USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 594 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 11 THR OG1 : rot 84:sc= 1.04 USER MOD Set 1.2: A 49 THR OG1 : rot 109:sc= 0.671! USER MOD Set 1.3: A 77 ASN : amide:sc= -0.219 K(o=1.5,f=-6!) USER MOD Set 2.1: A 34 ASN : amide:sc= 0.384 K(o=-0.36,f=-10!) USER MOD Set 2.2: A 57 GLN : amide:sc= -2.29! C(o=-0.36!,f=-16!) USER MOD Set 2.3: A 61 THR OG1 : rot -31:sc= 1.55 USER MOD Set 3.1: A 18 THR OG1 : rot -176:sc= 1.23 USER MOD Set 3.2: A 46 LYS NZ :NH3+ -153:sc= 1.17! (180deg=0.621) USER MOD Set 4.1: A 28 GLN : amide:sc= 0.997 K(o=2.1,f=-14!) USER MOD Set 4.2: A 32 LYS NZ :NH3+ 158:sc= 1.11! (180deg=0.18) USER MOD Set 5.1: A 25 THR OG1 : rot 180:sc= -1 USER MOD Set 5.2: A 69 MET CE :methyl -142:sc= -6.73! (180deg=-7.32!) USER MOD Set 6.1: A 13 SER OG : rot 123:sc= 0.154 USER MOD Set 6.2: A 76 HIS : no HE2:sc= -1.37 K(o=-1.2,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.33 (180deg=0.555) USER MOD Single : A 4 SER OG : rot 24:sc= 0.963 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 9 SER OG : rot 27:sc= 0.41 USER MOD Single : A 17 MET CE :methyl 151:sc= -7.38! (180deg=-8.9!) USER MOD Single : A 20 ASN : amide:sc= -0.204 K(o=-0.2,f=-1.2) USER MOD Single : A 29 GLN : amide:sc= -1.17! C(o=-1.2!,f=-6.3!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -5.11! C(o=-6.2!,f=-5.1!) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.78 F(o=-1.6!,f=-0.78) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 1.85 (180deg=1.07) USER MOD Single : A 42 SER OG : rot -30:sc= 1.13 USER MOD Single : A 47 ASN : amide:sc= -2.02 K(o=-2,f=-4.7!) USER MOD Single : A 52 TYR OH : rot 165:sc= -0.993 USER MOD Single : A 55 LYS NZ :NH3+ -150:sc= 0.738 (180deg=-0.796!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -2.24! USER MOD Single : A 60 LYS NZ :NH3+ -133:sc= 0.766 (180deg=0.402) USER MOD Single : A 63 GLN : amide:sc= -0.0994 K(o=-0.099,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.538 -18.292 -7.757 1.00 0.00 N ATOM 2 CA MET A 1 12.077 -19.437 -6.907 1.00 0.00 C ATOM 3 C MET A 1 10.858 -19.022 -6.064 1.00 0.00 C ATOM 4 O MET A 1 9.774 -19.543 -6.237 1.00 0.00 O ATOM 5 CB MET A 1 13.270 -19.776 -5.999 1.00 0.00 C ATOM 6 CG MET A 1 14.324 -20.563 -6.788 1.00 0.00 C ATOM 7 SD MET A 1 15.471 -19.406 -7.578 1.00 0.00 S ATOM 8 CE MET A 1 16.941 -20.460 -7.512 1.00 0.00 C ATOM 0 H1 MET A 1 13.554 -18.393 -7.954 1.00 0.00 H new ATOM 0 H2 MET A 1 12.010 -18.291 -8.653 1.00 0.00 H new ATOM 0 H3 MET A 1 12.370 -17.397 -7.255 1.00 0.00 H new ATOM 0 HA MET A 1 11.770 -20.293 -7.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.709 -18.860 -5.604 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.932 -20.362 -5.144 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.867 -21.233 -6.122 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.841 -21.185 -7.542 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.786 -19.934 -7.955 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.169 -20.702 -6.474 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.755 -21.380 -8.067 1.00 0.00 H new ATOM 20 N ASP A 2 11.036 -18.098 -5.151 1.00 0.00 N ATOM 21 CA ASP A 2 9.900 -17.656 -4.280 1.00 0.00 C ATOM 22 C ASP A 2 9.632 -16.154 -4.441 1.00 0.00 C ATOM 23 O ASP A 2 9.891 -15.374 -3.546 1.00 0.00 O ATOM 24 CB ASP A 2 10.364 -17.985 -2.853 1.00 0.00 C ATOM 25 CG ASP A 2 10.846 -19.436 -2.781 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.025 -20.297 -2.524 1.00 0.00 O ATOM 27 OD2 ASP A 2 12.029 -19.660 -2.987 1.00 0.00 O ATOM 0 H ASP A 2 11.923 -17.628 -4.970 1.00 0.00 H new ATOM 0 HA ASP A 2 8.964 -18.152 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.168 -17.311 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.545 -17.830 -2.151 1.00 0.00 H new ATOM 32 N PRO A 3 9.067 -15.800 -5.573 1.00 0.00 N ATOM 33 CA PRO A 3 8.704 -14.381 -5.820 1.00 0.00 C ATOM 34 C PRO A 3 7.512 -14.021 -4.918 1.00 0.00 C ATOM 35 O PRO A 3 7.244 -12.865 -4.636 1.00 0.00 O ATOM 36 CB PRO A 3 8.316 -14.361 -7.299 1.00 0.00 C ATOM 37 CG PRO A 3 7.903 -15.765 -7.607 1.00 0.00 C ATOM 38 CD PRO A 3 8.713 -16.664 -6.709 1.00 0.00 C ATOM 0 HA PRO A 3 9.497 -13.665 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.502 -13.660 -7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.154 -14.050 -7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.836 -15.902 -7.430 1.00 0.00 H new ATOM 0 HG3 PRO A 3 8.085 -16.000 -8.656 1.00 0.00 H new ATOM 0 HD2 PRO A 3 8.137 -17.532 -6.387 1.00 0.00 H new ATOM 0 HD3 PRO A 3 9.601 -17.041 -7.216 1.00 0.00 H new ATOM 46 N SER A 4 6.804 -15.029 -4.452 1.00 0.00 N ATOM 47 CA SER A 4 5.630 -14.814 -3.550 1.00 0.00 C ATOM 48 C SER A 4 5.056 -16.174 -3.128 1.00 0.00 C ATOM 49 O SER A 4 3.857 -16.360 -3.086 1.00 0.00 O ATOM 50 CB SER A 4 4.597 -14.030 -4.370 1.00 0.00 C ATOM 51 OG SER A 4 4.848 -12.634 -4.241 1.00 0.00 O ATOM 0 H SER A 4 6.998 -16.007 -4.665 1.00 0.00 H new ATOM 0 HA SER A 4 5.905 -14.271 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.650 -14.324 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.590 -14.263 -4.024 1.00 0.00 H new ATOM 0 HG SER A 4 5.787 -12.491 -3.998 1.00 0.00 H new ATOM 57 N MET A 5 5.916 -17.132 -2.837 1.00 0.00 N ATOM 58 CA MET A 5 5.444 -18.504 -2.434 1.00 0.00 C ATOM 59 C MET A 5 4.205 -18.452 -1.519 1.00 0.00 C ATOM 60 O MET A 5 3.298 -19.249 -1.663 1.00 0.00 O ATOM 61 CB MET A 5 6.631 -19.134 -1.695 1.00 0.00 C ATOM 62 CG MET A 5 6.766 -20.603 -2.106 1.00 0.00 C ATOM 63 SD MET A 5 6.142 -21.663 -0.778 1.00 0.00 S ATOM 64 CE MET A 5 6.730 -23.237 -1.452 1.00 0.00 C ATOM 0 H MET A 5 6.930 -17.020 -2.862 1.00 0.00 H new ATOM 0 HA MET A 5 5.138 -19.081 -3.307 1.00 0.00 H new ATOM 0 HB2 MET A 5 7.548 -18.594 -1.930 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.484 -19.059 -0.618 1.00 0.00 H new ATOM 0 HG2 MET A 5 6.209 -20.787 -3.025 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.810 -20.839 -2.314 1.00 0.00 H new ATOM 0 HE1 MET A 5 6.450 -24.048 -0.780 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.280 -23.405 -2.431 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.815 -23.207 -1.552 1.00 0.00 H new ATOM 74 N GLY A 6 4.154 -17.535 -0.581 1.00 0.00 N ATOM 75 CA GLY A 6 2.965 -17.465 0.327 1.00 0.00 C ATOM 76 C GLY A 6 2.590 -16.010 0.639 1.00 0.00 C ATOM 77 O GLY A 6 2.350 -15.670 1.788 1.00 0.00 O ATOM 0 H GLY A 6 4.878 -16.838 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.118 -17.970 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.181 -17.995 1.255 1.00 0.00 H new ATOM 81 N VAL A 7 2.516 -15.159 -0.362 1.00 0.00 N ATOM 82 CA VAL A 7 2.127 -13.722 -0.120 1.00 0.00 C ATOM 83 C VAL A 7 1.216 -13.217 -1.254 1.00 0.00 C ATOM 84 O VAL A 7 0.945 -13.929 -2.202 1.00 0.00 O ATOM 85 CB VAL A 7 3.436 -12.912 -0.075 1.00 0.00 C ATOM 86 CG1 VAL A 7 4.068 -13.032 1.314 1.00 0.00 C ATOM 87 CG2 VAL A 7 4.424 -13.427 -1.124 1.00 0.00 C ATOM 0 H VAL A 7 2.707 -15.394 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 7 1.572 -13.616 0.812 1.00 0.00 H new ATOM 0 HB VAL A 7 3.205 -11.868 -0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.994 -12.458 1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.377 -12.645 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.283 -14.079 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.343 -12.842 -1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.650 -14.475 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.984 -13.331 -2.116 1.00 0.00 H new ATOM 97 N ASN A 8 0.733 -11.999 -1.164 1.00 0.00 N ATOM 98 CA ASN A 8 -0.164 -11.464 -2.245 1.00 0.00 C ATOM 99 C ASN A 8 0.222 -10.029 -2.620 1.00 0.00 C ATOM 100 O ASN A 8 0.959 -9.373 -1.912 1.00 0.00 O ATOM 101 CB ASN A 8 -1.574 -11.497 -1.649 1.00 0.00 C ATOM 102 CG ASN A 8 -2.415 -12.535 -2.390 1.00 0.00 C ATOM 103 OD1 ASN A 8 -3.457 -12.218 -2.917 1.00 0.00 O ATOM 104 ND2 ASN A 8 -2.005 -13.768 -2.460 1.00 0.00 N ATOM 0 H ASN A 8 0.918 -11.355 -0.395 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.088 -12.055 -3.158 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.526 -11.742 -0.588 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.037 -10.514 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.561 -14.463 -2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.127 -14.039 -2.017 1.00 0.00 H new ATOM 111 N SER A 9 -0.278 -9.532 -3.728 1.00 0.00 N ATOM 112 CA SER A 9 0.062 -8.131 -4.147 1.00 0.00 C ATOM 113 C SER A 9 -1.172 -7.224 -4.120 1.00 0.00 C ATOM 114 O SER A 9 -2.287 -7.668 -4.301 1.00 0.00 O ATOM 115 CB SER A 9 0.612 -8.250 -5.568 1.00 0.00 C ATOM 116 OG SER A 9 1.006 -6.962 -6.033 1.00 0.00 O ATOM 0 H SER A 9 -0.904 -10.033 -4.359 1.00 0.00 H new ATOM 0 HA SER A 9 0.785 -7.681 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.463 -8.931 -5.584 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.146 -8.671 -6.229 1.00 0.00 H new ATOM 0 HG SER A 9 1.250 -6.399 -5.269 1.00 0.00 H new ATOM 122 N VAL A 10 -0.966 -5.951 -3.877 1.00 0.00 N ATOM 123 CA VAL A 10 -2.113 -4.991 -3.814 1.00 0.00 C ATOM 124 C VAL A 10 -1.707 -3.624 -4.397 1.00 0.00 C ATOM 125 O VAL A 10 -0.680 -3.069 -4.043 1.00 0.00 O ATOM 126 CB VAL A 10 -2.448 -4.900 -2.312 1.00 0.00 C ATOM 127 CG1 VAL A 10 -2.747 -3.452 -1.904 1.00 0.00 C ATOM 128 CG2 VAL A 10 -3.681 -5.756 -2.022 1.00 0.00 C ATOM 0 H VAL A 10 -0.048 -5.535 -3.719 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.973 -5.314 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.589 -5.256 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.980 -3.415 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.875 -2.830 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.598 -3.081 -2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.924 -5.696 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.524 -5.390 -2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.475 -6.792 -2.290 1.00 0.00 H new ATOM 138 N THR A 11 -2.508 -3.092 -5.292 1.00 0.00 N ATOM 139 CA THR A 11 -2.196 -1.772 -5.920 1.00 0.00 C ATOM 140 C THR A 11 -3.162 -0.694 -5.417 1.00 0.00 C ATOM 141 O THR A 11 -4.370 -0.813 -5.538 1.00 0.00 O ATOM 142 CB THR A 11 -2.368 -2.002 -7.421 1.00 0.00 C ATOM 143 OG1 THR A 11 -1.477 -3.029 -7.841 1.00 0.00 O ATOM 144 CG2 THR A 11 -2.038 -0.720 -8.169 1.00 0.00 C ATOM 0 H THR A 11 -3.374 -3.523 -5.616 1.00 0.00 H new ATOM 0 HA THR A 11 -1.193 -1.424 -5.674 1.00 0.00 H new ATOM 0 HB THR A 11 -3.397 -2.295 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.883 -3.904 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.160 -0.882 -9.240 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.709 0.074 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.008 -0.432 -7.961 1.00 0.00 H new ATOM 152 N ILE A 12 -2.632 0.351 -4.838 1.00 0.00 N ATOM 153 CA ILE A 12 -3.502 1.438 -4.298 1.00 0.00 C ATOM 154 C ILE A 12 -3.384 2.715 -5.141 1.00 0.00 C ATOM 155 O ILE A 12 -2.316 3.287 -5.274 1.00 0.00 O ATOM 156 CB ILE A 12 -2.973 1.701 -2.881 1.00 0.00 C ATOM 157 CG1 ILE A 12 -2.996 0.405 -2.062 1.00 0.00 C ATOM 158 CG2 ILE A 12 -3.850 2.752 -2.196 1.00 0.00 C ATOM 159 CD1 ILE A 12 -2.066 0.542 -0.855 1.00 0.00 C ATOM 0 H ILE A 12 -1.630 0.499 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.553 1.150 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.947 2.064 -2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.012 0.192 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.682 -0.434 -2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.475 2.939 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.825 3.678 -2.771 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.876 2.389 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.084 -0.381 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.050 0.734 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.400 1.370 -0.230 1.00 0.00 H new ATOM 171 N SER A 13 -4.481 3.188 -5.682 1.00 0.00 N ATOM 172 CA SER A 13 -4.432 4.459 -6.474 1.00 0.00 C ATOM 173 C SER A 13 -4.196 5.611 -5.494 1.00 0.00 C ATOM 174 O SER A 13 -4.828 5.677 -4.453 1.00 0.00 O ATOM 175 CB SER A 13 -5.803 4.609 -7.145 1.00 0.00 C ATOM 176 OG SER A 13 -6.284 3.335 -7.555 1.00 0.00 O ATOM 0 H SER A 13 -5.401 2.754 -5.611 1.00 0.00 H new ATOM 0 HA SER A 13 -3.640 4.457 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.508 5.068 -6.452 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.725 5.272 -8.006 1.00 0.00 H new ATOM 0 HG SER A 13 -7.158 3.168 -7.145 1.00 0.00 H new ATOM 182 N VAL A 14 -3.287 6.499 -5.788 1.00 0.00 N ATOM 183 CA VAL A 14 -3.010 7.617 -4.839 1.00 0.00 C ATOM 184 C VAL A 14 -3.099 8.976 -5.546 1.00 0.00 C ATOM 185 O VAL A 14 -3.002 9.069 -6.755 1.00 0.00 O ATOM 186 CB VAL A 14 -1.575 7.393 -4.328 1.00 0.00 C ATOM 187 CG1 VAL A 14 -1.401 8.088 -2.976 1.00 0.00 C ATOM 188 CG2 VAL A 14 -1.291 5.899 -4.151 1.00 0.00 C ATOM 0 H VAL A 14 -2.726 6.500 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.739 7.627 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.881 7.806 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.385 7.930 -2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.583 9.157 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.110 7.673 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.272 5.763 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.991 5.478 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.407 5.391 -5.108 1.00 0.00 H new ATOM 198 N GLU A 15 -3.258 10.033 -4.789 1.00 0.00 N ATOM 199 CA GLU A 15 -3.325 11.394 -5.396 1.00 0.00 C ATOM 200 C GLU A 15 -2.964 12.468 -4.362 1.00 0.00 C ATOM 201 O GLU A 15 -3.045 12.248 -3.167 1.00 0.00 O ATOM 202 CB GLU A 15 -4.766 11.570 -5.884 1.00 0.00 C ATOM 203 CG GLU A 15 -4.758 11.823 -7.401 1.00 0.00 C ATOM 204 CD GLU A 15 -4.105 13.176 -7.712 1.00 0.00 C ATOM 205 OE1 GLU A 15 -2.894 13.280 -7.576 1.00 0.00 O ATOM 206 OE2 GLU A 15 -4.827 14.085 -8.081 1.00 0.00 O ATOM 0 H GLU A 15 -3.344 10.010 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.614 11.499 -6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.352 10.680 -5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.239 12.405 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.215 11.025 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.778 11.807 -7.785 1.00 0.00 H new ATOM 213 N GLY A 16 -2.564 13.628 -4.819 1.00 0.00 N ATOM 214 CA GLY A 16 -2.190 14.730 -3.878 1.00 0.00 C ATOM 215 C GLY A 16 -0.829 14.442 -3.223 1.00 0.00 C ATOM 216 O GLY A 16 -0.516 14.979 -2.180 1.00 0.00 O ATOM 0 H GLY A 16 -2.480 13.861 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.148 15.677 -4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.955 14.834 -3.109 1.00 0.00 H new ATOM 220 N MET A 17 -0.015 13.599 -3.819 1.00 0.00 N ATOM 221 CA MET A 17 1.321 13.285 -3.214 1.00 0.00 C ATOM 222 C MET A 17 2.447 13.458 -4.253 1.00 0.00 C ATOM 223 O MET A 17 3.475 12.811 -4.180 1.00 0.00 O ATOM 224 CB MET A 17 1.257 11.816 -2.734 1.00 0.00 C ATOM 225 CG MET A 17 -0.043 11.122 -3.171 1.00 0.00 C ATOM 226 SD MET A 17 0.075 10.649 -4.914 1.00 0.00 S ATOM 227 CE MET A 17 1.499 9.545 -4.752 1.00 0.00 C ATOM 0 H MET A 17 -0.218 13.117 -4.695 1.00 0.00 H new ATOM 0 HA MET A 17 1.538 13.962 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.111 11.268 -3.131 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.336 11.786 -1.647 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.220 10.240 -2.556 1.00 0.00 H new ATOM 0 HG3 MET A 17 -0.891 11.790 -3.022 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.449 8.772 -5.518 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.419 10.117 -4.874 1.00 0.00 H new ATOM 0 HE3 MET A 17 1.489 9.080 -3.766 1.00 0.00 H new ATOM 237 N THR A 18 2.269 14.332 -5.211 1.00 0.00 N ATOM 238 CA THR A 18 3.317 14.553 -6.263 1.00 0.00 C ATOM 239 C THR A 18 4.542 15.286 -5.685 1.00 0.00 C ATOM 240 O THR A 18 5.025 16.245 -6.254 1.00 0.00 O ATOM 241 CB THR A 18 2.638 15.414 -7.344 1.00 0.00 C ATOM 242 OG1 THR A 18 1.325 14.918 -7.610 1.00 0.00 O ATOM 243 CG2 THR A 18 3.456 15.361 -8.634 1.00 0.00 C ATOM 0 H THR A 18 1.435 14.910 -5.313 1.00 0.00 H new ATOM 0 HA THR A 18 3.683 13.607 -6.662 1.00 0.00 H new ATOM 0 HB THR A 18 2.576 16.442 -6.986 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.923 15.432 -8.342 1.00 0.00 H new ATOM 0 HG21 THR A 18 2.973 15.971 -9.397 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.459 15.744 -8.445 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.521 14.330 -8.982 1.00 0.00 H new ATOM 251 N CYS A 19 5.065 14.830 -4.572 1.00 0.00 N ATOM 252 CA CYS A 19 6.269 15.489 -3.984 1.00 0.00 C ATOM 253 C CYS A 19 7.081 14.443 -3.215 1.00 0.00 C ATOM 254 O CYS A 19 6.580 13.837 -2.277 1.00 0.00 O ATOM 255 CB CYS A 19 5.726 16.608 -3.073 1.00 0.00 C ATOM 256 SG CYS A 19 6.311 16.391 -1.371 1.00 0.00 S ATOM 0 H CYS A 19 4.709 14.031 -4.048 1.00 0.00 H new ATOM 0 HA CYS A 19 6.940 15.915 -4.730 1.00 0.00 H new ATOM 0 HB2 CYS A 19 6.046 17.579 -3.451 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.636 16.602 -3.092 1.00 0.00 H new ATOM 261 N ASN A 20 8.312 14.225 -3.648 1.00 0.00 N ATOM 262 CA ASN A 20 9.252 13.209 -3.034 1.00 0.00 C ATOM 263 C ASN A 20 8.791 12.718 -1.654 1.00 0.00 C ATOM 264 O ASN A 20 8.703 11.529 -1.407 1.00 0.00 O ATOM 265 CB ASN A 20 10.595 13.948 -2.906 1.00 0.00 C ATOM 266 CG ASN A 20 11.089 14.390 -4.287 1.00 0.00 C ATOM 267 OD1 ASN A 20 10.732 13.814 -5.291 1.00 0.00 O ATOM 268 ND2 ASN A 20 11.898 15.403 -4.381 1.00 0.00 N ATOM 0 H ASN A 20 8.720 14.731 -4.434 1.00 0.00 H new ATOM 0 HA ASN A 20 9.304 12.314 -3.654 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.480 14.817 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.334 13.297 -2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.228 15.709 -5.296 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.202 15.892 -3.539 1.00 0.00 H new ATOM 275 N SER A 21 8.498 13.623 -0.758 1.00 0.00 N ATOM 276 CA SER A 21 8.046 13.224 0.612 1.00 0.00 C ATOM 277 C SER A 21 6.865 12.220 0.591 1.00 0.00 C ATOM 278 O SER A 21 6.563 11.593 1.578 1.00 0.00 O