USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1400 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 43 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 53 LYS NZ :NH3+ -174:sc= -0.827 (180deg=-1.16) USER MOD Set 2.1: A 53 LYS NZ :NH3+ -167:sc= 0.271 (180deg=-0.215) USER MOD Set 2.2: B 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= 0.907 (180deg=0.0319!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.022 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0782 X(o=-0.078,f=0) USER MOD Single : A 15 MET CE :methyl -144:sc= -4.66! (180deg=-8.05!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -130:sc= -0.366 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.00822! (180deg=-0.751!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.025 (180deg=-0.286) USER MOD Single : A 48 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.39) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 71:sc= 0.948 USER MOD Single : A 67 CYS SG : rot -53:sc= 0.49! USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.8!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -29:sc= 0.856 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.741 USER MOD Single : A 85 CYS SG : rot 80:sc= 0.27 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -113:sc= 0.937 (180deg=-0.068!) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 SER OG : rot 180:sc= -0.0302 USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : B 15 MET CE :methyl -153:sc= -4.75! (180deg=-8.45!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot -130:sc= -0.373 USER MOD Single : B 32 LYS NZ :NH3+ -158:sc= -0.0349! (180deg=-0.85!) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ -163:sc=-0.000648 (180deg=-0.293) USER MOD Single : B 48 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.34) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 83:sc= 0.813 USER MOD Single : B 67 CYS SG : rot -48:sc= 0.761! USER MOD Single : B 70 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -0.396 K(o=-0.4,f=-3.1!) USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 77 CYS SG : rot -34:sc= 0.852 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.765 USER MOD Single : B 85 CYS SG : rot 81:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 113.370 -6.571 8.470 1.00 0.00 N ATOM 2 CA MET A 1 113.365 -8.038 8.733 1.00 0.00 C ATOM 3 C MET A 1 114.756 -8.478 9.194 1.00 0.00 C ATOM 4 O MET A 1 115.562 -7.678 9.628 1.00 0.00 O ATOM 5 CB MET A 1 112.992 -8.784 7.448 1.00 0.00 C ATOM 6 CG MET A 1 111.580 -8.384 7.010 1.00 0.00 C ATOM 7 SD MET A 1 111.647 -6.773 6.178 1.00 0.00 S ATOM 8 CE MET A 1 110.576 -7.172 4.774 1.00 0.00 C ATOM 0 H1 MET A 1 112.541 -6.319 7.895 1.00 0.00 H new ATOM 0 H2 MET A 1 113.335 -6.056 9.373 1.00 0.00 H new ATOM 0 H3 MET A 1 114.238 -6.313 7.958 1.00 0.00 H new ATOM 0 HA MET A 1 112.636 -8.266 9.511 1.00 0.00 H new ATOM 0 HB2 MET A 1 113.708 -8.550 6.660 1.00 0.00 H new ATOM 0 HB3 MET A 1 113.041 -9.860 7.614 1.00 0.00 H new ATOM 0 HG2 MET A 1 111.168 -9.137 6.338 1.00 0.00 H new ATOM 0 HG3 MET A 1 110.919 -8.333 7.875 1.00 0.00 H new ATOM 0 HE1 MET A 1 110.484 -6.299 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 111.009 -7.998 4.210 1.00 0.00 H new ATOM 0 HE3 MET A 1 109.590 -7.459 5.139 1.00 0.00 H new ATOM 20 N THR A 2 115.042 -9.749 9.105 1.00 0.00 N ATOM 21 CA THR A 2 116.377 -10.250 9.539 1.00 0.00 C ATOM 22 C THR A 2 117.406 -9.986 8.442 1.00 0.00 C ATOM 23 O THR A 2 117.064 -9.680 7.317 1.00 0.00 O ATOM 24 CB THR A 2 116.295 -11.754 9.801 1.00 0.00 C ATOM 25 OG1 THR A 2 116.113 -12.437 8.569 1.00 0.00 O ATOM 26 CG2 THR A 2 115.117 -12.049 10.729 1.00 0.00 C ATOM 0 H THR A 2 114.407 -10.463 8.749 1.00 0.00 H new ATOM 0 HA THR A 2 116.677 -9.734 10.451 1.00 0.00 H new ATOM 0 HB THR A 2 117.218 -12.092 10.272 1.00 0.00 H new ATOM 0 HG1 THR A 2 116.062 -13.402 8.734 1.00 0.00 H new ATOM 0 HG21 THR A 2 115.060 -13.122 10.915 1.00 0.00 H new ATOM 0 HG22 THR A 2 115.258 -11.524 11.674 1.00 0.00 H new ATOM 0 HG23 THR A 2 114.192 -11.712 10.261 1.00 0.00 H new ATOM 34 N THR A 3 118.667 -10.107 8.758 1.00 0.00 N ATOM 35 CA THR A 3 119.719 -9.867 7.731 1.00 0.00 C ATOM 36 C THR A 3 119.705 -11.007 6.714 1.00 0.00 C ATOM 37 O THR A 3 119.359 -12.129 7.029 1.00 0.00 O ATOM 38 CB THR A 3 121.093 -9.805 8.404 1.00 0.00 C ATOM 39 OG1 THR A 3 121.279 -10.965 9.202 1.00 0.00 O ATOM 40 CG2 THR A 3 121.178 -8.553 9.281 