.00 C ATOM 0 H VAL A 61 0.566 -3.021 6.301 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.518 -4.611 7.462 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.249 -1.949 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.624 -2.738 6.373 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.654 -3.734 5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.036 -4.335 6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.631 -1.616 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.011 -3.149 8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.901 -1.787 8.620 1.00 0.00 H new ATOM 918 N PHE A 62 -0.944 -5.535 5.087 1.00 0.00 N ATOM 919 CA PHE A 62 -0.798 -6.046 3.726 1.00 0.00 C ATOM 920 C PHE A 62 -1.086 -7.538 3.718 1.00 0.00 C ATOM 921 O PHE A 62 -0.969 -8.210 4.742 1.00 0.00 O ATOM 922 CB PHE A 62 0.599 -5.792 3.121 1.00 0.00 C ATOM 923 CG PHE A 62 1.215 -4.431 3.378 1.00 0.00 C ATOM 924 CD1 PHE A 62 1.693 -4.105 4.637 1.00 0.00 C ATOM 925 CD2 PHE A 62 1.344 -3.501 2.363 1.00 0.00 C ATOM 926 CE1 PHE A 62 2.280 -2.895 4.892 1.00 0.00 C ATOM 927 CE2 PHE A 62 1.933 -2.274 2.607 1.00 0.00 C ATOM 928 CZ PHE A 62 2.401 -1.971 3.876 1.00 0.00 C ATOM 0 H PHE A 62 -0.813 -6.231 5.821 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.512 -5.504 3.106 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.280 -6.552 3.506 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.535 -5.938 2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 62 1.600 -4.824 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.982 -3.735 1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.646 -2.666 5.882 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.028 -1.552 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.860 -1.012 4.069 1.00 0.00 H new ATOM 937 N GLU A 63 -1.589 -8.010 2.596 1.00 0.00 N ATOM 938 CA GLU A 63 -2.066 -9.363 2.453 1.00 0.00 C ATOM 939 C GLU A 63 -1.878 -9.738 1.015 1.00 0.00 C ATOM 940 O GLU A 63 -1.694 -8.850 0.182 1.00 0.00 O ATOM 941 CB GLU A 63 -3.549 -9.417 2.852 1.00 0.00 C ATOM 942 CG GLU A 63 -4.125 -10.820 2.980 1.00 0.00 C ATOM 943 CD GLU A 63 -5.510 -10.828 3.604 1.00 0.00 C ATOM 944 OE1 GLU A 63 -5.967 -9.765 4.073 1.00 0.00 O ATOM 945 OE2 GLU A 63 -6.144 -11.902 3.642 1.00 0.00 O ATOM 0 H GLU A 63 -1.678 -7.453 1.746 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.524 -10.059 3.094 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.674 -8.900 3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.130 -8.867 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.172 -11.281 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.454 -11.430 3.585 1.00 0.00 H new ATOM 950 N LEU A 64 -1.979 -11.021 0.708 1.00 0.00 N ATOM 951 CA LEU A 64 -1.925 -11.466 -0.672 1.00 0.00 C ATOM 952 C LEU A 64 -3.005 -10.714 -1.461 1.00 0.00 C ATOM 953 O LEU A 64 -2.819 -10.380 -2.623 1.00 0.00 O ATOM 954 CB LEU A 64 -2.121 -12.978 -0.742 1.00 0.00 C ATOM 955 CG LEU A 64 -1.622 -13.665 -2.026 1.00 0.00 C ATOM 956 CD1 LEU A 64 -1.508 -15.166 -1.811 1.00 0.00 C ATOM 957 CD2 LEU A 64 -2.537 -13.387 -3.209 1.00 0.00 C ATOM 0 H LEU A 64 -2.098 -11.768 1.392 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.951 -11.249 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.612 -13.430 0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.184 -13.192 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.640 -13.252 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.154 -15.639 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.803 -15.365 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.485 -15.571 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.149 -13.890 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.538 -13.758 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.580 -12.313 -3.391 1.00 0.00 H new ATOM 968 N GLY A 65 -3.965 -10.204 -0.697 1.00 0.00 N ATOM 969 CA GLY A 65 -4.870 -9.178 -1.173 1.00 0.00 C ATOM 970 C GLY A 65 -5.481 -8.446 0.006 1.00 0.00 C ATOM 971 O GLY A 65 -6.389 -8.953 0.664 1.00 0.00 O ATOM 0 H GLY A 65 -4.133 -10.493 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.334 -8.475 -1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.655 -9.626 -1.781 1.00 0.00 H new ATOM 975 N VAL A 66 -4.827 -7.360 0.388 1.00 0.00 N ATOM 976 CA VAL A 66 -5.132 -6.630 1.612 1.00 0.00 C ATOM 977 C VAL A 66 -6.038 -5.456 1.321 1.00 0.00 C ATOM 978 O VAL A 66 -6.286 -5.187 0.173 1.00 0.00 O ATOM 979 CB VAL A 66 -3.847 -6.065 2.250 1.00 0.00 C ATOM 980 CG1 VAL A 66 -3.418 -4.740 1.600 1.00 0.00 C ATOM 981 CG2 VAL A 66 -4.044 -5.917 3.749 1.00 0.00 C ATOM 0 H VAL A 66 -4.060 -6.955 -0.149 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.617 -7.333 2.289 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.035 -6.770 2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.509 -4.377 2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.229 -4.900 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.211 -4.002 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.135 -5.518 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.873 -5.236 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.266 -6.891 4.185 1.00 0.00 H new ATOM 991 N ASP A 67 -6.474 -4.744 2.360 1.00 0.00 N ATOM 992 CA ASP A 67 -7.062 -3.423 2.165 1.00 0.00 C ATOM 993 C ASP A 67 -6.693 -2.466 3.291 1.00 0.00 C ATOM 994 O ASP A 67 -6.813 -2.769 4.477 1.00 0.00 O ATOM 995 CB ASP A 67 -8.582 -3.403 1.930 1.00 0.00 C ATOM 996 CG ASP A 67 -9.412 -3.826 3.129 1.00 0.00 C ATOM 997 OD1 ASP A 67 -8.896 -4.543 4.010 1.00 0.00 O ATOM 998 OD2 ASP A 67 -10.610 -3.472 3.174 1.00 0.00 O ATOM 0 H ASP A 67 -6.432 -5.055 3.330 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.617 -3.080 1.231 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.878 -2.396 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.816 -4.060 1.093 1.00 0.00 H new ATOM 1002 N PHE A 68 -6.322 -1.273 2.868 1.00 0.00 N ATOM 1003 CA PHE A 68 -6.046 -0.157 3.738 1.00 0.00 C ATOM 1004 C PHE A 68 -7.216 0.769 3.682 1.00 0.00 C ATOM 1005 O PHE A 68 -7.792 0.943 2.610 1.00 0.00 O ATOM 1006 CB PHE A 68 -4.880 0.689 3.233 1.00 0.00 C ATOM 1007 CG PHE A 68 -3.504 0.103 3.338 1.00 0.00 C ATOM 1008 CD1 PHE A 68 -3.030 -0.778 2.381 1.00 0.00 C ATOM 1009 CD2 PHE A 68 -2.654 0.505 4.355 1.00 0.00 C ATOM 1010 CE1 PHE A 68 -1.739 -1.258 2.447 1.00 0.00 C ATOM 1011 CE2 PHE A 68 -1.359 0.036 4.420 1.00 0.00 C ATOM 1012 CZ PHE A 68 -0.902 -0.846 3.466 1.00 0.00 C ATOM 0 H PHE A 68 -6.202 -1.052 1.879 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.831 -0.564 4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.066 0.927 2.186 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.887 1.632 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.677 -1.092 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.010 1.194 5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.383 -1.955 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.705 0.359 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.112 -1.216 3.515 1.00 0.00 H new ATOM 1021 N ALA A 69 -7.334 1.592 4.688 1.00 0.00 N ATOM 1022 CA ALA A 69 -8.105 2.794 4.523 1.00 0.00 C ATOM 1023 C ALA A 69 -7.959 3.727 5.729 1.00 0.00 C ATOM 1024 O ALA A 69 -8.653 3.584 6.734 1.00 0.00 O ATOM 1025 CB ALA A 69 -9.552 2.440 4.225 1.00 0.00 C ATOM 0 H ALA A 69 -6.918 1.459 5.609 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.717 3.350 3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.132 3.354 4.101 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.601 1.852 3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.962 1.860 5.051 1.00 0.00 H new ATOM 1031 N TYR A 70 -7.099 4.724 5.571 1.00 0.00 N ATOM 1032 CA TYR A 70 -6.859 5.763 6.544 1.00 0.00 C ATOM 1033 C TYR A 70 -6.064 6.829 5.847 1.00 0.00 C ATOM 1034 O TYR A 70 -5.606 6.605 4.748 1.00 0.00 O ATOM 1035 CB TYR A 70 -6.126 5.217 7.764 1.00 0.00 C ATOM 1036 CG TYR A 70 -4.717 4.710 7.520 1.00 0.00 C ATOM 1037 CD1 TYR A 70 -3.632 5.581 7.528 1.00 0.00 C ATOM 1038 CD2 TYR A 70 -4.469 3.360 7.312 1.00 0.00 C ATOM 1039 CE1 TYR A 70 -2.343 5.119 7.337 1.00 0.00 C ATOM 1040 CE2 TYR A 70 -3.184 2.889 7.113 1.00 0.00 C ATOM 1041 CZ TYR A 70 -2.123 3.773 7.128 1.00 0.00 C ATOM 1042 OH TYR A 70 -0.835 3.309 6.946 1.00 0.00 O ATOM 0 H TYR A 70 -6.533 4.829 4.729 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.797 6.172 6.920 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.083 