USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 768 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 40 GLN : amide:sc= -0.139 K(o=-9.5,f=-16) USER MOD Set 1.2: A 44 SER OG : rot 119:sc= 0.404 USER MOD Set 1.3: A 48 HIS : no HE2:sc= -3.22 K(o=-9.5,f=-15!) USER MOD Set 1.4: A 50 HIS : no HE2:sc= -6.58! C(o=-9.5!,f=-15!) USER MOD Set 2.1: A 31 SER OG : rot -41:sc= 1.83 USER MOD Set 2.2: A 65 ASN :FLIP amide:sc= -0.129 F(o=-3.1,f=1.7) USER MOD Set 3.1: A 5 HIS : no HD1:sc= -0.183 X(o=-0.33,f=-0.15) USER MOD Set 3.2: A 6 MET CE :methyl -155:sc= -0.148 (180deg=-0.603) USER MOD Single : A 1 ILE N :NH3+ 176:sc= -0.722 (180deg=-0.812) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.636 USER MOD Single : A 11 ASN : amide:sc= -2.08 X(o=-2.1,f=-2.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -19:sc= 0.242 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 19 TYR OH : rot 150:sc= -1.04 USER MOD Single : A 24 GLN : amide:sc= -9.98! C(o=-10!,f=-10!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 26 TYR OH : rot 141:sc= 0.0168 USER MOD Single : A 29 THR OG1 : rot 49:sc= 0.159 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 160:sc= -0.514 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.467 USER MOD Single : A 38 THR OG1 : rot 160:sc= -0.839 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -175:sc= -4.87! (180deg=-5.12!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0359 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 150:sc= -2.18 USER MOD Single : A 59 ASN : amide:sc= -0.443 X(o=-0.44,f=-0.19) USER MOD Single : A 63 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc= -2.41! F(o=-3.3,f=-2.4!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -31:sc= -1.26 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -56:sc= 0.0592 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.161 USER MOD Single : A 91 ASN : amide:sc= -6.02! C(o=-6!,f=-16!) USER MOD Single : A 93 THR OG1 : rot -105:sc= -2.84! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 177:sc= -1.74 USER MOD Single : A 101 SER OG : rot 44:sc= 0.345 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.407 -15.552 8.492 1.00 0.00 N ATOM 2 CA ILE A 1 -6.392 -15.125 9.519 1.00 0.00 C ATOM 3 C ILE A 1 -5.693 -14.539 10.740 1.00 0.00 C ATOM 4 O ILE A 1 -6.180 -14.661 11.865 1.00 0.00 O ATOM 5 CB ILE A 1 -7.275 -16.305 9.968 1.00 0.00 C ATOM 6 CG1 ILE A 1 -6.408 -17.454 10.485 1.00 0.00 C ATOM 7 CG2 ILE A 1 -8.157 -16.773 8.819 1.00 0.00 C ATOM 8 CD1 ILE A 1 -7.138 -18.384 11.429 1.00 0.00 C ATOM 0 H1 ILE A 1 -5.905 -16.008 7.702 1.00 0.00 H new ATOM 0 H2 ILE A 1 -4.889 -14.721 8.141 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.736 -16.226 8.913 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.019 -14.360 9.060 1.00 0.00 H new ATOM 0 HB ILE A 1 -7.919 -15.969 10.781 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -6.037 -18.029 9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.538 -17.041 10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.775 -17.607 9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -8.798 -15.953 8.495 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -7.530 -17.095 7.987 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -6.462 -19.175 11.756 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -7.486 -17.823 12.296 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -7.992 -18.826 10.916 1.00 0.00 H new ATOM 22 N GLU A 2 -4.550 -13.901 10.513 1.00 0.00 N ATOM 23 CA GLU A 2 -3.784 -13.295 11.596 1.00 0.00 C ATOM 24 C GLU A 2 -4.526 -12.101 12.185 1.00 0.00 C ATOM 25 O GLU A 2 -4.401 -10.977 11.699 1.00 0.00 O ATOM 26 CB GLU A 2 -2.407 -12.857 11.093 1.00 0.00 C ATOM 27 CG GLU A 2 -1.344 -12.822 12.179 1.00 0.00 C ATOM 28 CD GLU A 2 -1.116 -14.179 12.815 1.00 0.00 C ATOM 29 OE1 GLU A 2 -0.844 -15.144 12.072 1.00 0.00 O ATOM 30 OE2 GLU A 2 -1.209 -14.276 14.057 1.00 0.00 O ATOM 0 H GLU A 2 -4.133 -13.790 9.589 1.00 0.00 H new ATOM 0 HA GLU A 2 -3.656 -14.043 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -2.085 -13.536 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.491 -11.866 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.407 -12.462 11.754 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.639 -12.109 12.949 1.00 0.00 H new ATOM 37 N GLY A 3 -5.302 -12.352 13.234 1.00 0.00 N ATOM 38 CA GLY A 3 -6.053 -11.288 13.873 1.00 0.00 C ATOM 39 C GLY A 3 -6.037 -11.390 15.386 1.00 0.00 C ATOM 40 O GLY A 3 -5.035 -11.792 15.975 1.00 0.00 O ATOM 0 H GLY A 3 -5.424 -13.274 13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -5.639 -10.325 13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -7.084 -11.315 13.522 1.00 0.00 H new ATOM 44 N ARG A 4 -7.149 -11.025 16.013 1.00 0.00 N ATOM 45 CA ARG A 4 -7.260 -11.077 17.467 1.00 0.00 C ATOM 46 C ARG A 4 -8.219 -12.180 17.901 1.00 0.00 C ATOM 47 O ARG A 4 -8.887 -12.066 18.929 1.00 0.00 O ATOM 48 CB ARG A 4 -7.734 -9.728 18.012 1.00 0.00 C ATOM 49 CG ARG A 4 -7.628 -9.612 19.524 1.00 0.00 C ATOM 50 CD ARG A 4 -8.998 -9.627 20.185 1.00 0.00 C ATOM 51 NE ARG A 4 -9.444 -8.285 20.550 1.00 0.00 N ATOM 52 CZ ARG A 4 -10.593 -8.028 21.169 1.00 0.00 C ATOM 53 NH1 ARG A 4 -11.415 -9.020 21.495 1.00 0.00 N ATOM 54 NH2 ARG A 4 -10.924 -6.779 21.465 1.00 0.00 N ATOM 0 H ARG A 4 -7.987 -10.690 15.538 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.273 -11.299 17.874 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.146 -8.933 17.553 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.771 -9.570 17.715 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -7.028 -10.435 19.911 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.109 -8.689 19.783 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.723 -10.078 19.507 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -8.963 -10.253 21.077 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.838 -7.498 20.316 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.166 -9.983 21.271 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.295 -8.818 21.970 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.297 -6.013 21.218 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -11.805 -6.584 21.940 1.00 0.00 H new ATOM 68 N HIS A 5 -8.282 -13.247 17.111 1.00 0.00 N ATOM 69 CA HIS A 5 -9.161 -14.372 17.414 1.00 0.00 C ATOM 70 C HIS A 5 -10.622 -13.936 17.420 1.00 0.00 C ATOM 71 O HIS A 5 -11.033 -13.118 18.241 1.00 0.00 O ATOM 72 CB HIS A 5 -8.795 -14.983 18.768 1.00 0.00 C ATOM 73 CG HIS A 5 -9.029 -16.460 18.841 1.00 0.00 C ATOM 74 ND1 HIS A 5 -9.550 -17.085 19.955 1.00 0.00 N ATOM 75 CD2 HIS A 5 -8.813 -17.439 17.931 1.00 0.00 C ATOM 76 CE1 HIS A 5 -9.644 -18.382 19.727 1.00 0.00 C ATOM 77 NE2 HIS A 5 -9.203 -18.623 18.505 1.00 0.00 N ATOM 0 H HIS A 5 -7.736 -13.357 16.257 1.00 0.00 H new ATOM 0 HA HIS A 5 -9.028 -15.123 16.635 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.745 -14.779 18.978 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -9.377 -14.492 19.548 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.409 -17.312 16.938 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.018 -19.120 20.421 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -9.159 -19.540 18.061 1.00 0.00 H new ATOM 86 N MET A 6 -11.402 -14.489 16.496 1.00 0.00 N ATOM 87 CA MET A 6 -12.819 -14.159 16.393 1.00 0.00 C ATOM 88 C MET A 6 -13.012 -12.677 16.083 1.00 0.00 C ATOM 89 O MET A 6 -12.665 -11.814 16.890 1.00 0.00 O ATOM 90 CB MET A 6 -13.545 -14.519 17.691 1.00 0.00 C ATOM 91 CG MET A 6 -14.061 -15.948 17.724 1.00 0.00 C ATOM 92 SD MET A 6 -12.869 -17.100 18.432 1.00 0.00 S ATOM 93 CE MET A 6 -12.130 -17.779 16.948 1.00 0.00 C ATOM 0 H MET A 6 -11.076 -15.168 15.808 1.00 0.00 H new ATOM 0 HA MET A 6 -13.243 -14.741 15.575 1.00 0.00 H new ATOM 0 HB2 MET A 6 -12.867 -14.367 18.531 1.00 0.00 H new ATOM 0 HB3 MET A 6 -14.383 -13.836 17.830 1.00 0.00 H new ATOM 0 HG2 MET A 6 -14.983 -15.984 18.303 1.00 0.00 H new ATOM 0 HG3 MET A 6 -14.309 -16.264 16.711 1.00 0.00 H new ATOM 0 HE1 MET A 6 -11.727 -18.769 17.162 1.00 0.00 H new ATOM 0 HE2 MET A 6 -12.887 -17.857 16.167 1.00 0.00 H new ATOM 0 HE3 MET A 6 -11.326 -17.125 16.610 1.00 0.00 H new ATOM 103 N ALA A 7 -13.567 -12.391 14.910 1.00 0.00 N ATOM 104 CA ALA A 7 -13.805 -11.015 14.494 1.00 0.00 C ATOM 105 C ALA A 7 -15.065 -10.910 13.638 1.00 0.00 C ATOM 106 O ALA A 7 -15.447 -11.865 12.961 1.00 0.00 O ATOM 107 CB ALA A 7 -12.602 -10.477 13.735 1.00 0.00 C ATOM 0 H ALA A 7 -13.860 -13.094 14.231 1.00 0.00 H new ATOM 0 HA ALA A 7 -13.954 -10.412 15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -12.794 -9.448 13.431 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -11.723 -10.507 14.379 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.426 -11.090 12.851 1.00 0.00 H new ATOM 113 N PRO A 8 -15.729 -9.741 13.655 1.00 0.00 N ATOM 114 CA PRO A 8 -16.951 -9.516 12.876 1.00 0.00 C ATOM 115 C PRO A 8 -16.678 -9.452 11.377 1.00 0.00 C ATOM 116 O PRO A 8 -17.384 -10.071 10.581 1.00 0.00 O ATOM 117 CB PRO A 8 -17.454 -8.164 13.385 1.00 0.00 C ATOM 118 CG PRO A 8 -16.237 -7.472 13.891 1.00 0.00 C ATOM 119 CD PRO A 8 -15.342 -8.551 14.435 1.00 0.00 C ATOM 0 HA PRO A 8 -17.669 -10.327 13.001 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.931 -7.594 12.588 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.195 -8.289 14.174 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.742 -6.920 13.092 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.493 -6.750 14.666 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.289 -8.306 14.299 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -15.498 -8.702 15.503 1.00 0.00 H new ATOM 127 N THR A 9 -15.649 -8.701 10.999 1.00 0.00 N ATOM 128 CA THR A 9 -15.283 -8.557 9.596 1.00 0.00 C ATOM 129 C THR A 9 -13.828 -8.118 9.455 1.00 0.00 C ATOM 130 O THR A 9 -13.543 -7.016 8.986 1.00 0.00 O ATOM 131 CB THR A 9 -16.204 -7.548 8.908 1.00 0.00 C ATOM 132 OG1 THR A 9 -17.515 -7.622 9.440 1.00 0.00 O ATOM 133 CG2 THR A 9 -16.304 -7.752 7.411 1.00 0.00 C ATOM 0 H THR A 9 -15.054 -8.183 11.645 1.00 0.00 H new ATOM 0 HA THR A 9 -15.397 -9.528 9.114 1.00 0.00 H new ATOM 0 HB THR A 9 -15.755 -6.573 9.096 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.089 -6.968 8.988 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.972 -7.003 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.315 -7.652 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 9 -16.696 -8.748 7.205 1.00 0.00 H new ATOM 141 N GLU A 10 -12.911 -8.988 9.867 1.00 0.00 N ATOM 142 CA GLU A 10 -11.486 -8.692 9.788 1.00 0.00 C ATOM 143 C GLU A 10 -10.655 -9.882 10.256 1.00 0.00 C ATOM 144 O GLU A 10 -10.983 -10.524 11.254 1.00 0.00 O ATOM 145 CB GLU A 10 -11.152 -7.459 10.632 1.00 0.00 C ATOM 146 CG GLU A 10 -9.891 -6.738 10.184 1.00 0.00 C ATOM 147 CD GLU A 10 -9.448 -5.675 11.168 1.00 0.00 C ATOM 148 OE1 GLU A 10 -9.362 -5.982 12.376 1.00 0.00 O ATOM 149 OE2 GLU A 10 -9.185 -4.534 10.732 1.00 0.00 O ATOM 0 H GLU A 10 -13.130 -9.904 10.259 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.241 -8.489 8.746 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.991 -6.764 10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.037 -7.762 11.673 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.089 -7.464 10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.066 -6.278 9.212 1.00 0.00 H new ATOM 156 N ASN A 11 -9.579 -10.169 9.530 1.00 0.00 N ATOM 157 CA ASN A 11 -8.696 -11.283 9.868 1.00 0.00 C ATOM 158 C ASN A 11 -9.392 -12.620 9.636 1.00 0.00 C ATOM 159 O ASN A 11 -9.012 -13.383 8.747 1.00 0.00 O ATOM 160 CB ASN A 11 -8.236 -11.181 11.324 1.00 0.00 C ATOM 161 CG ASN A 11 -7.746 -9.791 11.679 1.00 0.00 C ATOM 162 OD1 ASN A 11 -6.853 -9.249 11.027 1.00 0.00 O ATOM 163 ND2 ASN A 11 -8.330 -9.204 12.717 1.00 0.00 N ATOM 0 H ASN A 11 -9.296 -9.645 8.702 1.00 0.00 H new ATOM 0 HA ASN A 11 -7.824 -11.228 9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.061 -11.452 11.983 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -7.437 -11.901 11.501 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.042 -8.268 13.002 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.066 -9.689 13.230 1.00 0.00 H new ATOM 170 N SER A 12 -10.413 -12.899 