1.00 0.00 C ATOM 0 H THR A 3 119.013 -10.362 9.683 1.00 0.00 H new ATOM 0 HA THR A 3 119.521 -8.922 7.226 1.00 0.00 H new ATOM 0 HB THR A 3 121.872 -9.762 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 3 122.159 -10.928 9.632 1.00 0.00 H new ATOM 0 HG21 THR A 3 122.156 -8.510 9.760 1.00 0.00 H new ATOM 0 HG22 THR A 3 121.037 -7.666 8.664 1.00 0.00 H new ATOM 0 HG23 THR A 3 120.402 -8.591 10.045 1.00 0.00 H new ATOM 48 N SER A 4 120.084 -10.732 5.499 1.00 0.00 N ATOM 49 CA SER A 4 120.098 -11.800 4.464 1.00 0.00 C ATOM 50 C SER A 4 121.350 -12.658 4.645 1.00 0.00 C ATOM 51 O SER A 4 122.296 -12.277 5.305 1.00 0.00 O ATOM 52 CB SER A 4 120.120 -11.162 3.074 1.00 0.00 C ATOM 53 OG SER A 4 121.348 -10.468 2.899 1.00 0.00 O ATOM 0 H SER A 4 120.385 -9.812 5.178 1.00 0.00 H new ATOM 0 HA SER A 4 119.207 -12.420 4.566 1.00 0.00 H new ATOM 0 HB2 SER A 4 120.009 -11.928 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 4 119.281 -10.475 2.962 1.00 0.00 H new ATOM 0 HG SER A 4 121.368 -10.058 2.009 1.00 0.00 H new ATOM 59 N GLN A 5 121.348 -13.823 4.062 1.00 0.00 N ATOM 60 CA GLN A 5 122.517 -14.739 4.181 1.00 0.00 C ATOM 61 C GLN A 5 123.763 -14.064 3.606 1.00 0.00 C ATOM 62 O GLN A 5 124.879 -14.425 3.926 1.00 0.00 O ATOM 63 CB GLN A 5 122.222 -16.026 3.409 1.00 0.00 C ATOM 64 CG GLN A 5 123.306 -17.062 3.705 1.00 0.00 C ATOM 65 CD GLN A 5 123.009 -18.348 2.932 1.00 0.00 C ATOM 66 OE1 GLN A 5 122.202 -18.353 2.022 1.00 0.00 O ATOM 67 NE2 GLN A 5 123.632 -19.447 3.256 1.00 0.00 N ATOM 0 H GLN A 5 120.577 -14.185 3.501 1.00 0.00 H new ATOM 0 HA GLN A 5 122.695 -14.974 5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 121.245 -16.416 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 5 122.184 -15.820 2.339 1.00 0.00 H new ATOM 0 HG2 GLN A 5 124.283 -16.672 3.421 1.00 0.00 H new ATOM 0 HG3 GLN A 5 123.344 -17.269 4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 5 124.309 -19.444 4.019 1.00 0.00 H new ATOM 0 HE22 GLN A 5 123.442 -20.310 2.746 1.00 0.00 H new ATOM 76 N LYS A 6 123.588 -13.092 2.750 1.00 0.00 N ATOM 77 CA LYS A 6 124.763 -12.401 2.147 1.00 0.00 C ATOM 78 C LYS A 6 125.608 -11.754 3.251 1.00 0.00 C ATOM 79 O LYS A 6 126.820 -11.713 3.170 1.00 0.00 O ATOM 80 CB LYS A 6 124.274 -11.307 1.192 1.00 0.00 C ATOM 81 CG LYS A 6 123.624 -11.939 -0.040 1.00 0.00 C ATOM 82 CD LYS A 6 123.144 -10.829 -0.979 1.00 0.00 C ATOM 83 CE LYS A 6 122.491 -11.443 -2.218 1.00 0.00 C ATOM 84 NZ LYS A 6 122.001 -10.354 -3.111 1.00 0.00 N ATOM 0 H LYS A 6 122.679 -12.747 2.442 1.00 0.00 H new ATOM 0 HA LYS A 6 125.366 -13.129 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 6 123.557 -10.662 1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 6 125.110 -10.677 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 6 124.338 -12.583 -0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 6 122.785 -12.568 0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 6 122.431 -10.186 -0.462 1.00 0.00 H new ATOM 0 HD3 LYS A 6 123.985 -10.201 -1.274 1.00 0.00 H new ATOM 0 HE2 LYS A 6 123.209 -12.068 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 6 121.663 -12.088 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 121.557 -10.770 -3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 121.303 -9.775 -2.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 122.801 -9.756 -3.401 1.00 0.00 H new ATOM 98 N HIS A 7 124.979 -11.226 4.267 1.00 0.00 N ATOM 99 CA HIS A 7 125.750 -10.552 5.353 1.00 0.00 C ATOM 100 C HIS A 7 126.723 -11.528 6.017 1.00 0.00 C ATOM 101 O HIS A 7 127.894 -11.237 6.170 1.00 0.00 O ATOM 102 CB HIS A 7 124.773 -10.008 6.400 1.00 0.00 C ATOM 103 CG HIS A 7 125.536 -9.442 7.571 1.00 0.00 C ATOM 104 ND1 HIS A 7 126.008 -8.135 7.595 1.00 0.00 N ATOM 105 CD2 HIS A 7 125.907 -9.995 8.772 1.00 0.00 C ATOM 106 CE1 HIS A 7 126.631 -7.951 8.777 1.00 0.00 C ATOM 107 NE2 HIS A 7 126.595 -9.053 9.526 1.00 0.00 N ATOM 0 H HIS A 7 123.967 -11.232 4.392 1.00 0.00 H new ATOM 0 HA HIS A 7 126.327 -9.735 4.919 1.00 0.00 H new ATOM 0 HB2 HIS A 7 124.145 -9.235 5.957 1.00 0.00 H new ATOM 0 HB3 HIS A 7 124.109 -10.804 6.738 1.00 0.00 H new ATOM 0 HD2 HIS A 7 125.696 -11.008 9.083 1.00 0.00 H new ATOM 0 HE1 HIS A 7 127.100 -7.026 9.079 1.00 0.00 H new ATOM 0 HE2 HIS A 7 126.990 -9.178 10.458 1.00 0.00 H new ATOM 115 N ARG A 8 126.259 -12.686 6.413 1.00 0.00 N ATOM 116 CA ARG A 8 127.164 -13.672 7.063 1.00 0.00 C ATOM 117 