ATOM 279 CB SER A 21 7.616 14.533 1.288 1.00 0.00 C ATOM 280 OG SER A 21 6.231 14.777 1.034 1.00 0.00 O ATOM 0 H SER A 21 8.552 14.629 -0.916 1.00 0.00 H new ATOM 0 HA SER A 21 8.849 12.712 1.142 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.793 14.474 2.362 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.216 15.362 0.911 1.00 0.00 H new ATOM 286 N CYS A 22 6.195 12.032 -0.508 1.00 0.00 N ATOM 287 CA CYS A 22 5.058 11.060 -0.490 1.00 0.00 C ATOM 288 C CYS A 22 5.537 9.661 -0.889 1.00 0.00 C ATOM 289 O CYS A 22 4.957 8.662 -0.510 1.00 0.00 O ATOM 290 CB CYS A 22 4.054 11.631 -1.487 1.00 0.00 C ATOM 291 SG CYS A 22 3.616 13.313 -0.976 1.00 0.00 S ATOM 0 H CYS A 22 6.374 12.493 -1.400 1.00 0.00 H new ATOM 0 HA CYS A 22 4.615 10.942 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.481 11.640 -2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.163 11.004 -1.526 1.00 0.00 H new ATOM 296 N VAL A 23 6.612 9.588 -1.629 1.00 0.00 N ATOM 297 CA VAL A 23 7.154 8.267 -2.050 1.00 0.00 C ATOM 298 C VAL A 23 8.103 7.755 -0.986 1.00 0.00 C ATOM 299 O VAL A 23 8.158 6.573 -0.720 1.00 0.00 O ATOM 300 CB VAL A 23 7.891 8.507 -3.380 1.00 0.00 C ATOM 301 CG1 VAL A 23 9.321 9.000 -3.137 1.00 0.00 C ATOM 302 CG2 VAL A 23 7.954 7.198 -4.167 1.00 0.00 C ATOM 0 H VAL A 23 7.140 10.395 -1.961 1.00 0.00 H new ATOM 0 HA VAL A 23 6.370 7.521 -2.178 1.00 0.00 H new ATOM 0 HB VAL A 23 7.345 9.267 -3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.818 9.161 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.293 9.937 -2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.871 8.253 -2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.475 7.365 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.489 6.448 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.942 6.846 -4.369 1.00 0.00 H new ATOM 312 N TRP A 24 8.834 8.632 -0.343 1.00 0.00 N ATOM 313 CA TRP A 24 9.748 8.125 0.723 1.00 0.00 C ATOM 314 C TRP A 24 8.947 7.920 2.015 1.00 0.00 C ATOM 315 O TRP A 24 9.315 7.123 2.853 1.00 0.00 O ATOM 316 CB TRP A 24 10.909 9.144 0.842 1.00 0.00 C ATOM 317 CG TRP A 24 11.067 9.643 2.246 1.00 0.00 C ATOM 318 CD1 TRP A 24 12.062 9.318 3.107 1.00 0.00 C ATOM 319 CD2 TRP A 24 10.217 10.576 2.940 1.00 0.00 C ATOM 320 NE1 TRP A 24 11.855 10.002 4.299 1.00 0.00 N ATOM 321 CE2 TRP A 24 10.721 10.794 4.236 1.00 0.00 C ATOM 322 CE3 TRP A 24 9.061 11.238 2.554 1.00 0.00 C ATOM 323 CZ2 TRP A 24 10.080 11.662 5.125 1.00 0.00 C ATOM 324 CZ3 TRP A 24 8.407 12.108 3.424 1.00 0.00 C ATOM 325 CH2 TRP A 24 8.911 12.326 4.716 1.00 0.00 C ATOM 0 H TRP A 24 8.840 9.640 -0.502 1.00 0.00 H new ATOM 0 HA TRP A 24 10.182 7.152 0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.838 8.677 0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.724 9.986 0.175 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.878 8.641 2.901 1.00 0.00 H new ATOM 0 HE1 TRP A 24 12.461 9.930 5.116 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.662 11.077 1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.479 11.821 6.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.510 12.616 3.103 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.404 12.999 5.391 1.00 0.00 H new ATOM 336 N THR A 25 7.828 8.590 2.166 1.00 0.00 N ATOM 337 CA THR A 25 7.007 8.368 3.406 1.00 0.00 C ATOM 338 C THR A 25 6.025 7.190 3.211 1.00 0.00 C ATOM 339 O THR A 25 5.623 6.545 4.160 1.00 0.00 O ATOM 340 CB THR A 25 6.262 9.689 3.654 1.00 0.00 C ATOM 341 OG1 THR A 25 6.166 9.918 5.051 1.00 0.00 O ATOM 342 CG2 THR A 25 4.855 9.645 3.052 1.00 0.00 C ATOM 0 H THR A 25 7.452 9.267 1.502 1.00 0.00 H new ATOM 0 HA THR A 25 7.629 8.102 4.261 1.00 0.00 H new ATOM 0 HB THR A 25 6.819 10.496 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.693 10.761 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.349 10.592 3.241 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.924 9.479 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.289 8.833 3.509 1.00 0.00 H new ATOM 350 N ILE A 26 5.658 6.887 1.985 1.00 0.00 N ATOM 351 CA ILE A 26 4.713 5.741 1.732 1.00 0.00 C ATOM 352 C ILE A 26 5.512 4.465 1.464 1.00 0.00 C ATOM 353 O ILE A 26 5.064 3.365 1.738 1.00 0.00 O ATOM 354 CB ILE A 26 3.889 6.136 0.497 1.00 0.00 C ATOM 355 CG1 ILE A 26 2.848 7.192 0.885 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.164 4.906 -0.057 1.00 0.00 C ATOM 357 CD1 ILE A 26 1.752 6.557 1.749 1.00 0.00 C ATOM 0 H ILE A 26 5.970 7.381 1.149 1.00 0.00 H new ATOM 0 HA ILE A 26 4.066 5.548 2.588 1.00 0.00 H new ATOM 0 HB ILE A 26 4.560 6.541 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.328 8.004 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.408 7.628 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.581 5.191 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.896 4.149 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.499 4.502 0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.017 7.315 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.262 5.761 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.196 6.143 2.654 1.00 0.00 H new ATOM 369 N GLU A 27 6.709 4.614 0.974 1.00 0.00 N ATOM 370 CA GLU A 27 7.573 3.432 0.726 1.00 0.00 C ATOM 371 C GLU A 27 8.153 3.018 2.061 1.00 0.00 C ATOM 372 O GLU A 27 8.220 1.848 2.392 1.00 0.00 O ATOM 373 CB GLU A 27 8.674 3.921 -0.224 1.00 0.00 C ATOM 374 CG GLU A 27 9.725 2.817 -0.424 1.00 0.00 C ATOM 375 CD GLU A 27 10.784 2.890 0.680 1.00 0.00 C ATOM 376 OE1 GLU A 27 11.396 3.936 0.826 1.00 0.00 O ATOM 377 OE2 GLU A 27 10.967 1.898 1.362 1.00 0.00 O ATOM 0 H GLU A 27 7.128 5.512 0.733 1.00 0.00 H new ATOM 0 HA GLU A 27 7.048 2.581 0.291 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.240 4.199 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.147 4.815 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.243 1.839 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.198 2.927 -1.400 1.00 0.00 H new ATOM 384 N GLN A 28 8.528 3.988 2.856 1.00 0.00 N ATOM 385 CA GLN A 28 9.072 3.660 4.199 1.00 0.00 C ATOM 386 C GLN A 28 7.944 3.135 5.086 1.00 0.00 C ATOM 387 O GLN A 28 8.155 2.266 5.920 1.00 0.00 O ATOM 388 CB GLN A 28 9.640 4.973 4.744 1.00 0.00 C ATOM 389 CG GLN A 28 11.026 5.223 4.136 1.00 0.00 C ATOM 390 CD GLN A 28 11.932 4.025 4.411 1.00 0.00 C ATOM 391 OE1 GLN A 28 12.160 3.672 5.552 1.00 0.00 O ATOM 392 NE2 GLN A 28 12.444 3.362 3.417 1.00 0.00 N ATOM 0 H GLN A 28 8.480 4.982 2.632 1.00 0.00 H new ATOM 0 HA GLN A 28 9.842 2.889 4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.971 5.799 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.711 4.928 5.831 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.939 5.386 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.463 6.127 4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.256 3.654 2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.034 2.550 3.596 1.00 0.00 H new ATOM 401 N GLN A 29 6.743 3.644 4.903 1.00 0.00 N ATOM 402 CA GLN A 29 5.600 3.160 5.738 1.00 0.00 C ATOM 403 C GLN A 29 5.128 1.776 5.259 1.00 0.00 C ATOM 404 O GLN A 29 5.198 0.804 5.990 1.00 0.00 O ATOM 405 CB GLN A 29 4.496 4.216 5.576 1.00 0.00 C ATOM 406 CG GLN A 29 3.260 3.814 6.402 1.00 0.00 C ATOM 407 CD GLN A 29 3.618 3.738 7.892 1.00 0.00 C ATOM 408 OE1 GLN A 29 4.502 3.005 8.284 1.00 0.00 O ATOM 409 NE2 GLN A 29 2.960 4.457 8.751 1.00 0.00 N ATOM 0 H GLN A 29 6.511 4.364 4.219 1.00 0.00 H new ATOM 0 HA GLN A 29 5.880 3.040 6.784 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.861 5.190 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.225 4.313 4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.461 4.539 6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.884 2.849 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.215 5.077 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.189 4.402 9.744 1.00 0.00 H new ATOM 418 N ILE A 30 4.658 1.671 4.038 1.00 0.00 N ATOM 419 CA ILE A 30 4.195 0.334 3.532 1.00 0.00 C ATOM 420 C ILE A 30 5.364 -0.663 3.548 1.00 0.00 C ATOM 421 O ILE A 30 5.248 -1.751 4.081 1.00 0.00 O ATOM 422 CB ILE A 30 3.682 0.579 2.102 1.00 0.00 C ATOM 423 CG1 ILE A 30 2.337 1.313 2.165 1.00 0.00 C ATOM 424 CG2 ILE A 30 3.483 -0.759 1.383 1.00 0.00 C ATOM 425 CD1 ILE A 30 1.856 1.638 0.748 1.00 0.00 C ATOM 0 H ILE A 30 4.575 2.442 3.375 1.00 0.00 H new ATOM 0 HA ILE A 30 3.409 -0.094 4.154 1.00 0.00 H new ATOM 0 HB ILE A 30 4.412 1.179 1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.599 0.695 2.677 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.440 2.231 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.120 -0.578 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.432 -1.292 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.755 -1.360 1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.900 2.159 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.590 2.273 0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.735 0.713 0.184 1.00 0.00 H new ATOM 437 N GLY A 31 6.493 -0.292 2.985 1.00 0.00 N ATOM 438 CA GLY A 31 7.682 -1.206 2.972 1.00 0.00 C ATOM 