10.438 1.00 0.00 N ATOM 171 CA SER A 12 -11.162 -14.145 10.318 1.00 0.00 C ATOM 172 C SER A 12 -12.628 -13.870 9.997 1.00 0.00 C ATOM 173 O SER A 12 -13.144 -12.791 10.286 1.00 0.00 O ATOM 174 CB SER A 12 -11.056 -14.955 11.611 1.00 0.00 C ATOM 175 OG SER A 12 -10.848 -14.109 12.730 1.00 0.00 O ATOM 0 H SER A 12 -10.741 -12.279 11.179 1.00 0.00 H new ATOM 0 HA SER A 12 -10.731 -14.721 9.499 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.967 -15.536 11.755 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.234 -15.666 11.531 1.00 0.00 H new ATOM 0 HG SER A 12 -10.786 -14.652 13.543 1.00 0.00 H new ATOM 181 N THR A 13 -13.292 -14.854 9.398 1.00 0.00 N ATOM 182 CA THR A 13 -14.700 -14.723 9.035 1.00 0.00 C ATOM 183 C THR A 13 -14.923 -13.504 8.145 1.00 0.00 C ATOM 184 O THR A 13 -15.950 -12.832 8.241 1.00 0.00 O ATOM 185 CB THR A 13 -15.567 -14.617 10.291 1.00 0.00 C ATOM 186 OG1 THR A 13 -15.500 -13.313 10.841 1.00 0.00 O ATOM 187 CG2 THR A 13 -15.170 -15.593 11.379 1.00 0.00 C ATOM 0 H THR A 13 -12.877 -15.753 9.153 1.00 0.00 H new ATOM 0 HA THR A 13 -14.988 -15.615 8.478 1.00 0.00 H new ATOM 0 HB THR A 13 -16.578 -14.856 9.961 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.701 -12.856 10.503 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.825 -15.464 12.240 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.260 -16.612 11.004 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.138 -15.406 11.677 1.00 0.00 H new ATOM 195 N GLY A 14 -13.952 -13.223 7.281 1.00 0.00 N ATOM 196 CA GLY A 14 -14.063 -12.085 6.387 1.00 0.00 C ATOM 197 C GLY A 14 -13.164 -12.211 5.174 1.00 0.00 C ATOM 198 O GLY A 14 -13.629 -12.140 4.037 1.00 0.00 O ATOM 0 H GLY A 14 -13.092 -13.762 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.098 -11.984 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.810 -11.174 6.930 1.00 0.00 H new ATOM 202 N VAL A 15 -11.870 -12.399 5.415 1.00 0.00 N ATOM 203 CA VAL A 15 -10.902 -12.538 4.335 1.00 0.00 C ATOM 204 C VAL A 15 -10.825 -13.979 3.845 1.00 0.00 C ATOM 205 O VAL A 15 -10.815 -14.915 4.645 1.00 0.00 O ATOM 206 CB VAL A 15 -9.498 -12.081 4.775 1.00 0.00 C ATOM 207 CG1 VAL A 15 -9.447 -10.567 4.916 1.00 0.00 C ATOM 208 CG2 VAL A 15 -9.101 -12.760 6.076 1.00 0.00 C ATOM 0 H VAL A 15 -11.468 -12.458 6.351 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.245 -11.899 3.521 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.783 -12.373 4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.447 -10.264 5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.685 -10.104 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.173 -10.247 5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.107 -12.426 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.818 -12.501 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.093 -13.841 5.935 1.00 0.00 H new ATOM 218 N GLN A 16 -10.771 -14.150 2.529 1.00 0.00 N ATOM 219 CA GLN A 16 -10.697 -15.480 1.933 1.00 0.00 C ATOM 220 C GLN A 16 -9.336 -15.713 1.284 1.00 0.00 C ATOM 221 O GLN A 16 -8.850 -16.842 1.226 1.00 0.00 O ATOM 222 CB GLN A 16 -11.806 -15.659 0.896 1.00 0.00 C ATOM 223 CG GLN A 16 -11.970 -14.466 -0.033 1.00 0.00 C ATOM 224 CD GLN A 16 -12.829 -14.782 -1.240 1.00 0.00 C ATOM 225 OE1 GLN A 16 -13.910 -15.360 -1.114 1.00 0.00 O ATOM 226 NE2 GLN A 16 -12.354 -14.404 -2.421 1.00 0.00 N ATOM 0 H GLN A 16 -10.777 -13.385 1.854 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.830 -16.214 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.594 -16.547 0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.749 -15.839 1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.416 -13.639 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.988 -14.133 -0.368 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.454 -13.928 -2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -12.889 -14.590 -3.269 1.00 0.00 H new ATOM 235 N ASP A 17 -8.724 -14.638 0.796 1.00 0.00 N ATOM 236 CA ASP A 17 -7.420 -14.728 0.148 1.00 0.00 C ATOM 237 C ASP A 17 -6.377 -15.301 1.098 1.00 0.00 C ATOM 238 O ASP A 17 -6.355 -14.965 2.278 1.00 0.00 O ATOM 239 CB ASP A 17 -6.974 -13.353 -0.344 1.00 0.00 C ATOM 240 CG ASP A 17 -7.639 -12.967 -1.652 1.00 0.00 C ATOM 241 OD1 ASP A 17 -8.827 -12.584 -1.624 1.00 0.00 O ATOM 242 OD2 ASP A 17 -6.969 -13.046 -2.704 1.00 0.00 O ATOM 0 H ASP A 17 -9.110 -13.695 0.837 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.515 -15.399 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.207 -12.605 0.414 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.892 -13.349 -0.474 1.00 0.00 H new ATOM 247 N CYS A 18 -5.513 -16.162 0.567 1.00 0.00 N ATOM 248 CA CYS A 18 -4.461 -16.792 1.354 1.00 0.00 C ATOM 249 C CYS A 18 -3.117 -16.111 1.089 1.00 0.00 C ATOM 250 O CYS A 18 -2.834 -15.684 -0.030 1.00 0.00 O ATOM 251 CB CYS A 18 -4.394 -18.296 1.030 1.00 0.00 C ATOM 252 SG CYS A 18 -2.792 -18.894 0.384 1.00 0.00 S ATOM 0 H CYS A 18 -5.523 -16.440 -0.414 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.690 -16.678 2.413 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.632 -18.855 1.935 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.169 -18.527 0.299 1.00 0.00 H new ATOM 257 N TYR A 19 -2.300 -16.010 2.133 1.00 0.00 N ATOM 258 CA TYR A 19 -0.994 -15.381 2.025 1.00 0.00 C ATOM 259 C TYR A 19 0.101 -16.445 2.015 1.00 0.00 C ATOM 260 O TYR A 19 -0.188 -17.638 2.096 1.00 0.00 O ATOM 261 CB TYR A 19 -0.773 -14.394 3.179 1.00 0.00 C ATOM 262 CG TYR A 19 -0.359 -15.012 4.496 1.00 0.00 C ATOM 263 CD1 TYR A 19 0.950 -15.417 4.724 1.00 0.00 C ATOM 264 CD2 TYR A 19 -1.281 -15.173 5.519 1.00 0.00 C ATOM 265 CE1 TYR A 19 1.326 -15.968 5.931 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.914 -15.724 6.731 1.00 0.00 C ATOM 267 CZ TYR A 19 0.390 -16.120 6.932 1.00 0.00 C ATOM 268 OH TYR A 19 0.761 -16.668 8.138 1.00 0.00 O ATOM 0 H TYR A 19 -2.523 -16.358 3.065 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.951 -14.825 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.009 -13.676 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.694 -13.833 3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.686 -15.298 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.304 -14.862 5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.348 -16.279 6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.645 -15.844 7.517 1.00 0.00 H new ATOM 0 HH TYR A 19 0.203 -16.295 8.852 1.00 0.00 H new ATOM 278 N ARG A 20 1.355 -16.019 1.923 1.00 0.00 N ATOM 279 CA ARG A 20 2.470 -16.959 1.914 1.00 0.00 C ATOM 280 C ARG A 20 3.652 -16.424 2.713 1.00 0.00 C ATOM 281 O ARG A 20 4.027 -15.259 2.586 1.00 0.00 O ATOM 282 CB ARG A 20 2.890 -17.262 0.477 1.00 0.00 C ATOM 283 CG ARG A 20 1.826 -18.003 -0.316 1.00 0.00 C ATOM 284 CD ARG A 20 2.146 -18.019 -1.802 1.00 0.00 C ATOM 285 NE ARG A 20 3.539 -18.381 -2.058 1.00 0.00 N ATOM 286 CZ ARG A 20 4.167 -18.143 -3.207 1.00 0.00 C ATOM 287 NH1 ARG A 20 3.532 -17.541 -4.207 1.00 0.00 N ATOM 288 NH2 ARG A 20 5.433 -18.504 -3.357 1.00 0.00 N ATOM 0 H ARG A 20 1.624 -15.038 1.854 1.00 0.00 H new ATOM 0 HA ARG A 20 2.139 -17.882 2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.126 -16.327 -0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.803 -17.857 0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.745 -19.026 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.857 -17.530 -0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.489 -18.727 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.943 -17.036 -2.227 1.00 0.00 H new ATOM 0 HE ARG A 20 4.060 -18.843 -1.313 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.558 -17.259 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.018 -17.361 -5.085 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.926 -18.964 -2.592 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.914 -18.322 -4.238 1.00 0.00 H new ATOM 302 N GLY A 21 4.232 -17.288 3.546 1.00 0.00 N ATOM 303 CA GLY A 21 5.364 -16.886 4.365 1.00 0.00 C ATOM 304 C GLY A 21 5.049 -15.662 5.201 1.00 0.00 C ATOM 305 O GLY A 21 4.520 -15.775 6.306 1.00 0.00 O ATOM 0 H GLY A 21 3.938 -18.257 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.649 -17.709 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.220 -16.677 3.724 1.00 0.00 H new ATOM 309 N ASP A 22 5.360 -14.493 4.661 1.00 0.00 N ATOM 310 CA ASP A 22 5.092 -13.237 5.348 1.00 0.00 C ATOM 311 C ASP A 22 4.449 -12.245 4.393 1.00 0.00 C ATOM 312 O ASP A 22 5.126 -11.645 3.559 1.00 0.00 O ATOM 313 CB ASP A 22 6.377 -12.640 5.925 1.00 0.00 C ATOM 314 CG ASP A 22 7.541 -12.722 4.958 1.00 0.00 C ATOM 315 OD1 ASP A 22 7.295 -12.892 3.745 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.700 -12.617 5.412 1.00 0.00 O ATOM 0 H ASP A 22 5.799 -14.387 3.747 1.00 0.00 H new ATOM 0 HA ASP A 22 4.408 -13.443 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.202 -11.597 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.636 -13.164 6.845 1.00 0.00 H new ATOM 321 N GLY A 23 3.135 -12.077 4.519 1.00 0.00 N ATOM 322 CA GLY A 23 2.419 -11.153 3.657 1.00 0.00 C ATOM 323 C GLY A 23 3.127 -9.818 3.508 1.00 0.00 C ATOM 324 O GLY A 23 2.939 -9.115 2.516 1.00 0.00 O ATOM 0 H GLY A 23 2.554 -12.564 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.294 -11.604 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.420 -10.986 4.061 1.00 0.00 H new ATOM 328 N GLN A 24 3.942 -9.467 4.500 1.00 0.00 N ATOM 329 CA GLN A 24 4.682 -8.205 4.487 1.00 0.00 C ATOM 330 C GLN A 24 5.922 -8.280 3.592 1.00 0.00 C ATOM 331 O GLN A 24 6.967 -7.723 3.924 1.00 0.00 O ATOM 332 CB GLN A 24 5.096 -7.816 5.913 1.00 0.00 C ATOM 333 CG GLN A 24 5.827 -8.914 6.678 1.00 0.00 C ATOM 334 CD GLN A 24 7.270 -9.078 6.243 1.00 0.00 C ATOM 335 OE1 GLN A 24 8.177 -8.477 6.819 1.00 0.00 O ATOM 336 NE2 GLN A 24 7.489 -9.893 5.218 1.00 0.00 N ATOM 0 H GLN A 24 4.108 -10.041 5.327 1.00 0.00 H new ATOM 0 HA GLN A 24 4.018 -7.443 4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 24 5.736 -6.935 5.865 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.205 -7.532 6.472 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.798 -8.688 7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.301 -9.859 6.538 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.707 -10.371 4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.439 -10.041 4.878 1.00 0.00 H new ATOM 345 N SER A 25 5.806 -8.962 2.455 1.00 0.00 N ATOM 346 CA SER A 25 6.924 -9.092 1.529 1.00 0.00 C ATOM 347 C SER A 25 6.796 -8.106 0.372 1.00 0.00 C ATOM 348 O SER A 25 7.342 -8.329 -0.709 1.00 0.00 O ATOM 349 CB SER A 25 7.001 -10.520 0.988 1.00 0.00 C ATOM 350 OG SER A 25 5.976 -10.766 0.042 1.00 0.00 O ATOM 0 H SER A 25 4.951 -9.431 2.155 1.00 0.00 H new ATOM 0 HA SER A 25 7.840 -8.865 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.974 -10.684 0.525 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.917 -11.229 1.812 1.00 0.00 H new ATOM 0 HG SER A 25 6.050 -11.686 -0.289 1.00 0.00 H new ATOM 356 N TYR A 26 6.070 -7.013 0.602 1.00 0.00 N ATOM 357 CA TYR A 26 5.872 -5.992 -0.423 1.00 0.00 C ATOM 358 C TYR A 26 5.453 -6.615 -1.754 1.00 0.00 C ATOM 359 O TYR A 26 5.736 -6.069 -2.821 1.00 0.00 O ATOM 360 CB TYR A 26 7.155 -5.179 -0.613 1.00 0.00 C ATOM 361 CG TYR A 26 7.298 -4.033 0.364 1.00 0.00 C ATOM 362 CD1 TYR A 26 6.428 -2.950 0.326 1.00 0.00 C ATOM 363 CD2 TYR A 26 8.301 -4.036 1.325 1.00 0.00 C ATOM 364 CE1 TYR A 26 6.555 -1.901 1.217 1.00 0.00 C ATOM 365 CE2 TYR A 26 8.434 -2.991 2.220 1.00 0.00 C ATOM 366 CZ TYR A 26 7.560 -1.927 2.161 1.00 0.00 C ATOM 367 OH TYR A 26 7.690 -0.885 3.051 1.00 0.00 O ATOM 0 H TYR A 26 5.609 -6.813 1.490 1.00 0.00 H new ATOM 0 HA TYR A 26 5.071 -5.333 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.014 -5.842 -0.510 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.178 -4.784 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.640 -2.928 -0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.988 -4.868 1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.871 -1.066 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 26 9.219 -3.008 2.962 1.00 0.00 H new ATOM 0 HH TYR A 26 7.929 -1.237 3.934 1.00 0.00 H new ATOM 377 N ARG A 27 4.780 -7.759 -1.682 1.00 0.00 N ATOM 378 CA