C ARG A 8 128.149 -14.222 6.031 1.00 0.00 C ATOM 118 O ARG A 8 129.281 -14.536 6.340 1.00 0.00 O ATOM 119 CB ARG A 8 126.332 -14.834 7.633 1.00 0.00 C ATOM 120 CG ARG A 8 125.503 -14.377 8.845 1.00 0.00 C ATOM 121 CD ARG A 8 126.376 -14.328 10.108 1.00 0.00 C ATOM 122 NE ARG A 8 125.504 -14.138 11.305 1.00 0.00 N ATOM 123 CZ ARG A 8 125.990 -14.316 12.505 1.00 0.00 C ATOM 124 NH1 ARG A 8 127.253 -14.612 12.662 1.00 0.00 N ATOM 125 NH2 ARG A 8 125.215 -14.192 13.548 1.00 0.00 N ATOM 0 H ARG A 8 125.290 -12.989 6.312 1.00 0.00 H new ATOM 0 HA ARG A 8 127.712 -13.181 7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 8 125.669 -15.224 6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 8 126.993 -15.649 7.927 1.00 0.00 H new ATOM 0 HG2 ARG A 8 125.078 -13.392 8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 8 124.668 -15.060 9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 8 126.949 -15.251 10.204 1.00 0.00 H new ATOM 0 HD3 ARG A 8 127.095 -13.512 10.035 1.00 0.00 H new ATOM 0 HE ARG A 8 124.527 -13.869 11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 8 127.860 -14.704 11.848 1.00 0.00 H new ATOM 0 HH12 ARG A 8 127.632 -14.751 13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 8 124.230 -13.956 13.426 1.00 0.00 H new ATOM 0 HH22 ARG A 8 125.594 -14.331 14.485 1.00 0.00 H new ATOM 139 N ASP A 9 127.726 -14.335 4.808 1.00 0.00 N ATOM 140 CA ASP A 9 128.638 -14.859 3.753 1.00 0.00 C ATOM 141 C ASP A 9 129.739 -13.847 3.425 1.00 0.00 C ATOM 142 O ASP A 9 130.876 -14.209 3.205 1.00 0.00 O ATOM 143 CB ASP A 9 127.846 -15.168 2.483 1.00 0.00 C ATOM 144 CG ASP A 9 126.953 -16.385 2.718 1.00 0.00 C ATOM 145 OD1 ASP A 9 127.175 -17.080 3.696 1.00 0.00 O ATOM 146 OD2 ASP A 9 126.068 -16.610 1.908 1.00 0.00 O ATOM 0 H ASP A 9 126.789 -14.088 4.490 1.00 0.00 H new ATOM 0 HA ASP A 9 129.100 -15.770 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 9 127.238 -14.307 2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 9 128.528 -15.360 1.655 1.00 0.00 H new ATOM 151 N PHE A 10 129.415 -12.584 3.372 1.00 0.00 N ATOM 152 CA PHE A 10 130.452 -11.566 3.033 1.00 0.00 C ATOM 153 C PHE A 10 131.465 -11.418 4.176 1.00 0.00 C ATOM 154 O PHE A 10 132.648 -11.278 3.947 1.00 0.00 O ATOM 155 CB PHE A 10 129.755 -10.224 2.792 1.00 0.00 C ATOM 156 CG PHE A 10 130.738 -9.201 2.269 1.00 0.00 C ATOM 157 CD1 PHE A 10 130.938 -9.060 0.889 1.00 0.00 C ATOM 158 CD2 PHE A 10 131.439 -8.383 3.163 1.00 0.00 C ATOM 159 CE1 PHE A 10 131.836 -8.100 0.405 1.00 0.00 C ATOM 160 CE2 PHE A 10 132.339 -7.426 2.679 1.00 0.00 C ATOM 161 CZ PHE A 10 132.537 -7.283 1.301 1.00 0.00 C ATOM 0 H PHE A 10 128.481 -12.213 3.548 1.00 0.00 H new ATOM 0 HA PHE A 10 130.989 -11.885 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 10 128.942 -10.353 2.078 1.00 0.00 H new ATOM 0 HB3 PHE A 10 129.310 -9.867 3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 10 130.399 -9.692 0.198 1.00 0.00 H new ATOM 0 HD2 PHE A 10 131.285 -8.490 4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 10 131.988 -7.990 -0.659 1.00 0.00 H new ATOM 0 HE2 PHE A 10 132.881 -6.797 3.370 1.00 0.00 H new ATOM 0 HZ PHE A 10 133.230 -6.543 0.929 1.00 0.00 H new ATOM 171 N VAL A 11 131.011 -11.428 5.405 1.00 0.00 N ATOM 172 CA VAL A 11 131.955 -11.261 6.553 1.00 0.00 C ATOM 173 C VAL A 11 132.601 -12.601 6.923 1.00 0.00 C ATOM 174 O VAL A 11 133.223 -12.725 7.961 1.00 0.00 O ATOM 175 CB VAL A 11 131.193 -10.709 7.762 1.00 0.00 C ATOM 176 CG1 VAL A 11 130.477 -9.413 7.367 1.00 0.00 C ATOM 177 CG2 VAL A 11 130.167 -11.741 8.237 1.00 0.00 C ATOM 0 H VAL A 11 130.031 -11.544 5.662 1.00 0.00 H new ATOM 0 HA VAL A 11 132.741 -10.565 6.261 1.00 0.00 H new ATOM 0 HB VAL A 11 131.895 -10.502 8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 11 129.935 -9.020 8.227 1.00 0.00 H new ATOM 0 HG12 VAL A 11 131.211 -8.679 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 11 129.775 -9.617 6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 11 129.626 -11.347 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 11 129.464 -11.952 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 11 130.680 -12.660 8.521 1.00 0.00 H new ATOM 187 N ALA A 12 132.451 -13.608 6.092 1.00 0.00 N ATOM 188 CA ALA A 12 133.046 -14.954 6.400 1.00 0.00 C ATOM 189 C ALA A 12 134.053 -15.356 5.318 1.00 0.00 C ATOM 190 O ALA A 12 134.727 -16.360 5.435 1.00 0.00 O ATOM 191 CB ALA A 12 131.929 -15.996 6.458 