6.002 8.519 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.716 4.403 8.184 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.800 6.636 7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.295 2.664 7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.512 5.809 7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.011 1.836 6.947 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.853 2.338 6.812 1.00 0.00 H new ATOM 1051 N SER A 71 -6.012 8.027 6.351 1.00 0.00 N ATOM 1052 CA SER A 71 -5.422 9.053 5.546 1.00 0.00 C ATOM 1053 C SER A 71 -4.002 9.302 5.972 1.00 0.00 C ATOM 1054 O SER A 71 -3.727 9.722 7.097 1.00 0.00 O ATOM 1055 CB SER A 71 -6.253 10.327 5.554 1.00 0.00 C ATOM 1056 OG SER A 71 -5.674 11.354 4.775 1.00 0.00 O ATOM 0 H SER A 71 -6.353 8.309 7.270 1.00 0.00 H new ATOM 0 HA SER A 71 -5.405 8.705 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.252 10.108 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.369 10.675 6.580 1.00 0.00 H new ATOM 0 HG SER A 71 -5.945 12.226 5.130 1.00 0.00 H new ATOM 1061 N LEU A 72 -3.108 8.920 5.073 1.00 0.00 N ATOM 1062 CA LEU A 72 -1.670 9.033 5.286 1.00 0.00 C ATOM 1063 C LEU A 72 -1.317 10.447 5.739 1.00 0.00 C ATOM 1064 O LEU A 72 -0.434 10.648 6.570 1.00 0.00 O ATOM 1065 CB LEU A 72 -0.914 8.692 4.001 1.00 0.00 C ATOM 1066 CG LEU A 72 -1.094 7.259 3.495 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -0.391 7.075 2.159 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -0.563 6.262 4.513 1.00 0.00 C ATOM 0 H LEU A 72 -3.360 8.520 4.169 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.376 8.327 6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.234 9.379 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.149 8.870 4.166 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.159 7.076 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.529 6.050 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.813 7.765 1.428 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.673 7.278 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.700 5.249 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.498 6.446 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.106 6.376 5.451 1.00 0.00 H new ATOM 1079 N ALA A 73 -2.077 11.414 5.237 1.00 0.00 N ATOM 1080 CA ALA A 73 -1.927 12.800 5.640 1.00 0.00 C ATOM 1081 C ALA A 73 -2.669 13.074 6.947 1.00 0.00 C ATOM 1082 O ALA A 73 -2.073 13.063 8.022 1.00 0.00 O ATOM 1083 CB ALA A 73 -2.433 13.718 4.544 1.00 0.00 C ATOM 0 H ALA A 73 -2.809 11.257 4.544 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.868 12.996 5.806 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.316 14.756 4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.860 13.546 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.487 13.512 4.355 1.00 0.00 H new ATOM 1089 N ASP A 74 -3.980 13.290 6.844 1.00 0.00 N ATOM 1090 CA ASP A 74 -4.811 13.591 8.008 1.00 0.00 C ATOM 1091 C ASP A 74 -6.232 13.093 7.779 1.00 0.00 C ATOM 1092 O ASP A 74 -6.805 13.315 6.711 1.00 0.00 O ATOM 1093 CB ASP A 74 -4.851 15.103 8.272 1.00 0.00 C ATOM 1094 CG ASP A 74 -3.556 15.661 8.831 1.00 0.00 C ATOM 1095 OD1 ASP A 74 -3.180 15.290 9.962 1.00 0.00 O ATOM 1096 OD2 ASP A 74 -2.917 16.493 8.149 1.00 0.00 O ATOM 0 H ASP A 74 -4.491 13.262 5.962 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.376 13.088 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.086 15.619 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.660 15.319 8.970 1.00 0.00 H new ATOM 1100 N GLY A 75 -6.799 12.426 8.775 1.00 0.00 N ATOM 1101 CA GLY A 75 -8.143 11.889 8.642 1.00 0.00 C ATOM 1102 C GLY A 75 -8.133 10.493 8.054 1.00 0.00 C ATOM 1103 O GLY A 75 -7.327 9.654 8.463 1.00 0.00 O ATOM 0 H GLY A 75 -6.353 12.246 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.625 11.869 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.737 12.547 8.007 1.00 0.00 H new ATOM 1107 N THR A 76 -8.937 10.264 7.022 1.00 0.00 N ATOM 1108 CA THR A 76 -8.929 8.976 6.338 1.00 0.00 C ATOM 1109 C THR A 76 -9.099 9.126 4.832 1.00 0.00 C ATOM 1110 O THR A 76 -10.068 9.711 4.348 1.00 0.00 O ATOM 1111 CB THR A 76 -10.020 8.040 6.888 1.00 0.00 C ATOM 1112 OG1 THR A 76 -11.197 8.794 7.212 1.00 0.00 O ATOM 1113 CG2 THR A 76 -9.542 7.286 8.118 1.00 0.00 C ATOM 0 H THR A 76 -9.596 10.945 6.644 1.00 0.00 H new ATOM 0 HA THR A 76 -7.951 8.534 6.530 1.00 0.00 H new ATOM 0 HB THR A 76 -10.252 7.310 6.112 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.887 8.191 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 76 -10.339 6.635 8.478 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.671 6.684 7.860 1.00 0.00 H new ATOM 0 HG23 THR A 76 -9.273 7.997 8.899 1.00 0.00 H new ATOM 1121 N GLU A 77 -8.146 8.540 4.103 1.00 0.00 N ATOM 1122 CA GLU A 77 -8.163 8.520 2.654 1.00 0.00 C ATOM 1123 C GLU A 77 -7.123 7.531 2.156 1.00 0.00 C ATOM 1124 O GLU A 77 -5.936 7.827 2.046 1.00 0.00 O ATOM 1125 CB GLU A 77 -7.955 9.939 2.152 1.00 0.00 C ATOM 1126 CG GLU A 77 -6.537 10.461 2.156 1.00 0.00 C ATOM 1127 CD GLU A 77 -6.449 11.912 1.742 1.00 0.00 C ATOM 1128 OE1 GLU A 77 -6.933 12.777 2.501 1.00 0.00 O ATOM 1129 OE2 GLU A 77 -5.929 12.184 0.645 1.00 0.00 O ATOM 0 H GLU A 77 -7.341 8.066 4.512 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.121 8.179 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.336 9.998 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.565 10.607 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.115 10.346 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.930 9.857 1.481 1.00 0.00 H new ATOM 1134 N LEU A 78 -7.574 6.313 1.907 1.00 0.00 N ATOM 1135 CA LEU A 78 -6.674 5.280 1.489 1.00 0.00 C ATOM 1136 C LEU A 78 -7.385 4.024 1.053 1.00 0.00 C ATOM 1137 O LEU A 78 -8.573 3.821 1.284 1.00 0.00 O ATOM 1138 CB LEU A 78 -5.665 4.990 2.594 1.00 0.00 C ATOM 1139 CG LEU A 78 -4.571 3.972 2.316 1.00 0.00 C ATOM 1140 CD1 LEU A 78 -3.779 4.348 1.069 1.00 0.00 C ATOM 1141 CD2 LEU A 78 -3.642 3.871 3.514 1.00 0.00 C ATOM 0 H LEU A 78 -8.550 6.028 1.989 1.00 0.00 H new ATOM 0 HA LEU A 78 -6.144 5.645 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.184 5.931 2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.218 4.654 3.471 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.040 3.004 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.003 3.603 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.449 4.384 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.318 5.326 1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.860 3.140 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.188 4.843 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.210 3.557 4.390 1.00 0.00 H new ATOM 1152 N THR A 79 -6.598 3.218 0.418 1.00 0.00 N ATOM 1153 CA THR A 79 -6.977 1.976 -0.165 1.00 0.00 C ATOM 1154 C THR A 79 -6.101 0.944 0.358 1.00 0.00 C ATOM 1155 O THR A 79 -4.911 1.202 0.535 1.00 0.00 O ATOM 1156 CB THR A 79 -6.696 1.942 -1.676 1.00 0.00 C ATOM 1157 OG1 THR A 79 -5.523 1.148 -1.957 1.00 0.00 O ATOM 1158 CG2 THR A 79 -6.489 3.341 -2.180 1.00 0.00 C ATOM 0 H THR A 79 -5.608 3.425 0.285 1.00 0.00 H new ATOM 0 HA THR A 79 -8.036 1.836 0.049 1.00 0.00 H new ATOM 0 HB THR A 79 -7.551 1.492 -2.180 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.748 1.536 -1.500 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.290 3.316 -3.251 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.385 3.932 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.642 3.792 -1.664 1.00 0.00 H new ATOM 1166 N GLY A 80 -6.514 -0.242 0.104 1.00 0.00 N ATOM 1167 CA GLY A 80 -5.542 -1.219 0.086 1.00 0.00 C ATOM 1168 C GLY A 80 -5.918 -2.437 -0.660 1.00 0.00 C ATOM 1169 O GLY A 80 -6.998 -2.969 -0.499 1.00 0.00 O ATOM 0 H GLY A 80 -7.474 -0.533 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.634 -0.804 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.302 -1.495 1.113 1.00 0.00 H new ATOM 1173 N THR A 81 -4.939 -2.905 -1.367 1.00 0.00 N ATOM 1174 CA THR A 81 -4.860 -4.243 -1.874 1.00 0.00 C ATOM 1175 C THR A 81 -3.506 -4.356 -2.443 1.00 0.00 C ATOM 1176 O THR A 81 -2.978 -3.373 -2.945 1.00 0.00 O ATOM 1177 CB THR A 81 -5.837 -4.680 -2.974 1.00 0.00 C ATOM 1178 OG1 THR A 81 -7.096 -4.056 -2.833 1.00 0.00 O ATOM 1179 CG2 THR A 81 -6.046 -6.181 -2.914 1.00 0.00 C ATOM 0 H THR A 81 -4.131 -2.337 -1.621 1.00 0.00 H new ATOM 0 HA THR A 81 -5.116 -4.886 -1.032 1.00 