ARG A 27 4.326 -8.455 -2.881 1.00 0.00 C ATOM 379 C ARG A 27 2.806 -8.580 -2.897 1.00 0.00 C ATOM 380 O ARG A 27 2.140 -8.305 -1.899 1.00 0.00 O ATOM 381 CB ARG A 27 4.968 -9.841 -2.965 1.00 0.00 C ATOM 382 CG ARG A 27 5.413 -10.223 -4.367 1.00 0.00 C ATOM 383 CD ARG A 27 6.032 -11.611 -4.397 1.00 0.00 C ATOM 384 NE ARG A 27 7.119 -11.747 -3.430 1.00 0.00 N ATOM 385 CZ ARG A 27 8.347 -11.272 -3.621 1.00 0.00 C ATOM 386 NH1 ARG A 27 8.649 -10.628 -4.744 1.00 0.00 N ATOM 387 NH2 ARG A 27 9.276 -11.439 -2.691 1.00 0.00 N ATOM 0 H ARG A 27 4.537 -8.223 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 27 4.631 -7.869 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.830 -9.874 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.257 -10.584 -2.604 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.558 -10.190 -5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.136 -9.493 -4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.264 -12.355 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.410 -11.818 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 27 6.925 -12.236 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.938 -10.496 -5.463 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.592 -10.265 -4.886 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.050 -11.932 -1.827 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.217 -11.074 -2.839 1.00 0.00 H new ATOM 401 N GLY A 28 2.265 -8.999 -4.037 1.00 0.00 N ATOM 402 CA GLY A 28 0.827 -9.156 -4.161 1.00 0.00 C ATOM 403 C GLY A 28 0.298 -8.619 -5.478 1.00 0.00 C ATOM 404 O GLY A 28 -0.351 -9.341 -6.235 1.00 0.00 O ATOM 0 H GLY A 28 2.796 -9.232 -4.876 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.571 -10.212 -4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.335 -8.639 -3.337 1.00 0.00 H new ATOM 408 N THR A 29 0.573 -7.346 -5.748 1.00 0.00 N ATOM 409 CA THR A 29 0.124 -6.702 -6.981 1.00 0.00 C ATOM 410 C THR A 29 -1.370 -6.923 -7.211 1.00 0.00 C ATOM 411 O THR A 29 -1.843 -6.898 -8.347 1.00 0.00 O ATOM 412 CB THR A 29 0.920 -7.227 -8.179 1.00 0.00 C ATOM 413 OG1 THR A 29 1.137 -8.623 -8.068 1.00 0.00 O ATOM 414 CG2 THR A 29 2.271 -6.564 -8.336 1.00 0.00 C ATOM 0 H THR A 29 1.107 -6.737 -5.128 1.00 0.00 H new ATOM 0 HA THR A 29 0.298 -5.631 -6.878 1.00 0.00 H new ATOM 0 HB THR A 29 0.313 -6.991 -9.053 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.291 -9.070 -7.857 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.783 -6.982 -9.203 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.136 -5.492 -8.476 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.869 -6.740 -7.442 1.00 0.00 H new ATOM 422 N LEU A 30 -2.110 -7.132 -6.126 1.00 0.00 N ATOM 423 CA LEU A 30 -3.550 -7.350 -6.213 1.00 0.00 C ATOM 424 C LEU A 30 -4.303 -6.028 -6.116 1.00 0.00 C ATOM 425 O LEU A 30 -5.385 -5.874 -6.682 1.00 0.00 O ATOM 426 CB LEU A 30 -4.016 -8.296 -5.103 1.00 0.00 C ATOM 427 CG LEU A 30 -3.024 -9.399 -4.730 1.00 0.00 C ATOM 428 CD1 LEU A 30 -3.477 -10.124 -3.474 1.00 0.00 C ATOM 429 CD2 LEU A 30 -2.859 -10.378 -5.883 1.00 0.00 C ATOM 0 H LEU A 30 -1.736 -7.155 -5.177 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.765 -7.805 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.232 -7.707 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.952 -8.761 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.057 -8.938 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.758 -10.905 -3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.543 -9.415 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.455 -10.573 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.150 -11.156 -5.601 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.822 -10.832 -6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.486 -9.848 -6.760 1.00 0.00 H new ATOM 441 N SER A 31 -3.721 -5.077 -5.394 1.00 0.00 N ATOM 442 CA SER A 31 -4.329 -3.764 -5.215 1.00 0.00 C ATOM 443 C SER A 31 -5.629 -3.861 -4.424 1.00 0.00 C ATOM 444 O SER A 31 -6.495 -2.992 -4.522 1.00 0.00 O ATOM 445 CB SER A 31 -4.587 -3.103 -6.569 1.00 0.00 C ATOM 446 OG SER A 31 -4.317 -1.712 -6.520 1.00 0.00 O ATOM 0 H SER A 31 -2.825 -5.192 -4.921 1.00 0.00 H new ATOM 0 HA SER A 31 -3.630 -3.149 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.962 -3.571 -7.330 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.624 -3.265 -6.864 1.00 0.00 H new ATOM 0 HG SER A 31 -4.653 -1.343 -5.676 1.00 0.00 H new ATOM 452 N THR A 32 -5.753 -4.919 -3.631 1.00 0.00 N ATOM 453 CA THR A 32 -6.939 -5.126 -2.811 1.00 0.00 C ATOM 454 C THR A 32 -6.550 -5.181 -1.340 1.00 0.00 C ATOM 455 O THR A 32 -5.368 -5.262 -1.007 1.00 0.00 O ATOM 456 CB THR A 32 -7.656 -6.414 -3.219 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.218 -6.852 -4.494 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.160 -6.271 -3.276 1.00 0.00 C ATOM 0 H THR A 32 -5.045 -5.647 -3.539 1.00 0.00 H new ATOM 0 HA THR A 32 -7.621 -4.290 -2.966 1.00 0.00 H new ATOM 0 HB THR A 32 -7.405 -7.139 -2.445 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.688 -7.678 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.605 -7.221 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.536 -5.984 -2.294 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.425 -5.504 -4.004 1.00 0.00 H new ATOM 466 N THR A 33 -7.541 -5.140 -0.458 1.00 0.00 N ATOM 467 CA THR A 33 -7.272 -5.187 0.972 1.00 0.00 C ATOM 468 C THR A 33 -7.999 -6.354 1.633 1.00 0.00 C ATOM 469 O THR A 33 -7.518 -6.913 2.615 1.00 0.00 O ATOM 470 CB THR A 33 -7.667 -3.867 1.646 1.00 0.00 C ATOM 471 OG1 THR A 33 -7.200 -3.826 2.982 1.00 0.00 O ATOM 472 CG2 THR A 33 -9.159 -3.620 1.678 1.00 0.00 C ATOM 0 H THR A 33 -8.529 -5.075 -0.705 1.00 0.00 H new ATOM 0 HA THR A 33 -6.200 -5.336 1.100 1.00 0.00 H new ATOM 0 HB THR A 33 -7.204 -3.091 1.036 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.168 -2.896 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.360 -2.668 2.170 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.545 -3.591 0.659 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.649 -4.423 2.228 1.00 0.00 H new ATOM 480 N ILE A 34 -9.161 -6.715 1.096 1.00 0.00 N ATOM 481 CA ILE A 34 -9.944 -7.811 1.653 1.00 0.00 C ATOM 482 C ILE A 34 -10.674 -8.589 0.564 1.00 0.00 C ATOM 483 O ILE A 34 -10.259 -9.686 0.189 1.00 0.00 O ATOM 484 CB ILE A 34 -10.971 -7.297 2.677 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.299 -6.358 3.677 1.00 0.00 C ATOM 486 CG2 ILE A 34 -11.633 -8.460 3.402 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.344 -7.059 4.617 1.00 0.00 C ATOM 0 H ILE A 34 -9.579 -6.267 0.280 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.239 -8.477 2.151 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.742 -6.742 2.143 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.757 -5.586 3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.068 -5.854 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.356 -8.076 4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.144 -9.096 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.874 -9.042 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.904 -6.331 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.885 -7.812 5.190 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.554 -7.540 4.041 1.00 0.00 H new ATOM 499 N THR A 35 -11.769 -8.023 0.064 1.00 0.00 N ATOM 500 CA THR A 35 -12.556 -8.673 -0.973 1.00 0.00 C ATOM 501 C THR A 35 -13.074 -7.656 -1.986 1.00 0.00 C ATOM 502 O THR A 35 -12.878 -7.811 -3.191 1.00 0.00 O ATOM 503 CB THR A 35 -13.728 -9.433 -0.352 1.00 0.00 C ATOM 504 OG1 THR A 35 -13.353 -10.004 0.889 1.00 0.00 O ATOM 505 CG2 THR A 35 -14.253 -10.546 -1.232 1.00 0.00 C ATOM 0 H THR A 35 -12.129 -7.116 0.362 1.00 0.00 H new ATOM 0 HA THR A 35 -11.909 -9.378 -1.494 1.00 0.00 H new ATOM 0 HB THR A 35 -14.518 -8.693 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.116 -10.485 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.083 -11.044 -0.732 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.597 -10.130 -2.179 1.00 0.00 H new ATOM 0 HG23 THR A 35 -13.457 -11.267 -1.420 1.00 0.00 H new ATOM 513 N GLY A 36 -13.735 -6.616 -1.487 1.00 0.00 N ATOM 514 CA GLY A 36 -14.273 -5.589 -2.360 1.00 0.00 C ATOM 515 C GLY A 36 -13.779 -4.201 -2.001 1.00 0.00 C ATOM 516 O GLY A 36 -14.462 -3.208 -2.249 1.00 0.00 O ATOM 0 H GLY A 36 -13.908 -6.466 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.998 -5.813 -3.391 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.362 -5.608 -2.309 1.00 0.00 H new ATOM 520 N ARG A 37 -12.589 -4.135 -1.416 1.00 0.00 N ATOM 521 CA ARG A 37 -11.998 -2.860 -1.021 1.00 0.00 C ATOM 522 C ARG A 37 -10.501 -2.852 -1.311 1.00 0.00 C ATOM 523 O ARG A 37 -9.846 -3.894 -1.263 1.00 0.00 O ATOM 524 CB ARG A 37 -12.249 -2.580 0.468 1.00 0.00 C ATOM 525 CG ARG A 37 -12.921 -3.725 1.213 1.00 0.00 C ATOM 526 CD ARG A 37 -13.359 -3.303 2.607 1.00 0.00 C ATOM 527 NE ARG A 37 -14.772 -2.933 2.648 1.00 0.00 N ATOM 528 CZ ARG A 37 -15.485 -2.858 3.768 1.00 0.00 C ATOM 529 NH1 ARG A 37 -14.924 -3.128 4.940 1.00 0.00 N ATOM 530 NH2 ARG A 37 -16.765 -2.514 3.718 1.00 0.00 N ATOM 0 H ARG A 37 -12.013 -4.950 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.473 -2.072 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.297 -2.357 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.869 -1.688 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.787 -4.070 0.647 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.232 -4.567 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.177 -4.119 3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.753 -2.459 2.937 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.239 -2.720 1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.941 -3.395 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.476 -3.069 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.203 -2.307 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.312 -2.457 4.577 1.00 0.00 H new ATOM 544 N THR A 38 -9.960 -1.675 -1.620 1.00 0.00 N ATOM 545 CA THR A 38 -8.540 -1.552 -1.922 1.00 0.00 C ATOM 546 C THR A 38 -7.733 -1.189 -0.683 1.00 0.00 C ATOM 547 O THR A 38 -8.240 -1.202 0.436 1.00 0.00 O ATOM 548 CB THR A 38 -8.301 -0.495 -3.002 1.00 0.00 C ATOM 549 OG1 THR A 38 -8.415 0.816 -2.464 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.258 -0.599 -4.168 1.00 0.00 C ATOM 0 H THR A 38 -10.482 -0.800 -1.667 1.00 0.00 H new ATOM 0 HA THR A 38 -8.208 -2.525 -2.285 1.00 0.00 H new ATOM 0 HB THR A 38 -7.291 -0.684 -3.366 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.959 1.452 -3.054 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.031 0.180 -4.895 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.153 -1.576 -4.639 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.281 -0.476 -3.811 1.00 0.00 H new ATOM 558 N CYS A 39 -6.468 -0.864 -0.905 1.00 0.00 N ATOM 559 CA CYS A 39 -5.567 -0.491 0.173 1.00 0.00 C ATOM 560 C CYS A 39 -5.351 1.024 0.227 1.00 0.00 C ATOM 561 O CYS A 39 -4.496 1.506 0.969 1.00 0.00 O ATOM 562 CB CYS A 39 -4.230 -1.206 -0.003 1.00 0.00 C ATOM 563 SG CYS A 39 -3.972 -2.572 1.170 1.00 0.00 S ATOM 0 H CYS A 39 -6.040 -0.852 -1.831 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.023 -0.794 1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.167 -1.595 -1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.423 -0.482 0.112 1.00 0.00 H new ATOM 568 N GLN A 40 -6.127 1.771 -0.556 1.00 0.00 N ATOM 569 CA GLN A 40 -6.008 3.227 -0.582 1.00 0.00 C ATOM 570 C GLN A 40 -4.631 3.654 -1.079 1.00 0.00 C ATOM 571 O GLN A 40 -3.608 3.274 -0.511 1.00 0.00 O ATOM 572 CB GLN A 40 -6.263 3.799 0.813 1.00 0.00 C ATOM 573 CG GLN A 40 -7.645 4.409 0.976 1.00 0.00 C ATOM 574 CD GLN A 40 -7.948 5.460 -0.074 1.00 0.00 C ATOM 575 OE1 GLN A 40 -7.054 6.172 -0.531 1.00 0.00 O ATOM 576 NE2 GLN A 40 -9.213 5.560 -0.463 1.00 0.00 N ATOM 0 H GLN A 40 -6.842 1.394 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.756 3.618 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.135 3.007 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.512 4.559 1.028 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.395 3.620 0.921 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.725 