1.00 0.00 C ATOM 0 H ALA A 12 131.941 -13.557 5.210 1.00 0.00 H new ATOM 0 HA ALA A 12 133.561 -14.900 7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 12 132.355 -16.974 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 12 131.218 -15.724 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 12 131.417 -16.034 5.497 1.00 0.00 H new ATOM 197 N GLU A 13 134.179 -14.579 4.275 1.00 0.00 N ATOM 198 CA GLU A 13 135.165 -14.922 3.205 1.00 0.00 C ATOM 199 C GLU A 13 135.584 -13.638 2.469 1.00 0.00 C ATOM 200 O GLU A 13 134.814 -12.703 2.380 1.00 0.00 O ATOM 201 CB GLU A 13 134.532 -15.908 2.215 1.00 0.00 C ATOM 202 CG GLU A 13 133.069 -15.520 1.961 1.00 0.00 C ATOM 203 CD GLU A 13 132.584 -16.154 0.654 1.00 0.00 C ATOM 204 OE1 GLU A 13 132.942 -17.293 0.403 1.00 0.00 O ATOM 205 OE2 GLU A 13 131.864 -15.489 -0.071 1.00 0.00 O ATOM 0 H GLU A 13 133.645 -13.725 4.117 1.00 0.00 H new ATOM 0 HA GLU A 13 136.044 -15.385 3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 13 135.087 -15.903 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 13 134.586 -16.922 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 13 132.446 -15.853 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 132.975 -14.435 1.907 1.00 0.00 H new ATOM 212 N PRO A 14 136.781 -13.585 1.923 1.00 0.00 N ATOM 213 CA PRO A 14 137.253 -12.386 1.174 1.00 0.00 C ATOM 214 C PRO A 14 136.161 -11.820 0.257 1.00 0.00 C ATOM 215 O PRO A 14 135.213 -12.499 -0.085 1.00 0.00 O ATOM 216 CB PRO A 14 138.430 -12.916 0.349 1.00 0.00 C ATOM 217 CG PRO A 14 138.989 -14.047 1.156 1.00 0.00 C ATOM 218 CD PRO A 14 137.814 -14.642 1.955 1.00 0.00 C ATOM 0 HA PRO A 14 137.526 -11.566 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 14 138.102 -13.256 -0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 14 139.178 -12.140 0.185 1.00 0.00 H new ATOM 0 HG2 PRO A 14 139.438 -14.800 0.508 1.00 0.00 H new ATOM 0 HG3 PRO A 14 139.773 -13.694 1.826 1.00 0.00 H new ATOM 0 HD2 PRO A 14 137.453 -15.566 1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 14 138.108 -14.881 2.977 1.00 0.00 H new ATOM 226 N MET A 15 136.284 -10.581 -0.139 1.00 0.00 N ATOM 227 CA MET A 15 135.251 -9.970 -1.030 1.00 0.00 C ATOM 228 C MET A 15 135.661 -10.142 -2.496 1.00 0.00 C ATOM 229 O MET A 15 134.841 -10.102 -3.391 1.00 0.00 O ATOM 230 CB MET A 15 135.125 -8.482 -0.706 1.00 0.00 C ATOM 231 CG MET A 15 136.519 -7.861 -0.639 1.00 0.00 C ATOM 232 SD MET A 15 136.379 -6.053 -0.618 1.00 0.00 S ATOM 233 CE MET A 15 136.134 -5.843 1.166 1.00 0.00 C ATOM 0 H MET A 15 137.055 -9.964 0.116 1.00 0.00 H new ATOM 0 HA MET A 15 134.293 -10.465 -0.867 1.00 0.00 H new ATOM 0 HB2 MET A 15 134.527 -7.981 -1.468 1.00 0.00 H new ATOM 0 HB3 MET A 15 134.608 -8.347 0.244 1.00 0.00 H new ATOM 0 HG2 MET A 15 137.039 -8.206 0.255 1.00 0.00 H new ATOM 0 HG3 MET A 15 137.112 -8.180 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 15 135.438 -5.023 1.344 1.00 0.00 H new ATOM 0 HE2 MET A 15 135.727 -6.762 1.588 1.00 0.00 H new ATOM 0 HE3 MET A 15 137.089 -5.618 1.640 1.00 0.00 H new ATOM 243 N GLY A 16 136.928 -10.341 -2.742 1.00 0.00 N ATOM 244 CA GLY A 16 137.403 -10.526 -4.145 1.00 0.00 C ATOM 245 C GLY A 16 136.940 -9.357 -5.021 1.00 0.00 C ATOM 246 O GLY A 16 137.003 -8.210 -4.627 1.00 0.00 O ATOM 0 H GLY A 16 137.657 -10.384 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 16 138.491 -10.594 -4.162 1.00 0.00 H new ATOM 0 HA3 GLY A 16 137.019 -11.464 -4.546 1.00 0.00 H new ATOM 250 N GLU A 17 136.495 -9.648 -6.221 1.00 0.00 N ATOM 251 CA GLU A 17 136.044 -8.572 -7.162 1.00 0.00 C ATOM 252 C GLU A 17 134.517 -8.581 -7.283 1.00 0.00 C ATOM 253 O GLU A 17 133.971 -8.262 -8.321 1.00 0.00 O ATOM 254 CB GLU A 17 136.650 -8.827 -8.544 1.00 0.00 C ATOM 255 CG GLU A 17 138.175 -8.736 -8.464 1.00 0.00 C ATOM 256 CD GLU A 17 138.770 -8.982 -9.851 1.00 0.00 C ATOM 257 OE1 GLU A 17 138.644 -8.105 -10.690 1.00 0.00 O ATOM 258 OE2 GLU A 17 139.345 -10.040 -10.051 1.00 0.00 O ATOM 0 H GLU A 17 136.424 -10.595 -6.592 1.00 0.00 H new ATOM 0 HA GLU A 17 136.370 -7.605 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 17 136.353 -9.812 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 17 136.270 -8.097 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 17 138.473 -7.754 -8.097 1.00 0.00 H new ATOM 0 HG3 GLU A 17 138.558 -9.471 -7.756 1.00 0.00 H new ATOM 265 N LYS A 18 133.822 -8.954 -6.245 1.00 0.00 N ATOM 266 