USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 849 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 126:sc= 0.755 USER MOD Set 1.2: A 110 HIS : no HE2:sc= 0.278 K(o=1,f=0.45) USER MOD Set 2.1: A 44 TYR OH : rot -146:sc= 0.213 USER MOD Set 2.2: A 100 GLN : amide:sc= -0.181 K(o=1.8,f=-14!) USER MOD Set 2.3: A 104 LYS NZ :NH3+ 162:sc= 1.75 (180deg=-0.634) USER MOD Set 3.1: A 96 SER OG : rot 180:sc= -0.0626 USER MOD Set 3.2: A 99 MET CE :methyl -144:sc= -0.4 (180deg=-1.33) USER MOD Set 4.1: A 83 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 85 ASN :FLIP amide:sc= -0.0786 F(o=-1.4,f=-0.079) USER MOD Set 5.1: A 36 SER OG : rot 94:sc= 1.13 USER MOD Set 5.2: A 91 ASN : amide:sc= 0.62 K(o=1.7,f=0.87) USER MOD Set 6.1: A 28 SER OG : rot 69:sc= 1.49 USER MOD Set 6.2: A 67 ASN : amide:sc= 0.698 K(o=2.2,f=-0.81!) USER MOD Set 7.1: A 24 ASN : amide:sc= 0.376 K(o=0.26,f=-8.5!) USER MOD Set 7.2: A 26 SER OG : rot -160:sc= -0.112 USER MOD Single : A 3 ASN : amide:sc= -0.0655 X(o=-0.066,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot -79:sc= 1.08 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -165:sc= 1.22 (180deg=1.06) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00134 USER MOD Single : A 31 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-3.4!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 152:sc= -0.143 (180deg=-0.724) USER MOD Single : A 37 THR OG1 : rot -156:sc= -1.28 USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 2.4 (180deg=1.88) USER MOD Single : A 43 LYS NZ :NH3+ -139:sc= -1.13 (180deg=-3.25!) USER MOD Single : A 46 HIS : +bothHN:sc= -0.326! C(o=-0.33!,f=-7.7!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= -0.025 F(o=-1.3!,f=-0.025) USER MOD Single : A 71 THR OG1 : rot 76:sc= -0.303 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 151:sc= 1.22 (180deg=-0.048!) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= -0.0528 (180deg=-0.827) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= 0.462 (180deg=-0.174!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00951 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc=-0.00601 F(o=-1.3,f=-0.006) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 21.146 13.520 12.705 1.00 0.00 N ATOM 2 CA VAL A 2 19.742 13.395 13.088 1.00 0.00 C ATOM 3 C VAL A 2 19.614 13.471 14.604 1.00 0.00 C ATOM 4 O VAL A 2 20.584 13.209 15.320 1.00 0.00 O ATOM 5 CB VAL A 2 19.113 12.077 12.579 1.00 0.00 C ATOM 6 CG1 VAL A 2 19.188 11.998 11.062 1.00 0.00 C ATOM 7 CG2 VAL A 2 19.782 10.866 13.214 1.00 0.00 C ATOM 0 HA VAL A 2 19.201 14.219 12.623 1.00 0.00 H new ATOM 0 HB VAL A 2 18.064 12.071 12.873 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.740 11.064 10.724 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.647 12.838 10.627 1.00 0.00 H new ATOM 0 HG13 VAL A 2 20.231 12.036 10.747 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.318 9.955 12.837 1.00 0.00 H new ATOM 0 HG22 VAL A 2 20.843 10.864 12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 2 19.664 10.911 14.297 1.00 0.00 H new ATOM 17 N ASN A 3 18.439 13.833 15.103 1.00 0.00 N ATOM 18 CA ASN A 3 18.267 14.004 16.542 1.00 0.00 C ATOM 19 C ASN A 3 16.898 13.541 17.021 1.00 0.00 C ATOM 20 O ASN A 3 16.791 12.601 17.810 1.00 0.00 O ATOM 21 CB ASN A 3 18.496 15.469 16.934 1.00 0.00 C ATOM 22 CG ASN A 3 18.358 15.697 18.431 1.00 0.00 C ATOM 23 OD1 ASN A 3 19.310 15.506 19.187 1.00 0.00 O ATOM 24 ND2 ASN A 3 17.189 16.140 18.865 1.00 0.00 N ATOM 0 H ASN A 3 17.604 14.011 14.545 1.00 0.00 H new ATOM 0 HA ASN A 3 19.011 13.376 17.032 1.00 0.00 H new ATOM 0 HB2 ASN A 3 19.491 15.777 16.613 1.00 0.00 H new ATOM 0 HB3 ASN A 3 17.781 16.100 16.406 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.054 16.335 19.857 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.423 16.286 18.208 1.00 0.00 H new ATOM 31 N PHE A 4 15.858 14.199 16.541 1.00 0.00 N ATOM 32 CA PHE A 4 14.514 13.971 17.055 1.00 0.00 C ATOM 33 C PHE A 4 13.697 13.086 16.129 1.00 0.00 C ATOM 34 O PHE A 4 13.006 12.173 16.578 1.00 0.00 O ATOM 35 CB PHE A 4 13.793 15.305 17.269 1.00 0.00 C ATOM 36 CG PHE A 4 12.402 15.164 17.821 1.00 0.00 C ATOM 37 CD1 PHE A 4 12.199 14.808 19.145 1.00 0.00 C ATOM 38 CD2 PHE A 4 11.298 15.389 17.016 1.00 0.00 C ATOM 39 CE1 PHE A 4 10.922 14.681 19.654 1.00 0.00 C ATOM 40 CE2 PHE A 4 10.019 15.264 17.520 1.00 0.00 C ATOM 41 CZ PHE A 4 9.831 14.908 18.839 1.00 0.00 C ATOM 0 H PHE A 4 15.915 14.895 15.797 1.00 0.00 H new ATOM 0 HA PHE A 4 14.614 13.454 18.010 1.00 0.00 H new ATOM 0 HB2 PHE A 4 14.382 15.920 17.949 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.744 15.837 16.319 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.049 14.628 19.786 1.00 0.00 H new ATOM 0 HD2 PHE A 4 11.439 15.666 15.982 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.777 14.405 20.688 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.166 15.445 16.882 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.831 14.807 19.234 1.00 0.00 H new ATOM 51 N LYS A 5 13.777 13.354 14.839 1.00 0.00 N ATOM 52 CA LYS A 5 12.948 12.650 13.873 1.00 0.00 C ATOM 53 C LYS A 5 13.507 11.268 13.553 1.00 0.00 C ATOM 54 O LYS A 5 14.491 10.826 14.153 1.00 0.00 O ATOM 55 CB LYS A 5 12.789 13.483 12.603 1.00 0.00 C ATOM 56 CG LYS A 5 11.984 14.752 12.832 1.00 0.00 C ATOM 57 CD LYS A 5 11.771 15.531 11.548 1.00 0.00 C ATOM 58 CE LYS A 5 10.845 16.711 11.780 1.00 0.00 C ATOM 59 NZ LYS A 5 10.655 17.526 10.556 1.00 0.00 N ATOM 0 H LYS A 5 14.404 14.050 14.435 1.00 0.00 H new ATOM 0 HA LYS A 5 11.964 12.505 14.319 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.775 13.747 12.220 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.301 12.881 11.837 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.017 14.495 13.264 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.499 15.382 13.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 12.730 15.885 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.349 14.876 10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.877 16.348 12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.252 17.339 12.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.016 18.320 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.574 17.895 10.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.242 16.935 9.806 1.00 0.00 H new ATOM 73 N ASP A 6 12.862 10.586 12.616 1.00 0.00 N ATOM 74 CA ASP A 6 13.206 9.205 12.300 1.00 0.00 C ATOM 75 C ASP A 6 14.527 9.143 11.539 1.00 0.00 C ATOM 76 O ASP A 6 14.985 10.145 10.981 1.00 0.00 O ATOM 77 CB ASP A 6 12.079 8.541 11.503 1.00 0.00 C ATOM 78 CG ASP A 6 12.248 7.037 11.408 1.00 0.00 C ATOM 79 OD1 ASP A 6 11.778 6.320 12.315 1.00 0.00 O ATOM 80 OD2 ASP A 6 12.860 6.570 10.435 1.00 0.00 O ATOM 0 H ASP A 6 12.096 10.967 12.060 1.00 0.00 H new ATOM 0 HA ASP A 6 13.329 8.655 13.233 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.122 8.768 11.974 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.049 8.965 10.499 1.00 0.00 H new ATOM 85 N LYS A 7 15.132 7.964 11.516 1.00 0.00 N ATOM 86 CA LYS A 7 16.488 7.805 11.016 1.00 0.00 C ATOM 87 C LYS A 7 16.543 6.877 9.796 1.00 0.00 C ATOM 88 O LYS A 7 17.587 6.754 9.151 1.00 0.00 O ATOM 89 CB LYS A 7 17.373 7.285 12.161 1.00 0.00 C ATOM 90 CG LYS A 7 18.823 7.004 11.789 1.00 0.00 C ATOM 91 CD LYS A 7 19.675 6.768 13.029 1.00 0.00 C ATOM 92 CE LYS A 7 19.091 5.696 13.939 1.00 0.00 C ATOM 93 NZ LYS A 7 19.152 4.338 13.332 1.00 0.00 N ATOM 0 H LYS A 7 14.701 7.099 11.840 1.00 0.00 H new ATOM 0 HA LYS A 7 16.860 8.771 10.676 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.358 8.016 12.970 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.931 6.368 12.551 1.00 0.00 H new ATOM 0 HG2 LYS A 7 18.872 6.130 11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 7 19.225 7.844 11.223 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.680 6.475 12.726 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.769 7.701 13.585 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.633 5.692 14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 7 18.054 5.943 14.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.743 3.645 13.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.613 4.331 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 20.143 4.088 13.139 1.00 0.00 H new ATOM 107 N SER A 8 15.428 6.241 9.461 1.00 0.00 N ATOM 108 CA SER A 8 15.408 5.334 8.320 1.00 0.00 C ATOM 109 C SER A 8 15.444 6.122 7.010 1.00 0.00 C ATOM 110 O SER A 8 15.031 7.285 6.961 1.00 0.00 O ATOM 111 CB SER A 8 14.184 4.415 8.368 1.00 0.00 C ATOM 112 OG SER A 8 12.972 5.153 8.358 1.00 0.00 O ATOM 0 H SER A 8 14.539 6.333 9.953 1.00 0.00 H new ATOM 0 HA SER A 8 16.298 4.706 8.370 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.204 3.737 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.227 3.798 9.266 1.00 0.00 H new ATOM 0 HG SER A 8 12.794 5.502 9.256 1.00 0.00 H new ATOM 118 N MET A 9 15.950 5.494 5.958 1.00 0.00 N ATOM 119 CA MET A 9 16.121 6.172 4.684 1.00 0.00 C ATOM 120 C MET A 9 14.993 5.819 3.725 1.00 0.00 C ATOM 121 O MET A 9 14.841 4.663 3.326 1.00 0.00 O ATOM 122 CB MET A 9 17.476 5.823 4.071 1.00 0.00 C ATOM 123 CG MET A 9 18.645 6.254 4.940 1.00 0.00 C ATOM 124 SD MET A 9 18.648 8.031 5.254 1.00 0.00 S ATOM 125 CE MET A 9 19.916 8.147 6.513 1.00 0.00 C ATOM 0 H MET A 9 16.248 4.519 5.963 1.00 0.00 H new ATOM 0 HA MET A 9 16.088 7.247 4.863 1.00 0.00 H new ATOM 0 HB2 MET A 9 17.529 4.747 3.907 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.561 6.299 3.094 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.605 5.720 5.889 1.00 0.00 H new ATOM 0 HG3 MET A 9 19.579 5.972 4.454 1.00 0.00 H new ATOM 0 HE1 MET A 9 20.037 9.188 6.813 1.00 0.00 H new ATOM 0 HE2 MET A 9 19.625 7.551 7.378 1.00 0.00 H new ATOM 0 HE3 MET A 9 20.859 7.772 6.115 1.00 0.00 H new ATOM 135 N PRO A 10 14.177 6.814 3.349 1.00 0.00 N ATOM 136 CA PRO A 10 13.056 6.614 2.444 1.00 0.00 C ATOM 137 C PRO A 10 13.506 6.446 0.996 1.00 0.00 C ATOM 138 O PRO A 10 13.566 7.411 0.234 1.00 0.00 O ATOM 139 CB PRO A 10 12.208 7.889 2.602 1.00 0.00 C ATOM 140 CG PRO A 10 12.847 8.676 3.702 1.00 0.00 C ATOM 141 CD PRO A 10 14.272 8.209 3.784 1.00 0.00 C ATOM 0 HA PRO A 10 12.508 5.703 2.683 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.187 8.461 1.674 1.00 0.00 H new ATOM 0 HB3 PRO A 10 11.175 7.643 2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 10 12.800 9.745 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.330 8.513 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.927 8.792 3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.668 8.292 4.796 1.00 0.00 H new ATOM 149 N THR A 11 13.864 5.226 0.637 1.00 0.00 N ATOM 150 CA THR A 11 14.193 4.901 -0.738 1.00 0.00 C ATOM 151 C THR A 11 12.997 4.233 -1.411 1.00 0.00 C ATOM 152 O THR A 11 12.197 4.891 -2.083 1.00 0.00 O ATOM 153 CB THR A 11 15.425 3.976 -0.809 1.00 0.00 C ATOM 154 OG1 THR A 11 15.261 2.879 0.106 1.00 0.00 O ATOM 155 CG2 THR A 11 16.699 4.737 -0.472 1.00 0.00 C ATOM 0 H THR A 11 13.934 4.440 1.284 1.00 0.00 H new ATOM 0 HA THR A 11 14.434 5.826 -1.262 1.00 0.00 H new ATOM 0 HB THR A 11 15.510 3.596 -1.827 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.382 2.033 -0.373 1.00 0.00 H new ATOM 0 HG21 THR A 11 17.552 4.061 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.834 5.553 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.625 5.142 0.537 1.00 0.00 H new ATOM 163 N ALA A 12 12.854 2.933 -1.181 1.00 0.00 N ATOM 164 CA ALA A 12 11.708 2.182 -1.670 1.00 0.00 C ATOM 165 C ALA A 12 10.448 2.645 -0.955 1.00 0.00 C ATOM 166 O ALA A 12 9.377 2.746 -1.551 1.00 0.00 O ATOM 167 CB ALA A 12 11.923 0.689 -1.458 1.00 0.00 C ATOM 0 H ALA A 12 13.525 2.375 -0.654 1.00 0.00 H new ATOM 0 HA ALA A 12 11.594 2.362 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.057 0.140 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.814 0.369 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.052 0.487 -0.395 1.00 0.00 H new ATOM 173 N ILE A 13 10.610 2.955 0.329 1.00 0.00 N ATOM 174 CA ILE A 13 9.513 3.424 1.163 1.00 0.00 C ATOM 175 C ILE A 13 8.913 4.706 0.590 1.00 0.00 C ATOM 176 O ILE A 13 7.695 4.873 0.558 1.00 0.00 O ATOM 177 CB ILE A 13 9.995 3.687 2.607 1.00 0.00 C ATOM 178 CG1 ILE A 13 10.698 2.445 3.166 1.00 0.00 C ATOM 179 CG2 ILE A 13 8.821 4.083 3.497 1.00 0.00 C ATOM 180 CD1 ILE A 13 11.305 2.648 4.540 1.00 0.00 C ATOM 0 H ILE A 13 11.503 2.888 0.817 1.00 0.00 H new ATOM 0 HA ILE A 13 8.751 2.645 1.178 1.00 0.00 H new ATOM 0 HB ILE A 13 10.708 4.512 2.592 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.982 1.625 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.484 2.142 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.178 4.265 4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.359 4.990 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.086 3.278 3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.784 1.725 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 13 12.047 3.445 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 13 10.522 2.920 5.247 1.00 0.00 H new ATOM 192 N