4.857 1.966 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.921 4.949 -0.057 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.477 6.248 -1.168 1.00 0.00 H new ATOM 585 N SER A 41 -4.615 4.443 -2.148 1.00 0.00 N ATOM 586 CA SER A 41 -3.363 4.918 -2.726 1.00 0.00 C ATOM 587 C SER A 41 -2.688 5.922 -1.800 1.00 0.00 C ATOM 588 O SER A 41 -3.087 7.083 -1.737 1.00 0.00 O ATOM 589 CB SER A 41 -3.612 5.548 -4.098 1.00 0.00 C ATOM 590 OG SER A 41 -2.592 6.475 -4.432 1.00 0.00 O ATOM 0 H SER A 41 -5.453 4.767 -2.631 1.00 0.00 H new ATOM 0 HA SER A 41 -2.699 4.062 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.659 4.766 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.579 6.052 -4.099 1.00 0.00 H new ATOM 0 HG SER A 41 -2.776 6.860 -5.314 1.00 0.00 H new ATOM 596 N TRP A 42 -1.662 5.459 -1.087 1.00 0.00 N ATOM 597 CA TRP A 42 -0.916 6.307 -0.153 1.00 0.00 C ATOM 598 C TRP A 42 -0.598 7.663 -0.778 1.00 0.00 C ATOM 599 O TRP A 42 0.453 7.839 -1.394 1.00 0.00 O ATOM 600 CB TRP A 42 0.390 5.637 0.284 1.00 0.00 C ATOM 601 CG TRP A 42 0.323 4.139 0.369 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.544 3.254 -0.646 1.00 0.00 C ATOM 603 CD2 TRP A 42 0.029 3.354 1.529 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.395 1.965 -0.190 1.00 0.00 N ATOM 605 CE2 TRP A 42 0.082 1.999 1.142 1.00 0.00 C ATOM 606 CE3 TRP A 42 -0.277 3.661 2.858 1.00 0.00 C ATOM 607 CZ2 TRP A 42 -0.158 0.960 2.036 1.00 0.00 C ATOM 608 CZ3 TRP A 42 -0.515 2.628 3.744 1.00 0.00 C ATOM 609 CH2 TRP A 42 -0.452 1.292 3.331 1.00 0.00 C ATOM 0 H TRP A 42 -1.326 4.497 -1.138 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.550 6.454 0.721 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.178 5.914 -0.417 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.677 6.031 1.259 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.799 3.526 -1.660 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.501 1.121 -0.753 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.327 4.689 3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -0.114 -0.072 1.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -0.754 2.855 4.773 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.639 0.507 4.049 1.00 0.00 H new ATOM 620 N SER A 43 -1.521 8.609 -0.612 1.00 0.00 N ATOM 621 CA SER A 43 -1.380 9.964 -1.151 1.00 0.00 C ATOM 622 C SER A 43 -2.753 10.555 -1.463 1.00 0.00 C ATOM 623 O SER A 43 -2.909 11.771 -1.559 1.00 0.00 O ATOM 624 CB SER A 43 -0.522 9.977 -2.423 1.00 0.00 C ATOM 625 OG SER A 43 -0.738 11.159 -3.177 1.00 0.00 O ATOM 0 H SER A 43 -2.390 8.459 -0.099 1.00 0.00 H new ATOM 0 HA SER A 43 -0.882 10.568 -0.392 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.532 9.902 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.759 9.105 -3.033 1.00 0.00 H new ATOM 0 HG SER A 43 -0.178 11.141 -3.981 1.00 0.00 H new ATOM 631 N SER A 44 -3.747 9.682 -1.623 1.00 0.00 N ATOM 632 CA SER A 44 -5.104 10.122 -1.929 1.00 0.00 C ATOM 633 C SER A 44 -5.817 10.605 -0.670 1.00 0.00 C ATOM 634 O SER A 44 -5.971 9.856 0.295 1.00 0.00 O ATOM 635 CB SER A 44 -5.898 8.983 -2.574 1.00 0.00 C ATOM 636 OG SER A 44 -5.499 7.726 -2.055 1.00 0.00 O ATOM 0 H SER A 44 -3.637 8.671 -1.546 1.00 0.00 H new ATOM 0 HA SER A 44 -5.040 10.954 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.963 9.132 -2.396 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.750 8.998 -3.654 1.00 0.00 H new ATOM 0 HG SER A 44 -6.264 7.293 -1.623 1.00 0.00 H new ATOM 642 N MET A 45 -6.248 11.862 -0.687 1.00 0.00 N ATOM 643 CA MET A 45 -6.944 12.448 0.451 1.00 0.00 C ATOM 644 C MET A 45 -8.280 13.049 0.024 1.00 0.00 C ATOM 645 O MET A 45 -8.337 14.176 -0.469 1.00 0.00 O ATOM 646 CB MET A 45 -6.074 13.522 1.108 1.00 0.00 C ATOM 647 CG MET A 45 -5.335 13.034 2.344 1.00 0.00 C ATOM 648 SD MET A 45 -3.800 13.931 2.634 1.00 0.00 S ATOM 649 CE MET A 45 -2.734 12.602 3.190 1.00 0.00 C ATOM 0 H MET A 45 -6.127 12.495 -1.478 1.00 0.00 H new ATOM 0 HA MET A 45 -7.139 11.655 1.173 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.348 13.885 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.702 14.370 1.381 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.982 13.139 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.116 11.972 2.236 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.771 13.011 3.495 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.197 12.094 4.036 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.585 11.891 2.378 1.00 0.00 H new ATOM 659 N THR A 46 -9.353 12.291 0.222 1.00 0.00 N ATOM 660 CA THR A 46 -10.690 12.751 -0.138 1.00 0.00 C ATOM 661 C THR A 46 -11.747 12.131 0.778 1.00 0.00 C ATOM 662 O THR A 46 -12.397 12.840 1.546 1.00 0.00 O ATOM 663 CB THR A 46 -10.998 12.436 -1.606 1.00 0.00 C ATOM 664 OG1 THR A 46 -9.914 11.761 -2.220 1.00 0.00 O ATOM 665 CG2 THR A 46 -11.290 13.672 -2.430 1.00 0.00 C ATOM 0 H THR A 46 -9.324 11.356 0.629 1.00 0.00 H new ATOM 0 HA THR A 46 -10.719 13.833 -0.007 1.00 0.00 H new ATOM 0 HB THR A 46 -11.888 11.808 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.135 11.570 -3.155 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.500 13.382 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.155 14.190 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.426 14.336 -2.409 1.00 0.00 H new ATOM 673 N PRO A 47 -11.937 10.798 0.719 1.00 0.00 N ATOM 674 CA PRO A 47 -12.921 10.112 1.560 1.00 0.00 C ATOM 675 C PRO A 47 -12.432 9.949 2.995 1.00 0.00 C ATOM 676 O PRO A 47 -13.222 9.960 3.939 1.00 0.00 O ATOM 677 CB PRO A 47 -13.064 8.750 0.884 1.00 0.00 C ATOM 678 CG PRO A 47 -11.732 8.505 0.264 1.00 0.00 C ATOM 679 CD PRO A 47 -11.213 9.854 -0.158 1.00 0.00 C ATOM 0 HA PRO A 47 -13.857 10.665 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.316 7.973 1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.856 8.759 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.053 8.031 0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.818 7.835 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.134 9.928 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.416 10.050 -1.211 1.00 0.00 H new ATOM 687 N HIS A 48 -11.120 9.800 3.148 1.00 0.00 N ATOM 688 CA HIS A 48 -10.513 9.636 4.464 1.00 0.00 C ATOM 689 C HIS A 48 -9.026 9.975 4.417 1.00 0.00 C ATOM 690 O HIS A 48 -8.336 9.642 3.455 1.00 0.00 O ATOM 691 CB HIS A 48 -10.708 8.205 4.976 1.00 0.00 C ATOM 692 CG HIS A 48 -10.740 7.169 3.892 1.00 0.00 C ATOM 693 ND1 HIS A 48 -11.892 6.822 3.217 1.00 0.00 N ATOM 694 CD2 HIS A 48 -9.755 6.402 3.367 1.00 0.00 C ATOM 695 CE1 HIS A 48 -11.615 5.886 2.328 1.00 0.00 C ATOM 696 NE2 HIS A 48 -10.325 5.613 2.397 1.00 0.00 N ATOM 0 H HIS A 48 -10.455 9.789 2.374 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.007 10.323 5.151 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.902 7.965 5.670 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.640 8.155 5.540 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -12.814 7.226 3.379 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.715 6.409 3.657 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -12.324 5.422 1.658 1.00 0.00 H new ATOM 705 N TRP A 49 -8.539 10.642 5.460 1.00 0.00 N ATOM 706 CA TRP A 49 -7.132 11.028 5.533 1.00 0.00 C ATOM 707 C TRP A 49 -6.223 9.826 5.297 1.00 0.00 C ATOM 708 O TRP A 49 -6.610 8.684 5.545 1.00 0.00 O ATOM 709 CB TRP A 49 -6.824 11.662 6.892 1.00 0.00 C ATOM 710 CG TRP A 49 -6.544 13.132 6.811 1.00 0.00 C ATOM 711 CD1 TRP A 49 -7.413 14.147 7.089 1.00 0.00 C ATOM 712 CD2 TRP A 49 -5.313 13.752 6.426 1.00 0.00 C ATOM 713 NE1 TRP A 49 -6.798 15.359 6.901 1.00 0.00 N ATOM 714 CE2 TRP A 49 -5.509 15.144 6.495 1.00 0.00 C ATOM 715 CE3 TRP A 49 -4.061 13.268 6.030 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -4.505 16.055 6.182 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -3.063 14.174 5.721 1.00 0.00 C ATOM 718 CH2 TRP A 49 -3.291 15.554 5.799 1.00 0.00 C ATOM 0 H TRP A 49 -9.097 10.926 6.265 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.941 11.761 4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.668 11.496 7.562 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.963 11.159 7.333 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.436 14.015 7.410 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.231 16.272 7.041 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.877 12.206 5.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.678 17.120 6.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.093 13.812 5.415 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.492 16.237 5.552 1.00 0.00 H new ATOM 729 N HIS A 50 -5.015 10.091 4.811 1.00 0.00 N ATOM 730 CA HIS A 50 -4.054 9.029 4.538 1.00 0.00 C ATOM 731 C HIS A 50 -2.913 9.042 5.551 1.00 0.00 C ATOM 732 O HIS A 50 -2.979 9.734 6.566 1.00 0.00 O ATOM 733 CB HIS A 50 -3.499 9.170 3.119 1.00 0.00 C ATOM 734 CG HIS A 50 -3.681 7.939 2.290 1.00 0.00 C ATOM 735 ND1 HIS A 50 -4.375 7.930 1.099 1.00 0.00 N ATOM 736 CD2 HIS A 50 -3.259 6.667 2.487 1.00 0.00 C ATOM 737 CE1 HIS A 50 -4.373 6.707 0.599 1.00 0.00 C ATOM 738 NE2 HIS A 50 -3.701 5.922 1.421 1.00 0.00 N ATOM 0 H HIS A 50 -4.679 11.030 4.598 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.574 8.075 4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.990 10.008 2.625 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.437 9.410 3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -4.821 8.741 0.670 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.682 6.306 3.326 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.841 6.401 -0.325 1.00 0.00 H new ATOM 747 N ARG A 51 -1.869 8.271 5.266 1.00 0.00 N ATOM 748 CA ARG A 51 -0.713 8.189 6.151 1.00 0.00 C ATOM 749 C ARG A 51 0.338 9.227 5.772 1.00 0.00 C ATOM 750 O ARG A 51 0.061 10.153 5.009 1.00 0.00 O ATOM 751 CB ARG A 51 -0.108 6.782 6.105 1.00 0.00 C ATOM 752 CG ARG A 51 0.632 6.470 4.810 1.00 0.00 C ATOM 753 CD ARG A 51 1.391 5.157 4.905 1.00 0.00 C ATOM 754 NE ARG A 51 2.466 5.213 5.894 1.00 0.00 N ATOM 755 CZ ARG A 51 2.313 4.906 7.181 1.00 0.00 C ATOM 756 NH1 ARG A 51 1.127 4.530 7.647 1.00 0.00 N ATOM 757 NH2 ARG A 51 3.347 4.977 8.006 1.00 0.00 N ATOM 0 H ARG A 51 -1.800 7.693 4.428 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.047 8.397 7.167 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.580 6.666 6.942 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.904 6.050 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.080 6.421 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.328 7.278 4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.699 4.357 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.809 4.909 3.929 1.00 0.00 H new ATOM 0 HE ARG A 51 3.391 5.505 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.326 4.475 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.017 4.296 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.260 5.267 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.230 4.742 8.992 1.00 0.00 H new ATOM 771 N ARG A 52 1.543 9.064 6.309 1.00 0.00 N ATOM 772 CA ARG A 52 2.637 9.984 6.023 1.00 0.00 C ATOM 773 C ARG A 52 2.959 9.990 4.534 1.00 0.00 C ATOM 774 O ARG A 52 3.864 9.290 4.081 1.00 0.00 O ATOM 775 CB ARG A 52 3.881 9.598 6.826 1.00 0.00 C ATOM 776 CG ARG A 52 3.589 9.262 8.279 1.00 0.00 C ATOM 777 CD ARG A 52 4.810 9.477 9.158 1.00 0.00 C ATOM 778 NE ARG A 52 4.759 10.757 9.863 1.00 0.00 N ATOM 779 CZ ARG A 52 3.891 11.034 10.832 1.00 0.00 C ATOM 780 NH1 ARG A 52 3.001 10.128 11.216 1.00 0.00 N ATOM 781 NH2 ARG A 52 3.913 12.223 11.421 1.00 0.00 N ATOM 0 H ARG A 52 1.786 8.304 6.944 1.00 0.00 H new ATOM 0 HA ARG A 52 2.325 10.987 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.357 8.739 6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.596 10.420 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.767 9.881 8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.263 8.225 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.882 8.666 9.883 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.710 9.437 8.544 1.00 0.00 H new ATOM 0 HE ARG A 52 5.428 11.479 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.979 9.212 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.338 10.347 