0.00 H new ATOM 0 HB THR A 81 -5.399 -4.387 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.348 -4.038 -1.886 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.741 -6.483 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.092 -6.687 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.456 -6.453 -1.941 1.00 0.00 H new ATOM 1187 N TRP A 82 -2.971 -5.524 -2.439 1.00 0.00 N ATOM 1188 CA TRP A 82 -1.761 -5.770 -3.170 1.00 0.00 C ATOM 1189 C TRP A 82 -1.738 -7.233 -3.620 1.00 0.00 C ATOM 1190 O TRP A 82 -1.498 -8.112 -2.804 1.00 0.00 O ATOM 1191 CB TRP A 82 -0.521 -5.506 -2.300 1.00 0.00 C ATOM 1192 CG TRP A 82 -0.467 -4.128 -1.748 1.00 0.00 C ATOM 1193 CD1 TRP A 82 -1.231 -3.616 -0.750 1.00 0.00 C ATOM 1194 CD2 TRP A 82 0.379 -3.085 -2.186 1.00 0.00 C ATOM 1195 NE1 TRP A 82 -0.974 -2.291 -0.596 1.00 0.00 N ATOM 1196 CE2 TRP A 82 0.051 -1.936 -1.448 1.00 0.00 C ATOM 1197 CE3 TRP A 82 1.376 -3.021 -3.142 1.00 0.00 C ATOM 1198 CZ2 TRP A 82 0.702 -0.716 -1.659 1.00 0.00 C ATOM 1199 CZ3 TRP A 82 2.033 -1.841 -3.345 1.00 0.00 C ATOM 1200 CH2 TRP A 82 1.700 -0.697 -2.613 1.00 0.00 C ATOM 0 H TRP A 82 -3.345 -6.331 -1.940 1.00 0.00 H new ATOM 0 HA TRP A 82 -1.737 -5.098 -4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -0.506 -6.220 -1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.375 -5.686 -2.894 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -1.941 -4.180 -0.163 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -1.459 -1.662 0.044 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.633 -3.895 -3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.436 0.170 -1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 2.821 -1.791 -4.082 1.00 0.00 H new ATOM 0 HH2 TRP A 82 2.236 0.222 -2.798 1.00 0.00 H new ATOM 1210 N THR A 83 -2.003 -7.498 -4.892 1.00 0.00 N ATOM 1211 CA THR A 83 -2.077 -8.872 -5.372 1.00 0.00 C ATOM 1212 C THR A 83 -1.091 -9.147 -6.503 1.00 0.00 C ATOM 1213 O THR A 83 -1.432 -9.050 -7.680 1.00 0.00 O ATOM 1214 CB THR A 83 -3.478 -9.108 -5.947 1.00 0.00 C ATOM 1215 OG1 THR A 83 -3.892 -7.946 -6.713 1.00 0.00 O ATOM 1216 CG2 THR A 83 -4.497 -9.380 -4.855 1.00 0.00 C ATOM 0 H THR A 83 -2.169 -6.787 -5.605 1.00 0.00 H new ATOM 0 HA THR A 83 -1.845 -9.523 -4.529 1.00 0.00 H new ATOM 0 HB THR A 83 -3.430 -9.987 -6.590 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.212 -7.739 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.477 -9.542 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.203 -10.268 -4.296 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.544 -8.525 -4.180 1.00 0.00 H new ATOM 1224 N MET A 84 0.095 -9.586 -6.174 1.00 0.00 N ATOM 1225 CA MET A 84 1.103 -9.753 -7.198 1.00 0.00 C ATOM 1226 C MET A 84 1.518 -11.156 -7.524 1.00 0.00 C ATOM 1227 O MET A 84 1.486 -12.049 -6.683 1.00 0.00 O ATOM 1228 CB MET A 84 2.357 -9.027 -6.840 1.00 0.00 C ATOM 1229 CG MET A 84 2.825 -9.158 -5.398 1.00 0.00 C ATOM 1230 SD MET A 84 3.202 -10.829 -4.830 1.00 0.00 S ATOM 1231 CE MET A 84 1.708 -11.217 -3.915 1.00 0.00 C ATOM 0 H MET A 84 0.387 -9.831 -5.228 1.00 0.00 H new ATOM 0 HA MET A 84 0.598 -9.351 -8.076 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.155 -9.381 -7.492 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.214 -7.969 -7.058 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.716 -8.544 -5.270 1.00 0.00 H new ATOM 0 HG3 MET A 84 2.055 -8.741 -4.749 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.949 -11.891 -3.093 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.277 -10.299 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 84 0.989 -11.697 -4.579 1.00 0.00 H new ATOM 1239 N GLU A 85 2.298 -11.180 -8.592 1.00 0.00 N ATOM 1240 CA GLU A 85 3.282 -12.223 -8.729 1.00 0.00 C ATOM 1241 C GLU A 85 4.163 -11.963 -9.927 1.00 0.00 C ATOM 1242 O GLU A 85 4.069 -12.671 -10.927 1.00 0.00 O ATOM 1243 CB GLU A 85 2.627 -13.535 -8.997 1.00 0.00 C ATOM 1244 CG GLU A 85 3.328 -14.723 -8.365 1.00 0.00 C ATOM 1245 CD GLU A 85 2.602 -16.028 -8.616 1.00 0.00 C ATOM 1246 OE1 GLU A 85 1.397 -16.117 -8.295 1.00 0.00 O ATOM 1247 OE2 GLU A 85 3.234 -16.974 -9.120 1.00 0.00 O ATOM 0 H GLU A 85 2.267 -10.504 -9.356 1.00 0.00 H new ATOM 0 HA GLU A 85 3.852 -12.240 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.601 -13.497 -8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.576 -13.689 -10.075 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.342 -14.794 -8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.414 -14.560 -7.291 1.00 0.00 H new ATOM 1252 N GLY A 86 5.181 -11.192 -9.736 1.00 0.00 N ATOM 1253 CA GLY A 86 6.287 -11.220 -10.647 1.00 0.00 C ATOM 1254 C GLY A 86 7.250 -10.167 -10.240 1.00 0.00 C ATOM 1255 O GLY A 86 7.158 -9.054 -10.760 1.00 0.00 O ATOM 0 H GLY A 86 5.275 -10.535 -8.961 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.766 -12.199 -10.633 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.944 -11.047 -11.667 1.00 0.00 H new ATOM 1259 N ASN A 87 8.188 -10.499 -9.380 1.00 0.00 N ATOM 1260 CA ASN A 87 9.132 -9.509 -8.875 1.00 0.00 C ATOM 1261 C ASN A 87 8.410 -8.167 -8.569 1.00 0.00 C ATOM 1262 O ASN A 87 8.937 -7.094 -8.854 1.00 0.00 O ATOM 1263 CB ASN A 87 10.232 -9.311 -9.929 1.00 0.00 C ATOM 1264 CG ASN A 87 11.476 -8.604 -9.411 1.00 0.00 C ATOM 1265 OD1 ASN A 87 11.482 -7.398 -9.181 1.00 0.00 O ATOM 1266 ND2 ASN A 87 12.547 -9.356 -9.229 1.00 0.00 N ATOM 0 H ASN A 87 8.322 -11.441 -9.013 1.00 0.00 H new ATOM 0 HA ASN A 87 9.574 -9.859 -7.942 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.520 -10.285 -10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.823 -8.738 -10.761 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.412 -8.937 -8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.509 -10.355 -9.430 1.00 0.00 H new ATOM 1272 N LYS A 88 7.133 -8.217 -8.138 1.00 0.00 N ATOM 1273 CA LYS A 88 6.364 -6.990 -8.008 1.00 0.00 C ATOM 1274 C LYS A 88 5.236 -7.200 -7.075 1.00 0.00 C ATOM 1275 O LYS A 88 4.874 -8.320 -6.861 1.00 0.00 O ATOM 1276 CB LYS A 88 5.767 -6.539 -9.366 1.00 0.00 C ATOM 1277 CG LYS A 88 4.244 -6.800 -9.557 1.00 0.00 C ATOM 1278 CD LYS A 88 3.901 -8.253 -9.889 1.00 0.00 C ATOM 1279 CE LYS A 88 4.135 -8.551 -11.367 1.00 0.00 C ATOM 1280 NZ LYS A 88 3.468 -9.813 -11.821 1.00 0.00 N ATOM 0 H LYS A 88 6.636 -9.071 -7.884 1.00 0.00 H new ATOM 0 HA LYS A 88 7.046 -6.224 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.951 -5.471 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.307 -7.047 -10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.719 -6.512 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.873 -6.158 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.509 -8.921 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.859 -8.451 -9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.766 -7.716 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.207 -8.626 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.191 -10.513 -12.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.883 -10.193 -11.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.866 -9.611 -12.645 1.00 0.00 H new ATOM 1290 N LEU A 89 4.724 -6.114 -6.519 1.00 0.00 N ATOM 1291 CA LEU A 89 3.489 -6.102 -5.786 1.00 0.00 C ATOM 1292 C LEU A 89 2.410 -5.526 -6.666 1.00 0.00 C ATOM 1293 O LEU A 89 2.595 -4.431 -7.151 1.00 0.00 O ATOM 1294 CB LEU A 89 3.603 -5.187 -4.591 1.00 0.00 C ATOM 1295 CG LEU A 89 3.610 -5.926 -3.277 1.00 0.00 C ATOM 1296 CD1 LEU A 89 3.375 -5.013 -2.083 1.00 0.00 C ATOM 1297 CD2 LEU A 89 2.579 -7.022 -3.295 1.00 0.00 C ATOM 0 H LEU A 89 5.174 -5.200 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 89 3.261 -7.120 -5.471 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.518 -4.601 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.771 -4.482 -4.600 1.00 0.00 H new ATOM 0 HG LEU A 89 4.606 -6.353 -3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.391 -5.602 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.160 -4.257 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.406 -4.525 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.592 -7.550 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.591 -6.590 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.805 -7.721 -4.100 1.00 0.00 H new ATOM 1308 N VAL A 90 1.244 -6.141 -6.805 1.00 0.00 N ATOM 1309 CA VAL A 90 0.229 -5.452 -7.593 1.00 0.00 C ATOM 1310 C VAL A 90 -1.170 -5.741 -7.119 1.00 0.00 C ATOM 1311 O VAL A 90 -1.824 -6.652 -7.569 1.00 0.00 O ATOM 1312 CB VAL A 90 0.323 -5.791 -9.089 1.00 0.00 C ATOM 1313 CG1 VAL A 90 1.457 -5.058 -9.736 1.00 0.00 C ATOM 1314 CG2 VAL A 90 0.478 -7.286 -9.309 1.00 0.00 C ATOM 0 H VAL A 90 0.986 -7.048 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 90 0.435 -4.391 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.610 -5.471 -9.552 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.501 -5.316 -10.794 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.303 -3.984 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.394 -5.339 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.542 -7.492 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.387 -7.634 -8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.383 -7.807 -8.890 1.00 0.00 H new ATOM 1324 N GLY A 91 -1.703 -4.827 -6.390 1.00 0.00 N ATOM 1325 CA GLY A 91 -3.048 -4.958 -5.903 1.00 0.00 C ATOM 1326 C GLY A 91 -3.539 -3.634 -5.520 1.00 0.00 C ATOM 1327 O GLY A 91 -2.759 -2.698 -5.543 1.00 0.00 O ATOM 0 H GLY A 91 -1.230 -3.968 -6.110 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.688 -5.390 -6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.076 -5.633 -5.048 1.00 0.00 H new ATOM 1331 N LYS A 92 -4.821 -3.476 -5.329 1.00 0.00 N ATOM 1332 CA LYS A 92 -5.305 -2.145 -5.280 1.00 0.00 C ATOM 1333 C LYS A 92 -6.699 -1.993 -4.732 1.00 0.00 C ATOM 1334 O LYS A 92 -7.599 -2.783 -5.027 1.00 0.00 O ATOM 1335 CB LYS A 92 -5.231 -1.672 -6.693 1.00 0.00 C ATOM 1336 CG LYS A 92 -6.196 -0.560 -7.039 1.00 0.00 C ATOM 1337 CD LYS A 92 -6.327 -0.350 -8.535 1.00 0.00 C ATOM 1338 CE LYS A 92 -5.001 -0.460 -9.244 1.00 0.00 C ATOM 1339 NZ LYS A 92 -5.126 -1.085 -10.581 1.00 0.00 N ATOM 0 H LYS A 92 -5.511 -4.218 -5.211 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.704 -1.559 -4.585 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.216 -1.329 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.419 -2.517 -7.355 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -7.176 -0.790 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.860 0.366 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.018 -1.087 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.759 0.633 -8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -4.565 0.533 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.314 -1.047 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.189 -1.138 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.517 -2.044 -10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -5.760 -0.513 -11.174 1.00 0.00 H new ATOM 1349 N PHE A 93 -6.890 -0.863 -4.084 1.00 0.00 N ATOM 1350 CA PHE A 93 -8.161 -0.451 -3.583 1.00 0.00 C ATOM 1351 C PHE A 93 -8.319 0.974 -3.842 1.00 0.00 C ATOM 1352 O PHE A 93 -7.408 1.624 -4.349 1.00 0.00 O ATOM 1353 CB PHE A 93 -8.337 -0.664 -2.109 1.00 0.00 C ATOM 1354 CG PHE A 93 -9.447 -1.608 -1.808 1.00 0.00 C ATOM 1355 CD1 PHE A 93 -9.559 -2.766 -2.535 1.00 0.00 C ATOM 1356 CD2 PHE A 93 -10.371 -1.338 -0.821 1.00 0.00 C ATOM 1357 CE1 PHE A 93 -10.577 -3.662 -2.287 1.00 0.00 C ATOM 1358 CE2 PHE A 93 -11.397 -2.225 -0.561 1.00 0.00 C ATOM 1359 CZ PHE A 93 -11.501 -3.392 -1.295 1.00 0.00 C ATOM 0 H PHE A 93 -6.141 -0.198 -3.893 1.00 0.00 H new ATOM 0 HA PHE A 93 -8.905 -1.064 -4.091 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -7.409 -1.049 -1.686 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -8.535 0.293 -1.626 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.840 -2.979 -3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -10.292 -0.426 -0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.652 -4.571 -2.865 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -12.117 -2.007 0.214 1.00 0.00 H new ATOM 0 HZ PHE A 93 -12.301 -4.090 -1.094 1.00 0.00 H new ATOM 1368 N LYS A 94 -9.473 1.449 -3.519 1.00 0.00 N ATOM 1369 CA LYS A 94 -9.766 2.801 -3.668 1.00 0.00 C ATOM 1370 C LYS A 94 -9.638 3.499 -2.332 1.00 0.00 C ATOM 1371 O LYS A 94 -9.669 2.855 -1.286 1.00 0.00 O ATOM 1372 CB LYS A 94 -11.163 2.968 -4.182 1.00 0.00 C ATOM 1373 CG LYS A 94 -12.164 3.111 -3.059 1.00 0.00 C ATOM 1374 CD LYS A 94 -12.439 1.780 -2.356 1.00 0.00 C ATOM 1375 CE LYS A 94 -12.963 1.977 -0.938 1.00 0.00 C ATOM 1376 NZ LYS A 94 -11.877 2.325 0.026 1.00 0.00 N ATOM 0 H LYS A 94 -10.237 0.889 -3.141 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.066 3.239 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -11.211 3.847 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.428 2.108 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.792 3.833 -2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.098 3.510 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.165 1.209 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.522 1.191 -2.325 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.713 2.768 -0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.461 1.065 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.214 3.063 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.611 1.479 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.049 2.675 -0.496 1.00 0.00 H new ATOM 1386 N ARG A 95 -9.316 4.765 -2.381 1.00 0.00 N ATOM 1387 CA ARG A 95 -9.042 5.517 -1.167 1.00 0.00 C ATOM 1388 C ARG A 95 -10.259 5.638 -0.260 1.00 0.00 C ATOM 1389 O ARG A 95 -11.353 5.179 -0.577 1.00 0.00 O ATOM 1390 CB ARG A 95 -8.594 6.931 -1.474 1.00 0.00 C ATOM 1391 CG ARG A 95 -9.732 7.876 -1.812 1.00 0.00 C ATOM 1392 CD ARG A 95 -9.346 9.322 -1.541 1.00 0.00 C ATOM 1393 NE ARG A 95 -8.125 9.773 -2.224 1.00 0.00 N ATOM 1394 CZ ARG A 95 -6.881 9.658 -1.748 1.00 0.00 C ATOM 1395 NH1 ARG A 95 -6.641 9.044 -0.597 1.00 0.00 N ATOM 1396 NH2 ARG A 95 -5.873 10.170 -2.439 1.00 0.00 N ATOM 0 H ARG A 95 -9.235 5.304 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.256 4.954 -0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.051 7.324 -0.615 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.894 6.907 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.005 7.760 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.612 7.615 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.172 9.966 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.214 9.453 -0.467 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.236 10.211 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.412 8.650 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.685 8.966 -0.250 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.051 10.646 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -4.919 10.089 -2.086 1.00 0.00 H new ATOM 1407 N VAL A 96 -10.063 6.426 0.787 1.00 0.00 N ATOM 1408 CA VAL A 96 -11.147 6.763 1.724 1.00 0.00 C ATOM 1409 C VAL A 96 -11.797 8.094 1.401 1.00 0.00 C ATOM 1410 O VAL A 96 -13.002 8.251 1.594 1.00 0.00 O ATOM 1411 CB VAL A 96 -10.674 6.850 3.189 1.00 0.00 C ATOM 1412 CG1 VAL A 96 -11.853 7.098 4.120 1.00 0.00 C ATOM 1413 CG2 VAL A 96 -9.945 5.595 3.605 1.00 0.00 C ATOM 0 H VAL A 96 -9.164 6.849 1.017 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.859 5.946 1.608 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.982 7.689 3.262 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.498 7.156 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.339 8.036 3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.567 6.280 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.624 5.688 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.611 4.738 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.073 5.452 2.967 1.00 0.00 H new ATOM 1423 N ASP A 97 -10.979 9.091 1.053 1.00 0.00 N ATOM 1424 CA ASP A 97 -11.497 10.461 0.905 1.00 0.00 C ATOM 1425 C ASP A 97 -12.698 10.466 -0.025 1.00 0.00 C ATOM 1426 O ASP A 97 -13.755 10.986 0.328 1.00 0.00 O ATOM 1427 CB ASP A 97 -10.410 11.437 0.436 1.00 0.00 C ATOM 1428 CG ASP A 97 -10.959 12.618 -0.339 1.00 0.00 C ATOM 1429 OD1 ASP A 97 -11.242 12.457 -1.547 1.00 0.00 O ATOM 1430 OD2 ASP A 97 -11.108 13.705 0.251 1.00 0.00 O ATOM 0 H ASP A 97 -9.981 8.985 0.872 1.00 0.00 H new ATOM 0 HA ASP A 97 -11.820 10.810 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -9.862 11.804 1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -9.696 10.901 -0.189 1.00 0.00 H new ATOM 1434 N ASN A 98 -12.631 9.613 -1.033 1.00 0.00 N ATOM 1435 CA ASN A 98 -13.822 9.277 -1.784 1.00 0.00 C ATOM 1436 C ASN A 98 -13.702 7.830 -2.218 1.00 0.00 C ATOM 1437 O ASN A 98 -13.955 6.918 -1.434 