GLU A 14 9.783 5.594 0.118 1.00 0.00 N ATOM 193 CA GLU A 14 9.352 6.875 -0.423 1.00 0.00 C ATOM 194 C GLU A 14 8.527 6.674 -1.689 1.00 0.00 C ATOM 195 O GLU A 14 7.456 7.258 -1.839 1.00 0.00 O ATOM 196 CB GLU A 14 10.558 7.753 -0.745 1.00 0.00 C ATOM 197 CG GLU A 14 10.180 9.125 -1.275 1.00 0.00 C ATOM 198 CD GLU A 14 11.318 9.791 -2.010 1.00 0.00 C ATOM 199 OE1 GLU A 14 11.540 9.447 -3.188 1.00 0.00 O ATOM 200 OE2 GLU A 14 11.994 10.656 -1.422 1.00 0.00 O ATOM 0 H GLU A 14 10.792 5.448 0.100 1.00 0.00 H new ATOM 0 HA GLU A 14 8.738 7.367 0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.162 7.873 0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.181 7.246 -1.482 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.325 9.030 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.867 9.759 -0.445 1.00 0.00 H new ATOM 207 N LYS A 15 9.028 5.837 -2.590 1.00 0.00 N ATOM 208 CA LYS A 15 8.364 5.609 -3.866 1.00 0.00 C ATOM 209 C LYS A 15 7.004 4.949 -3.662 1.00 0.00 C ATOM 210 O LYS A 15 6.019 5.342 -4.284 1.00 0.00 O ATOM 211 CB LYS A 15 9.238 4.757 -4.789 1.00 0.00 C ATOM 212 CG LYS A 15 10.575 5.403 -5.119 1.00 0.00 C ATOM 213 CD LYS A 15 10.393 6.764 -5.775 1.00 0.00 C ATOM 214 CE LYS A 15 11.730 7.415 -6.098 1.00 0.00 C ATOM 215 NZ LYS A 15 12.559 7.632 -4.880 1.00 0.00 N ATOM 0 H LYS A 15 9.890 5.307 -2.460 1.00 0.00 H new ATOM 0 HA LYS A 15 8.206 6.578 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.416 3.790 -4.318 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.697 4.566 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.161 5.514 -4.207 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.141 4.751 -5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 15 9.812 6.652 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.822 7.414 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.277 6.787 -6.801 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.557 8.371 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.331 8.293 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.967 8.030 -4.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.959 6.725 -4.566 1.00 0.00 H new ATOM 229 N ALA A 16 6.950 3.965 -2.770 1.00 0.00 N ATOM 230 CA ALA A 16 5.692 3.302 -2.443 1.00 0.00 C ATOM 231 C ALA A 16 4.718 4.284 -1.796 1.00 0.00 C ATOM 232 O ALA A 16 3.510 4.234 -2.031 1.00 0.00 O ATOM 233 CB ALA A 16 5.941 2.115 -1.527 1.00 0.00 C ATOM 0 H ALA A 16 7.760 3.610 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 16 5.245 2.937 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.993 1.631 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.598 1.402 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.411 2.459 -0.605 1.00 0.00 H new ATOM 239 N LEU A 17 5.262 5.193 -0.994 1.00 0.00 N ATOM 240 CA LEU A 17 4.465 6.207 -0.317 1.00 0.00 C ATOM 241 C LEU A 17 3.966 7.250 -1.318 1.00 0.00 C ATOM 242 O LEU A 17 2.963 7.919 -1.084 1.00 0.00 O ATOM 243 CB LEU A 17 5.297 6.885 0.779 1.00 0.00 C ATOM 244 CG LEU A 17 4.506 7.757 1.753 1.00 0.00 C ATOM 245 CD1 LEU A 17 3.571 6.897 2.590 1.00 0.00 C ATOM 246 CD2 LEU A 17 5.451 8.551 2.642 1.00 0.00 C ATOM 0 H LEU A 17 6.261 5.247 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 17 3.602 5.723 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.817 6.114 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.061 7.500 0.304 1.00 0.00 H new ATOM 0 HG LEU A 17 3.903 8.463 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.014 7.531 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.875 6.373 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.154 6.170 3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.872 9.167 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.079 7.865 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.080 9.191 2.024 1.00 0.00 H new ATOM 258 N ASP A 18 4.678 7.382 -2.430 1.00 0.00 N ATOM 259 CA ASP A 18 4.298 8.314 -3.491 1.00 0.00 C ATOM 260 C ASP A 18 3.200 7.714 -4.363 1.00 0.00 C ATOM 261 O ASP A 18 2.329 8.427 -4.863 1.00 0.00 O ATOM 262 CB ASP A 18 5.520 8.680 -4.342 1.00 0.00 C ATOM 263 CG ASP A 18 5.183 9.610 -5.492 1.00 0.00 C ATOM 264 OD1 ASP A 18 5.190 10.845 -5.292 1.00 0.00 O ATOM 265 OD2 ASP A 18 4.926 9.112 -6.607 1.00 0.00 O ATOM 0 H ASP A 18 5.528 6.853 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 18 3.911 9.223 -3.030 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.270 9.152 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.967 7.768 -4.738 1.00 0.00 H new ATOM 270 N PHE A 19 3.251 6.397 -4.541 1.00 0.00 N ATOM 271 CA PHE A 19 2.215 5.682 -5.283 1.00 0.00 C ATOM 272 C PHE A 19 0.874 5.764 -4.562 1.00 0.00 C ATOM 273 O PHE A 19 -0.161 5.999 -5.184 1.00 0.00 O ATOM 274 CB PHE A 19 2.594 4.213 -5.477 1.00 0.00 C ATOM 275 CG PHE A 19 3.467 3.952 -6.673 1.00 0.00 C ATOM 276 CD1 PHE A 19 2.923 3.942 -7.946 1.00 0.00 C ATOM 277 CD2 PHE A 19 4.822 3.711 -6.525 1.00 0.00 C ATOM 278 CE1 PHE A 19 3.714 3.698 -9.052 1.00 0.00 C ATOM 279 CE2 PHE A 19 5.619 3.466 -7.627 1.00 0.00 C ATOM 280 CZ PHE A 19 5.064 3.459 -8.892 1.00 0.00 C ATOM 0 H PHE A 19 3.998 5.803 -4.182 1.00 0.00 H new ATOM 0 HA PHE A 19 2.127 6.159 -6.259 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.108 3.861 -4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.682 3.624 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.867 4.127 -8.076 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.261 3.714 -5.538 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.277 3.694 -10.040 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.675 3.280 -7.499 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.685 3.267 -9.754 1.00 0.00 H new ATOM 290 N ILE A 20 0.900 5.560 -3.250 1.00 0.00 N ATOM 291 CA ILE A 20 -0.315 5.623 -2.452 1.00 0.00 C ATOM 292 C ILE A 20 -0.626 7.066 -2.059 1.00 0.00 C ATOM 293 O ILE A 20 -1.576 7.662 -2.558 1.00 0.00 O ATOM 294 CB ILE A 20 -0.214 4.746 -1.184 1.00 0.00 C ATOM 295 CG1 ILE A 20 0.095 3.292 -1.568 1.00 0.00 C ATOM 296 CG2 ILE A 20 -1.507 4.821 -0.382 1.00 0.00 C ATOM 297 CD1 ILE A 20 0.300 2.378 -0.380 1.00 0.00 C ATOM 0 H ILE A 20 1.746 5.351 -2.720 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.126 5.235 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 20 0.599 5.123 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.723 2.905 -2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.991 3.272 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.420 4.198 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.692 5.853 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.336 4.465 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.514 1.368 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.137 2.740 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.603 2.367 0.230 1.00 0.00 H new ATOM 309 N GLY A 21 0.207 7.640 -1.197 1.00 0.00 N ATOM 310 CA GLY A 21 -0.048 8.973 -0.688 1.00 0.00 C ATOM 311 C GLY A 21 0.395 10.067 -1.640 1.00 0.00 C ATOM 312 O GLY A 21 1.024 11.040 -1.227 1.00 0.00 O ATOM 0 H GLY A 21 1.057 7.203 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.114 9.082 -0.489 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.468 9.097 0.264 1.00 0.00 H new ATOM 316 N GLY A 22 0.069 9.904 -2.914 1.00 0.00 N ATOM 317 CA GLY A 22 0.371 10.923 -3.897 1.00 0.00 C ATOM 318 C GLY A 22 -0.777 11.897 -4.059 1.00 0.00 C ATOM 319 O GLY A 22 -0.663 12.893 -4.775 1.00 0.00 O ATOM 0 H GLY A 22 -0.402 9.079 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.269 11.464 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.588 10.452 -4.856 1.00 0.00 H new ATOM 323 N MET A 23 -1.889 11.587 -3.386 1.00 0.00 N ATOM 324 CA MET A 23 -3.084 12.432 -3.366 1.00 0.00 C ATOM 325 C MET A 23 -3.789 12.455 -4.720 1.00 0.00 C ATOM 326 O MET A 23 -3.326 13.086 -5.670 1.00 0.00 O ATOM 327 CB MET A 23 -2.753 13.865 -2.917 1.00 0.00 C ATOM 328 CG MET A 23 -3.975 14.771 -2.852 1.00 0.00 C ATOM 329 SD MET A 23 -3.581 16.457 -2.350 1.00 0.00 S ATOM 330 CE MET A 23 -5.219 17.181 -2.332 1.00 0.00 C ATOM 0 H MET A 23 -1.985 10.734 -2.835 1.00 0.00 H new ATOM 0 HA MET A 23 -3.765 11.990 -2.639 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.281 13.831 -1.935 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.026 14.296 -3.605 1.00 0.00 H new ATOM 0 HG2 MET A 23 -4.456 14.793 -3.830 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.696 14.349 -2.152 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.151 18.229 -2.039 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.659 17.110 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 23 -5.846 16.645 -1.619 1.00 0.00 H new ATOM 340 N ASN A 24 -4.907 11.750 -4.802 1.00 0.00 N ATOM 341 CA ASN A 24 -5.766 11.807 -5.979 1.00 0.00 C ATOM 342 C ASN A 24 -6.478 13.158 -6.023 1.00 0.00 C ATOM 343 O ASN A 24 -6.524 13.867 -5.017 1.00 0.00 O ATOM 344 CB ASN A 24 -6.772 10.644 -5.946 1.00 0.00 C ATOM 345 CG ASN A 24 -7.846 10.728 -7.018 1.00 0.00 C ATOM 346 OD1 ASN A 24 -8.935 11.252 -6.780 1.00 0.00 O ATOM 347 ND2 ASN A 24 -7.542 10.238 -8.209 1.00 0.00 N ATOM 0 H ASN A 24 -5.243 11.129 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.166 11.706 -6.883 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.231 9.705 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.251 10.618 -4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.221 10.287 -8.969 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.629 9.811 -8.367 1.00 0.00 H new ATOM 354 N THR A 25 -7.011 13.518 -7.188 1.00 0.00 N ATOM 355 CA THR A 25 -7.692 14.795 -7.374 1.00 0.00 C ATOM 356 C THR A 25 -8.788 15.009 -6.321 1.00 0.00 C ATOM 357 O THR A 25 -8.993 16.130 -5.845 1.00 0.00 O ATOM 358 CB THR A 25 -8.296 14.882 -8.790 1.00 0.00 C ATOM 359 OG1 THR A 25 -7.295 14.540 -9.766 1.00 0.00 O ATOM 360 CG2 THR A 25 -8.822 16.280 -9.073 1.00 0.00 C ATOM 0 H THR A 25 -6.983 12.936 -8.025 1.00 0.00 H new ATOM 0 HA THR A 25 -6.950 15.584 -7.252 1.00 0.00 H new ATOM 0 HB THR A 25 -9.128 14.180 -8.851 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.682 14.594 -10.665 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.243 16.314 -10.078 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.595 16.532 -8.347 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.006 16.998 -8.997 1.00 0.00 H new ATOM 368 N SER A 26 -9.475 13.934 -5.950 1.00 0.00 N ATOM 369 CA SER A 26 -10.476 13.998 -4.896 1.00 0.00 C ATOM 370 C SER A 26 -10.029 13.160 -3.695 1.00 0.00 C ATOM 371 O SER A 26 -9.985 13.653 -2.564 1.00 0.00 O ATOM 372 CB SER A 26 -11.832 13.526 -5.427 1.00 0.00 C ATOM 373 OG SER A 26 -11.720 12.271 -6.079 1.00 0.00 O ATOM 0 H SER A 26 -9.356 13.010 -6.364 1.00 0.00 H new ATOM 0 HA SER A 26 -10.584 15.031 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.541 13.448 -4.603 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.231 14.265 -6.122 1.00 0.00 H new ATOM 0 HG SER A 26 -12.491 12.139 -6.670 1.00 0.00 H new ATOM 379 N ALA A 27 -9.717 11.886 -3.952 1.00 0.00 N ATOM 380 CA ALA A 27 -9.118 10.989 -2.957 1.00 0.00 C ATOM 381 C ALA A 27 -9.984 10.816 -1.706 1.00 0.00 C ATOM 382 O ALA A 27 -9.506 10.337 -0.677 1.00 0.00 O ATOM 383 CB ALA A 27 -7.742 11.498 -2.564 1.00 0.00 C ATOM 0 H ALA A 27 -9.873 11.446 -4.859 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.038 10.008 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.303 10.827 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.102 11.535 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.832 12.498 -2.139 1.00 0.00 H new ATOM 389 N SER A 28 -11.258 11.153 -1.798 1.00 0.00 N ATOM 390 CA SER A 28 -12.124 11.127 -0.631 1.00 0.00 C ATOM 391 C SER A 28 -13.407 10.408 -0.979 1.00 0.00 C ATOM 392 O SER A 28 -13.941 9.618 -0.202 1.00 0.00 O ATOM 393 CB SER A 28 -12.418 12.552 -0.179 1.00 0.00 C ATOM 394 OG SER A 28 -11.218 13.289 0.007 1.00 0.00 O ATOM 0 H SER A 28 -11.714 11.446 -2.662 1.00 0.00 H new ATOM 0 HA SER A 28 -11.630 10.598 0.184 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.043 13.050 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.984 12.532 0.753 1.00 0.00 H new ATOM 0 HG SER A 28 -10.796 13.451 -0.862 1.00 0.00 H new ATOM 400 N VAL A 29 -13.874 10.691 -2.178 1.00 0.00 N ATOM 401 CA VAL A 29 -14.995 9.994 -2.768 1.00 0.00 C ATOM 402 C VAL A 29 -14.563 8.570 -3.126 1.00 0.00 C ATOM 403 O VAL A 29 -13.422 8.203 -2.841 1.00 0.00 O ATOM 404 CB VAL A 29 -15.440 10.747 -4.035 1.00 0.00 C ATOM 405 CG1 VAL A 29 -15.859 12.170 -3.700 1.00 0.00 C ATOM 406 CG2 VAL A 29 -14.332 10.746 -5.077 1.00 0.00 C ATOM 0 H VAL A 29 -13.481 11.419 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.827 9.950 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 29 -16.303 10.228 -4.452 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -16.169 12.682 -4.611 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.690 12.148 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -15.018 12.701 -3.254 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.667 11.283 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.448 11.235 -4.668 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.086 