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.595 12.924 11.130 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.248 12.436 12.164 1.00 0.00 H new ATOM 795 N ILE A 53 2.204 10.779 3.776 1.00 0.00 N ATOM 796 CA ILE A 53 2.397 10.875 2.335 1.00 0.00 C ATOM 797 C ILE A 53 3.859 11.117 1.974 1.00 0.00 C ATOM 798 O ILE A 53 4.663 11.490 2.827 1.00 0.00 O ATOM 799 CB ILE A 53 1.538 12.000 1.727 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.735 13.302 2.502 1.00 0.00 C ATOM 801 CG2 ILE A 53 0.076 11.590 1.715 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.325 14.533 1.728 1.00 0.00 C ATOM 0 H ILE A 53 1.450 11.363 4.138 1.00 0.00 H new ATOM 0 HA ILE A 53 2.085 9.917 1.919 1.00 0.00 H new ATOM 0 HB ILE A 53 1.856 12.170 0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.160 13.256 3.427 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.784 13.393 2.784 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.523 12.392 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.043 10.686 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.256 11.398 2.735 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.492 15.420 2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.918 14.604 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.268 14.465 1.469 1.00 0.00 H new ATOM 814 N PRO A 54 4.211 10.892 0.698 1.00 0.00 N ATOM 815 CA PRO A 54 5.582 11.070 0.185 1.00 0.00 C ATOM 816 C PRO A 54 6.120 12.491 0.362 1.00 0.00 C ATOM 817 O PRO A 54 6.430 13.172 -0.616 1.00 0.00 O ATOM 818 CB PRO A 54 5.435 10.745 -1.309 1.00 0.00 C ATOM 819 CG PRO A 54 3.988 10.941 -1.584 1.00 0.00 C ATOM 820 CD PRO A 54 3.304 10.428 -0.365 1.00 0.00 C ATOM 0 HA PRO A 54 6.292 10.441 0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.050 11.404 -1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.747 9.724 -1.527 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.756 11.992 -1.757 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.676 10.395 -2.474 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.300 10.838 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.206 9.342 -0.376 1.00 0.00 H new ATOM 828 N LEU A 55 6.240 12.929 1.609 1.00 0.00 N ATOM 829 CA LEU A 55 6.753 14.265 1.900 1.00 0.00 C ATOM 830 C LEU A 55 7.556 14.274 3.199 1.00 0.00 C ATOM 831 O LEU A 55 8.565 14.969 3.309 1.00 0.00 O ATOM 832 CB LEU A 55 5.609 15.273 1.995 1.00 0.00 C ATOM 833 CG LEU A 55 4.725 15.374 0.750 1.00 0.00 C ATOM 834 CD1 LEU A 55 3.612 16.385 0.974 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.554 15.753 -0.471 1.00 0.00 C ATOM 0 H LEU A 55 5.991 12.382 2.433 1.00 0.00 H new ATOM 0 HA LEU A 55 7.413 14.551 1.081 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.982 15.007 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.029 16.257 2.204 1.00 0.00 H new ATOM 0 HG LEU A 55 4.276 14.398 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.991 16.447 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.000 16.071 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.045 17.363 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.906 15.819 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.033 16.717 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.317 14.994 -0.642 1.00 0.00 H new ATOM 847 N TYR A 56 7.096 13.504 4.179 1.00 0.00 N ATOM 848 CA TYR A 56 7.767 13.426 5.472 1.00 0.00 C ATOM 849 C TYR A 56 8.703 12.225 5.523 1.00 0.00 C ATOM 850 O TYR A 56 9.804 12.307 6.068 1.00 0.00 O ATOM 851 CB TYR A 56 6.743 13.340 6.610 1.00 0.00 C ATOM 852 CG TYR A 56 5.368 13.847 6.240 1.00 0.00 C ATOM 853 CD1 TYR A 56 4.471 13.031 5.567 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.971 15.140 6.554 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.217 13.485 5.219 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.716 15.603 6.210 1.00 0.00 C ATOM 857 CZ TYR A 56 2.842 14.771 5.543 1.00 0.00 C ATOM 858 OH TYR A 56 1.591 15.228 5.197 1.00 0.00 O ATOM 0 H TYR A 56 6.260 12.924 4.103 1.00 0.00 H new ATOM 0 HA TYR A 56 8.356 14.334 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.661 12.302 6.934 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.113 13.911 7.461 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.760 12.022 5.311 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.654 15.794 7.075 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.531 12.836 4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.421 16.611 6.462 1.00 0.00 H new ATOM 0 HH TYR A 56 1.486 16.154 5.500 1.00 0.00 H new ATOM 868 N TYR A 57 8.260 11.109 4.951 1.00 0.00 N ATOM 869 CA TYR A 57 9.069 9.895 4.934 1.00 0.00 C ATOM 870 C TYR A 57 9.896 9.820 3.655 1.00 0.00 C ATOM 871 O TYR A 57 9.490 10.336 2.614 1.00 0.00 O ATOM 872 CB TYR A 57 8.181 8.649 5.063 1.00 0.00 C ATOM 873 CG TYR A 57 7.553 8.197 3.762 1.00 0.00 C ATOM 874 CD1 TYR A 57 6.438 8.841 3.246 1.00 0.00 C ATOM 875 CD2 TYR A 57 8.082 7.126 3.052 1.00 0.00 C ATOM 876 CE1 TYR A 57 5.864 8.430 2.057 1.00 0.00 C ATOM 877 CE2 TYR A 57 7.515 6.709 1.864 1.00 0.00 C ATOM 878 CZ TYR A 57 6.406 7.363 1.370 1.00 0.00 C ATOM 879 OH TYR A 57 5.838 6.953 0.187 1.00 0.00 O ATOM 0 H TYR A 57 7.351 11.020 4.496 1.00 0.00 H new ATOM 0 HA TYR A 57 9.747 9.928 5.787 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.778 7.832 5.469 1.00 0.00 H new ATOM 0 HB3 TYR A 57 7.389 8.854 5.784 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.012 9.676 3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.951 6.611 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.996 8.941 1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.938 5.875 1.324 1.00 0.00 H new ATOM 0 HH TYR A 57 6.529 6.570 -0.392 1.00 0.00 H new ATOM 889 N PRO A 58 11.067 9.166 3.708 1.00 0.00 N ATOM 890 CA PRO A 58 11.935 9.020 2.540 1.00 0.00 C ATOM 891 C PRO A 58 11.190 8.386 1.374 1.00 0.00 C ATOM 892 O PRO A 58 10.892 7.192 1.396 1.00 0.00 O ATOM 893 CB PRO A 58 13.065 8.100 3.026 1.00 0.00 C ATOM 894 CG PRO A 58 12.566 7.498 4.299 1.00 0.00 C ATOM 895 CD PRO A 58 11.628 8.505 4.895 1.00 0.00 C ATOM 0 HA PRO A 58 12.299 9.980 2.174 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.289 7.329 2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.985 8.661 3.191 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.055 6.554 4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.391 7.284 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.854 8.030 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.149 9.210 5.543 1.00 0.00 H new ATOM 903 N ASN A 59 10.877 9.198 0.363 1.00 0.00 N ATOM 904 CA ASN A 59 10.149 8.730 -0.818 1.00 0.00 C ATOM 905 C ASN A 59 10.606 7.335 -1.241 1.00 0.00 C ATOM 906 O ASN A 59 11.574 7.184 -1.985 1.00 0.00 O ATOM 907 CB ASN A 59 10.329 9.717 -1.973 1.00 0.00 C ATOM 908 CG ASN A 59 9.999 11.142 -1.572 1.00 0.00 C ATOM 909 OD1 ASN A 59 10.725 12.078 -1.907 1.00 0.00 O ATOM 910 ND2 ASN A 59 8.897 11.315 -0.849 1.00 0.00 N ATOM 0 H ASN A 59 11.118 10.189 0.339 1.00 0.00 H new ATOM 0 HA ASN A 59 9.092 8.670 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.358 9.672 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.690 9.419 -2.805 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.625 12.252 -0.550 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.324 10.511 -0.593 1.00 0.00 H new ATOM 917 N ALA A 60 9.898 6.321 -0.752 1.00 0.00 N ATOM 918 CA ALA A 60 10.221 4.936 -1.064 1.00 0.00 C ATOM 919 C ALA A 60 9.676 4.538 -2.431 1.00 0.00 C ATOM 920 O ALA A 60 10.280 3.736 -3.141 1.00 0.00 O ATOM 921 CB ALA A 60 9.671 4.017 0.017 1.00 0.00 C ATOM 0 H ALA A 60 9.094 6.436 -0.135 1.00 0.00 H new ATOM 0 HA ALA A 60 11.306 4.837 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.917 2.983 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.113 4.280 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.588 4.128 0.073 1.00 0.00 H new ATOM 927 N GLY A 61 8.532 5.107 -2.794 1.00 0.00 N ATOM 928 CA GLY A 61 7.925 4.801 -4.076 1.00 0.00 C ATOM 929 C GLY A 61 6.694 3.927 -3.944 1.00 0.00 C ATOM 930 O GLY A 61 6.575 2.904 -4.620 1.00 0.00 O ATOM 0 H GLY A 61 8.014 5.775 -2.223 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.654 5.731 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.656 4.299 -4.710 1.00 0.00 H new ATOM 934 N LEU A 62 5.773 4.331 -3.075 1.00 0.00 N ATOM 935 CA LEU A 62 4.542 3.576 -2.862 1.00 0.00 C ATOM 936 C LEU A 62 3.762 3.441 -4.166 1.00 0.00 C ATOM 937 O LEU A 62 3.413 4.438 -4.798 1.00 0.00 O ATOM 938 CB LEU A 62 3.679 4.258 -1.798 1.00 0.00 C ATOM 939 CG LEU A 62 4.306 4.327 -0.403 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.617 5.388 0.442 1.00 0.00 C ATOM 941 CD2 LEU A 62 4.235 2.969 0.279 1.00 0.00 C ATOM 0 H LEU A 62 5.855 5.175 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 62 4.807 2.578 -2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.454 5.272 -2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.729 3.728 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 62 5.355 4.604 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.077 5.422 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.720 6.360 -0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.560 5.143 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.685 3.035 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.193 2.663 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.776 2.234 -0.317 1.00 0.00 H new ATOM 953 N THR A 63 3.500 2.200 -4.567 1.00 0.00 N ATOM 954 CA THR A 63 2.770 1.935 -5.803 1.00 0.00 C ATOM 955 C THR A 63 1.267 2.103 -5.608 1.00 0.00 C ATOM 956 O THR A 63 0.494 1.167 -5.813 1.00 0.00 O ATOM 957 CB THR A 63 3.081 0.525 -6.308 1.00 0.00 C ATOM 958 OG1 THR A 63 2.759 -0.443 -5.325 1.00 0.00 O ATOM 959 CG2 THR A 63 4.535 0.332 -6.682 1.00 0.00 C ATOM 0 H THR A 63 3.782 1.364 -4.055 1.00 0.00 H new ATOM 0 HA THR A 63 3.096 2.662 -6.547 1.00 0.00 H new ATOM 0 HB THR A 63 2.471 0.397 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.964 -1.338 -5.668 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.688 -0.689 -7.032 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.803 1.031 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.162 0.514 -5.810 1.00 0.00 H new ATOM 967 N ARG A 64 0.857 3.305 -5.222 1.00 0.00 N ATOM 968 CA ARG A 64 -0.553 3.600 -5.014 1.00 0.00 C ATOM 969 C ARG A 64 -1.181 2.618 -4.016 1.00 0.00 C ATOM 970 O ARG A 64 -0.605 2.343 -2.965 1.00 0.00 O ATOM 971 CB ARG A 64 -1.291 3.569 -6.356 1.00 0.00 C ATOM 972 CG ARG A 64 -0.577 4.329 -7.462 1.00 0.00 C ATOM 973 CD ARG A 64 -1.558 4.872 -8.488 1.00 0.00 C ATOM 974 NE ARG A 64 -1.912 6.264 -8.224 1.00 0.00 N ATOM 975 CZ ARG A 64 -1.048 7.275 -8.295 1.00 0.00 C ATOM 976 NH1 ARG A 64 0.220 7.052 -8.619 1.00 0.00 N ATOM 977 NH2 ARG A 64 -1.452 8.512 -8.039 1.00 0.00 N ATOM 0 H ARG A 64 1.483 4.091 -5.047 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.643 4.599 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.422 2.532 -6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.288 3.990 -6.223 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.008 5.152 -7.030 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.138 3.670 -7.954 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.122 4.791 -9.484 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.461 4.261 -8.485 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.877 6.474 -7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.537 6.103 -8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.877 7.830 -8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.425 8.689 -7.788 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.790 9.286 -8.093 1.00 0.00 H new ATOM 991 N ASN A 65 -2.366 2.102 -4.343 1.00 0.00 N ATOM 992 CA ASN A 65 -3.065 1.167 -3.467 1.00 0.00 C ATOM 993 C ASN A 65 -2.782 -0.276 -3.864 1.00 0.00 C ATOM 994 O ASN A 65 -3.701 -1.083 -4.001 1.00 0.00 O ATOM 995 CB ASN A 65 -4.573 1.426 -3.518 1.00 0.00 C ATOM 996 CG ASN A 65 -5.142 1.253 -4.913 1.00 0.00 C ATOM 997 OD1 ASN A 65 -5.666 0.067 -5.196 1.00 0.00 O flip ATOM 998 ND2 ASN A 65 -5.112 2.177 -5.727 1.00 0.00 N flip ATOM 0 H ASN A 65 -2.860 2.317 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.701 1.323 -2.451 