1.00 0.00 O ATOM 1438 CB ASN A 98 -13.999 10.215 -2.991 1.00 0.00 C ATOM 1439 CG ASN A 98 -15.352 10.063 -3.672 1.00 0.00 C ATOM 1440 OD1 ASN A 98 -15.731 8.971 -4.097 1.00 0.00 O ATOM 1441 ND2 ASN A 98 -16.079 11.160 -3.804 1.00 0.00 N ATOM 0 H ASN A 98 -11.778 9.149 -1.344 1.00 0.00 H new ATOM 0 HA ASN A 98 -14.708 9.404 -1.162 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -13.878 11.247 -2.662 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -13.210 10.017 -3.716 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -16.985 11.118 -4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -15.733 12.048 -3.440 1.00 0.00 H new ATOM 1447 N GLY A 99 -13.067 7.635 -3.347 1.00 0.00 N ATOM 1448 CA GLY A 99 -12.667 6.314 -3.745 1.00 0.00 C ATOM 1449 C GLY A 99 -11.738 6.373 -4.909 1.00 0.00 C ATOM 1450 O GLY A 99 -12.162 6.556 -6.045 1.00 0.00 O ATOM 0 H GLY A 99 -12.818 8.375 -4.004 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.181 5.809 -2.910 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.547 5.725 -4.005 1.00 0.00 H new ATOM 1454 N LYS A 100 -10.464 6.188 -4.635 1.00 0.00 N ATOM 1455 CA LYS A 100 -9.491 6.161 -5.713 1.00 0.00 C ATOM 1456 C LYS A 100 -8.728 4.857 -5.678 1.00 0.00 C ATOM 1457 O LYS A 100 -7.839 4.676 -4.850 1.00 0.00 O ATOM 1458 CB LYS A 100 -8.486 7.328 -5.642 1.00 0.00 C ATOM 1459 CG LYS A 100 -8.921 8.566 -4.854 1.00 0.00 C ATOM 1460 CD LYS A 100 -10.238 9.163 -5.282 1.00 0.00 C ATOM 1461 CE LYS A 100 -10.680 10.233 -4.294 1.00 0.00 C ATOM 1462 NZ LYS A 100 -10.480 11.616 -4.812 1.00 0.00 N ATOM 0 H LYS A 100 -10.081 6.057 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 100 -10.049 6.261 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.561 6.954 -5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.253 7.638 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.985 8.302 -3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.147 9.328 -4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.142 9.596 -6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.996 8.382 -5.345 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -11.734 10.088 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.124 10.114 -3.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.658 12.047 -4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.315 11.582 -5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.328 12.186 -4.617 1.00 0.00 H new ATOM 1472 N GLU A 101 -9.110 3.949 -6.555 1.00 0.00 N ATOM 1473 CA GLU A 101 -8.505 2.635 -6.622 1.00 0.00 C ATOM 1474 C GLU A 101 -7.556 2.569 -7.807 1.00 0.00 C ATOM 1475 O GLU A 101 -7.965 2.550 -8.962 1.00 0.00 O ATOM 1476 CB GLU A 101 -9.581 1.525 -6.654 1.00 0.00 C ATOM 1477 CG GLU A 101 -9.980 1.032 -8.019 1.00 0.00 C ATOM 1478 CD GLU A 101 -11.171 0.096 -7.975 1.00 0.00 C ATOM 1479 OE1 GLU A 101 -11.049 -1.003 -7.392 1.00 0.00 O ATOM 1480 OE2 GLU A 101 -12.236 0.452 -8.516 1.00 0.00 O ATOM 0 H GLU A 101 -9.849 4.103 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.920 2.460 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.216 0.676 -6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -10.473 1.896 -6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.216 1.885 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.135 0.518 -8.477 1.00 0.00 H new ATOM 1485 N LEU A 102 -6.282 2.612 -7.473 1.00 0.00 N ATOM 1486 CA LEU A 102 -5.171 2.519 -8.402 1.00 0.00 C ATOM 1487 C LEU A 102 -3.919 2.396 -7.584 1.00 0.00 C ATOM 1488 O LEU A 102 -3.668 3.210 -6.746 1.00 0.00 O ATOM 1489 CB LEU A 102 -5.091 3.708 -9.353 1.00 0.00 C ATOM 1490 CG LEU A 102 -6.032 3.653 -10.556 1.00 0.00 C ATOM 1491 CD1 LEU A 102 -5.588 4.626 -11.626 1.00 0.00 C ATOM 1492 CD2 LEU A 102 -6.098 2.240 -11.130 1.00 0.00 C ATOM 0 H LEU A 102 -5.978 2.717 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.309 1.649 -9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -5.303 4.617 -8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -4.067 3.791 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.028 3.936 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.271 4.571 -12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.592 5.638 -11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.581 4.371 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.774 2.226 -11.985 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.103 1.930 -11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.465 1.554 -10.366 1.00 0.00 H new ATOM 1503 N ILE A 103 -3.259 1.291 -7.702 1.00 0.00 N ATOM 1504 CA ILE A 103 -2.055 1.016 -6.946 1.00 0.00 C ATOM 1505 C ILE A 103 -1.424 -0.275 -7.470 1.00 0.00 C ATOM 1506 O ILE A 103 -2.123 -1.283 -7.530 1.00 0.00 O ATOM 1507 CB ILE A 103 -2.354 0.883 -5.410 1.00 0.00 C ATOM 1508 CG1 ILE A 103 -2.117 2.219 -4.696 1.00 0.00 C ATOM 1509 CG2 ILE A 103 -1.485 -0.189 -4.768 1.00 0.00 C ATOM 1510 CD1 ILE A 103 -2.733 2.295 -3.319 1.00 0.00 C ATOM 0 H ILE A 103 -3.534 0.536 -8.331 1.00 0.00 H new ATOM 0 HA ILE A 103 -1.366 1.851 -7.074 1.00 0.00 H new ATOM 0 HB ILE A 103 -3.400 0.595 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.044 2.390 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -2.522 3.024 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -1.716 -0.256 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -1.682 -1.150 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -0.434 0.070 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.522 3.270 -2.879 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -3.812 2.157 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -2.311 1.513 -2.688 1.00 0.00 H new ATOM 1521 N ALA A 104 -0.148 -0.273 -7.881 1.00 0.00 N ATOM 1522 CA ALA A 104 0.488 -1.538 -8.270 1.00 0.00 C ATOM 1523 C ALA A 104 1.975 -1.431 -8.571 1.00 0.00 C ATOM 1524 O ALA A 104 2.340 -1.240 -9.728 1.00 0.00 O ATOM 1525 CB ALA A 104 -0.237 -2.135 -9.449 1.00 0.00 C ATOM 0 H ALA A 104 0.444 0.555 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 104 0.411 -2.190 -7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.240 -3.073 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.276 -2.323 -9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.200 -1.441 -10.289 1.00 0.00 H new ATOM 1531 N VAL A 105 2.807 -1.855 -7.622 1.00 0.00 N ATOM 1532 CA VAL A 105 4.202 -2.159 -7.921 1.00 0.00 C ATOM 1533 C VAL A 105 4.859 -2.730 -6.684 1.00 0.00 C ATOM 1534 O VAL A 105 4.655 -2.192 -5.595 1.00 0.00 O ATOM 1535 CB VAL A 105 5.000 -0.936 -8.470 1.00 0.00 C ATOM 1536 CG1 VAL A 105 6.280 -0.669 -7.678 1.00 0.00 C ATOM 1537 CG2 VAL A 105 5.340 -1.162 -9.940 1.00 0.00 C ATOM 0 H VAL A 105 2.541 -1.995 -6.647 1.00 0.00 H new ATOM 0 HA VAL A 105 4.215 -2.895 -8.725 1.00 0.00 H new ATOM 0 HB VAL A 105 4.364 -0.058 -8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.797 0.192 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.028 -0.465 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.929 -1.543 -7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 105 5.897 -0.306 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.946 -2.063 -10.039 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.420 -1.279 -10.512 1.00 0.00 H new ATOM 1547 N ARG A 106 5.839 -3.608 -6.846 1.00 0.00 N ATOM 1548 CA ARG A 106 6.696 -3.785 -5.728 1.00 0.00 C ATOM 1549 C ARG A 106 8.038 -3.273 -6.005 1.00 0.00 C ATOM 1550 O ARG A 106 8.432 -2.929 -7.122 1.00 0.00 O ATOM 1551 CB ARG A 106 6.834 -5.168 -5.095 1.00 0.00 C ATOM 1552 CG ARG A 106 7.083 -5.056 -3.599 1.00 0.00 C ATOM 1553 CD ARG A 106 6.092 -4.101 -2.996 1.00 0.00 C ATOM 1554 NE ARG A 106 6.543 -3.502 -1.754 1.00 0.00 N ATOM 1555 CZ ARG A 106 6.569 -4.146 -0.592 1.00 0.00 C ATOM 1556 NH1 ARG A 106 5.964 -5.312 -0.515 1.00 0.00 N ATOM 1557 NH2 ARG A 106 7.096 -3.572 0.491 1.00 0.00 N ATOM 0 H ARG A 106 6.037 -4.161 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 106 6.156 -3.209 -4.976 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.928 -5.747 -5.275 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.656 -5.708 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 106 6.992 -6.036 -3.130 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.099 -4.707 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.879 -3.310 -3.715 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.155 -4.628 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 106 6.858 -2.532 -1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.493 -5.697 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.966 -5.831 0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.484 -2.630 0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.111 -4.075 1.378 1.00 0.00 H new ATOM 1568 N GLU A 107 8.666 -3.161 -4.921 1.00 0.00 N ATOM 1569 CA GLU A 107 9.920 -2.568 -4.806 1.00 0.00 C ATOM 1570 C GLU A 107 10.940 -3.638 -4.793 1.00 0.00 C ATOM 1571 O GLU A 107 11.101 -4.298 -3.783 1.00 0.00 O ATOM 1572 CB GLU A 107 9.950 -1.831 -3.481 1.00 0.00 C ATOM 1573 CG GLU A 107 8.619 -1.755 -2.804 1.00 0.00 C ATOM 1574 CD GLU A 107 8.693 -1.129 -1.430 1.00 0.00 C ATOM 1575 OE1 GLU A 107 9.682 -0.444 -1.148 1.00 0.00 O ATOM 1576 OE2 GLU A 107 7.740 -1.305 -0.641 1.00 0.00 O ATOM 0 H GLU A 107 8.298 -3.501 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 107 10.117 -1.883 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 107 10.658 -2.326 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.322 -0.820 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.934 -1.177 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.203 -2.759 -2.719 1.00 0.00 H new ATOM 1581 N ILE A 108 11.579 -3.835 -5.927 1.00 0.00 N ATOM 1582 CA ILE A 108 12.602 -4.830 -6.073 1.00 0.00 C ATOM 1583 C ILE A 108 13.317 -4.594 -7.415 1.00 0.00 C ATOM 1584 O ILE A 108 12.666 -4.676 -8.457 1.00 0.00 O ATOM 1585 CB ILE A 108 12.009 -6.273 -6.117 1.00 0.00 C ATOM 1586 CG1 ILE A 108 11.299 -6.704 -4.824 1.00 0.00 C ATOM 1587 CG2 ILE A 108 13.101 -7.258 -6.472 1.00 0.00 C ATOM 1588 CD1 ILE A 108 10.826 -8.145 -4.822 1.00 0.00 C ATOM 0 H ILE A 108 11.396 -3.301 -6.776 1.00 0.00 H new ATOM 0 HA ILE A 108 13.274 -4.747 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 108 11.235 -6.265 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.978 -6.555 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.441 -6.052 -4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.686 -8.266 -6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 108 13.515 -7.006 -7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.890 -7.213 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.336 -8.366 -3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.120 -8.297 -5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.681 -8.809 -4.952 1.00 0.00 H new ATOM 1599 N SER A 109 14.635 -4.388 -7.420 1.00 0.00 N ATOM 1600 CA SER A 109 15.388 -4.265 -8.684 1.00 0.00 C ATOM 1601 C SER A 109 16.877 -4.364 -8.400 1.00 0.00 C ATOM 1602 O SER A 109 17.447 -3.428 -7.850 1.00 0.00 O ATOM 1603 CB SER A 109 15.103 -2.922 -9.383 1.00 0.00 C ATOM 1604 OG SER A 109 13.753 -2.813 -9.803 1.00 0.00 O ATOM 0 H SER A 109 15.204 -4.303 -6.578 1.00 0.00 H new ATOM 0 HA SER A 109 15.069 -5.073 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.337 -2.103 -8.703 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.760 -2.817 -10.246 1.00 0.00 H new ATOM 0 HG SER A 109 13.301 -3.673 -9.676 1.00 0.00 H new ATOM 1609 N GLY A 110 17.481 -5.523 -8.680 1.00 0.00 N ATOM 1610 CA GLY A 110 18.845 -5.762 -8.225 1.00 0.00 C ATOM 1611 C GLY A 110 18.866 -5.674 -6.717 1.00 0.00 C ATOM 1612 O GLY A 110 18.180 -6.460 -6.062 1.00 0.00 O ATOM 0 H GLY A 110 17.058 -6.288 -9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 110 19.188 -6.743 -8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 110 19.524 -5.027 -8.657 1.00 0.00 H new ATOM 1616 N ASN A 111 19.186 -4.482 -6.250 1.00 0.00 N ATOM 1617 CA ASN A 111 18.699 -4.083 -4.952 1.00 0.00 C ATOM 1618 C ASN A 111 18.507 -2.573 -4.929 1.00 0.00 C ATOM 1619 O ASN A 111 19.409 -1.793 -4.609 1.00 0.00 O ATOM 1620 CB ASN A 111 19.642 -4.539 -3.835 1.00 0.00 C ATOM 1621 CG ASN A 111 19.138 -4.148 -2.460 1.00 0.00 C ATOM 1622 OD1 ASN A 111 19.972 -3.454 -1.702 1.00 0.00 O flip ATOM 1623 ND2 ASN A 111 18.015 -4.484 -2.077 1.00 0.00 N flip ATOM 0 H ASN A 111 19.763 -3.795 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 111 17.739 -4.567 -4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 111 19.760 -5.622 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.628 -4.104 -3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.404 -5.019 -2.695 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.697 -4.227 -1.143 1.00 0.00 H new ATOM 1629 N GLU A 112 17.269 -2.217 -5.197 1.00 0.00 N ATOM 1630 CA GLU A 112 16.741 -0.870 -5.135 1.00 0.00 C ATOM 1631 C GLU A 112 15.249 -1.044 -5.291 1.00 0.00 C ATOM 1632 O GLU A 112 14.823 -1.969 -5.982 1.00 0.00 O ATOM 1633 CB GLU A 112 17.317 0.046 -6.220 1.00 0.00 C ATOM 1634 CG GLU A 112 16.904 -0.322 -7.632 1.00 0.00 C ATOM 1635 CD GLU A 112 17.655 0.480 -8.672 1.00 0.00 C ATOM 1636 OE1 GLU A 112 18.892 0.618 -8.539 1.00 0.00 O ATOM 1637 OE2 GLU A 112 17.020 0.949 -9.640 1.00 0.00 O ATOM 0 H GLU A 112 16.564 -2.898 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 112 17.012 -0.380 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.004 1.070 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 112 18.405 0.026 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.082 -1.385 -7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 112 15.833 -0.156 -7.751 1.00 0.00 H new ATOM 1642 N LEU A 113 14.469 -0.383 -4.480 1.00 0.00 N ATOM 1643 CA LEU A 113 13.071 -0.736 -4.393 1.00 0.00 C ATOM 1644 C LEU A 113 12.208 0.312 -5.096 1.00 0.00 C ATOM 1645 O LEU A 113 12.709 1.365 -5.436 1.00 0.00 O ATOM 1646 CB LEU A 113 12.711 -0.932 -2.929 1.00 0.00 C ATOM 1647 CG LEU A 113 13.152 -2.286 -2.336 1.00 0.00 C ATOM 1648 CD1 LEU A 113 12.055 -2.945 -1.526 1.00 0.00 C ATOM 1649 CD2 LEU A 113 13.729 -3.227 -3.375 1.00 0.00 C ATOM 0 H LEU A 113 14.765 0.387 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 113 12.876 -1.674 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 113 13.164 -0.130 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.631 -0.836 -2.818 1.00 0.00 H new ATOM 0 HG LEU A 113 13.964 -2.056 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.415 -3.895 -1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.770 -2.293 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.189 -3.123 -2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.021 -4.162 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 113 12.979 -3.429 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.603 -2.767 -3.837 1.00 0.00 H new ATOM 1660 N ILE A 114 10.933 0.004 -5.354 1.00 0.00 N ATOM 1661 CA ILE A 114 10.029 0.887 -6.086 1.00 0.00 C ATOM 1662 C ILE A 114 8.622 0.703 -5.550 1.00 0.00 C ATOM 1663 O ILE A 114 8.169 -0.410 -5.368 1.00 0.00 O ATOM 1664 CB ILE A 114 9.979 0.567 -7.597 1.00 0.00 C ATOM 1665 CG1 ILE A 114 11.387 0.376 -8.176 1.00 0.00 C ATOM 1666 CG2 ILE A 114 9.251 1.670 -8.351 1.00 0.00 C ATOM 1667 CD1 ILE A 114 12.217 1.646 -8.178 1.00 0.00 C ATOM 0 H ILE A 114 10.500 -0.871 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 114 10.400 1.903 -5.952 1.00 0.00 H new ATOM 0 HB ILE A 114 9.433 -0.368 -7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.908 -0.388 -7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.304 0.004 -9.197 1.00 0.00 H new ATOM 0 HG21 ILE A 114 9.225 1.428 -9.414 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.232 1.757 -7.974 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.774 2.616 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.200 1.438 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.718 2.406 -8.779 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.331 2.008 -7.156 1.00 0.00 H new ATOM 1678 N GLN A 115 7.880 1.763 -5.461 1.00 0.00 N ATOM 1679 CA GLN A 115 6.499 1.659 -5.071 1.00 0.00 C ATOM 1680 C GLN A 115 5.686 2.515 -5.981 1.00 0.00 C ATOM 1681 O GLN A 115 5.731 3.737 -5.890 1.00 0.00 O ATOM 1682 CB GLN A 115 6.285 2.124 -3.637 1.00 0.00 C ATOM 1683 CG GLN A 115 6.940 1.240 -2.593 1.00 0.00 C ATOM 1684 CD GLN A 115 6.663 1.735 -1.185 1.00 0.00 C ATOM 1685 OE1 GLN A 115 7.678 2.308 -0.553 1.00 0.00 O flip ATOM 1686 NE2 GLN A 115 5.546 1.637 -0.680 1.00 0.00 N flip ATOM 0 H GLN A 115 8.202 2.712 -5.652 1.00 0.00 H new ATOM 0 HA GLN A 115 6.198 0.613 -5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 115 6.673 3.137 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 115 5.214 2.170 -3.438 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.573 0.219 -2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 115 8.016 1.211 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.790 1.189 -1.198 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.376 2.003 0.257 1.00 0.00 H new ATOM 1693 N THR A 116 4.947 1.894 -6.857 1.00 0.00 N ATOM 1694 CA THR A 116 4.153 2.642 -7.765 1.00 0.00 C ATOM 1695 C THR A 116 2.721 2.650 -7.261 1.00 0.00 C ATOM 1696 O THR A 116 2.007 1.652 -7.383 1.00 0.00 O ATOM 1697 CB THR A 116 4.200 2.070 -9.189 1.00 0.00 C ATOM 1698 OG1 THR A 116 5.555 1.900 -9.592 1.00 0.00 O ATOM 1699 CG2 THR A 116 3.505 3.000 -10.143 1.00 0.00 C ATOM 0 H THR A 116 4.884 0.881 -6.955 1.00 0.00 H new ATOM 0 HA THR A 116 4.553 3.655 -7.815 1.00 0.00 H new ATOM 0 HB THR A 116 3.693 1.105 -9.200 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.584 1.431 -10.452 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.544 2.584 -11.150 1.00 0.00 H new ATOM 0 HG22 THR A 116 2.465 3.121 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 116 4.001 3.971 -10.131 1.00 0.00 H new ATOM 1707 N TYR A 117 2.296 3.765 -6.694 1.00 0.00 N ATOM 1708 CA TYR A 117 0.940 3.860 -6.216 1.00 0.00 C ATOM 1709 C TYR A 117 0.201 4.986 -6.901 1.00 0.00 C ATOM 1710 O TYR A 117 0.811 5.842 -7.534 1.00 0.00 O ATOM 1711 CB TYR A 117 0.805 3.908 -4.683 1.00 0.00 C ATOM 1712 CG TYR A 117 1.797 4.730 -3.862 1.00 0.00 C ATOM 1713 CD1 TYR A 117 3.138 4.351 -3.703 1.00 0.00 C ATOM 1714 CD2 TYR A 117 1.351 5.843 -3.157 1.00 0.00 C ATOM 1715 CE1 TYR A 117 3.994 5.079 -2.881 1.00 0.00 C ATOM 1716 CE2 TYR A 117 2.196 6.557 -2.331 1.00 0.00 C ATOM 1717 CZ TYR A 117 3.512 6.172 -2.200 1.00 0.00 C ATOM 1718 OH TYR A 117 4.354 6.882 -1.375 1.00 0.00 O ATOM 0 H TYR A 117 2.864 4.601 -6.557 1.00 0.00 H new ATOM 0 HA TYR A 117 0.459 2.922 -6.494 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -0.194 4.281 -4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 117 0.853 2.882 -4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 117 3.512 3.483 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.322 6.155 -3.258 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.029 4.787 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.826 7.415 -1.789 1.00 0.00 H new ATOM 0 HH TYR A 117 4.848 7.543 -1.903 1.00 0.00 H new ATOM 1727 N THR A 118 -1.088 4.760 -7.030 1.00 0.00 N ATOM 1728 CA THR A 118 -1.927 5.454 -7.981 1.00 0.00 C ATOM 1729 C THR A 118 -3.243 5.841 -7.287 1.00 0.00 C ATOM 1730 O THR A 118 -3.410 5.513 -6.113 1.00 0.00 O ATOM 1731 CB THR A 118 -2.128 4.477 -9.172 1.00 0.00 C ATOM 1732 OG1 THR A 118 -0.892 3.781 -9.403 1.00 0.00 O ATOM 1733 CG2 THR A 118 -2.490 5.238 -10.441 1.00 0.00 C ATOM 0 H THR A 118 -1.591 4.075 -6.466 1.00 0.00 H new ATOM 0 HA THR A 118 -1.489 6.381 -8.351 1.00 0.00 H new ATOM 0 HB THR A 118 -2.935 3.786 -8.928 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.002 3.158 -10.152 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.626 4.533 -11.262 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.415 5.792 -10.282 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.688 5.934 -10.689 1.00 0.00 H new ATOM 1741 N TYR A 119 -4.081 6.694 -7.881 1.00 0.00 N ATOM 1742 CA TYR A 119 -5.367 7.015 -7.260 1.00 0.00 C ATOM 1743 C TYR A 119 -6.137 7.868 -8.212 1.00 0.00 C ATOM 1744 O TYR A 119 -5.602 8.879 -8.670 1.00 0.00 O ATOM 1745 CB TYR A 119 -5.222 7.685 -5.883 1.00 0.00 C ATOM 1746 CG TYR A 119 -4.444 8.980 -5.871 1.00 0.00 C ATOM 1747 CD1 TYR A 119 -5.078 10.195 -6.085 1.00 0.00 C ATOM 1748 CD2 TYR A 119 -3.076 8.983 -5.637 1.00 0.00 C ATOM 1749 CE1 TYR A 119 -4.372 11.381 -6.074 1.00 0.00 C ATOM 1750 CE2 TYR A 119 -2.362 10.166 -5.627 1.00 0.00 C ATOM 1751 CZ TYR A 119 -3.016 11.365 -5.847 1.00 0.00 C ATOM 1752 OH TYR A 119 -2.305 12.549 -5.855 1.00 0.00 O ATOM 0 H TYR A 119 -3.899 7.164 -8.768 1.00 0.00 H new ATOM 0 HA TYR A 119 -5.905 6.088 -7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.218 7.876 -5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -4.736 6.983 -5.205 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.143 10.213 -6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -2.563 8.049 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -4.883 12.318 -6.243 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -1.297 10.155 -5.448 1.00 0.00 H new ATOM 0 HH TYR A 119 -1.839 12.657 -5.000 1.00 0.00 H new ATOM 1761 N GLU A 120 -7.287 7.364 -8.656 1.00 0.00 N ATOM 1762 CA GLU A 120 -8.032 7.977 -9.749 1.00 0.00 C ATOM 1763 C GLU A 120 -7.237 7.765 -11.029 1.00 0.00 C ATOM 1764 O GLU A 120 -7.504 6.830 -11.774 1.00 0.00 O ATOM 1765 CB GLU A 120 -8.258 9.468 -9.485 1.00 0.00 C ATOM 1766 CG GLU A 120 -8.670 9.766 -8.052 1.00 0.00 C ATOM 1767 CD GLU A 120 -8.423 11.208 -7.664 1.00 0.00 C ATOM 1768 OE1 GLU A 120 -7.286 11.694 -7.838 1.00 0.00 O ATOM 1769 OE2 GLU A 120 -9.357 11.858 -7.157 1.00 0.00 O ATOM 0 H GLU A 120 -7.724 6.527 -8.271 1.00 0.00 H new ATOM 0 HA GLU A 120 -9.016 7.517 -9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.343 10.014 -9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -9.028 9.838 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -9.728 9.536 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.119 9.112 -7.376 1.00 0.00 H new ATOM 1774 N GLY A 121 -6.079 8.405 -11.072 1.00 0.00 N ATOM 1775 CA GLY A 121 -5.044 7.982 -11.963 1.00 0.00 C ATOM 1776 C GLY A 121 -3.792 8.786 -11.754 1.00 0.00 C ATOM 1777 O GLY A 121 -3.651 9.875 -12.310 1.00 0.00 O ATOM 0 H GLY A 121 -5.846 9.215 -10.497 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.832 6.925 -11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.381 8.088 -12.994 1.00 0.00 H new ATOM 1781 N VAL A 122 -2.845 8.221 -11.032 1.00 0.00 N ATOM 1782 CA VAL A 122 -1.553 8.843 -10.864 1.00 0.00 C ATOM 1783 C VAL A 122 -0.597 7.863 -10.258 1.00 0.00 C ATOM 1784 O VAL A 122 -0.578 7.668 -9.042 1.00 0.00 O ATOM 1785 CB VAL A 122 -1.626 10.116 -9.990 1.00 0.00 C ATOM 1786 CG1 VAL A 122 -2.491 9.866 -8.777 1.00 0.00 C ATOM 1787 CG2 VAL A 122 -0.235 10.599 -9.576 1.00 0.00 C ATOM 0 H VAL A 122 -2.950 7.328 -10.551 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.202 9.146 -11.851 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.078 10.908 -10.588 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.535 10.770 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -3.497 9.595 -9.097 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.066 9.053 -8.188 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -0.329 11.495 -8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.266 9.818 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.351 10.828 -10.466 1.00 0.00 H new ATOM 1797 N GLU A 123 0.271 7.328 -11.073 1.00 0.00 N ATOM 1798 CA GLU A 123 1.279 6.468 -10.545 1.00 0.00 C ATOM 1799 C GLU A 123 2.574 7.229 -10.467 1.00 0.00 C ATOM 1800 O GLU A 123 2.797 8.195 -11.203 1.00 0.00 O ATOM 1801 CB GLU A 123 1.461 5.183 -11.341 1.00 0.00 C ATOM 1802 CG GLU A 123 2.376 5.305 -12.545 1.00 0.00 C ATOM 1803 CD GLU A 123 1.695 5.955 -13.732 1.00 0.00 C ATOM 1804 OE1 GLU A 123 0.729 5.365 -14.262 1.00 0.00 O ATOM 1805 OE2 GLU A 123 2.108 7.063 -14.128 1.00 0.00 O ATOM 0 H GLU A 123 0.297 7.471 -12.083 1.00 0.00 H new ATOM 0 HA GLU A 123 0.956 6.155 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.857 4.414 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.483 4.840 -11.679 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.255 5.889 -12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.728 4.314 -12.831 1.00 0.00 H new ATOM 1810 N ALA A 124 3.338 6.883 -9.479 1.00 0.00 N ATOM 1811 CA ALA A 124 4.545 7.590 -9.154 1.00 0.00 C ATOM 1812 C ALA A 124 5.336 6.718 -8.229 1.00 0.00 C ATOM 1813 O ALA A 124 4.783 5.738 -7.724 1.00 0.00 O ATOM 1814 CB ALA A 124 4.215 8.918 -8.492 1.00 0.00 C ATOM 0 H ALA A 124 3.142 6.092 -8.865 1.00 0.00 H new ATOM 0 HA ALA A 124 5.121 7.809 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA A 124 5.139 9.444 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.619 9.526 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 124 3.650 8.738 -7.577 1.00 0.00 H new ATOM 1820 N LYS A 125 6.650 6.897 -8.197 1.00 0.00 N ATOM 1821 CA LYS A 125 7.520 6.023 -7.411 1.00 0.00 C ATOM 1822 C LYS A 125 8.910 6.640 -7.219 1.00 0.00 C ATOM 1823 O LYS A 125 9.385 7.389 -8.074 1.00 0.00 O ATOM 1824 CB LYS A 125 7.644 4.618 -8.029 1.00 0.00 C ATOM 1825 CG LYS A 125 6.787 4.337 -9.263 1.00 0.00 C ATOM 1826 CD LYS A 125 7.071 5.230 -10.443 1.00 0.00 C ATOM 1827 CE LYS A 125 5.942 5.096 -11.443 1.00 0.00 C ATOM 1828 NZ LYS A 125 5.771 3.690 -11.920 1.00 0.00 N ATOM 0 H LYS A 125 7.138 7.636 -8.703 1.00 0.00 H new ATOM 0 HA LYS A 125 7.049 5.918 -6.434 1.00 0.00 H new ATOM 0 HB2 LYS A 125 8.688 4.453 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 125 7.390 3.885 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 125 6.937 3.300 -9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 125 5.737 4.441 -8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 125 7.165 6.266 -10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 125 8.019 4.954 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.013 5.438 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 125 6.136 5.746 -12.