CA LYS A 18 132.334 -8.993 -6.323 1.00 0.00 C ATOM 267 C LYS A 18 131.814 -7.582 -6.644 1.00 0.00 C ATOM 268 O LYS A 18 132.420 -6.599 -6.269 1.00 0.00 O ATOM 269 CB LYS A 18 131.778 -9.453 -4.969 1.00 0.00 C ATOM 270 CG LYS A 18 132.164 -10.927 -4.713 1.00 0.00 C ATOM 271 CD LYS A 18 131.090 -11.871 -5.294 1.00 0.00 C ATOM 272 CE LYS A 18 129.983 -12.103 -4.259 1.00 0.00 C ATOM 273 NZ LYS A 18 128.957 -13.024 -4.822 1.00 0.00 N ATOM 0 H LYS A 18 134.218 -9.233 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 18 132.014 -9.684 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 18 132.171 -8.822 -4.172 1.00 0.00 H new ATOM 0 HB3 LYS A 18 130.693 -9.345 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 18 133.131 -11.141 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 18 132.270 -11.101 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 18 130.667 -11.440 -6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 18 131.543 -12.822 -5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 18 130.406 -12.527 -3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 18 129.523 -11.154 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 128.207 -13.180 -4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 128.545 -12.603 -5.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 129.401 -13.933 -5.062 1.00 0.00 H new ATOM 287 N PRO A 19 130.708 -7.476 -7.347 1.00 0.00 N ATOM 288 CA PRO A 19 130.129 -6.152 -7.732 1.00 0.00 C ATOM 289 C PRO A 19 129.675 -5.335 -6.515 1.00 0.00 C ATOM 290 O PRO A 19 129.354 -5.870 -5.471 1.00 0.00 O ATOM 291 CB PRO A 19 128.936 -6.516 -8.638 1.00 0.00 C ATOM 292 CG PRO A 19 128.580 -7.919 -8.264 1.00 0.00 C ATOM 293 CD PRO A 19 129.890 -8.591 -7.854 1.00 0.00 C ATOM 0 HA PRO A 19 130.863 -5.518 -8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 19 128.097 -5.839 -8.476 1.00 0.00 H new ATOM 0 HB3 PRO A 19 129.205 -6.445 -9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 19 127.861 -7.934 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 19 128.119 -8.441 -9.102 1.00 0.00 H new ATOM 0 HD2 PRO A 19 129.729 -9.350 -7.089 1.00 0.00 H new ATOM 0 HD3 PRO A 19 130.368 -9.087 -8.699 1.00 0.00 H new ATOM 301 N VAL A 20 129.666 -4.038 -6.649 1.00 0.00 N ATOM 302 CA VAL A 20 129.258 -3.159 -5.518 1.00 0.00 C ATOM 303 C VAL A 20 127.893 -3.585 -4.968 1.00 0.00 C ATOM 304 O VAL A 20 127.658 -3.559 -3.776 1.00 0.00 O ATOM 305 CB VAL A 20 129.191 -1.709 -6.006 1.00 0.00 C ATOM 306 CG1 VAL A 20 128.245 -1.608 -7.205 1.00 0.00 C ATOM 307 CG2 VAL A 20 128.676 -0.814 -4.877 1.00 0.00 C ATOM 0 H VAL A 20 129.927 -3.545 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 20 129.993 -3.246 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 20 130.188 -1.385 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 20 128.201 -0.574 -7.548 1.00 0.00 H new ATOM 0 HG12 VAL A 20 128.611 -2.243 -8.012 1.00 0.00 H new ATOM 0 HG13 VAL A 20 127.248 -1.935 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 20 128.628 0.218 -5.224 1.00 0.00 H new ATOM 0 HG22 VAL A 20 127.681 -1.143 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 20 129.352 -0.879 -4.024 1.00 0.00 H new ATOM 317 N GLY A 21 126.981 -3.959 -5.832 1.00 0.00 N ATOM 318 CA GLY A 21 125.622 -4.367 -5.373 1.00 0.00 C ATOM 319 C GLY A 21 125.707 -5.613 -4.490 1.00 0.00 C ATOM 320 O GLY A 21 124.713 -6.074 -3.965 1.00 0.00 O ATOM 0 H GLY A 21 127.123 -3.998 -6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 21 125.159 -3.551 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 21 124.985 -4.567 -6.235 1.00 0.00 H new ATOM 324 N SER A 22 126.875 -6.169 -4.314 1.00 0.00 N ATOM 325 CA SER A 22 126.997 -7.382 -3.455 1.00 0.00 C ATOM 326 C SER A 22 127.058 -6.957 -1.989 1.00 0.00 C ATOM 327 O SER A 22 126.730 -7.713 -1.097 1.00 0.00 O ATOM 328 CB SER A 22 128.280 -8.132 -3.813 1.00 0.00 C ATOM 329 OG SER A 22 128.235 -8.521 -5.180 1.00 0.00 O ATOM 0 H SER A 22 127.747 -5.837 -4.726 1.00 0.00 H new ATOM 0 HA SER A 22 126.136 -8.031 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 22 129.148 -7.497 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 22 128.390 -9.010 -3.177 1.00 0.00 H new ATOM 0 HG SER A 22 128.456 -9.473 -5.257 1.00 0.00 H new ATOM 335 N LEU A 23 127.484 -5.750 -1.732 1.00 0.00 N ATOM 336 CA LEU A 23 127.577 -5.277 -0.325 1.00 0.00 C ATOM 337 C LEU A 23 126.179 -5.227 0.297 1.00 0.00 C ATOM 338 O LEU A 23 