9.719 -5.346 1.00 0.00 H new ATOM 416 N PRO A 30 -15.444 7.731 -3.712 1.00 0.00 N ATOM 417 CA PRO A 30 -15.015 6.458 -4.297 1.00 0.00 C ATOM 418 C PRO A 30 -13.769 6.657 -5.156 1.00 0.00 C ATOM 419 O PRO A 30 -13.826 7.272 -6.226 1.00 0.00 O ATOM 420 CB PRO A 30 -16.215 6.038 -5.139 1.00 0.00 C ATOM 421 CG PRO A 30 -17.383 6.611 -4.415 1.00 0.00 C ATOM 422 CD PRO A 30 -16.908 7.911 -3.815 1.00 0.00 C ATOM 0 HA PRO A 30 -14.742 5.708 -3.555 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -16.145 6.427 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.287 4.953 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.219 6.778 -5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.734 5.929 -3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -17.164 8.762 -4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -17.360 8.091 -2.839 1.00 0.00 H new ATOM 430 N HIS A 31 -12.644 6.177 -4.642 1.00 0.00 N ATOM 431 CA HIS A 31 -11.336 6.457 -5.221 1.00 0.00 C ATOM 432 C HIS A 31 -11.258 6.037 -6.685 1.00 0.00 C ATOM 433 O HIS A 31 -11.825 5.019 -7.083 1.00 0.00 O ATOM 434 CB HIS A 31 -10.240 5.759 -4.416 1.00 0.00 C ATOM 435 CG HIS A 31 -10.004 6.342 -3.054 1.00 0.00 C ATOM 436 ND1 HIS A 31 -9.148 5.765 -2.143 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.484 7.463 -2.455 1.00 0.00 C ATOM 438 CE1 HIS A 31 -9.113 6.496 -1.048 1.00 0.00 C ATOM 439 NE2 HIS A 31 -9.911 7.537 -1.208 1.00 0.00 N ATOM 0 H HIS A 31 -12.612 5.583 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.185 7.536 -5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.501 4.706 -4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.309 5.800 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.186 8.166 -2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.529 6.280 -0.166 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -10.074 8.273 -0.521 1.00 0.00 H new ATOM 448 N SER A 32 -10.542 6.825 -7.474 1.00 0.00 N ATOM 449 CA SER A 32 -10.458 6.602 -8.910 1.00 0.00 C ATOM 450 C SER A 32 -9.401 5.549 -9.225 1.00 0.00 C ATOM 451 O SER A 32 -9.712 4.378 -9.441 1.00 0.00 O ATOM 452 CB SER A 32 -10.120 7.918 -9.618 1.00 0.00 C ATOM 453 OG SER A 32 -10.945 8.971 -9.147 1.00 0.00 O ATOM 0 H SER A 32 -10.008 7.628 -7.142 1.00 0.00 H new ATOM 0 HA SER A 32 -11.422 6.240 -9.268 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.072 8.168 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.251 7.801 -10.694 1.00 0.00 H new ATOM 0 HG SER A 32 -10.711 9.802 -9.611 1.00 0.00 H new ATOM 459 N MET A 33 -8.146 5.969 -9.225 1.00 0.00 N ATOM 460 CA MET A 33 -7.037 5.058 -9.460 1.00 0.00 C ATOM 461 C MET A 33 -6.424 4.672 -8.126 1.00 0.00 C ATOM 462 O MET A 33 -5.825 3.608 -7.972 1.00 0.00 O ATOM 463 CB MET A 33 -5.975 5.720 -10.342 1.00 0.00 C ATOM 464 CG MET A 33 -4.892 4.763 -10.814 1.00 0.00 C ATOM 465 SD MET A 33 -3.260 5.527 -10.859 1.00 0.00 S ATOM 466 CE MET A 33 -2.990 5.797 -9.109 1.00 0.00 C ATOM 0 H MET A 33 -7.869 6.938 -9.064 1.00 0.00 H new ATOM 0 HA MET A 33 -7.407 4.170 -9.973 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.461 6.162 -11.211 1.00 0.00 H new ATOM 0 HB3 MET A 33 -5.511 6.535 -9.787 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.865 3.897 -10.153 1.00 0.00 H new ATOM 0 HG3 MET A 33 -5.145 4.397 -11.809 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.920 5.783 -8.899 1.00 0.00 H new ATOM 0 HE2 MET A 33 -3.403 6.764 -8.822 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.482 5.009 -8.539 1.00 0.00 H new ATOM 476 N ASP A 34 -6.627 5.543 -7.150 1.00 0.00 N ATOM 477 CA ASP A 34 -6.059 5.388 -5.823 1.00 0.00 C ATOM 478 C ASP A 34 -6.849 4.371 -5.004 1.00 0.00 C ATOM 479 O ASP A 34 -6.655 4.237 -3.796 1.00 0.00 O ATOM 480 CB ASP A 34 -6.015 6.748 -5.113 1.00 0.00 C ATOM 481 CG ASP A 34 -7.365 7.448 -5.070 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.043 7.523 -6.124 1.00 0.00 O ATOM 483 OD2 ASP A 34 -7.744 7.942 -3.989 1.00 0.00 O ATOM 0 H ASP A 34 -7.195 6.383 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.041 5.010 -5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.654 6.607 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.296 7.392 -5.620 1.00 0.00 H new ATOM 488 N GLU A 35 -7.760 3.671 -5.664 1.00 0.00 N ATOM 489 CA GLU A 35 -8.422 2.533 -5.050 1.00 0.00 C ATOM 490 C GLU A 35 -7.827 1.240 -5.589 1.00 0.00 C ATOM 491 O GLU A 35 -7.076 0.555 -4.900 1.00 0.00 O ATOM 492 CB GLU A 35 -9.925 2.544 -5.320 1.00 0.00 C ATOM 493 CG GLU A 35 -10.689 1.567 -4.443 1.00 0.00 C ATOM 494 CD GLU A 35 -11.930 1.018 -5.112 1.00 0.00 C ATOM 495 OE1 GLU A 35 -12.883 1.785 -5.341 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.958 -0.196 -5.401 1.00 0.00 O ATOM 0 H GLU A 35 -8.055 3.871 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.267 2.600 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.311 3.550 -5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.103 2.300 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.033 0.740 -4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.973 2.065 -3.516 1.00 0.00 H new ATOM 503 N SER A 36 -8.154 0.937 -6.844 1.00 0.00 N ATOM 504 CA SER A 36 -7.761 -0.314 -7.482 1.00 0.00 C ATOM 505 C SER A 36 -6.239 -0.480 -7.504 1.00 0.00 C ATOM 506 O SER A 36 -5.711 -1.485 -7.022 1.00 0.00 O ATOM 507 CB SER A 36 -8.328 -0.364 -8.904 1.00 0.00 C ATOM 508 OG SER A 36 -8.144 -1.638 -9.491 1.00 0.00 O ATOM 0 H SER A 36 -8.699 1.554 -7.446 1.00 0.00 H new ATOM 0 HA SER A 36 -8.169 -1.140 -6.900 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.391 -0.123 -8.882 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.842 0.394 -9.518 1.00 0.00 H new ATOM 0 HG SER A 36 -8.943 -2.185 -9.342 1.00 0.00 H new ATOM 514 N THR A 37 -5.541 0.514 -8.046 1.00 0.00 N ATOM 515 CA THR A 37 -4.090 0.465 -8.151 1.00 0.00 C ATOM 516 C THR A 37 -3.439 0.379 -6.771 1.00 0.00 C ATOM 517 O THR A 37 -2.480 -0.371 -6.569 1.00 0.00 O ATOM 518 CB THR A 37 -3.557 1.696 -8.909 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.228 1.807 -10.171 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.058 1.598 -9.138 1.00 0.00 C ATOM 0 H THR A 37 -5.961 1.365 -8.420 1.00 0.00 H new ATOM 0 HA THR A 37 -3.830 -0.434 -8.710 1.00 0.00 H new ATOM 0 HB THR A 37 -3.751 2.581 -8.302 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.668 2.313 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.713 2.482 -9.675 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.547 1.535 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.837 0.707 -9.726 1.00 0.00 H new ATOM 528 N ALA A 38 -3.987 1.123 -5.816 1.00 0.00 N ATOM 529 CA ALA A 38 -3.461 1.128 -4.460 1.00 0.00 C ATOM 530 C ALA A 38 -3.643 -0.238 -3.804 1.00 0.00 C ATOM 531 O ALA A 38 -2.741 -0.734 -3.132 1.00 0.00 O ATOM 532 CB ALA A 38 -4.129 2.209 -3.631 1.00 0.00 C ATOM 0 H ALA A 38 -4.795 1.729 -5.958 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.394 1.343 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.722 2.196 -2.620 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.943 3.182 -4.085 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.203 2.026 -3.592 1.00 0.00 H new ATOM 538 N LYS A 39 -4.815 -0.843 -4.015 1.00 0.00 N ATOM 539 CA LYS A 39 -5.090 -2.185 -3.510 1.00 0.00 C ATOM 540 C LYS A 39 -4.071 -3.177 -4.052 1.00 0.00 C ATOM 541 O LYS A 39 -3.496 -3.956 -3.296 1.00 0.00 O ATOM 542 CB LYS A 39 -6.501 -2.641 -3.899 1.00 0.00 C ATOM 543 CG LYS A 39 -7.616 -1.947 -3.133 1.00 0.00 C ATOM 544 CD LYS A 39 -8.982 -2.326 -3.687 1.00 0.00 C ATOM 545 CE LYS A 39 -10.109 -1.719 -2.871 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.433 -1.948 -3.505 1.00 0.00 N ATOM 0 H LYS A 39 -5.587 -0.422 -4.532 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.019 -2.151 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.645 -2.467 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.580 -3.716 -3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.560 -2.218 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.484 -0.867 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.061 -1.991 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.083 -3.411 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.106 -2.150 -1.870 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.940 -0.648 -2.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.163 -2.021 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.657 -1.153 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.407 -2.831 -4.054 1.00 0.00 H new ATOM 560 N GLY A 40 -3.845 -3.128 -5.362 1.00 0.00 N ATOM 561 CA GLY A 40 -2.899 -4.032 -5.994 1.00 0.00 C ATOM 562 C GLY A 40 -1.513 -3.943 -5.385 1.00 0.00 C ATOM 563 O GLY A 40 -0.905 -4.964 -5.061 1.00 0.00 O ATOM 0 H GLY A 40 -4.302 -2.476 -5.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.265 -5.055 -5.907 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.840 -3.804 -7.058 1.00 0.00 H new ATOM 567 N ILE A 41 -1.023 -2.720 -5.217 1.00 0.00 N ATOM 568 CA ILE A 41 0.287 -2.489 -4.620 1.00 0.00 C ATOM 569 C ILE A 41 0.319 -2.989 -3.178 1.00 0.00 C ATOM 570 O ILE A 41 1.254 -3.675 -2.761 1.00 0.00 O ATOM 571 CB ILE A 41 0.647 -0.985 -4.647 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.713 -0.490 -6.095 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.965 -0.726 -3.928 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.989 0.992 -6.222 1.00 0.00 C ATOM 0 H ILE A 41 -1.516 -1.869 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 41 1.020 -3.042 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.132 -0.432 -4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.491 -1.041 -6.622 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.231 -0.718 -6.590 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.195 0.339 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.882 -1.047 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.763 -1.285 -4.418 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.021 1.267 -7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.198 1.553 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.947 1.225 -5.757 1.00 0.00 H new ATOM 586 N LEU A 42 -0.728 -2.658 -2.434 1.00 0.00 N ATOM 587 CA LEU A 42 -0.823 -3.011 -1.026 1.00 0.00 C ATOM 588 C LEU A 42 -0.870 -4.529 -0.838 1.00 0.00 C ATOM 589 O LEU A 42 -0.266 -5.071 0.094 1.00 0.00 O ATOM 590 CB LEU A 42 -2.068 -2.360 -0.418 1.00 0.00 C ATOM 591 CG LEU A 42 -2.171 -2.419 1.103 1.00 0.00 C ATOM 592 CD1 LEU A 42 -1.000 -1.691 1.747 1.00 0.00 C ATOM 593 CD2 LEU A 42 -3.488 -1.813 1.555 1.00 0.00 C ATOM 0 H LEU A 42 -1.532 -2.139 -2.789 1.00 0.00 H new ATOM 0 HA LEU A 42 0.066 -2.641 -0.515 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.095 -1.315 -0.725 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.950 -2.840 -0.842 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.137 -3.462 1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.091 -1.744 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.066 -2.160 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.003 -0.647 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.555 -1.858 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.540 -0.774 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.315 -2.372 1.117 1.00 0.00 H new ATOM 605 N LYS A 43 -1.587 -5.210 -1.725 1.00 0.00 N ATOM 606 CA LYS A 43 -1.691 -6.663 -1.675 1.00 0.00 C ATOM 607 C LYS A 43 -0.361 -7.309 -2.037 1.00 0.00 C ATOM 608 O LYS A 43 0.037 -8.301 -1.431 1.00 0.00 O ATOM 609 CB LYS A 43 -2.787 -7.159 -2.621 1.00 0.00 C ATOM 610 CG LYS A 43 -4.186 -6.727 -2.209 1.00 0.00 C ATOM 611 CD LYS A 43 -5.247 -7.173 -3.207 1.00 0.00 C ATOM 612 CE LYS A 43 -5.605 -8.648 -3.058 1.00 0.00 C ATOM 613 NZ LYS A 43 -4.533 -9.557 -3.545 1.00 0.00 N ATOM 0 H LYS A 43 -2.106 -4.777 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.953 -6.947 -0.656 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.583 -6.790 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.750 -8.247 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.417 -7.141 -1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.215 -5.642 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.144 -6.569 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.888 -6.990 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.808 -8.863 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.524 -8.851 -3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.960 -10.350 -4.