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 4.881 3.610 -12.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 6.568 3.434 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.745 3.047 -11.103 1.00 0.00 H new ATOM 1838 N ARG A 126 9.563 6.294 -6.102 1.00 0.00 N ATOM 1839 CA ARG A 126 10.900 6.781 -5.780 1.00 0.00 C ATOM 1840 C ARG A 126 11.409 5.925 -4.673 1.00 0.00 C ATOM 1841 O ARG A 126 10.816 5.890 -3.643 1.00 0.00 O ATOM 1842 CB ARG A 126 10.889 8.272 -5.354 1.00 0.00 C ATOM 1843 CG ARG A 126 11.113 8.576 -3.872 1.00 0.00 C ATOM 1844 CD ARG A 126 10.062 9.439 -3.255 1.00 0.00 C ATOM 1845 NE ARG A 126 10.030 9.177 -1.837 1.00 0.00 N ATOM 1846 CZ ARG A 126 10.494 9.997 -0.900 1.00 0.00 C ATOM 1847 NH1 ARG A 126 11.036 11.164 -1.231 1.00 0.00 N ATOM 1848 NH2 ARG A 126 10.440 9.630 0.373 1.00 0.00 N ATOM 0 H ARG A 126 9.174 5.667 -5.398 1.00 0.00 H new ATOM 0 HA ARG A 126 11.541 6.723 -6.659 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.657 8.793 -5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 126 9.930 8.700 -5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 126 11.162 7.635 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 126 12.081 9.063 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 126 10.278 10.491 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 126 9.090 9.230 -3.701 1.00 0.00 H new ATOM 0 HE ARG A 126 9.620 8.295 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 126 11.099 11.437 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 126 11.389 11.787 -0.504 1.00 0.00 H new ATOM 0 HH21 ARG A 126 10.045 8.725 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 126 10.794 10.253 1.099 1.00 0.00 H new ATOM 1859 N ILE A 127 12.455 5.189 -4.860 1.00 0.00 N ATOM 1860 CA ILE A 127 12.956 4.387 -3.771 1.00 0.00 C ATOM 1861 C ILE A 127 14.347 3.913 -4.052 1.00 0.00 C ATOM 1862 O ILE A 127 14.591 3.198 -5.018 1.00 0.00 O ATOM 1863 CB ILE A 127 12.125 3.123 -3.410 1.00 0.00 C ATOM 1864 CG1 ILE A 127 10.616 3.274 -3.655 1.00 0.00 C ATOM 1865 CG2 ILE A 127 12.340 2.796 -1.946 1.00 0.00 C ATOM 1866 CD1 ILE A 127 9.827 2.204 -2.966 1.00 0.00 C ATOM 0 H ILE A 127 12.977 5.120 -5.734 1.00 0.00 H new ATOM 0 HA ILE A 127 12.899 5.071 -2.924 1.00 0.00 H new ATOM 0 HB ILE A 127 12.475 2.327 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 127 10.287 4.251 -3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 127 10.417 3.239 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 127 11.761 1.911 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.398 2.604 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.015 3.637 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 127 8.765 2.349 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 127 10.136 1.227 -3.338 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.004 2.256 -1.892 1.00 0.00 H new ATOM 1877 N PHE A 128 15.152 4.028 -3.042 1.00 0.00 N ATOM 1878 CA PHE A 128 16.363 3.283 -3.001 1.00 0.00 C ATOM 1879 C PHE A 128 16.391 2.594 -1.682 1.00 0.00 C ATOM 1880 O PHE A 128 15.541 2.891 -0.846 1.00 0.00 O ATOM 1881 CB PHE A 128 17.573 4.163 -3.261 1.00 0.00 C ATOM 1882 CG PHE A 128 17.646 4.516 -4.705 1.00 0.00 C ATOM 1883 CD1 PHE A 128 18.065 3.565 -5.610 1.00 0.00 C ATOM 1884 CD2 PHE A 128 17.223 5.749 -5.167 1.00 0.00 C ATOM 1885 CE1 PHE A 128 18.085 3.841 -6.962 1.00 0.00 C ATOM 1886 CE2 PHE A 128 17.229 6.034 -6.517 1.00 0.00 C ATOM 1887 CZ PHE A 128 17.665 5.079 -7.419 1.00 0.00 C ATOM 0 H PHE A 128 14.989 4.632 -2.236 1.00 0.00 H new ATOM 0 HA PHE A 128 16.405 2.540 -3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 128 17.509 5.070 -2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 128 18.482 3.643 -2.959 1.00 0.00 H new ATOM 0 HD1 PHE A 128 18.381 2.594 -5.258 1.00 0.00 H new ATOM 0 HD2 PHE A 128 16.885 6.496 -4.464 1.00 0.00 H new ATOM 0 HE1 PHE A 128 18.427 3.093 -7.662 1.00 0.00 H new ATOM 0 HE2 PHE A 128 16.895 6.999 -6.869 1.00 0.00 H new ATOM 0 HZ PHE A 128 17.678 5.299 -8.476 1.00 0.00 H new ATOM 1896 N LYS A 129 16.957 1.427 -1.670 1.00 0.00 N ATOM 1897 CA LYS A 129 16.609 0.530 -0.593 1.00 0.00 C ATOM 1898 C LYS A 129 17.674 -0.464 -0.215 1.00 0.00 C ATOM 1899 O LYS A 129 18.287 -1.115 -1.056 1.00 0.00 O ATOM 1900 CB LYS A 129 15.340 -0.214 -0.929 1.00 0.00 C ATOM 1901 CG LYS A 129 14.075 0.581 -0.654 1.00 0.00 C ATOM 1902 CD LYS A 129 13.062 -0.205 0.134 1.00 0.00 C ATOM 1903 CE LYS A 129 11.764 0.530 0.314 1.00 0.00 C ATOM 1904 NZ LYS A 129 11.930 1.832 1.004 1.00 0.00 N ATOM 0 H LYS A 129 17.630 1.078 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 129 16.479 1.175 0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.361 -0.493 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.309 -1.140 -0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.331 1.489 -0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.633 0.893 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.871 -1.152 -0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.477 -0.445 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 129 11.308 0.697 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 129 11.075 -0.093 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 11.084 2.417 0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 12.059 1.671 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 12.764 2.323 0.623 1.00 0.00 H new ATOM 1914 N LYS A 130 17.668 -0.705 1.081 1.00 0.00 N ATOM 1915 CA LYS A 130 18.402 -1.756 1.739 1.00 0.00 C ATOM 1916 C LYS A 130 19.887 -1.472 1.773 1.00 0.00 C ATOM 1917 O LYS A 130 20.550 -1.346 0.741 1.00 0.00 O ATOM 1918 CB LYS A 130 18.102 -3.113 1.125 1.00 0.00 C ATOM 1919 CG LYS A 130 18.376 -4.241 2.092 1.00 0.00 C ATOM 1920 CD LYS A 130 18.448 -5.590 1.405 1.00 0.00 C ATOM 1921 CE LYS A 130 17.063 -6.115 1.099 1.00 0.00 C ATOM 1922 NZ LYS A 130 16.814 -7.420 1.758 1.00 0.00 N ATOM 0 H LYS A 130 17.122 -0.142 1.733 1.00 0.00 H new ATOM 0 HA LYS A 130 18.062 -1.786 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 130 17.058 -3.148 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 130 18.707 -3.248 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 130 19.316 -4.050 2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 130 17.593 -4.264 2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 130 19.020 -5.502 0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 130 18.977 -6.299 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 130 16.318 -5.392 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 130 16.945 -6.223 0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 15.855 -7.749 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 17.510 -8.117 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 16.902 -7.311 2.788 1.00 0.00 H new ATOM 1932 N GLU A 131 20.378 -1.373 2.989 1.00 0.00 N ATOM 1933 CA GLU A 131 21.767 -1.068 3.261 1.00 0.00 C ATOM 1934 C GLU A 131 21.985 -1.117 4.763 1.00 0.00 C ATOM 1935 O GLU A 131 21.232 -0.431 5.486 1.00 0.00 O ATOM 1936 CB GLU A 131 22.122 0.321 2.720 1.00 0.00 C ATOM 1937 CG GLU A 131 23.592 0.677 2.851 1.00 0.00 C ATOM 1938 CD GLU A 131 23.912 2.051 2.296 1.00 0.00 C ATOM 1939 OE1 GLU A 131 22.989 2.735 1.797 1.00 0.00 O ATOM 1940 OE2 GLU A 131 25.090 2.457 2.356 1.00 0.00 O ATOM 1941 OXT GLU A 131 22.863 -1.875 5.218 1.00 0.00 O ATOM 0 H GLU A 131 19.816 -1.504 3.830 1.00 0.00 H new ATOM 0 HA GLU A 131 22.409 -1.798 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 131 21.838 0.374 1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 131 21.529 1.068 3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 131 23.879 0.638 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 131 24.191 -0.070 2.329 1.00 0.00 H new