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.079 0.744 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.777 2.438 -3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.699 3.073 -5.467 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.500 2.046 -6.661 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.509 -0.600 -4.057 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.126 -1.950 -4.448 1.00 0.00 C ATOM 1007 C TYR A 66 -0.852 -2.834 -3.235 1.00 0.00 C ATOM 1008 O TYR A 66 0.301 -3.156 -2.951 1.00 0.00 O ATOM 1009 CB TYR A 66 0.098 -1.911 -5.364 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.244 -2.126 -6.818 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -0.942 -3.257 -7.223 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.124 -1.202 -7.785 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -1.263 -3.458 -8.550 1.00 0.00 C ATOM 1014 CE2 TYR A 66 -0.193 -1.397 -9.117 1.00 0.00 C ATOM 1015 CZ TYR A 66 -0.887 -2.526 -9.493 1.00 0.00 C ATOM 1016 OH TYR A 66 -1.206 -2.724 -10.818 1.00 0.00 O ATOM 0 H TYR A 66 -0.730 0.049 -3.950 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.964 -2.386 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.597 -0.948 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.807 -2.676 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.238 -3.990 -6.488 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.667 -0.315 -7.493 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.807 -4.342 -8.848 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.102 -0.669 -9.858 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.869 -1.974 -11.351 1.00 0.00 H new ATOM 1026 N CYS A 67 -1.926 -3.231 -2.539 1.00 0.00 N ATOM 1027 CA CYS A 67 -1.834 -4.104 -1.352 1.00 0.00 C ATOM 1028 C CYS A 67 -0.411 -4.203 -0.804 1.00 0.00 C ATOM 1029 O CYS A 67 0.429 -4.913 -1.362 1.00 0.00 O ATOM 1030 CB CYS A 67 -2.351 -5.503 -1.700 1.00 0.00 C ATOM 1031 SG CYS A 67 -2.231 -6.713 -0.341 1.00 0.00 S ATOM 0 H CYS A 67 -2.880 -2.960 -2.778 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.450 -3.656 -0.572 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.393 -5.425 -2.009 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.792 -5.881 -2.556 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.140 -3.497 0.288 1.00 0.00 N ATOM 1037 CA ARG A 68 1.189 -3.523 0.889 1.00 0.00 C ATOM 1038 C ARG A 68 1.220 -2.769 2.215 1.00 0.00 C ATOM 1039 O ARG A 68 0.178 -2.422 2.769 1.00 0.00 O ATOM 1040 CB ARG A 68 2.215 -2.928 -0.080 1.00 0.00 C ATOM 1041 CG ARG A 68 2.052 -1.430 -0.295 1.00 0.00 C ATOM 1042 CD ARG A 68 2.341 -1.040 -1.735 1.00 0.00 C ATOM 1043 NE ARG A 68 3.585 -1.630 -2.225 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.793 -1.151 -1.942 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.927 -0.078 -1.173 1.00 0.00 N ATOM 1046 NH2 ARG A 68 5.872 -1.750 -2.430 1.00 0.00 N ATOM 0 H ARG A 68 -0.815 -2.905 0.772 1.00 0.00 H new ATOM 0 HA ARG A 68 1.444 -4.563 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.218 -3.125 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.132 -3.436 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.037 -1.132 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.725 -0.890 0.371 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.514 -1.359 -2.370 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.400 0.046 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 68 3.523 -2.457 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.100 0.385 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.857 0.284 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.774 -2.576 -3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.800 -1.385 -2.214 1.00 0.00 H new ATOM 1060 N ASN A 69 2.424 -2.523 2.719 1.00 0.00 N ATOM 1061 CA ASN A 69 2.599 -1.813 3.979 1.00 0.00 C ATOM 1062 C ASN A 69 3.915 -1.040 3.986 1.00 0.00 C ATOM 1063 O ASN A 69 4.884 -1.443 3.344 1.00 0.00 O ATOM 1064 CB ASN A 69 2.572 -2.801 5.149 1.00 0.00 C ATOM 1065 CG ASN A 69 3.431 -4.026 4.894 1.00 0.00 C ATOM 1066 OD1 ASN A 69 3.222 -5.074 5.684 1.00 0.00 O flip ATOM 1067 ND2 ASN A 69 4.273 -4.029 3.996 1.00 0.00 N flip ATOM 0 H ASN A 69 3.296 -2.806 2.272 1.00 0.00 H new ATOM 0 HA ASN A 69 1.778 -1.104 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.919 -2.299 6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.544 -3.114 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.400 -3.202 3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.844 -4.859 3.835 1.00 0.00 H new ATOM 1074 N PRO A 70 3.972 0.083 4.725 1.00 0.00 N ATOM 1075 CA PRO A 70 5.183 0.899 4.817 1.00 0.00 C ATOM 1076 C PRO A 70 6.234 0.234 5.695 1.00 0.00 C ATOM 1077 O PRO A 70 7.435 0.400 5.485 1.00 0.00 O ATOM 1078 CB PRO A 70 4.687 2.196 5.453 1.00 0.00 C ATOM 1079 CG PRO A 70 3.500 1.794 6.259 1.00 0.00 C ATOM 1080 CD PRO A 70 2.869 0.630 5.537 1.00 0.00 C ATOM 0 HA PRO A 70 5.663 1.050 3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.456 2.649 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 70 4.420 2.932 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.795 1.511 7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.796 2.621 6.352 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.480 -0.111 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.034 0.950 4.914 1.00 0.00 H new ATOM 1088 N ASP A 71 5.765 -0.534 6.673 1.00 0.00 N ATOM 1089 CA ASP A 71 6.646 -1.248 7.583 1.00 0.00 C ATOM 1090 C ASP A 71 6.582 -2.750 7.296 1.00 0.00 C ATOM 1091 O ASP A 71 6.288 -3.155 6.171 1.00 0.00 O ATOM 1092 CB ASP A 71 6.257 -0.953 9.035 1.00 0.00 C ATOM 1093 CG ASP A 71 7.451 -0.563 9.884 1.00 0.00 C ATOM 1094 OD1 ASP A 71 8.212 0.333 9.463 1.00 0.00 O ATOM 1095 OD2 ASP A 71 7.626 -1.152 10.973 1.00 0.00 O ATOM 0 H ASP A 71 4.771 -0.677 6.854 1.00 0.00 H new ATOM 0 HA ASP A 71 7.671 -0.910 7.430 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.522 -0.149 9.055 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.779 -1.833 9.466 1.00 0.00 H new ATOM 1100 N ALA A 72 6.858 -3.574 8.301 1.00 0.00 N ATOM 1101 CA ALA A 72 6.826 -5.020 8.122 1.00 0.00 C ATOM 1102 C ALA A 72 6.172 -5.719 9.309 1.00 0.00 C ATOM 1103 O ALA A 72 6.587 -5.537 10.454 1.00 0.00 O ATOM 1104 CB ALA A 72 8.235 -5.550 7.908 1.00 0.00 C ATOM 0 H ALA A 72 7.105 -3.268 9.242 1.00 0.00 H new ATOM 0 HA ALA A 72 6.223 -5.235 7.240 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.201 -6.631 7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.666 -5.089 7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.850 -5.310 8.776 1.00 0.00 H new ATOM 1110 N GLU A 73 5.155 -6.527 9.026 1.00 0.00 N ATOM 1111 CA GLU A 73 4.449 -7.264 10.068 1.00 0.00 C ATOM 1112 C GLU A 73 3.425 -8.222 9.468 1.00 0.00 C ATOM 1113 O GLU A 73 2.512 -7.811 8.752 1.00 0.00 O ATOM 1114 CB GLU A 73 3.780 -6.295 11.055 1.00 0.00 C ATOM 1115 CG GLU A 73 2.364 -5.882 10.674 1.00 0.00 C ATOM 1116 CD GLU A 73 1.985 -4.521 11.228 1.00 0.00 C ATOM 1117 OE1 GLU A 73 2.881 -3.662 11.353 1.00 0.00 O ATOM 1118 OE2 GLU A 73 0.791 -4.317 11.534 1.00 0.00 O ATOM 0 H GLU A 73 4.801 -6.688 8.083 1.00 0.00 H new ATOM 0 HA GLU A 73 5.180 -7.860 10.614 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.756 -6.759 12.041 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.396 -5.400 11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.274 -5.866 9.588 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.660 -6.629 11.041 1.00 0.00 H new ATOM 1125 N ILE A 74 3.594 -9.503 9.779 1.00 0.00 N ATOM 1126 CA ILE A 74 2.707 -10.566 9.305 1.00 0.00 C ATOM 1127 C ILE A 74 2.078 -10.271 7.937 1.00 0.00 C ATOM 1128 O ILE A 74 2.655 -10.609 6.903 1.00 0.00 O ATOM 1129 CB ILE A 74 1.616 -10.882 10.339 1.00 0.00 C ATOM 1130 CG1 ILE A 74 1.036 -9.616 10.968 1.00 0.00 C ATOM 1131 CG2 ILE A 74 2.204 -11.767 11.414 1.00 0.00 C ATOM 1132 CD1 ILE A 74 -0.473 -9.626 11.057 1.00 0.00 C ATOM 0 H ILE A 74 4.354 -9.838 10.371 1.00 0.00 H new ATOM 0 HA ILE A 74 3.340 -11.444 9.175 1.00 0.00 H new ATOM 0 HB ILE A 74 0.799 -11.392 9.828 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.451 -9.494 11.969 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.352 -8.752 10.384 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.438 -11.998 12.154 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.566 -12.692 10.966 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.032 -11.250 11.898 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.817 -8.698 11.513 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.896 -9.717 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.796 -10.471 11.666 1.00 0.00 H new ATOM 1144 N ARG A 75 0.894 -9.658 7.929 1.00 0.00 N ATOM 1145 CA ARG A 75 0.205 -9.347 6.683 1.00 0.00 C ATOM 1146 C ARG A 75 0.009 -7.836 6.530 1.00 0.00 C ATOM 1147 O ARG A 75 -0.287 -7.147 7.506 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.147 -10.070 6.659 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.068 -9.645 5.525 1.00 0.00 C ATOM 1150 CD ARG A 75 -3.388 -9.102 6.049 1.00 0.00 C ATOM 1151 NE ARG A 75 -4.454 -10.105 6.013 1.00 0.00 N ATOM 1152 CZ ARG A 75 -4.814 -10.854 7.057 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -4.157 -10.771 8.207 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -5.830 -11.699 6.945 1.00 0.00 N ATOM 0 H ARG A 75 0.396 -9.369 8.771 1.00 0.00 H new ATOM 0 HA ARG A 75 0.813 -9.689 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.970 -11.143 6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.655 -9.896 7.608 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.575 -8.883 4.921 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.258 -10.496 4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.254 -8.754 7.073 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.685 -8.238 5.454 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.953 -10.240 5.134 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.369 -10.130 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.440 -11.348 8.999 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.335 -11.776 6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.107 -12.272 7.742 1.00 0.00 H new ATOM 1168 N PRO A 76 0.189 -7.303 5.301 1.00 0.00 N ATOM 1169 CA PRO A 76 0.048 -5.875 5.000 1.00 0.00 C ATOM 1170 C PRO A 76 -1.072 -5.188 5.782 1.00 0.00 C ATOM 1171 O PRO A 76 -1.866 -5.835 6.463 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.258 -5.851 3.493 1.00 0.00 C ATOM 1173 CG PRO A 76 -0.083 -7.258 2.997 1.00 0.00 C ATOM 1174 CD PRO A 76 0.570 -8.043 4.100 1.00 0.00 C ATOM 0 HA PRO A 76 0.947 -5.327 5.283 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.273 -5.499 3.309 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.415 -5.170 2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.046 -7.695 2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.532 -7.275 2.097 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.212 -9.072 4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.652 -8.086 3.979 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.121 -3.862 5.675 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.130 -3.066 6.373 1.00 0.00 C ATOM 1184 C TRP A 77 -2.284 -1.698 5.731 1.00 0.00 C ATOM 1185 O TRP A 77 -1.368 -0.875 5.753 1.00 0.00 O ATOM 1186 CB TRP A 77 -1.759 -2.911 7.853 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.281 -2.961 8.109 1.00 0.00 C ATOM 1188 CD1 TRP A 77 0.498 -4.081 8.198 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.596 -1.847 8.307 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.804 -3.728 8.431 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.889 -2.365 8.505 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.414 -0.462 8.335 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.995 -1.548 8.726 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.512 0.349 8.556 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.788 -0.196 8.748 1.00 0.00 C ATOM 0 H TRP A 77 -0.472 -3.314 5.110 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.083 -3.591 6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.151 -1.963 8.220 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.246 -3.700 8.426 1.00 0.00 H new ATOM 0 HD1 TRP A 77 0.139 -5.095 8.099 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.584 -4.377 8.532 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.566 -0.033 8.