125.211 -4.845 -0.332 1.00 0.00 O ATOM 339 CB LEU A 23 128.218 -3.887 -0.300 1.00 0.00 C ATOM 340 CG LEU A 23 129.666 -3.980 -0.811 1.00 0.00 C ATOM 341 CD1 LEU A 23 130.221 -2.568 -1.021 1.00 0.00 C ATOM 342 CD2 LEU A 23 130.550 -4.740 0.202 1.00 0.00 C ATOM 0 H LEU A 23 127.771 -5.072 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 23 128.193 -5.965 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 127.645 -3.200 -0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 23 128.204 -3.487 0.714 1.00 0.00 H new ATOM 0 HG LEU A 23 129.673 -4.524 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 23 131.247 -2.631 -1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 23 129.609 -2.042 -1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 23 130.202 -2.025 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 23 131.571 -4.796 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 23 130.545 -4.213 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 23 130.159 -5.748 0.342 1.00 0.00 H new ATOM 354 N ALA A 24 126.083 -5.625 1.530 1.00 0.00 N ATOM 355 CA ALA A 24 124.761 -5.626 2.221 1.00 0.00 C ATOM 356 C ALA A 24 124.223 -4.197 2.349 1.00 0.00 C ATOM 357 O ALA A 24 124.940 -3.273 2.679 1.00 0.00 O ATOM 358 CB ALA A 24 124.921 -6.231 3.618 1.00 0.00 C ATOM 0 H ALA A 24 126.866 -5.952 2.096 1.00 0.00 H new ATOM 0 HA ALA A 24 124.058 -6.218 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 24 123.957 -6.233 4.126 1.00 0.00 H new ATOM 0 HB2 ALA A 24 125.288 -7.254 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 24 125.632 -5.637 4.192 1.00 0.00 H new ATOM 364 N GLY A 25 122.950 -4.025 2.099 1.00 0.00 N ATOM 365 CA GLY A 25 122.323 -2.670 2.211 1.00 0.00 C ATOM 366 C GLY A 25 122.201 -2.027 0.825 1.00 0.00 C ATOM 367 O GLY A 25 121.401 -1.136 0.619 1.00 0.00 O ATOM 0 H GLY A 25 122.312 -4.770 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 25 121.337 -2.754 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 25 122.924 -2.036 2.863 1.00 0.00 H new ATOM 371 N ILE A 26 122.977 -2.473 -0.130 1.00 0.00 N ATOM 372 CA ILE A 26 122.896 -1.884 -1.504 1.00 0.00 C ATOM 373 C ILE A 26 122.028 -2.792 -2.373 1.00 0.00 C ATOM 374 O ILE A 26 122.335 -3.953 -2.561 1.00 0.00 O ATOM 375 CB ILE A 26 124.299 -1.796 -2.107 1.00 0.00 C ATOM 376 CG1 ILE A 26 125.238 -1.052 -1.145 1.00 0.00 C ATOM 377 CG2 ILE A 26 124.235 -1.050 -3.440 1.00 0.00 C ATOM 378 CD1 ILE A 26 124.632 0.296 -0.737 1.00 0.00 C ATOM 0 H ILE A 26 123.663 -3.219 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 26 122.463 -0.885 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 26 124.682 -2.803 -2.270 1.00 0.00 H new ATOM 0 HG12 ILE A 26 125.416 -1.660 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 26 126.205 -0.893 -1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 26 125.235 -0.987 -3.870 1.00 0.00 H new ATOM 0 HG22 ILE A 26 123.578 -1.585 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 26 123.847 -0.045 -3.276 1.00 0.00 H new ATOM 0 HD11 ILE A 26 125.311 0.809 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 26 124.477 0.909 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 26 123.676 0.130 -0.240 1.00 0.00 H new ATOM 390 N GLY A 27 120.942 -2.290 -2.908 1.00 0.00 N ATOM 391 CA GLY A 27 120.067 -3.144 -3.763 1.00 0.00 C ATOM 392 C GLY A 27 120.491 -3.022 -5.231 1.00 0.00 C ATOM 393 O GLY A 27 121.387 -2.276 -5.572 1.00 0.00 O ATOM 0 H GLY A 27 120.626 -1.328 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 27 120.133 -4.183 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 27 119.026 -2.841 -3.650 1.00 0.00 H new ATOM 397 N GLU A 28 119.865 -3.774 -6.092 1.00 0.00 N ATOM 398 CA GLU A 28 120.242 -3.729 -7.535 1.00 0.00 C ATOM 399 C GLU A 28 120.060 -2.311 -8.093 1.00 0.00 C ATOM 400 O GLU A 28 120.864 -1.837 -8.870 1.00 0.00 O ATOM 401 CB GLU A 28 119.356 -4.700 -8.318 1.00 0.00 C ATOM 402 CG GLU A 28 119.699 -6.138 -7.920 1.00 0.00 C ATOM 403 CD GLU A 28 121.083 -6.506 -8.457 1.00 0.00 C ATOM 404 OE1 GLU A 28 121.206 -6.673 -9.659 1.00 0.00 O ATOM 405 OE2 GLU A 28 121.997 -6.614 -7.656 1.00 0.00 O ATOM 0 H GLU A 28 119.109 -4.418 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 28 121.289 -4.015 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 28 118.305 -4.496 -8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 28 119.505 -4.562 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 28 119.681 -6.239 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 28 118.950 -6.824 -8.317 1.00 0.00 H new ATOM 412 N VAL A 29 119.012 -1.628 -7.712 1.00 0.00 N ATOM 413 CA VAL A 29 118.797 -0.247 -8.239 1.00 0.00 C ATOM 414 C VAL A 29 119.883 0.683 -7.689 1.00 0.00 C ATOM 415 O VAL A 29 120.451 1.485 -8.403 1.00 0.00 O ATOM 416 CB VAL A 29 117.412 0.252 -7.806 1.00 0.00 C ATOM 417 CG1 VAL A 29 117.268 1.747 -8.120 1.00 0.00 C ATOM 418 CG2 VAL A 29 116.335 -0.536 -8.560 1.00 0.00 C ATOM 0 H VAL A 29 118.300 -1.963 -7.063 1.00 0.00 H new ATOM 0 HA VAL A 29 118.851 -0.255 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 29 117.296 0.104 -6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 29 116.282 2.091 -7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 29 118.034 2.307 -7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 29 117.386 1.907 -9.192 1.00 0.00 H new ATOM 0 HG21 VAL A 29 115.348 -0.186 -8.256 1.00 0.00 H new ATOM 0 HG22 VAL A 29 116.459 -0.387 -9.633 1.00 0.00 H new ATOM 0 HG23 VAL A 29 116.431 -1.597 -8.328 1.00 0.00 H new ATOM 428 N LEU A 30 120.165 0.584 -6.422 1.00 0.00 N ATOM 429 CA LEU A 30 121.201 1.460 -5.803 1.00 0.00 C ATOM 430 C LEU A 30 122.577 1.103 -6.362 1.00 0.00 C ATOM 431 O LEU A 30 123.414 1.958 -6.576 1.00 0.00 O ATOM 432 CB LEU A 30 121.190 1.249 -4.288 1.00 0.00 C ATOM 433 CG LEU A 30 119.844 1.712 -3.710 1.00 0.00 C ATOM 434 CD1 LEU A 30 119.710 1.198 -2.275 1.00 0.00 C ATOM 435 CD2 LEU A 30 119.753 3.251 -3.718 1.00 0.00 C ATOM 0 H LEU A 30 119.719 -0.072 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 30 120.985 2.504 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 30 121.353 0.196 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 30 122.006 1.807 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 30 119.037 1.313 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 30 118.756 1.524 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 30 119.754 0.109 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 30 120.524 1.595 -1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 30 118.793 3.561 -3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 120.559 3.666 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 30 119.842 3.615 -4.741 1.00 0.00 H new ATOM 447 N GLY A 31 122.815 -0.152 -6.601 1.00 0.00 N ATOM 448 CA GLY A 31 124.136 -0.557 -7.150 1.00 0.00 C ATOM 449 C GLY A 31 124.343 0.139 -8.494 1.00 0.00 C ATOM 450 O GLY A 31 125.436 0.546 -8.838 1.00 0.00 O ATOM 0 H GLY A 31 122.156 -0.914 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 31 124.932 -0.285 -6.457 1.00 0.00 H new ATOM 0 HA3 GLY A 31 124.178 -1.639 -7.275 1.00 0.00 H new ATOM 454 N LYS A 32 123.293 0.278 -9.254 1.00 0.00 N ATOM 455 CA LYS A 32 123.399 0.948 -10.579 1.00 0.00 C ATOM 456 C LYS A 32 123.801 2.413 -10.398 1.00 0.00 C ATOM 457 O LYS A 32 124.578 2.948 -11.165 1.00 0.00 O ATOM 458 CB LYS A 32 122.049 0.875 -11.293 1.00 0.00 C ATOM 459 CG LYS A 32 122.199 1.384 -12.727 1.00 0.00 C ATOM 460 CD LYS A 32 120.847 1.309 -13.439 1.00 0.00 C ATOM 461 CE LYS A 32 120.999 1.804 -14.878 1.00 0.00 C ATOM 462 NZ LYS A 32 121.271 3.269 -14.876 1.00 0.00 N ATOM 0 H LYS A 32 122.357 -0.047 -9.011 1.00 0.00 H new ATOM 0 HA LYS A 32 124.159 0.442 -11.174 1.00 0.00 H new ATOM 0 HB2 LYS A 32 121.684 -0.152 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 32 121.311 1.474 -10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 122.564 2.411 -12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 32 122.937 0.786 -13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 32 120.478 0.284 -13.433 1.00 0.00 H new ATOM 0 HD3 LYS A 32 120.112 1.916 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 32 121.813 1.273 -15.372 1.00 0.00 H new ATOM 0 HE3 LYS A 32 120.091 1.593 -15.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 121.042 3.666 -15.