439 C GLY A 31 7.933 -1.798 4.370 1.00 0.00 C ATOM 440 O GLY A 31 8.198 -2.978 4.503 1.00 0.00 O ATOM 0 H GLY A 31 6.641 0.610 2.532 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.519 -2.011 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.564 -0.658 2.641 1.00 0.00 H new ATOM 444 N LYS A 32 7.864 -0.997 5.413 1.00 0.00 N ATOM 445 CA LYS A 32 8.117 -1.545 6.788 1.00 0.00 C ATOM 446 C LYS A 32 6.823 -1.689 7.611 1.00 0.00 C ATOM 447 O LYS A 32 6.874 -1.823 8.819 1.00 0.00 O ATOM 448 CB LYS A 32 9.056 -0.531 7.442 1.00 0.00 C ATOM 449 CG LYS A 32 10.506 -0.906 7.122 1.00 0.00 C ATOM 450 CD LYS A 32 11.213 0.280 6.463 1.00 0.00 C ATOM 451 CE LYS A 32 11.623 1.293 7.536 1.00 0.00 C ATOM 452 NZ LYS A 32 10.848 2.530 7.225 1.00 0.00 N ATOM 0 H LYS A 32 7.646 -0.001 5.372 1.00 0.00 H new ATOM 0 HA LYS A 32 8.540 -2.548 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.838 0.472 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.901 -0.517 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.028 -1.191 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.530 -1.770 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.092 -0.064 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.552 0.752 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.391 0.924 8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.696 1.483 7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.775 3.118 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.334 3.065 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.894 2.270 6.901 1.00 0.00 H new ATOM 466 N VAL A 33 5.671 -1.666 6.984 1.00 0.00 N ATOM 467 CA VAL A 33 4.391 -1.802 7.759 1.00 0.00 C ATOM 468 C VAL A 33 4.279 -3.198 8.403 1.00 0.00 C ATOM 469 O VAL A 33 3.871 -3.328 9.541 1.00 0.00 O ATOM 470 CB VAL A 33 3.270 -1.554 6.728 1.00 0.00 C ATOM 471 CG1 VAL A 33 2.423 -2.816 6.507 1.00 0.00 C ATOM 472 CG2 VAL A 33 2.363 -0.433 7.235 1.00 0.00 C ATOM 0 H VAL A 33 5.559 -1.560 5.976 1.00 0.00 H new ATOM 0 HA VAL A 33 4.334 -1.095 8.587 1.00 0.00 H new ATOM 0 HB VAL A 33 3.733 -1.278 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.643 -2.607 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.059 -3.621 6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.965 -3.117 7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.568 -0.252 6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.925 -0.723 8.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.948 0.477 7.366 1.00 0.00 H new ATOM 482 N ASN A 34 4.634 -4.237 7.685 1.00 0.00 N ATOM 483 CA ASN A 34 4.540 -5.620 8.260 1.00 0.00 C ATOM 484 C ASN A 34 5.379 -6.612 7.436 1.00 0.00 C ATOM 485 O ASN A 34 6.459 -7.001 7.833 1.00 0.00 O ATOM 486 CB ASN A 34 3.046 -5.984 8.191 1.00 0.00 C ATOM 487 CG ASN A 34 2.469 -6.090 9.603 1.00 0.00 C ATOM 488 OD1 ASN A 34 1.405 -5.574 9.879 1.00 0.00 O ATOM 489 ND2 ASN A 34 3.122 -6.753 10.512 1.00 0.00 N ATOM 0 H ASN A 34 4.984 -4.189 6.728 1.00 0.00 H new ATOM 0 HA ASN A 34 4.924 -5.663 9.279 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.504 -5.227 7.624 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.917 -6.930 7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.740 -6.838 11.454 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.016 -7.187 10.283 1.00 0.00 H new ATOM 496 N GLY A 35 4.886 -7.017 6.292 1.00 0.00 N ATOM 497 CA GLY A 35 5.640 -7.979 5.432 1.00 0.00 C ATOM 498 C GLY A 35 5.457 -7.579 3.972 1.00 0.00 C ATOM 499 O GLY A 35 4.719 -8.203 3.238 1.00 0.00 O ATOM 0 H GLY A 35 3.986 -6.720 5.915 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.698 -7.972 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.278 -8.994 5.594 1.00 0.00 H new ATOM 503 N VAL A 36 6.136 -6.547 3.549 1.00 0.00 N ATOM 504 CA VAL A 36 6.029 -6.093 2.146 1.00 0.00 C ATOM 505 C VAL A 36 7.268 -6.553 1.406 1.00 0.00 C ATOM 506 O VAL A 36 8.289 -5.896 1.365 1.00 0.00 O ATOM 507 CB VAL A 36 5.934 -4.565 2.190 1.00 0.00 C ATOM 508 CG1 VAL A 36 6.150 -3.996 0.785 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.544 -4.159 2.674 1.00 0.00 C ATOM 0 H VAL A 36 6.768 -5.996 4.130 1.00 0.00 H new ATOM 0 HA VAL A 36 5.158 -6.500 1.632 1.00 0.00 H new ATOM 0 HB VAL A 36 6.695 -4.177 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.082 -2.909 0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.136 -4.287 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.386 -4.387 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.473 -3.072 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.792 -4.551 1.990 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.374 -4.564 3.672 1.00 0.00 H new ATOM 519 N HIS A 37 7.162 -7.698 0.838 1.00 0.00 N ATOM 520 CA HIS A 37 8.311 -8.294 0.073 1.00 0.00 C ATOM 521 C HIS A 37 8.695 -7.393 -1.122 1.00 0.00 C ATOM 522 O HIS A 37 9.743 -7.548 -1.717 1.00 0.00 O ATOM 523 CB HIS A 37 7.805 -9.663 -0.408 1.00 0.00 C ATOM 524 CG HIS A 37 7.424 -10.511 0.778 1.00 0.00 C ATOM 525 ND1 HIS A 37 6.307 -10.522 1.582 1.00 0.00 N flip ATOM 526 CD2 HIS A 37 8.250 -11.506 1.271 1.00 0.00 C flip ATOM 527 CE1 HIS A 37 6.439 -11.504 2.556 1.00 0.00 C flip ATOM 528 NE2 HIS A 37 7.626 -12.068 2.324 1.00 0.00 N flip ATOM 0 H HIS A 37 6.320 -8.274 0.860 1.00 0.00 H new ATOM 0 HA HIS A 37 9.207 -8.388 0.686 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.945 -9.533 -1.065 1.00 0.00 H new ATOM 0 HB3 HIS A 37 8.579 -10.163 -0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 37 9.219 -11.782 0.882 1.00 0.00 H new ATOM 0 HE1 HIS A 37 5.733 -11.756 3.333 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.014 -12.832 2.877 1.00 0.00 H new ATOM 536 N HIS A 38 7.842 -6.458 -1.469 1.00 0.00 N ATOM 537 CA HIS A 38 8.113 -5.533 -2.608 1.00 0.00 C ATOM 538 C HIS A 38 7.045 -4.421 -2.611 1.00 0.00 C ATOM 539 O HIS A 38 5.862 -4.691 -2.693 1.00 0.00 O ATOM 540 CB HIS A 38 8.031 -6.416 -3.863 1.00 0.00 C ATOM 541 CG HIS A 38 8.024 -5.560 -5.092 1.00 0.00 C ATOM 542 ND1 HIS A 38 7.106 -4.670 -5.566 1.00 0.00 N flip ATOM 543 CD2 HIS A 38 9.063 -5.563 -6.004 1.00 0.00 C flip ATOM 544 CE1 HIS A 38 7.559 -4.117 -6.761 1.00 0.00 C flip ATOM 545 NE2 HIS A 38 8.746 -4.692 -6.979 1.00 0.00 N flip ATOM 0 H HIS A 38 6.952 -6.297 -0.998 1.00 0.00 H new ATOM 0 HA HIS A 38 9.083 -5.038 -2.550 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.878 -7.101 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.129 -7.026 -3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 38 9.964 -6.156 -5.945 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.060 -3.384 -7.377 1.00 0.00 H new ATOM 0 HE2 HIS A 38 9.338 -4.495 -7.785 1.00 0.00 H new ATOM 553 N ILE A 39 7.454 -3.180 -2.507 1.00 0.00 N ATOM 554 CA ILE A 39 6.468 -2.055 -2.491 1.00 0.00 C ATOM 555 C ILE A 39 6.777 -1.081 -3.646 1.00 0.00 C ATOM 556 O ILE A 39 7.903 -0.647 -3.809 1.00 0.00 O ATOM 557 CB ILE A 39 6.651 -1.376 -1.115 1.00 0.00 C ATOM 558 CG1 ILE A 39 6.039 0.035 -1.136 1.00 0.00 C ATOM 559 CG2 ILE A 39 8.141 -1.296 -0.746 1.00 0.00 C ATOM 560 CD1 ILE A 39 7.085 1.057 -1.578 1.00 0.00 C ATOM 0 H ILE A 39 8.431 -2.897 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 39 5.440 -2.390 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 39 6.138 -1.976 -0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.186 0.060 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.665 0.292 -0.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.250 -0.815 0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.559 -2.302 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.672 -0.715 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.640 2.052 -1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.924 1.043 -0.883 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.438 0.807 -2.578 1.00 0.00 H new ATOM 572 N LYS A 40 5.804 -0.737 -4.458 1.00 0.00 N ATOM 573 CA LYS A 40 6.084 0.199 -5.589 1.00 0.00 C ATOM 574 C LYS A 40 5.146 1.415 -5.557 1.00 0.00 C ATOM 575 O LYS A 40 4.012 1.372 -6.026 1.00 0.00 O ATOM 576 CB LYS A 40 5.869 -0.620 -6.865 1.00 0.00 C ATOM 577 CG LYS A 40 6.383 0.177 -8.073 1.00 0.00 C ATOM 578 CD LYS A 40 5.203 0.591 -8.965 1.00 0.00 C ATOM 579 CE LYS A 40 4.980 2.109 -8.881 1.00 0.00 C ATOM 580 NZ LYS A 40 3.575 2.264 -8.400 1.00 0.00 N ATOM 0 H LYS A 40 4.839 -1.061 -4.386 1.00 0.00 H new ATOM 0 HA LYS A 40 7.097 0.598 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.395 -1.572 -6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.811 -0.849 -6.990 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.922 1.062 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.088 -0.426 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.399 0.302 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.300 0.066 -8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.687 2.575 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.120 2.583 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.232 3.218 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.970 1.556 -8.