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.894 -9.033 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.994 -9.924 -2.735 1.00 0.00 H new ATOM 627 N TYR A 44 0.325 -6.727 -3.019 1.00 0.00 N ATOM 628 CA TYR A 44 1.620 -7.233 -3.461 1.00 0.00 C ATOM 629 C TYR A 44 2.631 -7.211 -2.313 1.00 0.00 C ATOM 630 O TYR A 44 3.360 -8.181 -2.100 1.00 0.00 O ATOM 631 CB TYR A 44 2.143 -6.410 -4.647 1.00 0.00 C ATOM 632 CG TYR A 44 3.459 -6.910 -5.207 1.00 0.00 C ATOM 633 CD1 TYR A 44 3.500 -7.982 -6.090 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.660 -6.310 -4.848 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.702 -8.447 -6.592 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.863 -6.767 -5.352 1.00 0.00 C ATOM 637 CZ TYR A 44 5.877 -7.835 -6.219 1.00 0.00 C ATOM 638 OH TYR A 44 7.072 -8.306 -6.709 1.00 0.00 O ATOM 0 H TYR A 44 0.003 -5.902 -3.524 1.00 0.00 H new ATOM 0 HA TYR A 44 1.489 -8.266 -3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.395 -6.418 -5.440 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.263 -5.373 -4.333 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.579 -8.460 -6.389 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.653 -5.474 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.718 -9.285 -7.273 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.788 -6.288 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 44 7.771 -8.192 -6.032 1.00 0.00 H new ATOM 648 N LEU A 45 2.655 -6.108 -1.571 1.00 0.00 N ATOM 649 CA LEU A 45 3.575 -5.951 -0.444 1.00 0.00 C ATOM 650 C LEU A 45 3.327 -7.011 0.628 1.00 0.00 C ATOM 651 O LEU A 45 4.263 -7.657 1.110 1.00 0.00 O ATOM 652 CB LEU A 45 3.433 -4.553 0.165 1.00 0.00 C ATOM 653 CG LEU A 45 3.753 -3.392 -0.778 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.535 -2.064 -0.074 1.00 0.00 C ATOM 655 CD2 LEU A 45 5.184 -3.494 -1.291 1.00 0.00 C ATOM 0 H LEU A 45 2.046 -5.305 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 45 4.589 -6.079 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.412 -4.435 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.088 -4.485 1.033 1.00 0.00 H new ATOM 0 HG LEU A 45 3.079 -3.448 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.767 -1.247 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.495 -1.987 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.186 -2.003 0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.391 -2.659 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.875 -3.464 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.311 -4.432 -1.832 1.00 0.00 H new ATOM 667 N HIS A 46 2.060 -7.193 0.990 1.00 0.00 N ATOM 668 CA HIS A 46 1.690 -8.178 2.009 1.00 0.00 C ATOM 669 C HIS A 46 1.989 -9.593 1.527 1.00 0.00 C ATOM 670 O HIS A 46 2.401 -10.449 2.307 1.00 0.00 O ATOM 671 CB HIS A 46 0.205 -8.066 2.367 1.00 0.00 C ATOM 672 CG HIS A 46 -0.148 -6.875 3.209 1.00 0.00 C ATOM 673 ND1 HIS A 46 -0.606 -5.687 2.682 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.136 -6.704 4.553 1.00 0.00 C ATOM 675 CE1 HIS A 46 -0.865 -4.840 3.660 1.00 0.00 C ATOM 676 NE2 HIS A 46 -0.587 -5.431 4.806 1.00 0.00 N ATOM 0 H HIS A 46 1.274 -6.676 0.597 1.00 0.00 H new ATOM 0 HA HIS A 46 2.285 -7.969 2.898 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.375 -8.027 1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.097 -8.970 2.896 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.726 -5.492 1.688 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.171 -7.433 5.289 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.241 -3.834 3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.690 -5.011 5.730 1.00 0.00 H new ATOM 685 N ASP A 47 1.790 -9.820 0.233 1.00 0.00 N ATOM 686 CA ASP A 47 1.987 -11.138 -0.362 1.00 0.00 C ATOM 687 C ASP A 47 3.460 -11.532 -0.343 1.00 0.00 C ATOM 688 O ASP A 47 3.795 -12.710 -0.205 1.00 0.00 O ATOM 689 CB ASP A 47 1.456 -11.154 -1.799 1.00 0.00 C ATOM 690 CG ASP A 47 1.542 -12.525 -2.440 1.00 0.00 C ATOM 691 OD1 ASP A 47 0.648 -13.360 -2.190 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.500 -12.771 -3.202 1.00 0.00 O ATOM 0 H ASP A 47 1.490 -9.103 -0.428 1.00 0.00 H new ATOM 0 HA ASP A 47 1.432 -11.865 0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.418 -10.821 -1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.022 -10.441 -2.399 1.00 0.00 H new ATOM 697 N LEU A 48 4.341 -10.544 -0.480 1.00 0.00 N ATOM 698 CA LEU A 48 5.776 -10.789 -0.408 1.00 0.00 C ATOM 699 C LEU A 48 6.174 -11.225 0.992 1.00 0.00 C ATOM 700 O LEU A 48 6.930 -12.182 1.165 1.00 0.00 O ATOM 701 CB LEU A 48 6.566 -9.535 -0.785 1.00 0.00 C ATOM 702 CG LEU A 48 6.417 -9.074 -2.232 1.00 0.00 C ATOM 703 CD1 LEU A 48 7.276 -7.848 -2.480 1.00 0.00 C ATOM 704 CD2 LEU A 48 6.790 -10.191 -3.198 1.00 0.00 C ATOM 0 H LEU A 48 4.086 -9.570 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 48 6.009 -11.583 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.257 -8.721 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.622 -9.719 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 48 5.373 -8.813 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.162 -7.527 -3.516 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.963 -7.044 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.321 -8.091 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.676 -9.839 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.825 -10.487 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.136 -11.047 -3.034 1.00 0.00 H new ATOM 716 N GLY A 49 5.655 -10.524 1.989 1.00 0.00 N ATOM 717 CA GLY A 49 6.017 -10.819 3.357 1.00 0.00 C ATOM 718 C GLY A 49 6.236 -9.572 4.184 1.00 0.00 C ATOM 719 O GLY A 49 6.651 -9.655 5.339 1.00 0.00 O ATOM 0 H GLY A 49 4.991 -9.758 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.232 -11.420 3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.926 -11.421 3.366 1.00 0.00 H new ATOM 723 N VAL A 50 5.978 -8.416 3.588 1.00 0.00 N ATOM 724 CA VAL A 50 6.051 -7.153 4.304 1.00 0.00 C ATOM 725 C VAL A 50 4.640 -6.671 4.625 1.00 0.00 C ATOM 726 O VAL A 50 3.983 -6.027 3.803 1.00 0.00 O ATOM 727 CB VAL A 50 6.802 -6.078 3.488 1.00 0.00 C ATOM 728 CG1 VAL A 50 6.969 -4.800 4.296 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.156 -6.599 3.025 1.00 0.00 C ATOM 0 H VAL A 50 5.715 -8.328 2.606 1.00 0.00 H new ATOM 0 HA VAL A 50 6.608 -7.316 5.227 1.00 0.00 H new ATOM 0 HB VAL A 50 6.204 -5.847 2.607 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.501 -4.059 3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.988 -4.411 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.538 -5.013 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.667 -5.825 2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.759 -6.866 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.012 -7.479 2.398 1.00 0.00 H new ATOM 739 N PRO A 51 4.136 -7.009 5.814 1.00 0.00 N ATOM 740 CA PRO A 51 2.778 -6.702 6.196 1.00 0.00 C ATOM 741 C PRO A 51 2.649 -5.357 6.898 1.00 0.00 C ATOM 742 O PRO A 51 2.768 -5.259 8.121 1.00 0.00 O ATOM 743 CB PRO A 51 2.432 -7.855 7.132 1.00 0.00 C ATOM 744 CG PRO A 51 3.730 -8.248 7.769 1.00 0.00 C ATOM 745 CD PRO A 51 4.846 -7.713 6.894 1.00 0.00 C ATOM 0 HA PRO A 51 2.112 -6.612 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.703 -7.548 7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.994 -8.689 6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.802 -7.838 8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.800 -9.332 7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.501 -7.040 7.447 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.470 -8.517 6.505 1.00 0.00 H new ATOM 753 N VAL A 52 2.449 -4.310 6.114 1.00 0.00 N ATOM 754 CA VAL A 52 2.155 -3.001 6.671 1.00 0.00 C ATOM 755 C VAL A 52 0.753 -3.008 7.280 1.00 0.00 C ATOM 756 O VAL A 52 -0.228 -3.363 6.619 1.00 0.00 O ATOM 757 CB VAL A 52 2.292 -1.875 5.613 1.00 0.00 C ATOM 758 CG1 VAL A 52 1.438 -2.155 4.387 1.00 0.00 C ATOM 759 CG2 VAL A 52 1.945 -0.518 6.215 1.00 0.00 C ATOM 0 H VAL A 52 2.485 -4.341 5.095 1.00 0.00 H new ATOM 0 HA VAL A 52 2.887 -2.791 7.451 1.00 0.00 H new ATOM 0 HB VAL A 52 3.333 -1.851 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.559 -1.346 3.667 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.751 -3.095 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.391 -2.226 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.049 0.255 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.918 -0.533 6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.620 -0.304 7.043 1.00 0.00 H new ATOM 769 N SER A 53 0.676 -2.667 8.554 1.00 0.00 N ATOM 770 CA SER A 53 -0.587 -2.684 9.275 1.00 0.00 C ATOM 771 C SER A 53 -1.305 -1.342 9.150 1.00 0.00 C ATOM 772 O SER A 53 -0.663 -0.310 8.923 1.00 0.00 O ATOM 773 CB SER A 53 -0.329 -3.010 10.746 1.00 0.00 C ATOM 774 OG SER A 53 0.454 -4.184 10.870 1.00 0.00 O ATOM 0 H SER A 53 1.476 -2.373 9.114 1.00 0.00 H new ATOM 0 HA SER A 53 -1.229 -3.450 8.840 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.182 -2.174 11.224 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.278 -3.143 11.266 1.00 0.00 H new ATOM 0 HG SER A 53 0.610 -4.375 11.819 1.00 0.00 H new ATOM 780 N PRO A 54 -2.648 -1.343 9.279 1.00 0.00 N ATOM 781 CA PRO A 54 -3.462 -0.123 9.255 1.00 0.00 C ATOM 782 C PRO A 54 -2.930 0.950 10.202 1.00 0.00 C ATOM 783 O PRO A 54 -2.960 2.134 9.876 1.00 0.00 O ATOM 784 CB PRO A 54 -4.857 -0.589 9.701 1.00 0.00 C ATOM 785 CG PRO A 54 -4.698 -2.010 10.136 1.00 0.00 C ATOM 786 CD PRO A 54 -3.481 -2.541 9.438 1.00 0.00 C ATOM 0 HA PRO A 54 -3.457 0.338 8.267 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.232 0.029 10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.575 -0.509 8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.582 -2.073 11.218 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.580 -2.595 9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.979 -3.307 10.028 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.730 -2.991 8.477 1.00 0.00 H new ATOM 794 N GLU A 55 -2.442 0.518 11.367 1.00 0.00 N ATOM 795 CA GLU A 55 -1.809 1.413 12.337 1.00 0.00 C ATOM 796 C GLU A 55 -0.774 2.301 11.661 1.00 0.00 C ATOM 797 O GLU A 55 -0.800 3.526 11.795 1.00 0.00 O ATOM 798 CB GLU A 55 -1.128 0.587 13.429 1.00 0.00 C ATOM 799 CG GLU A 55 -0.402 1.420 14.472 1.00 0.00 C ATOM 800 CD GLU A 55 0.367 0.563 15.457 1.00 0.00 C ATOM 801 OE1 GLU A 55 1.461 0.081 15.103 1.00 0.00 O ATOM 802 OE2 GLU A 55 -0.127 0.356 16.586 1.00 0.00 O ATOM 0 H GLU A 55 -2.474 -0.458 11.663 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.581 2.046 12.775 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.878 -0.027 13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.416 -0.095 12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.286 2.103 13.974 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.124 2.032 15.012 1.00 0.00 H new ATOM 809 N VAL A 56 0.124 1.666 10.917 1.00 0.00 N ATOM 810 CA VAL A 56 1.204 2.367 10.246 1.00 0.00 C ATOM 811 C VAL A 56 0.649 3.312 9.188 1.00 0.00 C ATOM 812 O VAL A 56 1.104 4.448 9.061 1.00 0.00 O ATOM 813 CB VAL A 56 2.183 1.375 9.585 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.393 2.101 9.022 1.00 0.00 C ATOM 815 CG2 VAL A 56 2.612 0.306 10.578 1.00 0.00 C ATOM 0 H VAL A 56 0.122 0.657 10.765 1.00 0.00 H new ATOM 0 HA VAL A 56 1.743 2.943 10.998 1.00 0.00 H new ATOM 0 HB VAL A 56 1.666 0.888 8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.068 1.380 8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.068 2.823 8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.912 2.621 9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.302 -0.385 10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.106 0.776 11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.735 -0.241 10.925 1.00 0.00 H new ATOM 825 N VAL A 57 -0.346 2.838 8.445 1.00 0.00 N ATOM 826 CA VAL A 57 -0.972 3.639 7.396 1.00 0.00 C ATOM 827 C VAL A 57 -1.617 4.891 7.984 1.00 0.00 C ATOM 828 O VAL A 57 -1.408 5.998 7.489 1.00 0.00 O ATOM 829 CB VAL A 57 -2.043 2.834 6.624 1.00 0.00 C ATOM 830 CG1 VAL A 57 -2.669 3.673 5.520 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.445 1.555 6.059 1.00 0.00 C ATOM 0 H VAL A 57 -0.737 1.902 8.549 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.182 3.925 6.701 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.833 2.563 7.324 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.418 3.081 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.142 4.553 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.896 3.986 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.213 1.002 5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.631 1.804 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.061 0.942 6.874 1.00 0.00 H new ATOM 841 N VAL A 58 -2.387 4.707 9.054 1.00 0.00 N ATOM 842 CA VAL A 58 -3.079 5.815 9.706 1.00 0.00 C ATOM 843 C VAL A 58 -2.087 6.848 10.228 1.00 0.00 C ATOM 844 O VAL A 58 -2.199 8.030 9.919 1.00 0.00 O ATOM 845 CB VAL A 58 -3.973 5.330 10.870 1.00 0.00 C ATOM 846 CG1 VAL A 58 -4.595 6.506 11.610 1.00 0.00 C ATOM 847 CG2 VAL A 58 -5.059 4.400 10.358 1.00 0.00 C ATOM 0 H VAL A 58 -2.547 3.798 9.489 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.715 6.275 8.950 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.342 4.781 11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.219 6.135 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.806 7.138 12.017 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.206 7.088 10.920 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.678 4.069 11.192 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.679 4.928 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.601 3.534 9.880 1.00 