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.980 -1.966 8.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.384 1.421 8.581 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.625 0.465 8.917 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.458 -1.467 5.164 1.00 0.00 N ATOM 1207 CA CYS A 78 -3.762 -0.206 4.510 1.00 0.00 C ATOM 1208 C CYS A 78 -5.237 0.123 4.681 1.00 0.00 C ATOM 1209 O CYS A 78 -5.972 -0.611 5.344 1.00 0.00 O ATOM 1210 CB CYS A 78 -3.406 -0.256 3.020 1.00 0.00 C ATOM 1211 SG CYS A 78 -2.625 -1.812 2.478 1.00 0.00 S ATOM 0 H CYS A 78 -4.221 -2.144 5.145 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.160 0.574 4.977 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.314 -0.098 2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.734 0.571 2.793 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.668 1.225 4.087 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.059 1.637 4.185 1.00 0.00 C ATOM 1218 C TYR A 79 -7.871 1.036 3.044 1.00 0.00 C ATOM 1219 O TYR A 79 -7.446 0.062 2.425 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.158 3.165 4.191 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.227 3.843 5.188 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.484 3.108 6.117 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.095 5.226 5.196 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -4.645 3.740 7.017 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.257 5.860 6.094 1.00 0.00 C ATOM 1226 CZ TYR A 79 -4.536 5.113 7.002 1.00 0.00 C ATOM 1227 OH TYR A 79 -3.701 5.744 7.896 1.00 0.00 O ATOM 0 H TYR A 79 -5.078 1.847 3.535 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.474 1.267 5.123 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.935 3.537 3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.185 3.451 4.416 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.566 2.031 6.132 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.657 5.816 4.488 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.077 3.159 7.729 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.167 6.936 6.085 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.739 6.713 7.752 1.00 0.00 H new ATOM 1237 N THR A 80 -9.044 1.594 2.769 1.00 0.00 N ATOM 1238 CA THR A 80 -9.891 1.070 1.704 1.00 0.00 C ATOM 1239 C THR A 80 -10.613 2.179 0.955 1.00 0.00 C ATOM 1240 O THR A 80 -10.895 3.242 1.507 1.00 0.00 O ATOM 1241 CB THR A 80 -10.909 0.084 2.275 1.00 0.00 C ATOM 1242 OG1 THR A 80 -11.965 0.772 2.920 1.00 0.00 O ATOM 1243 CG2 THR A 80 -10.311 -0.883 3.274 1.00 0.00 C ATOM 0 H THR A 80 -9.427 2.400 3.262 1.00 0.00 H new ATOM 0 HA THR A 80 -9.242 0.556 0.995 1.00 0.00 H new ATOM 0 HB THR A 80 -11.273 -0.484 1.419 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.626 1.609 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.088 -1.555 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.526 -1.465 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.888 -0.327 4.111 1.00 0.00 H new ATOM 1251 N MET A 81 -10.917 1.909 -0.309 1.00 0.00 N ATOM 1252 CA MET A 81 -11.621 2.865 -1.152 1.00 0.00 C ATOM 1253 C MET A 81 -13.027 3.119 -0.619 1.00 0.00 C ATOM 1254 O MET A 81 -13.631 4.155 -0.895 1.00 0.00 O ATOM 1255 CB MET A 81 -11.686 2.344 -2.589 1.00 0.00 C ATOM 1256 CG MET A 81 -10.491 2.747 -3.437 1.00 0.00 C ATOM 1257 SD MET A 81 -10.964 3.634 -4.935 1.00 0.00 S ATOM 1258 CE MET A 81 -10.531 5.310 -4.477 1.00 0.00 C ATOM 0 H MET A 81 -10.685 1.031 -0.774 1.00 0.00 H new ATOM 0 HA MET A 81 -11.075 3.808 -1.140 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.757 1.256 -2.569 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.597 2.714 -3.060 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.825 3.374 -2.844 1.00 0.00 H new ATOM 0 HG3 MET A 81 -9.928 1.855 -3.711 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.764 5.984 -5.301 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.100 5.605 -3.595 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.465 5.363 -4.255 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.544 2.164 0.154 1.00 0.00 N ATOM 1269 CA ASP A 82 -14.875 2.280 0.731 1.00 0.00 C ATOM 1270 C ASP A 82 -14.901 3.344 1.825 1.00 0.00 C ATOM 1271 O ASP A 82 -13.919 3.529 2.542 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.322 0.933 1.306 1.00 0.00 C ATOM 1273 CG ASP A 82 -15.467 -0.133 0.237 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -15.784 0.225 -0.917 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -15.265 -1.324 0.554 1.00 0.00 O ATOM 0 H ASP A 82 -13.056 1.301 0.393 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.563 2.578 -0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -14.598 0.601 2.051 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.274 1.059 1.821 1.00 0.00 H new ATOM 1280 N PRO A 83 -16.028 4.062 1.968 1.00 0.00 N ATOM 1281 CA PRO A 83 -16.183 5.103 2.969 1.00 0.00 C ATOM 1282 C PRO A 83 -16.772 4.574 4.272 1.00 0.00 C ATOM 1283 O PRO A 83 -17.629 5.212 4.882 1.00 0.00 O ATOM 1284 CB PRO A 83 -17.152 6.078 2.298 1.00 0.00 C ATOM 1285 CG PRO A 83 -17.875 5.293 1.238 1.00 0.00 C ATOM 1286 CD PRO A 83 -17.247 3.922 1.167 1.00 0.00 C ATOM 0 HA PRO A 83 -15.230 5.548 3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.854 6.490 3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.616 6.920 1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.935 5.215 1.478 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -17.802 5.796 0.274 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.908 3.156 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.021 3.637 0.139 1.00 0.00 H new ATOM 1294 N SER A 84 -16.305 3.402 4.696 1.00 0.00 N ATOM 1295 CA SER A 84 -16.787 2.790 5.927 1.00 0.00 C ATOM 1296 C SER A 84 -15.797 1.751 6.446 1.00 0.00 C ATOM 1297 O SER A 84 -16.184 0.657 6.856 1.00 0.00 O ATOM 1298 CB SER A 84 -18.154 2.140 5.698 1.00 0.00 C ATOM 1299 OG SER A 84 -18.817 1.899 6.926 1.00 0.00 O ATOM 0 H SER A 84 -15.595 2.860 4.205 1.00 0.00 H new ATOM 0 HA SER A 84 -16.886 3.575 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.767 2.787 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.028 1.201 5.159 1.00 0.00 H new ATOM 0 HG SER A 84 -18.244 1.355 7.506 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.516 2.101 6.424 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.470 1.200 6.893 1.00 0.00 C ATOM 1307 C VAL A 85 -12.285 1.972 7.456 1.00 0.00 C ATOM 1308 O VAL A 85 -12.060 1.988 8.667 1.00 0.00 O ATOM 1309 CB VAL A 85 -12.968 0.282 5.766 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.079 -0.816 6.328 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -14.136 -0.312 4.998 1.00 0.00 C ATOM 0 H VAL A 85 -14.177 3.002 6.087 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.916 0.592 7.681 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.376 0.881 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.733 -1.456 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.220 -0.368 6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.645 -1.412 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.759 -0.958 4.205 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -14.759 -0.895 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.730 0.491 4.560 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.523 2.605 6.561 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.345 3.382 6.945 1.00 0.00 C ATOM 1323 C ARG A 86 -9.119 2.488 7.124 1.00 0.00 C ATOM 1324 O ARG A 86 -7.988 2.969 7.080 1.00 0.00 O ATOM 1325 CB ARG A 86 -10.605 4.176 8.229 1.00 0.00 C ATOM 1326 CG ARG A 86 -9.691 5.380 8.395 1.00 0.00 C ATOM 1327 CD ARG A 86 -10.408 6.534 9.077 1.00 0.00 C ATOM 1328 NE ARG A 86 -10.230 6.510 10.526 1.00 0.00 N ATOM 1329 CZ ARG A 86 -10.448 7.558 11.317 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -10.852 8.713 10.805 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -10.263 7.450 12.626 1.00 0.00 N ATOM 0 H ARG A 86 -11.704 2.593 5.557 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.143 4.082 6.134 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.641 4.514 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.481 3.515 9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.817 5.096 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.330 5.701 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -10.033 7.478 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -11.471 6.490 8.842 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.920 5.639 10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.997 8.802 9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.017 9.512 11.417 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.954 6.564 13.026 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.430 8.253 13.233 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.338 1.189 7.329 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.234 0.252 7.512 1.00 0.00 C ATOM 1347 C TRP A 87 -8.712 -1.190 7.336 1.00 0.00 C ATOM 1348 O TRP A 87 -9.841 -1.526 7.691 1.00 0.00 O ATOM 1349 CB TRP A 87 -7.582 0.487 8.885 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.228 -0.751 9.649 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.089 -1.661 10.189 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -5.911 -1.200 9.975 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.385 -2.652 10.830 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.045 -2.389 10.712 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -4.628 -0.709 9.714 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -4.944 -3.094 11.190 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -3.537 -1.409 10.188 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -3.701 -2.591 10.920 1.00 0.00 C ATOM 0 H TRP A 87 -10.265 0.765 7.372 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.477 0.426 6.747 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.676 1.076 8.742 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.260 1.087 9.492 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.166 -1.610 10.123 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -7.793 -3.452 11.314 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.493 0.203 9.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.067 -4.006 11.