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.544 2.126 -7.370 1.00 0.00 H new ATOM 594 N VAL A 41 5.636 2.515 -5.052 1.00 0.00 N ATOM 595 CA VAL A 41 4.829 3.763 -5.013 1.00 0.00 C ATOM 596 C VAL A 41 5.389 4.732 -6.061 1.00 0.00 C ATOM 597 O VAL A 41 6.542 4.641 -6.436 1.00 0.00 O ATOM 598 CB VAL A 41 4.972 4.309 -3.578 1.00 0.00 C ATOM 599 CG1 VAL A 41 6.428 4.684 -3.282 1.00 0.00 C ATOM 600 CG2 VAL A 41 4.095 5.553 -3.410 1.00 0.00 C ATOM 0 H VAL A 41 6.574 2.600 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 41 3.775 3.609 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 41 4.657 3.531 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.505 5.067 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.059 3.802 -3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.756 5.451 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.198 5.937 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.409 6.318 -4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.053 5.291 -3.595 1.00 0.00 H new ATOM 610 N SER A 42 4.584 5.628 -6.566 1.00 0.00 N ATOM 611 CA SER A 42 5.080 6.553 -7.613 1.00 0.00 C ATOM 612 C SER A 42 4.294 7.865 -7.594 1.00 0.00 C ATOM 613 O SER A 42 3.241 7.990 -8.189 1.00 0.00 O ATOM 614 CB SER A 42 4.854 5.803 -8.922 1.00 0.00 C ATOM 615 OG SER A 42 5.988 5.965 -9.765 1.00 0.00 O ATOM 0 H SER A 42 3.608 5.756 -6.297 1.00 0.00 H new ATOM 0 HA SER A 42 6.126 6.824 -7.467 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.685 4.745 -8.722 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.961 6.180 -9.420 1.00 0.00 H new ATOM 0 HG SER A 42 6.410 6.830 -9.583 1.00 0.00 H new ATOM 621 N LEU A 43 4.810 8.835 -6.898 1.00 0.00 N ATOM 622 CA LEU A 43 4.135 10.179 -6.792 1.00 0.00 C ATOM 623 C LEU A 43 3.669 10.704 -8.170 1.00 0.00 C ATOM 624 O LEU A 43 2.741 11.495 -8.250 1.00 0.00 O ATOM 625 CB LEU A 43 5.185 11.133 -6.187 1.00 0.00 C ATOM 626 CG LEU A 43 5.811 10.526 -4.921 1.00 0.00 C ATOM 627 CD1 LEU A 43 6.597 11.598 -4.160 1.00 0.00 C ATOM 628 CD2 LEU A 43 4.717 9.971 -4.006 1.00 0.00 C ATOM 0 H LEU A 43 5.688 8.763 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 43 3.239 10.107 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.964 11.336 -6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.718 12.088 -5.945 1.00 0.00 H new ATOM 0 HG LEU A 43 6.481 9.720 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.037 11.159 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.388 11.991 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.925 12.408 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.172 9.544 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.040 10.776 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.159 9.198 -4.534 1.00 0.00 H new ATOM 640 N GLU A 44 4.284 10.285 -9.258 1.00 0.00 N ATOM 641 CA GLU A 44 3.836 10.781 -10.601 1.00 0.00 C ATOM 642 C GLU A 44 2.883 9.788 -11.272 1.00 0.00 C ATOM 643 O GLU A 44 1.899 10.182 -11.869 1.00 0.00 O ATOM 644 CB GLU A 44 5.118 11.027 -11.421 1.00 0.00 C ATOM 645 CG GLU A 44 5.661 9.720 -12.023 1.00 0.00 C ATOM 646 CD GLU A 44 6.572 9.023 -11.014 1.00 0.00 C ATOM 647 OE1 GLU A 44 6.046 8.419 -10.092 1.00 0.00 O ATOM 648 OE2 GLU A 44 7.774 9.104 -11.174 1.00 0.00 O ATOM 0 H GLU A 44 5.066 9.630 -9.272 1.00 0.00 H new ATOM 0 HA GLU A 44 3.264 11.705 -10.517 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.909 11.738 -12.220 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.878 11.479 -10.783 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.834 9.063 -12.294 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.213 9.933 -12.939 1.00 0.00 H new ATOM 655 N GLU A 45 3.126 8.517 -11.138 1.00 0.00 N ATOM 656 CA GLU A 45 2.188 7.513 -11.730 1.00 0.00 C ATOM 657 C GLU A 45 0.905 7.451 -10.857 1.00 0.00 C ATOM 658 O GLU A 45 -0.068 6.803 -11.197 1.00 0.00 O ATOM 659 CB GLU A 45 2.993 6.197 -11.751 1.00 0.00 C ATOM 660 CG GLU A 45 2.071 4.972 -11.807 1.00 0.00 C ATOM 661 CD GLU A 45 2.536 3.943 -10.779 1.00 0.00 C ATOM 662 OE1 GLU A 45 2.431 4.226 -9.595 1.00 0.00 O ATOM 663 OE2 GLU A 45 2.999 2.892 -11.185 1.00 0.00 O ATOM 0 H GLU A 45 3.930 8.125 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 45 1.844 7.750 -12.737 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.660 6.191 -12.613 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.621 6.140 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.042 5.267 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.086 4.537 -12.806 1.00 0.00 H new ATOM 670 N LYS A 46 0.892 8.184 -9.752 1.00 0.00 N ATOM 671 CA LYS A 46 -0.316 8.247 -8.858 1.00 0.00 C ATOM 672 C LYS A 46 -0.767 6.864 -8.361 1.00 0.00 C ATOM 673 O LYS A 46 -1.949 6.621 -8.183 1.00 0.00 O ATOM 674 CB LYS A 46 -1.405 8.894 -9.725 1.00 0.00 C ATOM 675 CG LYS A 46 -1.565 10.369 -9.340 1.00 0.00 C ATOM 676 CD LYS A 46 -0.204 11.069 -9.413 1.00 0.00 C ATOM 677 CE LYS A 46 -0.342 12.522 -8.964 1.00 0.00 C ATOM 678 NZ LYS A 46 1.042 13.069 -9.048 1.00 0.00 N ATOM 0 H LYS A 46 1.681 8.746 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.099 8.811 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.141 8.810 -10.779 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.350 8.369 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.272 10.856 -10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.974 10.450 -8.333 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.516 10.550 -8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.181 11.029 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.027 13.074 -9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.735 12.589 -7.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.149 13.849 -8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.726 12.318 -8.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.218 13.422 -10.010 1.00 0.00 H new ATOM 692 N ASN A 47 0.141 5.959 -8.113 1.00 0.00 N ATOM 693 CA ASN A 47 -0.299 4.622 -7.618 1.00 0.00 C ATOM 694 C ASN A 47 0.732 3.988 -6.679 1.00 0.00 C ATOM 695 O ASN A 47 1.928 4.219 -6.775 1.00 0.00 O ATOM 696 CB ASN A 47 -0.479 3.771 -8.875 1.00 0.00 C ATOM 697 CG ASN A 47 -1.820 3.040 -8.799 1.00 0.00 C ATOM 698 OD1 ASN A 47 -1.960 2.086 -8.066 1.00 0.00 O ATOM 699 ND2 ASN A 47 -2.821 3.455 -9.520 1.00 0.00 N ATOM 0 H ASN A 47 1.147 6.082 -8.228 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.216 4.702 -7.034 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -0.445 4.401 -9.764 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.336 3.053 -8.962 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -3.721 2.977 -9.467 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -2.706 4.258 -10.138 1.00 0.00 H new ATOM 706 N ALA A 48 0.258 3.175 -5.776 1.00 0.00 N ATOM 707 CA ALA A 48 1.162 2.483 -4.816 1.00 0.00 C ATOM 708 C ALA A 48 0.821 0.990 -4.795 1.00 0.00 C ATOM 709 O ALA A 48 -0.167 0.576 -4.213 1.00 0.00 O ATOM 710 CB ALA A 48 0.880 3.136 -3.460 1.00 0.00 C ATOM 0 H ALA A 48 -0.732 2.958 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 48 2.216 2.570 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.510 2.678 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.097 4.203 -3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.168 2.993 -3.198 1.00 0.00 H new ATOM 716 N THR A 49 1.620 0.178 -5.436 1.00 0.00 N ATOM 717 CA THR A 49 1.337 -1.285 -5.458 1.00 0.00 C ATOM 718 C THR A 49 2.453 -2.051 -4.763 1.00 0.00 C ATOM 719 O THR A 49 3.624 -1.784 -4.957 1.00 0.00 O ATOM 720 CB THR A 49 1.212 -1.677 -6.939 1.00 0.00 C ATOM 721 OG1 THR A 49 0.743 -3.013 -7.032 1.00 0.00 O ATOM 722 CG2 THR A 49 2.569 -1.577 -7.636 1.00 0.00 C ATOM 0 H THR A 49 2.456 0.466 -5.945 1.00 0.00 H new ATOM 0 HA THR A 49 0.420 -1.528 -4.922 1.00 0.00 H new ATOM 0 HB THR A 49 0.512 -0.996 -7.424 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.178 -3.014 -7.366 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.462 -1.858 -8.684 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.937 -0.553 -7.571 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.278 -2.248 -7.151 1.00 0.00 H new ATOM 730 N ILE A 50 2.093 -2.983 -3.928 1.00 0.00 N ATOM 731 CA ILE A 50 3.123 -3.762 -3.178 1.00 0.00 C ATOM 732 C ILE A 50 2.674 -5.216 -2.988 1.00 0.00 C ATOM 733 O ILE A 50 1.600 -5.615 -3.411 1.00 0.00 O ATOM 734 CB ILE A 50 3.236 -3.067 -1.804 1.00 0.00 C ATOM 735 CG1 ILE A 50 2.015 -3.412 -0.945 1.00 0.00 C ATOM 736 CG2 ILE A 50 3.303 -1.545 -1.971 1.00 0.00 C ATOM 737 CD1 ILE A 50 2.414 -4.399 0.154 1.00 0.00 C ATOM 0 H ILE A 50 1.127 -3.242 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 50 4.073 -3.787 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 50 4.148 -3.418 -1.320 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.604 -2.505 -0.500 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.232 -3.845 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.382 -1.075 -0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.174 -1.283 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.400 -1.194 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.541 -4.640 