0.00 H new ATOM 857 N ALA A 59 -1.106 6.396 11.000 1.00 0.00 N ATOM 858 CA ALA A 59 -0.125 7.298 11.591 1.00 0.00 C ATOM 859 C ALA A 59 0.704 7.999 10.517 1.00 0.00 C ATOM 860 O ALA A 59 1.026 9.181 10.646 1.00 0.00 O ATOM 861 CB ALA A 59 0.778 6.544 12.551 1.00 0.00 C ATOM 0 H ALA A 59 -0.969 5.412 11.231 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.667 8.063 12.147 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.505 7.232 12.983 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.177 6.104 13.347 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.302 5.754 12.013 1.00 0.00 H new ATOM 867 N ARG A 60 1.043 7.271 9.458 1.00 0.00 N ATOM 868 CA ARG A 60 1.804 7.840 8.354 1.00 0.00 C ATOM 869 C ARG A 60 0.966 8.870 7.604 1.00 0.00 C ATOM 870 O ARG A 60 1.422 9.985 7.356 1.00 0.00 O ATOM 871 CB ARG A 60 2.282 6.731 7.410 1.00 0.00 C ATOM 872 CG ARG A 60 2.965 7.226 6.141 1.00 0.00 C ATOM 873 CD ARG A 60 4.124 8.167 6.433 1.00 0.00 C ATOM 874 NE ARG A 60 5.180 7.541 7.229 1.00 0.00 N ATOM 875 CZ ARG A 60 6.417 8.031 7.328 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.723 9.207 6.790 1.00 0.00 N ATOM 877 NH2 ARG A 60 7.341 7.369 8.013 1.00 0.00 N ATOM 0 H ARG A 60 0.802 6.287 9.342 1.00 0.00 H new ATOM 0 HA ARG A 60 2.681 8.346 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.974 6.085 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.426 6.117 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.330 6.371 5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.234 7.738 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 60 4.546 8.518 5.491 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.749 9.044 6.961 1.00 0.00 H new ATOM 0 HE ARG A 60 4.959 6.684 7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.009 9.743 6.296 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.671 9.574 6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.106 6.485 8.464 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.287 7.744 8.088 1.00 0.00 H new ATOM 891 N GLY A 61 -0.265 8.502 7.268 1.00 0.00 N ATOM 892 CA GLY A 61 -1.156 9.422 6.587 1.00 0.00 C ATOM 893 C GLY A 61 -1.447 10.649 7.422 1.00 0.00 C ATOM 894 O GLY A 61 -1.520 11.765 6.902 1.00 0.00 O ATOM 0 H GLY A 61 -0.662 7.581 7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.710 9.725 5.640 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.091 8.914 6.351 1.00 0.00 H new ATOM 898 N GLU A 62 -1.596 10.428 8.719 1.00 0.00 N ATOM 899 CA GLU A 62 -1.812 11.496 9.679 1.00 0.00 C ATOM 900 C GLU A 62 -0.636 12.477 9.667 1.00 0.00 C ATOM 901 O GLU A 62 -0.825 13.691 9.753 1.00 0.00 O ATOM 902 CB GLU A 62 -1.984 10.881 11.071 1.00 0.00 C ATOM 903 CG GLU A 62 -2.349 11.870 12.158 1.00 0.00 C ATOM 904 CD GLU A 62 -2.539 11.199 13.501 1.00 0.00 C ATOM 905 OE1 GLU A 62 -1.533 10.988 14.211 1.00 0.00 O ATOM 906 OE2 GLU A 62 -3.696 10.872 13.846 1.00 0.00 O ATOM 0 H GLU A 62 -1.570 9.497 9.136 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.711 12.051 9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.757 10.114 11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.056 10.381 11.350 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.566 12.624 12.238 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.266 12.390 11.881 1.00 0.00 H new ATOM 913 N GLN A 63 0.571 11.940 9.533 1.00 0.00 N ATOM 914 CA GLN A 63 1.775 12.756 9.553 1.00 0.00 C ATOM 915 C GLN A 63 1.949 13.520 8.246 1.00 0.00 C ATOM 916 O GLN A 63 2.151 14.737 8.253 1.00 0.00 O ATOM 917 CB GLN A 63 3.009 11.890 9.812 1.00 0.00 C ATOM 918 CG GLN A 63 4.257 12.702 10.120 1.00 0.00 C ATOM 919 CD GLN A 63 5.511 11.854 10.191 1.00 0.00 C ATOM 920 OE1 GLN A 63 5.585 10.830 9.356 1.00 0.00 O flip ATOM 921 NE2 GLN A 63 6.425 12.146 10.962 1.00 0.00 N flip ATOM 0 H GLN A 63 0.740 10.942 9.409 1.00 0.00 H new ATOM 0 HA GLN A 63 1.668 13.478 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.805 11.219 10.646 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.196 11.265 8.939 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.385 13.467 9.354 1.00 0.00 H new ATOM 0 HG3 GLN A 63 4.121 13.221 11.069 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.327 12.944 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.280 11.590 10.973 1.00 0.00 H new ATOM 930 N GLU A 64 1.859 12.809 7.130 1.00 0.00 N ATOM 931 CA GLU A 64 2.100 13.409 5.821 1.00 0.00 C ATOM 932 C GLU A 64 1.034 14.448 5.514 1.00 0.00 C ATOM 933 O GLU A 64 1.332 15.536 5.021 1.00 0.00 O ATOM 934 CB GLU A 64 2.108 12.349 4.715 1.00 0.00 C ATOM 935 CG GLU A 64 3.017 11.160 4.985 1.00 0.00 C ATOM 936 CD GLU A 64 4.425 11.560 5.368 1.00 0.00 C ATOM 937 OE1 GLU A 64 5.141 12.129 4.522 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.823 11.298 6.523 1.00 0.00 O ATOM 0 H GLU A 64 1.621 11.817 7.103 1.00 0.00 H new ATOM 0 HA GLU A 64 3.080 13.886 5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.090 11.986 4.570 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.415 12.820 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.587 10.557 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.054 10.530 4.096 1.00 0.00 H new ATOM 945 N GLY A 65 -0.206 14.110 5.824 1.00 0.00 N ATOM 946 CA GLY A 65 -1.299 15.020 5.581 1.00 0.00 C ATOM 947 C GLY A 65 -2.252 14.496 4.536 1.00 0.00 C ATOM 948 O GLY A 65 -2.573 15.195 3.576 1.00 0.00 O ATOM 0 H GLY A 65 -0.474 13.219 6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.841 15.192 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.903 15.983 5.260 1.00 0.00 H new ATOM 952 N TRP A 66 -2.688 13.255 4.709 1.00 0.00 N ATOM 953 CA TRP A 66 -3.645 12.652 3.795 1.00 0.00 C ATOM 954 C TRP A 66 -5.061 12.973 4.254 1.00 0.00 C ATOM 955 O TRP A 66 -5.277 13.380 5.398 1.00 0.00 O ATOM 956 CB TRP A 66 -3.481 11.128 3.731 1.00 0.00 C ATOM 957 CG TRP A 66 -2.106 10.642 3.374 1.00 0.00 C ATOM 958 CD1 TRP A 66 -1.016 11.385 3.017 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.682 9.274 3.349 1.00 0.00 C ATOM 960 NE1 TRP A 66 0.058 10.560 2.775 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.328 9.262 2.975 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.323 8.056 3.610 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.401 8.083 2.860 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -1.598 6.885 3.493 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.247 6.906 3.122 1.00 0.00 C ATOM 0 H TRP A 66 -2.393 12.648 5.474 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.461 13.063 2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.756 10.709 4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.188 10.734 3.001 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -1.000 12.462 2.937 1.00 0.00 H new ATOM 0 HE1 TRP A 66 0.989 10.865 2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.364 8.032 3.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.442 8.096 2.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.080 5.939 3.691 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.294 5.975 3.041 1.00 0.00 H new ATOM 976 N ASN A 67 -6.018 12.790 3.360 1.00 0.00 N ATOM 977 CA ASN A 67 -7.423 12.979 3.699 1.00 0.00 C ATOM 978 C ASN A 67 -7.922 11.807 4.540 1.00 0.00 C ATOM 979 O ASN A 67 -7.495 10.669 4.330 1.00 0.00 O ATOM 980 CB ASN A 67 -8.275 13.122 2.430 1.00 0.00 C ATOM 981 CG ASN A 67 -8.062 14.450 1.725 1.00 0.00 C ATOM 982 OD1 ASN A 67 -6.991 15.049 1.814 1.00 0.00 O ATOM 983 ND2 ASN A 67 -9.076 14.911 1.010 1.00 0.00 N ATOM 0 H ASN A 67 -5.850 12.511 2.393 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.517 13.897 4.279 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -8.036 12.309 1.744 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.328 13.019 2.691 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.986 15.794 0.507 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.948 14.384 0.962 1.00 0.00 H new ATOM 990 N PRO A 68 -8.806 12.077 5.517 1.00 0.00 N ATOM 991 CA PRO A 68 -9.381 11.047 6.396 1.00 0.00 C ATOM 992 C PRO A 68 -9.906 9.838 5.628 1.00 0.00 C ATOM 993 O PRO A 68 -9.488 8.709 5.876 1.00 0.00 O ATOM 994 CB PRO A 68 -10.528 11.780 7.089 1.00 0.00 C ATOM 995 CG PRO A 68 -10.090 13.201 7.128 1.00 0.00 C ATOM 996 CD PRO A 68 -9.295 13.425 5.869 1.00 0.00 C ATOM 0 HA PRO A 68 -8.637 10.638 7.080 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.462 11.667 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.700 11.390 8.092 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.947 13.872 7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.484 13.398 8.012 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.912 13.846 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.471 14.119 6.034 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.807 10.087 4.680 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.385 9.023 3.864 1.00 0.00 C ATOM 1006 C GLU A 69 -10.311 8.262 3.098 1.00 0.00 C ATOM 1007 O GLU A 69 -10.395 7.046 2.940 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.416 9.597 2.891 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.769 9.853 3.526 1.00 0.00 C ATOM 1010 CD GLU A 69 -14.540 8.571 3.779 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -14.007 7.664 4.450 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -15.686 8.456 3.295 1.00 0.00 O ATOM 0 H GLU A 69 -11.153 11.020 4.458 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.880 8.323 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.034 10.531 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.540 8.907 2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.631 10.383 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.355 10.504 2.877 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.298 8.978 2.633 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.200 8.359 1.909 1.00 0.00 C ATOM 1021 C PHE A 70 -7.432 7.414 2.826 1.00 0.00 C ATOM 1022 O PHE A 70 -7.232 6.244 2.502 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.260 9.430 1.349 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.139 8.874 0.520 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.351 8.533 -0.804 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -4.877 8.690 1.063 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.328 8.019 -1.573 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -3.850 8.177 0.299 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.075 7.841 -1.021 1.00 0.00 C ATOM 0 H PHE A 70 -9.214 9.988 2.745 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.611 7.786 1.077 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.838 10.127 0.742 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.840 10.001 2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.329 8.671 -1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.696 8.951 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.507 7.756 -2.605 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.871 8.038 0.733 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.272 7.439 -1.621 1.00 0.00 H new ATOM 1039 N THR A 71 -7.036 7.931 3.979 1.00 0.00 N ATOM 1040 CA THR A 71 -6.240 7.179 4.933 1.00 0.00 C ATOM 1041 C THR A 71 -7.022 5.987 5.486 1.00 0.00 C ATOM 1042 O THR A 71 -6.504 4.870 5.548 1.00 0.00 O ATOM 1043 CB THR A 71 -5.797 8.083 6.097 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.275 9.312 5.578 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.739 7.401 6.948 1.00 0.00 C ATOM 0 H THR A 71 -7.257 8.881 4.278 1.00 0.00 H new ATOM 0 HA THR A 71 -5.360 6.808 4.407 1.00 0.00 H new ATOM 0 HB THR A 71 -6.665 8.283 6.725 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.015 9.883 5.283 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.445 8.063 7.763 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.144 6.476 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.868 7.174 6.333 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.272 6.235 5.864 1.00 0.00 N ATOM 1054 CA LYS A 72 -9.116 5.205 6.460 1.00 0.00 C ATOM 1055 C LYS A 72 -9.343 4.055 5.487 1.00 0.00 C ATOM 1056 O LYS A 72 -9.317 2.887 5.879 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.459 5.799 6.893 1.00 0.00 C ATOM 1058 CG LYS A 72 -11.321 4.831 7.686 1.00 0.00 C ATOM 1059 CD LYS A 72 -12.639 5.464 8.097 1.00 0.00 C ATOM 1060 CE LYS A 72 -13.420 4.550 9.027 1.00 0.00 C ATOM 1061 NZ LYS A 72 -14.689 5.174 9.487 1.00 0.00 N ATOM 0 H LYS A 72 -8.724 7.144 5.768 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.602 4.815 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.277 6.689 7.496 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.008 6.121 6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.515 3.941 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.780 4.505 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.449 6.416 8.593 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.234 5.680 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.642 3.614 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.804 4.301 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.190 4.517 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.477 