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -2.542 -1.039 9.991 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -2.828 -3.116 11.279 1.00 0.00 H new ATOM 1369 N GLU A 88 -7.850 -2.033 6.776 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.191 -3.434 6.540 1.00 0.00 C ATOM 1371 C GLU A 88 -6.944 -4.286 6.368 1.00 0.00 C ATOM 1372 O GLU A 88 -5.870 -3.783 6.035 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.063 -3.568 5.297 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.534 -3.785 5.602 1.00 0.00 C ATOM 1375 CD GLU A 88 -10.779 -4.963 6.527 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -9.799 -5.640 6.903 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -11.953 -5.209 6.876 1.00 0.00 O ATOM 0 H GLU A 88 -6.910 -1.772 6.477 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.739 -3.787 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.956 -2.669 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.699 -4.402 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.943 -2.882 6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.074 -3.944 4.668 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.104 -5.581 6.586 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.003 -6.526 6.444 1.00 0.00 C ATOM 1386 C TYR A 89 -5.952 -7.093 5.035 1.00 0.00 C ATOM 1387 O TYR A 89 -6.782 -7.922 4.669 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.142 -7.655 7.458 1.00 0.00 C ATOM 1389 CG TYR A 89 -5.804 -7.227 8.859 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.554 -6.252 9.495 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -4.734 -7.787 9.540 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.251 -5.846 10.773 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.420 -7.389 10.822 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.182 -6.416 11.437 1.00 0.00 C ATOM 1395 OH TYR A 89 -4.875 -6.014 12.716 1.00 0.00 O ATOM 0 H TYR A 89 -7.989 -6.006 6.863 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.071 -5.992 6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.164 -8.033 7.435 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.491 -8.479 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.390 -5.804 8.979 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.137 -8.547 9.058 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.846 -5.085 11.256 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.584 -7.835 11.341 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.096 -6.514 13.038 1.00 0.00 H new ATOM 1405 N CYS A 90 -4.970 -6.642 4.253 1.00 0.00 N ATOM 1406 CA CYS A 90 -4.796 -7.095 2.871 1.00 0.00 C ATOM 1407 C CYS A 90 -5.311 -8.517 2.673 1.00 0.00 C ATOM 1408 O CYS A 90 -5.125 -9.378 3.532 1.00 0.00 O ATOM 1409 CB CYS A 90 -3.322 -7.018 2.475 1.00 0.00 C ATOM 1410 SG CYS A 90 -2.942 -5.706 1.272 1.00 0.00 S ATOM 0 H CYS A 90 -4.277 -5.957 4.556 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.382 -6.435 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -2.724 -6.858 3.372 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.019 -7.978 2.057 1.00 0.00 H new ATOM 1415 N ASN A 91 -5.963 -8.751 1.537 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.511 -10.065 1.225 1.00 0.00 C ATOM 1417 C ASN A 91 -5.409 -11.130 1.247 1.00 0.00 C ATOM 1418 O ASN A 91 -4.872 -11.520 0.212 1.00 0.00 O ATOM 1419 CB ASN A 91 -7.226 -10.027 -0.128 1.00 0.00 C ATOM 1420 CG ASN A 91 -6.270 -9.854 -1.291 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -5.893 -10.824 -1.949 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.871 -8.617 -1.548 1.00 0.00 N ATOM 0 H ASN A 91 -6.124 -8.046 0.818 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.242 -10.334 1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -7.791 -10.950 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.946 -9.209 -0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.226 -8.439 -2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.209 -7.843 -0.976 1.00 0.00 H new ATOM 1429 N LEU A 92 -5.079 -11.571 2.455 1.00 0.00 N ATOM 1430 CA LEU A 92 -4.043 -12.558 2.695 1.00 0.00 C ATOM 1431 C LEU A 92 -4.389 -13.355 3.956 1.00 0.00 C ATOM 1432 O LEU A 92 -4.646 -12.775 5.010 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.704 -11.841 2.878 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.718 -11.971 1.713 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -2.240 -11.243 0.483 1.00 0.00 C ATOM 1436 CD2 LEU A 92 -0.355 -11.429 2.111 1.00 0.00 C ATOM 0 H LEU A 92 -5.534 -11.245 3.308 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.973 -13.242 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.900 -10.782 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.227 -12.226 3.779 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.615 -13.028 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.525 -11.348 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.196 -11.673 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.374 -10.186 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.335 -11.528 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.447 -10.377 2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.026 -11.992 2.963 1.00 0.00 H new ATOM 1448 N THR A 93 -4.409 -14.674 3.843 1.00 0.00 N ATOM 1449 CA THR A 93 -4.743 -15.537 4.975 1.00 0.00 C ATOM 1450 C THR A 93 -3.791 -16.723 5.073 1.00 0.00 C ATOM 1451 O THR A 93 -3.133 -17.090 4.105 1.00 0.00 O ATOM 1452 CB THR A 93 -6.180 -16.045 4.862 1.00 0.00 C ATOM 1453 OG1 THR A 93 -6.387 -16.739 3.646 1.00 0.00 O ATOM 1454 CG2 THR A 93 -7.213 -14.945 4.954 1.00 0.00 C ATOM 0 H THR A 93 -4.198 -15.175 2.980 1.00 0.00 H new ATOM 0 HA THR A 93 -4.642 -14.937 5.879 1.00 0.00 H new ATOM 0 HB THR A 93 -6.310 -16.714 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.907 -16.178 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 93 -8.211 -15.375 4.866 1.00 0.00 H new ATOM 0 HG22 THR A 93 -7.119 -14.437 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.054 -14.229 4.148 1.00 0.00 H new ATOM 1462 N ARG A 94 -3.722 -17.322 6.251 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.844 -18.461 6.468 1.00 0.00 C ATOM 1464 C ARG A 94 -3.240 -19.633 5.575 1.00 0.00 C ATOM 1465 O ARG A 94 -4.314 -20.215 5.731 1.00 0.00 O ATOM 1466 CB ARG A 94 -2.892 -18.878 7.935 1.00 0.00 C ATOM 1467 CG ARG A 94 -1.914 -18.115 8.812 1.00 0.00 C ATOM 1468 CD ARG A 94 -1.783 -18.751 10.186 1.00 0.00 C ATOM 1469 NE ARG A 94 -1.296 -20.125 10.110 1.00 0.00 N ATOM 1470 CZ ARG A 94 -1.191 -20.934 11.161 1.00 0.00 C ATOM 1471 NH1 ARG A 94 -1.536 -20.509 12.370 1.00 0.00 N ATOM 1472 NH2 ARG A 94 -0.740 -22.171 11.005 1.00 0.00 N ATOM 0 H ARG A 94 -4.261 -17.040 7.069 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.827 -18.167 6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.903 -18.728 8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.679 -19.944 8.009 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.937 -18.086 8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.248 -17.083 8.918 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.101 -18.158 10.796 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.752 -18.737 10.685 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.020 -20.486 9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.883 -19.558 12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.454 -21.133 13.173 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.473 -22.503 10.078 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.660 -22.790 11.812 1.00 0.00 H new ATOM 1486 N CYS A 95 -2.360 -19.971 4.634 1.00 0.00 N ATOM 1487 CA CYS A 95 -2.610 -21.071 3.710 1.00 0.00 C ATOM 1488 C CYS A 95 -2.283 -22.414 4.362 1.00 0.00 C ATOM 1489 O CYS A 95 -1.365 -22.509 5.176 1.00 0.00 O ATOM 1490 CB CYS A 95 -1.779 -20.888 2.437 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.765 -20.856 0.904 1.00 0.00 S ATOM 0 H CYS A 95 -1.468 -19.497 4.493 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.668 -21.065 3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.216 -19.958 2.514 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -1.051 -21.697 2.372 1.00 0.00 H new ATOM 1496 N PRO A 96 -3.034 -23.473 4.010 1.00 0.00 N ATOM 1497 CA PRO A 96 -2.814 -24.812 4.567 1.00 0.00 C ATOM 1498 C PRO A 96 -1.506 -25.433 4.085 1.00 0.00 C ATOM 1499 O PRO A 96 -1.374 -25.796 2.917 1.00 0.00 O ATOM 1500 CB PRO A 96 -4.010 -25.615 4.047 1.00 0.00 C ATOM 1501 CG PRO A 96 -4.432 -24.906 2.806 1.00 0.00 C ATOM 1502 CD PRO A 96 -4.149 -23.450 3.045 1.00 0.00 C ATOM 0 HA PRO A 96 -2.737 -24.793 5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.732 -26.648 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.816 -25.644 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.881 -25.274 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.490 -25.070 2.604 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.872 -22.938 2.123 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.019 -22.932 3.449 1.00 0.00 H new ATOM 1510 N VAL A 97 -0.545 -25.550 4.994 1.00 0.00 N ATOM 1511 CA VAL A 97 0.753 -26.125 4.663 1.00 0.00 C ATOM 1512 C VAL A 97 0.639 -27.621 4.389 1.00 0.00 C ATOM 1513 O VAL A 97 -0.346 -28.256 4.764 1.00 0.00 O ATOM 1514 CB VAL A 97 1.774 -25.898 5.794 1.00 0.00 C ATOM 1515 CG1 VAL A 97 2.113 -24.422 5.922 1.00 0.00 C ATOM 1516 CG2 VAL A 97 1.243 -26.447 7.110 1.00 0.00 C ATOM 0 H VAL A 97 -0.640 -25.254 5.966 1.00 0.00 H new ATOM 0 HA VAL A 97 1.101 -25.619 3.763 1.00 0.00 H new ATOM 0 HB VAL A 97 2.689 -26.435 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.836 -24.283 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.540 -24.064 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.207 -23.859 6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.977 -26.278 7.898 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.313 -25.940 7.367 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.058 -27.517 7.010 1.00 0.00 H new ATOM 1526 N THR A 98 1.653 -28.176 3.735 1.00 0.00 N ATOM 1527 CA THR A 98 1.668 -29.598 3.411 1.00 0.00 C ATOM 1528 C THR A 98 2.714 -30.335 4.240 1.00 0.00 C ATOM 1529 O THR A 98 2.552 -31.513 4.560 1.00 0.00 O ATOM 1530 CB THR A 98 1.946 -29.800 1.921 1.00 0.00 C ATOM 1531 OG1 THR A 98 0.995 -29.104 1.135 1.00 0.00 O ATOM 1532 CG2 THR A 98 1.915 -31.252 1.498 1.00 0.00 C ATOM 0 H THR A 98 2.476 -27.663 3.419 1.00 0.00 H new ATOM 0 HA THR A 98 0.687 -30.009 3.650 1.00 0.00 H new ATOM 0 HB THR A 98 2.952 -29.413 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.191 -29.244 0.185 1.00 0.00 H new ATOM 0 HG21 THR A 98 2.120 -31.324 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.672 -31.808 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 98 0.931 -31.671 1.708 1.00 0.00 H new ATOM 1540 N GLU A 99 3.791 -29.634 4.584 1.00 0.00 N ATOM 1541 CA GLU A 99 4.866 -30.223 5.376 1.00 0.00 C ATOM 1542 C GLU A 99 5.513 -31.389 4.634 1.00 0.00 C ATOM 1543 O GLU A 99 5.846 -32.411 5.234 1.00 0.00 O ATOM 1544 CB GLU A 99 4.331 -30.697 6.729 1.00 0.00 C ATOM 1545 CG GLU A 99 5.418 -30.930 7.765 1.00 0.00 C ATOM 1546 CD GLU A 99 5.513 -29.802 8.774 1.00 0.00 C ATOM 1547 OE1 GLU A 99 4.604 -29.683 9.620 1.00 0.00 O ATOM 1548 OE2 GLU A 99 6.500 -29.039 8.718 1.00 0.00 O ATOM 0 H GLU A 99 3.942 -28.659 4.327 1.00 0.00 H new ATOM 0 HA GLU A 99 5.623 -29.457 5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.628 -29.957 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.773 -31.622 6.586 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.221 -31.865 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.378 -31.043 7.260 1.00 0.00 H new ATOM 1555 N SER A 100 5.687 -31.227 3.327 1.00 0.00 N ATOM 1556 CA SER A 100 6.296 -32.265 2.503 1.00 0.00 C ATOM 1557 C SER A 100 7.297 -31.664 1.522 1.00 0.00 C ATOM 1558 O SER A 100 7.418 -32.120 0.385 1.00 0.00 O ATOM 1559 CB SER A 100 5.217 -33.036 1.741 1.00 0.00 C ATOM 1560 OG SER A 100 4.488 -32.179 0.880 1.00 0.00 O ATOM 0 H SER A 100 5.415 -30.387 2.815 1.00 0.00 H new ATOM 0 HA SER A 100 6.829 -32.952 3.161 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.679 -33.834 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.537 -33.510 2.448 1.00 0.00 H new ATOM 0 HG SER A 100 3.838 -32.705 0.368 1.00 0.00 H new ATOM 1566 N SER A 101 8.014 -30.638 1.971 1.00 0.00 N ATOM 1567 CA SER A 101 9.005 -29.974 1.132 1.00 0.00 C ATOM 1568 C SER A 101 10.414 -30.440 1.484 1.00 0.00 C ATOM 1569 O SER A 101 11.000 -29.990 2.467 1.00 0.00 O ATOM 1570 CB SER A 101 8.903 -28.456 1.290 1.00 0.00 C ATOM 1571 OG SER A 101 8.918 -28.084 2.657 1.00 0.00 O ATOM 0 H SER A 101 7.927 -30.249 2.910 1.00 0.00 H new ATOM 0 HA SER A 101 8.802 -30.238 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.732 -27.976 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.985 -28.099 0.823 1.00 0.00 H new ATOM 0 HG SER A 101 9.611 -28.593 3.127 1.00 0.00 H new ATOM 1577 N VAL A 102 10.954 -31.344 0.672 1.00 0.00 N ATOM 1578 CA VAL A 102 12.293 -31.871 0.896 1.00 0.00 C ATOM 1579 C VAL A 102 12.394 -32.556 2.255 1.00 0.00 C ATOM 1580 O VAL A 102 12.265 -33.796 2.303 1.00 0.00 O ATOM 1581 CB VAL A 102 13.356 -30.759 0.815 1.00 0.00 C ATOM 1582 CG1 VAL A 102 14.756 -31.352 0.852 1.00 0.00 C ATOM 1583 CG2 VAL A 102 13.156 -29.920 -0.439 1.00 0.00 C ATOM 1584 OXT VAL A 102 12.602 -31.844 3.261 1.00 0.00 O ATOM 0 H VAL A 102 10.483 -31.726 -0.148 1.00 0.00 H new ATOM 0 HA VAL A 102 12.481 -32.601 0.109 1.00 0.00 H new ATOM 0 HB VAL A 102 13.241 -30.108 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 102 15.492 -30.550 0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 102 14.893 -31.904 1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 102 14.887 -32.028 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 102 13.916 -29.139 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 102 13.242 -30.556 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.167 -29.463 -0.417 1.00 0.00 H new TER 1594 VAL A 102