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.804 -5.310 -0.299 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.182 -3.951 0.784 1.00 0.00 H new ATOM 749 N ILE A 51 3.481 -5.996 -2.321 1.00 0.00 N ATOM 750 CA ILE A 51 3.126 -7.407 -2.039 1.00 0.00 C ATOM 751 C ILE A 51 3.140 -7.579 -0.525 1.00 0.00 C ATOM 752 O ILE A 51 3.907 -6.943 0.170 1.00 0.00 O ATOM 753 CB ILE A 51 4.213 -8.246 -2.734 1.00 0.00 C ATOM 754 CG1 ILE A 51 4.052 -9.722 -2.362 1.00 0.00 C ATOM 755 CG2 ILE A 51 5.598 -7.772 -2.305 1.00 0.00 C ATOM 756 CD1 ILE A 51 4.569 -9.942 -0.941 1.00 0.00 C ATOM 0 H ILE A 51 4.387 -5.704 -1.955 1.00 0.00 H new ATOM 0 HA ILE A 51 2.143 -7.710 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 51 4.106 -8.126 -3.812 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.004 -10.014 -2.430 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.603 -10.348 -3.063 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.359 -8.373 -2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.725 -6.725 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.701 -7.879 -1.225 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.456 -10.992 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.622 -9.665 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.998 -9.326 -0.247 1.00 0.00 H new ATOM 768 N TYR A 52 2.276 -8.391 -0.003 1.00 0.00 N ATOM 769 CA TYR A 52 2.218 -8.551 1.474 1.00 0.00 C ATOM 770 C TYR A 52 1.771 -9.960 1.864 1.00 0.00 C ATOM 771 O TYR A 52 1.269 -10.722 1.055 1.00 0.00 O ATOM 772 CB TYR A 52 1.182 -7.508 1.927 1.00 0.00 C ATOM 773 CG TYR A 52 -0.118 -7.747 1.190 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.232 -7.400 -0.165 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.195 -8.348 1.849 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.407 -7.653 -0.851 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.385 -8.597 1.156 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.491 -8.250 -0.195 1.00 0.00 C ATOM 779 OH TYR A 52 -3.663 -8.499 -0.877 1.00 0.00 O ATOM 0 H TYR A 52 1.607 -8.952 -0.530 1.00 0.00 H new ATOM 0 HA TYR A 52 3.193 -8.408 1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.023 -7.579 3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.549 -6.502 1.725 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.599 -6.934 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.109 -8.619 2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.488 -7.389 -1.895 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.220 -9.056 1.663 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.216 -9.121 -0.360 1.00 0.00 H new ATOM 789 N ASP A 53 1.960 -10.293 3.107 1.00 0.00 N ATOM 790 CA ASP A 53 1.568 -11.636 3.619 1.00 0.00 C ATOM 791 C ASP A 53 0.078 -11.655 4.014 1.00 0.00 C ATOM 792 O ASP A 53 -0.297 -11.103 5.034 1.00 0.00 O ATOM 793 CB ASP A 53 2.459 -11.830 4.850 1.00 0.00 C ATOM 794 CG ASP A 53 3.081 -13.216 4.819 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.448 -14.142 5.300 1.00 0.00 O ATOM 796 OD2 ASP A 53 4.178 -13.341 4.314 1.00 0.00 O ATOM 0 H ASP A 53 2.378 -9.679 3.806 1.00 0.00 H new ATOM 0 HA ASP A 53 1.694 -12.425 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.241 -11.070 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.871 -11.705 5.759 1.00 0.00 H new ATOM 801 N PRO A 54 -0.725 -12.318 3.205 1.00 0.00 N ATOM 802 CA PRO A 54 -2.176 -12.425 3.501 1.00 0.00 C ATOM 803 C PRO A 54 -2.401 -13.433 4.641 1.00 0.00 C ATOM 804 O PRO A 54 -3.486 -13.557 5.170 1.00 0.00 O ATOM 805 CB PRO A 54 -2.775 -12.935 2.192 1.00 0.00 C ATOM 806 CG PRO A 54 -1.657 -13.647 1.500 1.00 0.00 C ATOM 807 CD PRO A 54 -0.367 -13.021 1.966 1.00 0.00 C ATOM 0 HA PRO A 54 -2.625 -11.486 3.824 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.614 -13.606 2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.153 -12.112 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.675 -14.711 1.737 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.757 -13.559 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.398 -13.776 2.145 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.032 -12.333 1.221 1.00 0.00 H new ATOM 815 N LYS A 55 -1.363 -14.144 5.021 1.00 0.00 N ATOM 816 CA LYS A 55 -1.471 -15.144 6.128 1.00 0.00 C ATOM 817 C LYS A 55 -1.552 -14.402 7.472 1.00 0.00 C ATOM 818 O LYS A 55 -2.254 -14.812 8.378 1.00 0.00 O ATOM 819 CB LYS A 55 -0.184 -15.996 6.035 1.00 0.00 C ATOM 820 CG LYS A 55 0.235 -16.177 4.562 1.00 0.00 C ATOM 821 CD LYS A 55 0.940 -17.528 4.367 1.00 0.00 C ATOM 822 CE LYS A 55 2.395 -17.458 4.858 1.00 0.00 C ATOM 823 NZ LYS A 55 3.012 -16.288 4.160 1.00 0.00 N ATOM 0 H LYS A 55 -0.435 -14.071 4.604 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.360 -15.770 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.620 -15.514 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.351 -16.970 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.643 -16.122 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.900 -15.366 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.404 -18.305 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.920 -17.806 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.436 -17.332 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.930 -18.378 4.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.029 -16.460 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.558 -16.158 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.879 -15.431 4.734 1.00 0.00 H new ATOM 837 N LEU A 56 -0.845 -13.302 7.595 1.00 0.00 N ATOM 838 CA LEU A 56 -0.881 -12.505 8.867 1.00 0.00 C ATOM 839 C LEU A 56 -1.357 -11.057 8.613 1.00 0.00 C ATOM 840 O LEU A 56 -1.742 -10.361 9.532 1.00 0.00 O ATOM 841 CB LEU A 56 0.560 -12.523 9.401 1.00 0.00 C ATOM 842 CG LEU A 56 1.507 -11.800 8.433 1.00 0.00 C ATOM 843 CD1 LEU A 56 1.931 -10.459 9.033 1.00 0.00 C ATOM 844 CD2 LEU A 56 2.748 -12.663 8.209 1.00 0.00 C ATOM 0 H LEU A 56 -0.242 -12.920 6.867 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.585 -12.930 9.582 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.597 -12.044 10.379 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.889 -13.553 9.538 1.00 0.00 H new ATOM 0 HG LEU A 56 0.996 -11.628 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.603 -9.948 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.049 -9.842 9.204 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.443 -10.630 9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.425 -12.155 7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.253 -12.828 9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.452 -13.622 7.784 1.00 0.00 H new ATOM 856 N GLN A 57 -1.333 -10.595 7.384 1.00 0.00 N ATOM 857 CA GLN A 57 -1.780 -9.196 7.087 1.00 0.00 C ATOM 858 C GLN A 57 -2.760 -9.184 5.898 1.00 0.00 C ATOM 859 O GLN A 57 -3.087 -10.219 5.347 1.00 0.00 O ATOM 860 CB GLN A 57 -0.489 -8.451 6.734 1.00 0.00 C ATOM 861 CG GLN A 57 -0.138 -7.464 7.854 1.00 0.00 C ATOM 862 CD GLN A 57 -1.297 -6.492 8.086 1.00 0.00 C ATOM 863 OE1 GLN A 57 -2.252 -6.463 7.334 1.00 0.00 O ATOM 864 NE2 GLN A 57 -1.252 -5.686 9.099 1.00 0.00 N ATOM 0 H GLN A 57 -1.022 -11.128 6.572 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.306 -8.738 7.925 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.326 -9.162 6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.612 -7.917 5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.079 -8.008 8.773 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.763 -6.910 7.591 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.453 -5.707 9.732 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.016 -5.030 9.263 1.00 0.00 H new ATOM 873 N THR A 58 -3.240 -8.026 5.499 1.00 0.00 N ATOM 874 CA THR A 58 -4.195 -7.974 4.347 1.00 0.00 C ATOM 875 C THR A 58 -4.306 -6.531 3.819 1.00 0.00 C ATOM 876 O THR A 58 -3.750 -5.621 4.411 1.00 0.00 O ATOM 877 CB THR A 58 -5.516 -8.520 4.925 1.00 0.00 C ATOM 878 OG1 THR A 58 -6.058 -9.466 4.020 1.00 0.00 O ATOM 879 CG2 THR A 58 -6.536 -7.403 5.154 1.00 0.00 C ATOM 0 H THR A 58 -3.013 -7.124 5.918 1.00 0.00 H new ATOM 0 HA THR A 58 -3.882 -8.563 3.485 1.00 0.00 H new ATOM 0 HB THR A 58 -5.302 -8.984 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.898 -9.820 4.381 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.454 -7.826 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.128 -6.676 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.754 -6.909 4.207 1.00 0.00 H new ATOM 887 N PRO A 59 -5.013 -6.353 2.717 1.00 0.00 N ATOM 888 CA PRO A 59 -5.171 -4.991 2.105 1.00 0.00 C ATOM 889 C PRO A 59 -5.907 -3.989 3.026 1.00 0.00 C ATOM 890 O PRO A 59 -6.202 -2.880 2.623 1.00 0.00 O ATOM 891 CB PRO A 59 -5.960 -5.266 0.822 1.00 0.00 C ATOM 892 CG PRO A 59 -6.664 -6.557 1.081 1.00 0.00 C ATOM 893 CD PRO A 59 -5.739 -7.373 1.943 1.00 0.00 C ATOM 0 HA PRO A 59 -4.208 -4.513 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -6.668 -4.464 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.299 -5.341 -0.041 