6.054 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.289 5.388 8.665 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.563 4.389 4.219 1.00 0.00 N ATOM 1076 CA LYS A 73 -9.765 3.377 3.190 1.00 0.00 C ATOM 1077 C LYS A 73 -8.548 2.469 3.078 1.00 0.00 C ATOM 1078 O LYS A 73 -8.657 1.257 3.257 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.056 4.025 1.832 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.530 4.024 1.446 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.386 4.711 2.491 1.00 0.00 C ATOM 1082 CE LYS A 73 -13.833 4.841 2.043 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.701 5.403 3.117 1.00 0.00 N ATOM 0 H LYS A 73 -9.606 5.350 3.881 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.627 2.777 3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.696 5.054 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.489 3.501 1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.655 4.526 0.487 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.871 2.997 1.315 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.344 4.147 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.980 5.701 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.884 5.482 1.163 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.210 3.862 1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.493 5.922 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.072 4.629 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.144 6.051 3.710 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.388 3.064 2.814 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.162 2.298 2.613 1.00 0.00 C ATOM 1099 C VAL A 74 -5.840 1.449 3.843 1.00 0.00 C ATOM 1100 O VAL A 74 -5.426 0.295 3.723 1.00 0.00 O ATOM 1101 CB VAL A 74 -4.961 3.220 2.295 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -3.707 2.408 2.022 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.271 4.126 1.114 1.00 0.00 C ATOM 0 H VAL A 74 -7.271 4.074 2.734 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.332 1.642 1.759 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.781 3.844 3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.879 3.081 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.464 1.808 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.878 1.751 1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.412 4.765 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.488 3.518 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.136 4.746 1.348 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.056 2.018 5.022 1.00 0.00 N ATOM 1114 CA ALA A 75 -5.831 1.301 6.266 1.00 0.00 C ATOM 1115 C ALA A 75 -6.742 0.081 6.366 1.00 0.00 C ATOM 1116 O ALA A 75 -6.334 -0.973 6.854 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.052 2.224 7.451 1.00 0.00 C ATOM 0 H ALA A 75 -6.387 2.975 5.141 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.798 0.954 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.880 1.675 8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.359 3.063 7.393 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.076 2.598 7.435 1.00 0.00 H new ATOM 1123 N GLY A 76 -7.971 0.229 5.889 1.00 0.00 N ATOM 1124 CA GLY A 76 -8.919 -0.868 5.916 1.00 0.00 C ATOM 1125 C GLY A 76 -8.529 -1.987 4.972 1.00 0.00 C ATOM 1126 O GLY A 76 -8.687 -3.162 5.302 1.00 0.00 O ATOM 0 H GLY A 76 -8.330 1.093 5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.990 -1.260 6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.908 -0.497 5.648 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.008 -1.628 3.801 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.561 -2.623 2.831 1.00 0.00 C ATOM 1132 C TRP A 77 -6.350 -3.359 3.387 1.00 0.00 C ATOM 1133 O TRP A 77 -6.197 -4.567 3.196 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.205 -1.973 1.484 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.219 -0.969 1.009 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -9.561 -0.963 1.265 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -7.966 0.173 0.182 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.146 0.130 0.679 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.192 0.837 0.002 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -6.820 0.703 -0.417 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -9.306 2.006 -0.745 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -6.934 1.860 -1.163 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -8.168 2.504 -1.320 1.00 0.00 C ATOM 0 H TRP A 77 -7.886 -0.660 3.502 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.376 -3.325 2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.236 -1.483 1.573 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.100 -2.754 0.731 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.084 -1.710 1.844 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.134 0.376 0.739 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.863 0.217 -0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -10.258 2.502 -0.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.055 2.276 -1.634 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.223 3.410 -1.905 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.500 -2.618 4.093 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.344 -3.201 4.760 1.00 0.00 C ATOM 1156 C ALA A 78 -4.793 -4.158 5.855 1.00 0.00 C ATOM 1157 O ALA A 78 -4.265 -5.260 5.983 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.457 -2.110 5.341 1.00 0.00 C ATOM 0 H ALA A 78 -5.592 -1.610 4.217 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.766 -3.760 4.024 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.598 -2.564 5.836 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.111 -1.457 4.540 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.025 -1.526 6.065 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.776 -3.720 6.636 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.364 -4.542 7.687 1.00 0.00 C ATOM 1166 C GLU A 79 -6.932 -5.835 7.107 1.00 0.00 C ATOM 1167 O GLU A 79 -6.683 -6.918 7.637 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.447 -3.739 8.421 1.00 0.00 C ATOM 1169 CG GLU A 79 -8.252 -4.536 9.437 1.00 0.00 C ATOM 1170 CD GLU A 79 -9.565 -5.041 8.875 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -10.466 -4.209 8.637 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -9.707 -6.261 8.659 1.00 0.00 O ATOM 0 H GLU A 79 -6.186 -2.789 6.558 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.589 -4.818 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.974 -2.899 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.132 -3.320 7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.659 -5.383 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.450 -3.911 10.308 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.675 -5.708 6.010 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.256 -6.862 5.329 1.00 0.00 C ATOM 1181 C LYS A 80 -7.195 -7.912 5.022 1.00 0.00 C ATOM 1182 O LYS A 80 -7.283 -9.050 5.482 1.00 0.00 O ATOM 1183 CB LYS A 80 -8.927 -6.430 4.023 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.230 -5.661 4.194 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.396 -6.584 4.523 1.00 0.00 C ATOM 1186 CE LYS A 80 -11.535 -6.824 6.014 1.00 0.00 C ATOM 1187 NZ LYS A 80 -11.903 -5.581 6.739 1.00 0.00 N ATOM 0 H LYS A 80 -7.890 -4.812 5.572 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.000 -7.297 5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.228 -5.811 3.460 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.122 -7.318 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.115 -4.924 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.450 -5.111 3.279 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.319 -6.151 4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.256 -7.538 4.015 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.294 -7.586 6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -10.596 -7.211 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.267 -5.824 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.064 -4.975 6.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.637 -5.072 6.206 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.182 -7.514 4.261 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.151 -8.441 3.810 1.00 0.00 C ATOM 1203 C VAL A 81 -4.300 -8.940 4.978 1.00 0.00 C ATOM 1204 O VAL A 81 -3.869 -10.092 4.993 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.237 -7.794 2.745 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.265 -8.816 2.173 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.068 -7.168 1.632 1.00 0.00 C ATOM 0 H VAL A 81 -6.053 -6.554 3.943 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.666 -9.291 3.362 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.659 -7.006 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.632 -8.338 1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.643 -9.214 2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.823 -9.629 1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.406 -6.718 0.893 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.675 -7.937 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.718 -6.400 2.051 1.00 0.00 H new ATOM 1217 N ALA A 82 -4.075 -8.076 5.966 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.281 -8.443 7.136 1.00 0.00 C ATOM 1219 C ALA A 82 -4.032 -9.441 8.014 1.00 0.00 C ATOM 1220 O ALA A 82 -3.423 -10.293 8.660 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.904 -7.205 7.937 1.00 0.00 C ATOM 0 H ALA A 82 -4.430 -7.120 5.980 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.366 -8.921 6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.313 -7.499 8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.319 -6.531 7.311 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.809 -6.697 8.270 1.00 0.00 H new ATOM 1227 N SER A 83 -5.353 -9.327 8.031 1.00 0.00 N ATOM 1228 CA SER A 83 -6.191 -10.259 8.768 1.00 0.00 C ATOM 1229 C SER A 83 -6.418 -11.529 7.946 1.00 0.00 C ATOM 1230 O SER A 83 -6.873 -12.549 8.463 1.00 0.00 O ATOM 1231 CB SER A 83 -7.531 -9.596 9.120 1.00 0.00 C ATOM 1232 OG SER A 83 -8.346 -10.446 9.910 1.00 0.00 O ATOM 0 H SER A 83 -5.867 -8.595 7.541 1.00 0.00 H new ATOM 0 HA SER A 83 -5.686 -10.534 9.694 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.347 -8.666 9.658 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.059 -9.335 8.203 1.00 0.00 H new ATOM 0 HG SER A 83 -9.189 -9.991 10.116 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.097 -11.456 6.662 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.214 -12.615 5.801 1.00 0.00 C ATOM 1240 C GLY A 84 -7.565 -12.694 5.123 1.00 0.00 C ATOM 1241 O GLY A 84 -8.101 -13.784 4.921 1.00 0.00 O ATOM 0 H GLY A 84 -5.757 -10.612 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.431 -12.582 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.051 -13.519 6.388 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.127 -11.542 4.790 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.407 -11.487 4.095 1.00 0.00 C ATOM 1247 C ASN A 85 -9.201 -11.065 2.655 1.00 0.00 C ATOM 1248 O ASN A 85 -8.115 -10.624 2.279 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.367 -10.511 4.782 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.743 -10.947 6.181 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -9.994 -10.482 7.169 1.00 0.00 O flip ATOM 1252 ND2 ASN A 85 -11.707 -11.683 6.377 1.00 0.00 N flip ATOM 0 H ASN A 85 -7.717 -10.630 4.990 1.00 0.00 H new ATOM 0 HA ASN A 85 -9.847 -12.484 4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.906 -9.524 4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.271 -10.414 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -12.260 -12.020 5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.955 -11.957 7.328 1.00 0.00 H new ATOM 1259 N ARG A 86 -10.247 -11.183 1.857 1.00 0.00 N ATOM 1260 CA ARG A 86 -10.170 -10.847 0.445 1.00 0.00 C ATOM 1261 C ARG A 86 -10.836 -9.504 0.172 1.00 0.00 C ATOM 1262 O ARG A 86 -11.810 -9.136 0.831 1.00 0.00 O ATOM 1263 CB ARG A 86 -10.825 -11.943 -0.393 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.262 -12.229 0.005 1.00 0.00 C ATOM 1265 CD ARG A 86 -12.838 -13.391 -0.781 1.00 0.00 C ATOM 1266 NE ARG A 86 -14.199 -13.721 -0.360 1.00 0.00 N ATOM 1267 CZ ARG A 86 -14.953 -14.642 -0.958 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -14.497 -15.281 -2.027 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -16.167 -14.914 -0.503 1.00 0.00 N ATOM 0 H ARG A 86 -11.163 -11.510 2.163 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.119 -10.770 0.166 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -10.798 -11.652 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.241 -12.859 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.307 -12.452 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.870 -11.340 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.837 -13.145 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.199 -14.265 -0.656 