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -7.616 -6.387 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -6.884 -7.075 0.147 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -6.290 -8.054 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.062 -7.981 1.343 1.00 0.00 H new ATOM 901 N LYS A 60 -6.160 -4.347 4.260 1.00 0.00 N ATOM 902 CA LYS A 60 -6.822 -3.406 5.208 1.00 0.00 C ATOM 903 C LYS A 60 -5.735 -2.609 5.943 1.00 0.00 C ATOM 904 O LYS A 60 -5.935 -1.473 6.324 1.00 0.00 O ATOM 905 CB LYS A 60 -7.651 -4.297 6.161 1.00 0.00 C ATOM 906 CG LYS A 60 -6.806 -4.782 7.353 1.00 0.00 C ATOM 907 CD LYS A 60 -7.168 -3.966 8.602 1.00 0.00 C ATOM 908 CE LYS A 60 -5.892 -3.438 9.270 1.00 0.00 C ATOM 909 NZ LYS A 60 -6.365 -2.384 10.218 1.00 0.00 N ATOM 0 H LYS A 60 -5.933 -5.261 4.653 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.473 -2.679 4.723 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.512 -3.738 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.038 -5.156 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.986 -5.842 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.745 -4.673 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.816 -3.134 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.726 -4.587 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.362 -4.233 9.795 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.201 -3.027 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.778 -1.532 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.357 -2.149 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.290 -2.736 11.194 1.00 0.00 H new ATOM 923 N THR A 61 -4.564 -3.190 6.102 1.00 0.00 N ATOM 924 CA THR A 61 -3.441 -2.471 6.763 1.00 0.00 C ATOM 925 C THR A 61 -2.720 -1.648 5.699 1.00 0.00 C ATOM 926 O THR A 61 -2.180 -0.597 5.966 1.00 0.00 O ATOM 927 CB THR A 61 -2.551 -3.582 7.329 1.00 0.00 C ATOM 928 OG1 THR A 61 -2.779 -3.704 8.729 1.00 0.00 O ATOM 929 CG2 THR A 61 -1.081 -3.262 7.074 1.00 0.00 C ATOM 0 H THR A 61 -4.345 -4.138 5.797 1.00 0.00 H new ATOM 0 HA THR A 61 -3.747 -1.786 7.553 1.00 0.00 H new ATOM 0 HB THR A 61 -2.797 -4.522 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.024 -2.830 9.098 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.459 -4.059 7.481 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.908 -3.178 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.825 -2.319 7.557 1.00 0.00 H new ATOM 937 N LEU A 62 -2.779 -2.100 4.474 1.00 0.00 N ATOM 938 CA LEU A 62 -2.167 -1.325 3.355 1.00 0.00 C ATOM 939 C LEU A 62 -3.056 -0.101 3.118 1.00 0.00 C ATOM 940 O LEU A 62 -2.610 0.955 2.710 1.00 0.00 O ATOM 941 CB LEU A 62 -2.203 -2.267 2.143 1.00 0.00 C ATOM 942 CG LEU A 62 -1.026 -3.247 2.194 1.00 0.00 C ATOM 943 CD1 LEU A 62 -1.424 -4.500 2.976 1.00 0.00 C ATOM 944 CD2 LEU A 62 -0.649 -3.650 0.770 1.00 0.00 C ATOM 0 H LEU A 62 -3.226 -2.975 4.200 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.148 -0.990 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.143 -2.818 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.162 -1.686 1.221 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.180 -2.767 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.582 -5.192 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.703 -4.221 3.992 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.271 -4.981 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.188 -4.347 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.503 -4.127 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.363 -2.763 0.205 1.00 0.00 H new ATOM 956 N GLN A 63 -4.317 -0.246 3.441 1.00 0.00 N ATOM 957 CA GLN A 63 -5.281 0.878 3.310 1.00 0.00 C ATOM 958 C GLN A 63 -5.231 1.706 4.594 1.00 0.00 C ATOM 959 O GLN A 63 -5.595 2.861 4.618 1.00 0.00 O ATOM 960 CB GLN A 63 -6.646 0.203 3.145 1.00 0.00 C ATOM 961 CG GLN A 63 -7.719 1.264 2.891 1.00 0.00 C ATOM 962 CD GLN A 63 -7.821 1.549 1.394 1.00 0.00 C ATOM 963 OE1 GLN A 63 -8.494 0.843 0.674 1.00 0.00 O ATOM 964 NE2 GLN A 63 -7.179 2.560 0.890 1.00 0.00 N ATOM 0 H GLN A 63 -4.721 -1.113 3.796 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.067 1.545 2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.615 -0.503 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.891 -0.368 4.041 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.681 0.920 3.271 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.473 2.180 3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.612 3.156 1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.242 2.758 -0.109 1.00 0.00 H new ATOM 973 N GLU A 64 -4.740 1.112 5.652 1.00 0.00 N ATOM 974 CA GLU A 64 -4.606 1.839 6.949 1.00 0.00 C ATOM 975 C GLU A 64 -3.220 2.479 7.012 1.00 0.00 C ATOM 976 O GLU A 64 -3.000 3.443 7.710 1.00 0.00 O ATOM 977 CB GLU A 64 -4.794 0.765 8.035 1.00 0.00 C ATOM 978 CG GLU A 64 -3.575 0.708 8.970 1.00 0.00 C ATOM 979 CD GLU A 64 -3.590 -0.599 9.754 1.00 0.00 C ATOM 980 OE1 GLU A 64 -4.520 -0.805 10.518 1.00 0.00 O ATOM 981 OE2 GLU A 64 -2.681 -1.390 9.567 1.00 0.00 O ATOM 0 H GLU A 64 -4.423 0.143 5.672 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.333 2.641 7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.691 0.982 8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.944 -0.208 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.656 0.785 8.390 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.591 1.555 9.656 1.00 0.00 H new ATOM 988 N ALA A 65 -2.301 1.955 6.246 1.00 0.00 N ATOM 989 CA ALA A 65 -0.921 2.525 6.207 1.00 0.00 C ATOM 990 C ALA A 65 -0.908 3.669 5.200 1.00 0.00 C ATOM 991 O ALA A 65 -0.169 4.628 5.329 1.00 0.00 O ATOM 992 CB ALA A 65 -0.015 1.378 5.750 1.00 0.00 C ATOM 0 H ALA A 65 -2.448 1.148 5.639 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.587 2.916 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.016 1.727 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.085 0.554 6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.331 1.035 4.765 1.00 0.00 H new ATOM 998 N ILE A 66 -1.774 3.597 4.225 1.00 0.00 N ATOM 999 CA ILE A 66 -1.867 4.707 3.233 1.00 0.00 C ATOM 1000 C ILE A 66 -2.798 5.770 3.818 1.00 0.00 C ATOM 1001 O ILE A 66 -2.604 6.960 3.638 1.00 0.00 O ATOM 1002 CB ILE A 66 -2.437 4.078 1.949 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -2.253 5.047 0.776 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -3.927 3.776 2.125 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -0.922 4.756 0.080 1.00 0.00 C ATOM 0 H ILE A 66 -2.418 2.821 4.073 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.912 5.184 3.011 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.905 3.149 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.076 4.941 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.271 6.076 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.319 3.331 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.062 3.080 2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.463 4.701 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.790 5.444 -0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.105 4.885 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.922 3.731 -0.291 1.00 0.00 H new ATOM 1017 N ASP A 67 -3.777 5.331 4.578 1.00 0.00 N ATOM 1018 CA ASP A 67 -4.702 6.290 5.246 1.00 0.00 C ATOM 1019 C ASP A 67 -3.951 6.937 6.417 1.00 0.00 C ATOM 1020 O ASP A 67 -4.159 8.090 6.746 1.00 0.00 O ATOM 1021 CB ASP A 67 -5.869 5.426 5.736 1.00 0.00 C ATOM 1022 CG ASP A 67 -6.985 6.307 6.288 1.00 0.00 C ATOM 1023 OD1 ASP A 67 -7.685 6.906 5.493 1.00 0.00 O ATOM 1024 OD2 ASP A 67 -7.129 6.355 7.497 1.00 0.00 O ATOM 0 H ASP A 67 -3.971 4.346 4.761 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.058 7.091 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.249 4.817 4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.523 4.739 6.509 1.00 0.00 H new ATOM 1029 N ASP A 68 -3.055 6.192 7.026 1.00 0.00 N ATOM 1030 CA ASP A 68 -2.255 6.743 8.163 1.00 0.00 C ATOM 1031 C ASP A 68 -1.253 7.786 7.640 1.00 0.00 C ATOM 1032 O ASP A 68 -1.092 8.840 8.225 1.00 0.00 O ATOM 1033 CB ASP A 68 -1.541 5.521 8.767 1.00 0.00 C ATOM 1034 CG ASP A 68 -0.230 5.935 9.438 1.00 0.00 C ATOM 1035 OD1 ASP A 68 -0.261 6.254 10.613 1.00 0.00 O ATOM 1036 OD2 ASP A 68 0.786 5.919 8.763 1.00 0.00 O ATOM 0 H ASP A 68 -2.845 5.224 6.782 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.866 7.253 8.908 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.191 5.038 9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.339 4.789 7.985 1.00 0.00 H new ATOM 1041 N MET A 69 -0.587 7.509 6.540 1.00 0.00 N ATOM 1042 CA MET A 69 0.391 8.503 5.996 1.00 0.00 C ATOM 1043 C MET A 69 -0.326 9.822 5.672 1.00 0.00 C ATOM 1044 O MET A 69 0.139 10.888 6.029 1.00 0.00 O ATOM 1045 CB MET A 69 0.974 7.867 4.727 1.00 0.00 C ATOM 1046 CG MET A 69 2.066 6.844 5.088 1.00 0.00 C ATOM 1047 SD MET A 69 2.956 7.363 6.580 1.00 0.00 S ATOM 1048 CE MET A 69 3.490 8.987 5.990 1.00 0.00 C ATOM 0 H MET A 69 -0.678 6.647 6.003 1.00 0.00 H new ATOM 0 HA MET A 69 1.178 8.737 6.713 1.00 0.00 H new ATOM 0 HB2 MET A 69 0.181 7.377 4.162 1.00 0.00 H new ATOM 0 HB3 MET A 69 1.392 8.642 4.084 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.616 5.864 5.249 1.00 0.00 H new ATOM 0 HG3 MET A 69 2.765 6.741 4.258 1.00 0.00 H new ATOM 0 HE1 MET A 69 4.498 9.192 6.352 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.487 8.997 4.900 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.808 9.752 6.362 1.00 0.00 H new ATOM 1058 N GLY A 70 -1.455 9.757 5.006 1.00 0.00 N ATOM 1059 CA GLY A 70 -2.208 11.009 4.672 1.00 0.00 C ATOM 1060 C GLY A 70 -2.239 11.228 3.158 1.00 0.00 C ATOM 1061 O GLY A 70 -1.915 12.294 2.673 1.00 0.00 O ATOM 0 H GLY A 70 -1.887 8.893 4.680 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.226 10.942 5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.739 11.864 5.159 1.00 0.00 H new ATOM 1065 N PHE A 71 -2.639 10.228 2.415 1.00 0.00 N ATOM 1066 CA PHE A 71 -2.708 10.366 0.928 1.00 0.00 C ATOM 1067 C PHE A 71 -3.982 9.685 0.408 1.00 0.00 C ATOM 1068 O PHE A 71 -4.261 8.550 0.750 1.00 0.00 O ATOM 1069 CB PHE A 71 -1.465 9.641 0.397 1.00 0.00 C ATOM 1070 CG PHE A 71 -0.207 10.352 0.849 1.00 0.00 C ATOM 1071 CD1 PHE A 71 0.127 11.606 0.319 1.00 0.00 C ATOM 1072 CD2 PHE A 71 0.629 9.748 1.793 1.00 0.00 C ATOM 1073 CE1 PHE A 71 1.296 12.253 0.738 1.00 0.00 C ATOM 1074 CE2 PHE A 71 1.798 10.396 2.210 1.00 0.00 C ATOM 1075 CZ PHE A 71 2.132 11.647 1.681 1.00 0.00 C ATOM 0 H PHE A 71 -2.922 9.317 2.776 1.00 0.00 H new ATOM 0 HA PHE A 71 -2.736 11.408 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.457 8.611 0.754 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.497 9.601 -0.692 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.517 12.073 -0.412 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.373 8.781 2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.552 13.221 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.442 9.930 2.941 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.035 12.145 2.001 1.00 0.00 H new ATOM 1085 N ASP A 72 -4.755 10.364 -0.410 1.00 0.00 N ATOM 1086 CA ASP A 72 -6.013 9.748 -0.952 1.00 0.00 C ATOM 1087 C ASP A 72 -5.711 8.355 -1.531 1.00 0.00 C ATOM 1088 O ASP A 72 -5.029 8.223 -2.529 1.00 0.00 O ATOM 1089 CB ASP A 72 -6.482 10.707 -2.052 1.00 0.00 C ATOM 1090 CG ASP A 72 -7.184 11.910 -1.427 1.00 0.00 C ATOM 1091 OD1 ASP A 72 -6.489 12.785 -0.940 1.00 0.00 O ATOM 1092 OD2 ASP A 72 -8.403 11.935 -1.447 1.00 0.00 O ATOM 0 H ASP A 72 -4.570 11.316 -0.725 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.775 9.612 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.630 11.040 -2.644 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.161 10.191 -2.731 1.00 0.00 H new ATOM 1097 N ALA A 73 -6.196 7.316 -0.899 1.00 0.00 N ATOM 1098 CA ALA A 73 -5.913 5.937 -1.400 1.00 0.00 C ATOM 1099 C ALA A 73 -7.169 5.282 -1.990 1.00 0.00 C ATOM 1100 O ALA A 73 -8.198 5.201 -1.345 1.00 0.00 O ATOM 1101 CB ALA A 73 -5.450 5.166 -0.164 1.00 0.00 C ATOM 0 H ALA A 73 -6.774 7.363 -0.060 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.171 5.946 -2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.220 4.137 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.558 5.639 0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.241 5.171 0.585 1.00 0.00 H new ATOM 1107 N VAL A 74 -7.080 4.790 -3.202 1.00 0.00 N ATOM 1108 CA VAL A 74 -8.250 4.109 -3.844 1.00 0.00 C ATOM 1109 C VAL A 74 -7.785 2.768 -4.444 1.00 0.00 C ATOM 1110 O VAL A 74 -7.587 2.637 -5.642 1.00 0.00 O ATOM 1111 CB VAL A 74 -8.746 5.072 -4.935 1.00 0.00 C ATOM 1112 CG1 VAL A 74 -9.855 4.397 -5.749 1.00 0.00 C ATOM 1113 CG2 VAL A 74 -9.306 6.347 -4.291 1.00 0.00 C ATOM 0 H VAL A 74 -6.240 4.831 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.050 3.887 -3.138 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.911 5.329 -5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.206 5.080 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -9.465 3.492 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -10.684 4.138 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.656 7.025 -5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.137 6.088 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.524 6.835 -3.710 1.00 0.00 H new ATOM 1123 N ILE A 75 -7.587 1.784 -3.604 1.00 0.00 N ATOM 1124 CA ILE A 75 -7.119 0.450 -4.064 1.00 0.00 C ATOM 1125 C ILE A 75 -8.095 -0.150 -5.077 1.00 0.00 C ATOM 1126 O ILE A 75 -9.300 -0.072 -4.929 1.00 0.00 O ATOM 1127 CB ILE A 75 -7.040 -0.415 -2.792 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -8.443 -0.687 -2.234 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -6.213 0.296 -1.716 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -8.347 -1.704 -1.094 1.00 0.00 C ATOM 0 H ILE A 75 -7.735 1.855 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.155 0.511 -4.569 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.566 -1.359 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.889 0.240 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.093 -1.068 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -6.166 -0.327 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.204 0.472 -2.090 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.680 1.249 -1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.343 -1.899 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.918 -2.633 -1.470 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.712 -1.305 -0.303 1.00 0.00 H new ATOM 1142 N HIS A 76 -7.570 -0.745 -6.102 1.00 0.00 N ATOM 1143 CA HIS A 76 -8.445 -1.367 -7.150 1.00 0.00 C ATOM 1144 C HIS A 76 -8.001 -2.813 -7.447 1.00 0.00 C ATOM 1145 O HIS A 76 -7.903 -3.227 -8.591 1.00 0.00 O ATOM 1146 CB HIS A 76 -8.303 -0.457 -8.387 1.00 0.00 C ATOM 1147 CG HIS A 76 -6.878 -0.421 -8.879 1.00 0.00 C ATOM 1148 ND1 HIS A 76 -6.240 -1.544 -9.371 1.00 0.00 N ATOM 1149 CD2 HIS A 76 -5.972 0.602 -8.990 1.00 0.00 C ATOM 1150 CE1 HIS A 76 -5.005 -1.176 -9.755 1.00 0.00 C ATOM 1151 NE2 HIS A 76 -4.790 0.124 -9.544 1.00 0.00 N ATOM 0 H HIS A 76 -6.568 -0.833 -6.269 1.00 0.00 H new ATOM 0 HA HIS A 76 -9.485 -1.439 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -8.956 -0.816 -9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -8.630 0.553 -8.138 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -6.635 -2.483 -9.432 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -6.150 1.625 -8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.277 -1.850 -10.182 1.00 0.00 H new ATOM 1159 N ASN A 77 -7.732 -3.582 -6.421 1.00 0.00 N ATOM 1160 CA ASN A 77 -7.296 -4.996 -6.643 1.00 0.00 C ATOM 1161 C ASN A 77 -8.390 -5.989 -6.205 1.00 0.00 C ATOM 1162 O ASN A 77 -8.942 -6.675 -7.039 1.00 0.00 O ATOM 1163 CB ASN A 77 -6.016 -5.164 -5.815 1.00 0.00 C ATOM 1164 CG ASN A 77 -4.823 -5.312 -6.754 1.00 0.00 C ATOM 1165 OD1 ASN A 77 -3.960 -4.465 -6.793 1.00 0.00 O ATOM 1166 ND2 ASN A 77 -4.735 -6.358 -7.521 1.00 0.00 N ATOM 0 H ASN A 77 -7.795 -3.294 -5.444 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.115 -5.203 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.875 -4.302 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.098 -6.040 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.941 -6.462 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.460 -7.075 -7.491 1.00 0.00 H new ATOM 1173 N PRO A 78 -8.680 -6.045 -4.918 1.00 0.00 N ATOM 1174 CA PRO A 78 -9.730 -6.980 -4.432 1.00 0.00 C ATOM 1175 C PRO A 78 -11.134 -6.451 -4.776 1.00 0.00 C ATOM 1176 O PRO A 78 -12.067 -7.215 -4.949 1.00 0.00 O ATOM 1177 CB PRO A 78 -9.507 -7.016 -2.922 1.00 0.00 C ATOM 1178 CG PRO A 78 -8.827 -5.725 -2.586 1.00 0.00 C ATOM 1179 CD PRO A 78 -8.081 -5.270 -3.815 1.00 0.00 C ATOM 0 HA PRO A 78 -9.667 -7.968 -4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.452 -7.112 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -8.892 -7.869 -2.637 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -9.557 -4.975 -2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.141 -5.860 -1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -8.196 -4.198 -3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.013 -5.466 -3.726 1.00 0.00 H new ATOM 1187 N ASP A 79 -11.281 -5.153 -4.869 1.00 0.00 N ATOM 1188 CA ASP A 79 -12.603 -4.557 -5.192 1.00 0.00 C ATOM 1189 C ASP A 79 -12.541 -3.805 -6.532 1.00 0.00 C ATOM 1190 O ASP A 79 -11.610 -3.031 -6.723 1.00 0.00 O ATOM 1191 CB ASP A 79 -12.893 -3.593 -4.033 1.00 0.00 C ATOM 1192 CG ASP A 79 -12.627 -4.288 -2.695 1.00 0.00 C ATOM 1193 OD1 ASP A 79 -13.467 -5.070 -2.283 1.00 0.00 O ATOM 1194 OD2 ASP A 79 -11.588 -4.026 -2.110 1.00 0.00 O ATOM 1195 OXT ASP A 79 -13.426 -4.019 -7.347 1.00 0.00 O ATOM 0 H ASP A 79 -10.529 -4.477 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.383 -5.311 -5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.267 -2.705 -4.122 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.929 -3.258 -4.078 1.00 0.00 H new TER 1200 ASP A 79 HETATM 1201 CU CU1 A 85 5.337 14.593 -0.716 1.00 0.00 CU