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.593 -13.218 0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.569 -15.067 -2.391 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.075 -15.986 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.530 -14.417 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.739 -15.621 -0.966 1.00 0.00 H new ATOM 1283 N ILE A 87 -10.294 -8.775 -0.792 1.00 0.00 N ATOM 1284 CA ILE A 87 -10.867 -7.505 -1.218 1.00 0.00 C ATOM 1285 C ILE A 87 -11.037 -7.492 -2.728 1.00 0.00 C ATOM 1286 O ILE A 87 -10.383 -8.255 -3.440 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.001 -6.296 -0.796 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -8.539 -6.503 -1.208 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -10.115 -6.060 0.700 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -7.638 -5.333 -0.872 1.00 0.00 C ATOM 0 H ILE A 87 -9.450 -9.044 -1.299 1.00 0.00 H new ATOM 0 HA ILE A 87 -11.835 -7.412 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.371 -5.410 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.156 -7.397 -0.717 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -8.496 -6.686 -2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.500 -5.206 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.155 -5.859 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.773 -6.946 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.620 -5.554 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.995 -4.440 -1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.649 -5.162 0.205 1.00 0.00 H new ATOM 1302 N LEU A 88 -11.910 -6.627 -3.217 1.00 0.00 N ATOM 1303 CA LEU A 88 -12.178 -6.556 -4.639 1.00 0.00 C ATOM 1304 C LEU A 88 -11.356 -5.447 -5.277 1.00 0.00 C ATOM 1305 O LEU A 88 -11.521 -4.266 -4.956 1.00 0.00 O ATOM 1306 CB LEU A 88 -13.673 -6.336 -4.918 1.00 0.00 C ATOM 1307 CG LEU A 88 -14.590 -7.543 -4.669 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -14.754 -7.818 -3.178 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -15.945 -7.323 -5.326 1.00 0.00 C ATOM 0 H LEU A 88 -12.443 -5.967 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.891 -7.511 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.020 -5.508 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.787 -6.027 -5.957 1.00 0.00 H new ATOM 0 HG LEU A 88 -14.122 -8.419 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.409 -8.678 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -13.779 -8.027 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.192 -6.945 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.584 -8.187 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -16.411 -6.431 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -15.812 -7.194 -6.400 1.00 0.00 H new ATOM 1321 N ILE A 89 -10.457 -5.837 -6.164 1.00 0.00 N ATOM 1322 CA ILE A 89 -9.661 -4.889 -6.922 1.00 0.00 C ATOM 1323 C ILE A 89 -10.474 -4.406 -8.122 1.00 0.00 C ATOM 1324 O ILE A 89 -10.110 -3.436 -8.795 1.00 0.00 O ATOM 1325 CB ILE A 89 -8.320 -5.519 -7.383 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -7.404 -4.461 -8.008 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -8.569 -6.659 -8.364 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -6.043 -4.991 -8.420 1.00 0.00 C ATOM 0 H ILE A 89 -10.259 -6.815 -6.378 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.414 -4.041 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.819 -5.925 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.898 -4.038 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.266 -3.648 -7.295 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.616 -7.087 -8.675 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.172 -7.429 -7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.098 -6.278 -9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.454 -4.183 -8.853 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.527 -5.388 -7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.169 -5.784 -9.157 1.00 0.00 H new ATOM 1340 N LYS A 90 -11.579 -5.117 -8.374 1.00 0.00 N ATOM 1341 CA LYS A 90 -12.571 -4.754 -9.393 1.00 0.00 C ATOM 1342 C LYS A 90 -12.070 -5.066 -10.800 1.00 0.00 C ATOM 1343 O LYS A 90 -12.782 -5.681 -11.597 1.00 0.00 O ATOM 1344 CB LYS A 90 -12.990 -3.282 -9.248 1.00 0.00 C ATOM 1345 CG LYS A 90 -13.709 -3.007 -7.935 1.00 0.00 C ATOM 1346 CD LYS A 90 -13.985 -1.527 -7.723 1.00 0.00 C ATOM 1347 CE LYS A 90 -14.704 -1.296 -6.401 1.00 0.00 C ATOM 1348 NZ LYS A 90 -14.864 0.149 -6.085 1.00 0.00 N ATOM 0 H LYS A 90 -11.813 -5.972 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.458 -5.367 -9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.106 -2.648 -9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.641 -3.009 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.651 -3.555 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.106 -3.383 -7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.047 -0.972 -7.734 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.591 -1.144 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.686 -1.768 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.148 -1.781 -5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -15.104 0.260 -5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.974 0.649 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.626 0.550 -6.669 1.00 0.00 H new ATOM 1362 N ASN A 91 -10.852 -4.659 -11.106 1.00 0.00 N ATOM 1363 CA ASN A 91 -10.242 -4.978 -12.385 1.00 0.00 C ATOM 1364 C ASN A 91 -8.742 -5.222 -12.228 1.00 0.00 C ATOM 1365 O ASN A 91 -7.932 -4.296 -12.272 1.00 0.00 O ATOM 1366 CB ASN A 91 -10.537 -3.891 -13.439 1.00 0.00 C ATOM 1367 CG ASN A 91 -10.463 -2.453 -12.921 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -11.244 -1.601 -13.343 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -9.519 -2.161 -12.047 1.00 0.00 N ATOM 0 H ASN A 91 -10.263 -4.105 -10.484 1.00 0.00 H new ATOM 0 HA ASN A 91 -10.690 -5.903 -12.748 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -9.830 -4.002 -14.262 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.532 -4.063 -13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -9.421 -1.206 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -8.887 -2.890 -11.716 1.00 0.00 H new ATOM 1376 N PRO A 92 -8.356 -6.490 -12.019 1.00 0.00 N ATOM 1377 CA PRO A 92 -6.954 -6.876 -11.810 1.00 0.00 C ATOM 1378 C PRO A 92 -6.134 -6.812 -13.097 1.00 0.00 C ATOM 1379 O PRO A 92 -4.904 -6.895 -13.072 1.00 0.00 O ATOM 1380 CB PRO A 92 -7.057 -8.317 -11.304 1.00 0.00 C ATOM 1381 CG PRO A 92 -8.333 -8.833 -11.874 1.00 0.00 C ATOM 1382 CD PRO A 92 -9.264 -7.656 -11.957 1.00 0.00 C ATOM 0 HA PRO A 92 -6.443 -6.205 -11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.207 -8.914 -11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.068 -8.353 -10.215 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.170 -9.270 -12.859 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.752 -9.617 -11.243 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.903 -7.713 -12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.922 -7.605 -11.090 1.00 0.00 H new ATOM 1390 N GLU A 93 -6.827 -6.647 -14.215 1.00 0.00 N ATOM 1391 CA GLU A 93 -6.183 -6.581 -15.521 1.00 0.00 C ATOM 1392 C GLU A 93 -5.447 -5.254 -15.687 1.00 0.00 C ATOM 1393 O GLU A 93 -4.610 -5.101 -16.574 1.00 0.00 O ATOM 1394 CB GLU A 93 -7.228 -6.737 -16.629 1.00 0.00 C ATOM 1395 CG GLU A 93 -8.213 -7.873 -16.394 1.00 0.00 C ATOM 1396 CD GLU A 93 -7.540 -9.211 -16.166 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -7.026 -9.798 -17.140 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -7.545 -9.693 -15.013 1.00 0.00 O ATOM 0 H GLU A 93 -7.842 -6.556 -14.244 1.00 0.00 H new ATOM 0 HA GLU A 93 -5.460 -7.394 -15.592 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.782 -5.803 -16.726 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.716 -6.904 -17.577 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.833 -7.634 -15.530 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.879 -7.951 -17.253 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.760 -4.302 -14.816 1.00 0.00 N ATOM 1406 CA TYR A 94 -5.135 -2.987 -14.857 1.00 0.00 C ATOM 1407 C TYR A 94 -3.839 -2.975 -14.059 1.00 0.00 C ATOM 1408 O TYR A 94 -3.149 -1.956 -13.996 1.00 0.00 O ATOM 1409 CB TYR A 94 -6.085 -1.917 -14.316 1.00 0.00 C ATOM 1410 CG TYR A 94 -7.206 -1.558 -15.263 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -8.229 -2.454 -15.535 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -7.240 -0.316 -15.880 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -9.255 -2.123 -16.397 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -8.263 0.024 -16.741 1.00 0.00 C ATOM 1415 CZ TYR A 94 -9.268 -0.884 -16.996 1.00 0.00 C ATOM 1416 OH TYR A 94 -10.296 -0.549 -17.846 1.00 0.00 O ATOM 0 H TYR A 94 -6.446 -4.418 -14.070 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.907 -2.762 -15.899 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.514 -2.267 -13.377 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.512 -1.018 -14.089 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.223 -3.426 -15.065 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.453 0.397 -15.683 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -10.043 -2.833 -16.600 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.276 0.996 -17.212 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.157 0.360 -18.185 1.00 0.00 H new ATOM 1426 N PHE A 95 -3.509 -4.105 -13.443 1.00 0.00 N ATOM 1427 CA PHE A 95 -2.269 -4.221 -12.698 1.00 0.00 C ATOM 1428 C PHE A 95 -1.133 -4.525 -13.668 1.00 0.00 C ATOM 1429 O PHE A 95 -0.783 -5.682 -13.905 1.00 0.00 O ATOM 1430 CB PHE A 95 -2.379 -5.304 -11.618 1.00 0.00 C ATOM 1431 CG PHE A 95 -1.304 -5.229 -10.573 1.00 0.00 C ATOM 1432 CD1 PHE A 95 -1.159 -4.092 -9.794 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.439 -6.291 -10.369 1.00 0.00 C ATOM 1434 CE1 PHE A 95 -0.172 -4.016 -8.832 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.551 -6.220 -9.408 1.00 0.00 C ATOM 1436 CZ PHE A 95 0.685 -5.082 -8.639 1.00 0.00 C ATOM 0 H PHE A 95 -4.083 -4.948 -13.447 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.063 -3.279 -12.190 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.351 -5.222 -11.132 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.342 -6.284 -12.094 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.826 -3.256 -9.941 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.539 -7.184 -10.968 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.070 -3.124 -8.231 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.220 -7.055 -9.259 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.459 -5.025 -7.888 1.00 0.00 H new ATOM 1446 N SER A 96 -0.603 -3.468 -14.259 1.00 0.00 N ATOM 1447 CA SER A 96 0.401 -3.575 -15.303 1.00 0.00 C ATOM 1448 C SER A 96 1.734 -4.024 -14.770 1.00 0.00 C ATOM 1449 O SER A 96 2.125 -3.729 -13.635 1.00 0.00 O ATOM 1450 CB SER A 96 0.540 -2.235 -16.025 1.00 0.00 C ATOM 1451 OG SER A 96 0.761 -1.183 -15.098 1.00 0.00 O ATOM 0 H SER A 96 -0.858 -2.508 -14.027 1.00 0.00 H new ATOM 0 HA SER A 96 0.066 -4.338 -16.006 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.368 -2.282 -16.732 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.362 -2.033 -16.603 1.00 0.00 H new ATOM 0 HG SER A 96 0.849 -0.335 -15.581 1.00 0.00 H new ATOM 1457 N THR A 97 2.407 -4.754 -15.631 1.00 0.00 N ATOM 1458 CA THR A 97 3.720 -5.268 -15.378 1.00 0.00 C ATOM 1459 C THR A 97 4.662 -4.182 -14.878 1.00 0.00 C ATOM 1460 O THR A 97 5.421 -4.400 -13.940 1.00 0.00 O ATOM 1461 CB THR A 97 4.281 -5.863 -16.669 1.00 0.00 C ATOM 1462 OG1 THR A 97 3.357 -6.816 -17.211 1.00 0.00 O ATOM 1463 CG2 THR A 97 5.596 -6.528 -16.399 1.00 0.00 C ATOM 0 H THR A 97 2.040 -5.009 -16.548 1.00 0.00 H new ATOM 0 HA THR A 97 3.642 -6.031 -14.604 1.00 0.00 H new ATOM 0 HB THR A 97 4.430 -5.060 -17.391 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.723 -7.192 -18.039 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.988 -6.949 -17.325 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.301 -5.795 -16.007 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.458 -7.325 -15.668 1.00 0.00 H new ATOM 1471 N TYR A 98 4.593 -3.012 -15.493 1.00 0.00 N ATOM 1472 CA TYR A 98 5.491 -1.920 -15.158 1.00 0.00 C ATOM 1473 C TYR A 98 5.401 -1.550 -13.680 1.00 0.00 C ATOM 1474 O TYR A 98 6.418 -1.313 -13.034 1.00 0.00 O ATOM 1475 CB TYR A 98 5.197 -0.693 -16.020 1.00 0.00 C ATOM 1476 CG TYR A 98 6.080 0.482 -15.683 1.00 0.00 C ATOM 1477 CD1 TYR A 98 7.449 0.420 -15.890 1.00 0.00 C ATOM 1478 CD2 TYR A 98 5.550 1.639 -15.131 1.00 0.00 C ATOM 1479 CE1 TYR A 98 8.269 1.483 -15.562 1.00 0.00 C ATOM 1480 CE2 TYR A 98 6.361 2.704 -14.796 1.00 0.00 C ATOM 1481 CZ TYR A 98 7.717 2.622 -15.012 1.00 0.00 C ATOM 1482 OH TYR A 98 8.528 3.679 -14.671 1.00 0.00 O ATOM 0 H TYR A 98 3.922 -2.795 -16.229 1.00 0.00 H new ATOM 0 HA TYR A 98 6.506 -2.263 -15.361 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.330 -0.952 -17.070 1.00 0.00 H new ATOM 0 HB3 TYR A 98 4.153 -0.406 -15.892 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.882 -0.474 -16.315 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.486 1.707 -14.961 1.00 0.00 H new ATOM 0 HE1 TYR A 98 9.333 1.423 -15.735 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.933 3.598 -14.366 1.00 0.00 H new ATOM 0 HH TYR A 98 7.983 4.403 -14.298 1.00 0.00 H new ATOM 1492 N MET A 99 4.185 -1.503 -13.145 1.00 0.00 N ATOM 1493 CA MET A 99 3.996 -1.156 -11.742 1.00 0.00 C ATOM 1494 C MET A 99 4.433 -2.308 -10.851 1.00 0.00 C ATOM 1495 O MET A 99 5.165 -2.113 -9.882 1.00 0.00 O ATOM 1496 CB MET A 99 2.535 -0.813 -11.448 1.00 0.00 C ATOM 1497 CG MET A 99 1.995 0.350 -12.265 1.00 0.00 C ATOM 1498 SD MET A 99 0.346 0.862 -11.744 1.00 0.00 S ATOM 1499 CE MET A 99 -0.549 -0.684 -11.862 1.00 0.00 C ATOM 0 H MET A 99 3.324 -1.699 -13.656 1.00 0.00 H new ATOM 0 HA MET A 99 4.608 -0.279 -11.532 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.921 -1.693 -11.638 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.434 -0.577 -10.389 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.677 1.196 -12.180 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.967 0.067 -13.317 1.00 0.00 H new ATOM 0 HE1 MET A 99 -1.566 -0.491 -12.204 1.00 0.00 H new ATOM 0 HE2 MET A 99 -0.047 -1.342 -12.571 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.580 -1.162 -10.883 1.00 0.00 H new ATOM 1509 N GLN A 100 3.980 -3.505 -11.203 1.00 0.00 N ATOM 1510 CA GLN A 100 4.303 -4.716 -10.459 1.00 0.00 C ATOM 1511 C GLN A 100 5.816 -4.904 -10.385 1.00 0.00 C ATOM 1512 O GLN A 100 6.394 -4.943 -9.296 1.00 0.00 O ATOM 1513 CB GLN A 100 3.624 -5.913 -11.146 1.00 0.00 C ATOM 1514 CG GLN A 100 3.760 -7.263 -10.439 1.00 0.00 C ATOM 1515 CD GLN A 100 5.140 -7.874 -10.573 1.00 0.00 C ATOM 1516 OE1 GLN A 100 5.986 -7.728 -9.697 1.00 0.00 O ATOM 1517 NE2 GLN A 100 5.383 -8.540 -11.686 1.00 0.00 N ATOM 0 H GLN A 100 3.379 -3.663 -12.012 1.00 0.00 H new ATOM 0 HA GLN A 100 3.934 -4.637 -9.437 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.563 -5.689 -11.255 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.035 -6.010 -12.151 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.528 -7.136 -9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.023 -7.955 -10.847 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.652 -8.639 -12.391 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.301 -8.956 -11.841 1.00 0.00 H new ATOM 1526 N GLU A 101 6.447 -4.981 -11.551 1.00 0.00 N ATOM 1527 CA GLU A 101 7.871 -5.260 -11.648 1.00 0.00 C ATOM 1528 C GLU A 101 8.688 -4.159 -10.982 1.00 0.00 C ATOM 1529 O GLU A 101 9.755 -4.415 -10.427 1.00 0.00 O ATOM 1530 CB GLU A 101 8.282 -5.394 -13.114 1.00 0.00 C ATOM 1531 CG GLU A 101 9.175 -6.590 -13.387 1.00 0.00 C ATOM 1532 CD GLU A 101 8.433 -7.913 -13.301 1.00 0.00 C ATOM 1533 OE1 GLU A 101 8.146 -8.376 -12.178 1.00 0.00 O ATOM 1534 OE2 GLU A 101 8.134 -8.496 -14.366 1.00 0.00 O ATOM 0 H GLU A 101 5.986 -4.852 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 101 8.069 -6.199 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.385 -5.473 -13.728 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.801 -4.486 -13.422 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.615 -6.490 -14.379 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.998 -6.593 -12.672 1.00 0.00 H new ATOM 1541 N GLN A 102 8.180 -2.933 -11.037 1.00 0.00 N ATOM 1542 CA GLN A 102 8.847 -1.800 -10.405 1.00 0.00 C ATOM 1543 C GLN A 102 8.919 -2.017 -8.905 1.00 0.00 C ATOM 1544 O GLN A 102 9.985 -1.909 -8.297 1.00 0.00 O ATOM 1545 CB GLN A 102 8.090 -0.509 -10.696 1.00 0.00 C ATOM 1546 CG GLN A 102 8.862 0.748 -10.331 1.00 0.00 C ATOM 1547 CD GLN A 102 8.096 2.015 -10.656 1.00 0.00 C ATOM 1548 OE1 GLN A 102 7.259 1.957 -11.681 1.00 0.00 O flip ATOM 1549 NE2 GLN A 102 8.256 3.038 -9.995 1.00 0.00 N flip ATOM 0 H GLN A 102 7.309 -2.698 -11.512 1.00 0.00 H new ATOM 0 HA GLN A 102 9.855 -1.719 -10.811 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.840 -0.476 -11.756 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.149 -0.519 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.095 0.731 -9.266 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.812 0.755 -10.865 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.910 3.042 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.735 3.883 -10.229 1.00 0.00 H new ATOM 1558 N LEU A 103 7.768 -2.329 -8.324 1.00 0.00 N ATOM 1559 CA LEU A 103 7.677 -2.643 -6.904 1.00 0.00 C ATOM 1560 C LEU A 103 8.587 -3.813 -6.569 1.00 0.00 C ATOM 1561 O LEU A 103 9.317 -3.781 -5.580 1.00 0.00 O ATOM 1562 CB LEU A 103 6.233 -2.982 -6.528 1.00 0.00 C ATOM 1563 CG LEU A 103 5.210 -1.880 -6.807 1.00 0.00 C ATOM 1564 CD1 LEU A 103 3.802 -2.391 -6.562 1.00 0.00 C ATOM 1565 CD2 LEU A 103 5.491 -0.658 -5.945 1.00 0.00 C ATOM 0 H LEU A 103 6.877 -2.371 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 103 7.994 -1.771 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.934 -3.879 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.199 -3.226 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 103 5.295 -1.588 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.086 -1.595 -6.765 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.602 -3.236 -7.221 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.706 -2.710 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.753 0.115 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.434 -0.934 -4.892 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.488 -0.278 -6.167 1.00 0.00 H new ATOM 1577 N LYS A 104 8.549 -4.833 -7.420 1.00 0.00 N ATOM 1578 CA LYS A 104 9.388 -6.013 -7.261 1.00 0.00 C ATOM 1579 C LYS A 104 10.854 -5.624 -7.143 1.00 0.00 C ATOM 1580 O LYS A 104 11.478 -5.867 -6.118 1.00 0.00 O ATOM 1581 CB LYS A 104 9.195 -6.966 -8.442 1.00 0.00 C ATOM 1582 CG LYS A 104 10.149 -8.154 -8.438 1.00 0.00 C ATOM 1583 CD LYS A 104 9.911 -9.071 -9.630 1.00 0.00 C ATOM 1584 CE LYS A 104 8.940 -10.198 -9.311 1.00 0.00 C ATOM 1585 NZ LYS A 104 7.588 -9.699 -8.961 1.00 0.00 N ATOM 0 H LYS A 104 7.938 -4.864 -8.236 1.00 0.00 H new ATOM 0 HA LYS A 104 9.089 -6.519 -6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.170 -7.336 -8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.326 -6.410 -9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.178 -7.795 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.024 -8.718 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.522 -8.486 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.861 -9.495 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.867 -10.865 -10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.332 -10.788 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.899 -10.473 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 7.590 -9.348 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.326 -8.926 -9.605 1.00 0.00 H new ATOM 1599 N GLU A 105 11.383 -4.999 -8.187 1.00 0.00 N ATOM 1600 CA GLU A 105 12.794 -4.625 -8.236 1.00 0.00 C ATOM 1601 C GLU A 105 13.179 -3.730 -7.063 1.00 0.00 C ATOM 1602 O GLU A 105 14.209 -3.934 -6.427 1.00 0.00 O ATOM 1603 CB GLU A 105 13.102 -3.903 -9.549 1.00 0.00 C ATOM 1604 CG GLU A 105 12.889 -4.759 -10.786 1.00 0.00 C ATOM 1605 CD GLU A 105 13.887 -5.890 -10.894 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.007 -5.649 -11.391 1.00 0.00 O ATOM 1607 OE2 GLU A 105 13.560 -7.030 -10.495 1.00 0.00 O ATOM 0 H GLU A 105 10.853 -4.738 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 105 13.379 -5.542 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.473 -3.015 -9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 105 14.137 -3.560 -9.530 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.880 -5.171 -10.768 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.961 -4.131 -11.674 1.00 0.00 H new ATOM 1614 N LEU A 106 12.332 -2.750 -6.778 1.00 0.00 N ATOM 1615 CA LEU A 106 12.614 -1.755 -5.753 1.00 0.00 C ATOM 1616 C LEU A 106 12.658 -2.379 -4.355 1.00 0.00 C ATOM 1617 O LEU A 106 13.549 -2.082 -3.556 1.00 0.00 O ATOM 1618 CB LEU A 106 11.555 -0.653 -5.810 1.00 0.00 C ATOM 1619 CG LEU A 106 11.831 0.571 -4.940 1.00 0.00 C ATOM 1620 CD1 LEU A 106 13.118 1.259 -5.373 1.00 0.00 C ATOM 1621 CD2 LEU A 106 10.658 1.537 -5.007 1.00 0.00 C ATOM 0 H LEU A 106 11.436 -2.623 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 106 13.598 -1.330 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.452 -0.326 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.596 -1.079 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 106 11.953 0.243 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.296 2.129 -4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.952 0.564 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.028 1.578 -6.411 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.866 2.406 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.510 1.858 -6.038 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.757 1.040 -4.648 1.00 0.00 H new ATOM 1633 N VAL A 107 11.697 -3.244 -4.066 1.00 0.00 N ATOM 1634 CA VAL A 107 11.621 -3.886 -2.760 1.00 0.00 C ATOM 1635 C VAL A 107 12.625 -5.031 -2.657 1.00 0.00 C ATOM 1636 O VAL A 107 13.184 -5.285 -1.586 1.00 0.00 O ATOM 1637 CB VAL A 107 10.195 -4.412 -2.469 1.00 0.00 C ATOM 1638 CG1 VAL A 107 10.138 -5.134 -1.130 1.00 0.00 C ATOM 1639 CG2 VAL A 107 9.192 -3.268 -2.493 1.00 0.00 C ATOM 0 H VAL A 107 10.960 -3.518 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 107 11.867 -3.130 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 107 9.935 -5.126 -3.250 1.00 0.00 H new ATOM 0 HG11 VAL A 107 9.124 -5.492 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 107 10.825 -5.980 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.424 -4.447 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.194 -3.655 -2.287 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.460 -2.533 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.202 -2.796 -3.475 1.00 0.00 H new ATOM 1649 N LEU A 108 12.877 -5.691 -3.783 1.00 0.00 N ATOM 1650 CA LEU A 108 13.766 -6.850 -3.823 1.00 0.00 C ATOM 1651 C LEU A 108 15.179 -6.473 -3.383 1.00 0.00 C ATOM 1652 O LEU A 108 15.906 -7.294 -2.821 1.00 0.00 O ATOM 1653 CB LEU A 108 13.806 -7.433 -5.238 1.00 0.00 C ATOM 1654 CG LEU A 108 14.158 -8.917 -5.325 1.00 0.00 C ATOM 1655 CD1 LEU A 108 13.068 -9.753 -4.676 1.00 0.00 C ATOM 1656 CD2 LEU A 108 14.356 -9.333 -6.774 1.00 0.00 C ATOM 0 H LEU A 108 12.475 -5.442 -4.687 1.00 0.00 H new ATOM 0 HA LEU A 108 13.377 -7.598 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 108 12.832 -7.280 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.532 -6.870 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 108 15.092 -9.086 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.330 -10.809 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.968 -9.471 -3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.122 -9.580 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 108 14.606 -10.393 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 108 13.437 -9.154 -7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.167 -8.751 -7.212 1.00 0.00 H new ATOM 1668 N GLU A 109 15.556 -5.221 -3.636 1.00 0.00 N ATOM 1669 CA GLU A 109 16.859 -4.709 -3.224 1.00 0.00 C ATOM 1670 C GLU A 109 17.010 -4.770 -1.709 1.00 0.00 C ATOM 1671 O GLU A 109 18.111 -4.937 -1.192 1.00 0.00 O ATOM 1672 CB GLU A 109 17.044 -3.263 -3.684 1.00 0.00 C ATOM 1673 CG GLU A 109 16.893 -3.068 -5.180 1.00 0.00 C ATOM 1674 CD GLU A 109 17.236 -1.660 -5.615 1.00 0.00 C ATOM 1675 OE1 GLU A 109 16.408 -0.746 -5.428 1.00 0.00 O ATOM 1676 OE2 GLU A 109 18.351 -1.460 -6.146 1.00 0.00 O ATOM 0 H GLU A 109 14.974 -4.541 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 109 17.620 -5.337 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.317 -2.633 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.033 -2.920 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.538 -3.774 -5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.868 -3.296 -5.472 1.00 0.00 H new ATOM 1683 N HIS A 110 15.894 -4.646 -1.005 1.00 0.00 N ATOM 1684 CA HIS A 110 15.915 -4.604 0.451 1.00 0.00 C ATOM 1685 C HIS A 110 15.566 -5.962 1.038 1.00 0.00 C ATOM 1686 O HIS A 110 16.206 -6.425 1.982 1.00 0.00 O ATOM 1687 CB HIS A 110 14.941 -3.543 0.975 1.00 0.00 C ATOM 1688 CG HIS A 110 15.296 -2.146 0.566 1.00 0.00 C ATOM 1689 ND1 HIS A 110 16.124 -1.334 1.306 1.00 0.00 N ATOM 1690 CD2 HIS A 110 14.928 -1.422 -0.515 1.00 0.00 C ATOM 1691 CE1 HIS A 110 16.252 -0.171 0.699 1.00 0.00 C ATOM 1692 NE2 HIS A 110 15.536 -0.196 -0.413 1.00 0.00 N ATOM 0 H HIS A 110 14.964 -4.573 -1.417 1.00 0.00 H new ATOM 0 HA HIS A 110 16.925 -4.340 0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 110 13.938 -3.774 0.616 1.00 0.00 H new ATOM 0 HB3 HIS A 110 14.910 -3.597 2.063 1.00 0.00 H new ATOM 0 HD1 HIS A 110 16.569 -1.592 2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 110 14.276 -1.748 -1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.842 0.662 1.050 1.00 0.00 H new TER 1701 HIS A 110