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 120.685 3.730 -14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 122.276 3.435 -14.666 1.00 0.00 H new ATOM 476 N LYS A 33 123.266 3.081 -9.410 1.00 0.00 N ATOM 477 CA LYS A 33 123.614 4.520 -9.219 1.00 0.00 C ATOM 478 C LYS A 33 125.093 4.655 -8.841 1.00 0.00 C ATOM 479 O LYS A 33 125.815 5.443 -9.419 1.00 0.00 O ATOM 480 CB LYS A 33 122.751 5.105 -8.099 1.00 0.00 C ATOM 481 CG LYS A 33 121.285 5.126 -8.539 1.00 0.00 C ATOM 482 CD LYS A 33 120.425 5.710 -7.417 1.00 0.00 C ATOM 483 CE LYS A 33 118.958 5.733 -7.853 1.00 0.00 C ATOM 484 NZ LYS A 33 118.116 6.254 -6.739 1.00 0.00 N ATOM 0 H LYS A 33 122.608 2.696 -8.732 1.00 0.00 H new ATOM 0 HA LYS A 33 123.430 5.059 -10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 33 122.861 4.510 -7.193 1.00 0.00 H new ATOM 0 HB3 LYS A 33 123.084 6.115 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 33 121.174 5.722 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 33 120.952 4.116 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 33 120.536 5.113 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 33 120.759 6.719 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 33 118.840 6.361 -8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 33 118.634 4.730 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 117.119 6.270 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 118.220 5.638 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 118.420 7.218 -6.496 1.00 0.00 H new ATOM 498 N LEU A 34 125.556 3.888 -7.893 1.00 0.00 N ATOM 499 CA LEU A 34 126.994 3.973 -7.508 1.00 0.00 C ATOM 500 C LEU A 34 127.852 3.608 -8.726 1.00 0.00 C ATOM 501 O LEU A 34 128.890 4.189 -8.972 1.00 0.00 O ATOM 502 CB LEU A 34 127.281 3.011 -6.343 1.00 0.00 C ATOM 503 CG LEU A 34 126.613 3.519 -5.051 1.00 0.00 C ATOM 504 CD1 LEU A 34 126.479 2.364 -4.054 1.00 0.00 C ATOM 505 CD2 LEU A 34 127.467 4.624 -4.403 1.00 0.00 C ATOM 0 H LEU A 34 125.004 3.208 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 34 127.234 4.986 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 34 126.909 2.015 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 34 128.357 2.922 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 34 125.631 3.918 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 34 126.006 2.725 -3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 34 125.868 1.575 -4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 34 127.468 1.969 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 34 126.981 4.972 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 34 128.452 4.227 -4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 34 127.573 5.457 -5.098 1.00 0.00 H new ATOM 517 N GLU A 35 127.412 2.645 -9.483 1.00 0.00 N ATOM 518 CA GLU A 35 128.196 2.236 -10.687 1.00 0.00 C ATOM 519 C GLU A 35 128.335 3.428 -11.640 1.00 0.00 C ATOM 520 O GLU A 35 129.380 3.652 -12.220 1.00 0.00 O ATOM 521 CB GLU A 35 127.484 1.077 -11.392 1.00 0.00 C ATOM 522 CG GLU A 35 128.282 0.649 -12.628 1.00 0.00 C ATOM 523 CD GLU A 35 127.600 -0.555 -13.281 1.00 0.00 C ATOM 524 OE1 GLU A 35 126.694 -1.099 -12.671 1.00 0.00 O ATOM 525 OE2 GLU A 35 127.999 -0.915 -14.375 1.00 0.00 O ATOM 0 H GLU A 35 126.549 2.124 -9.325 1.00 0.00 H new ATOM 0 HA GLU A 35 129.190 1.910 -10.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 127.377 0.235 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 35 126.479 1.380 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 35 128.345 1.474 -13.337 1.00 0.00 H new ATOM 0 HG3 GLU A 35 129.303 0.393 -12.345 1.00 0.00 H new ATOM 532 N GLU A 36 127.296 4.202 -11.798 1.00 0.00 N ATOM 533 CA GLU A 36 127.372 5.386 -12.703 1.00 0.00 C ATOM 534 C GLU A 36 128.308 6.426 -12.080 1.00 0.00 C ATOM 535 O GLU A 36 128.788 7.326 -12.740 1.00 0.00 O ATOM 536 CB GLU A 36 125.977 5.993 -12.883 1.00 0.00 C ATOM 537 CG GLU A 36 125.110 5.045 -13.716 1.00 0.00 C ATOM 538 CD GLU A 36 123.718 5.651 -13.896 1.00 0.00 C ATOM 539 OE1 GLU A 36 123.450 6.663 -13.268 1.00 0.00 O ATOM 540 OE2 GLU A 36 122.947 5.100 -14.663 1.00 0.00 O ATOM 0 H GLU A 36 126.396 4.066 -11.339 1.00 0.00 H new ATOM 0 HA GLU A 36 127.753 5.080 -13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 36 125.515 6.165 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 36 126.052 6.962 -13.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 125.572 4.873 -14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 36 125.035 4.076 -13.223 1.00 0.00 H new ATOM 547 N ARG A 37 128.542 6.316 -10.801 1.00 0.00 N ATOM 548 CA ARG A 37 129.420 7.308 -10.107 1.00 0.00 C ATOM 549 C ARG A 37 130.885 6.848 -10.151 1.00 0.00 C ATOM 550 O ARG A 37 131.763 7.532 -9.664 1.00 0.00 O ATOM 551 CB ARG A 37 128.969 7.451 -8.646 1.00 0.00 C ATOM 552 CG ARG A 37 127.611 8.168 -8.566 1.00 0.00 C ATOM 553 CD ARG A 37 127.787 9.687 -8.704 1.00 0.00 C ATOM 554 NE ARG A 37 126.486 10.356 -8.418 1.00 0.00 N ATOM 555 CZ ARG A 37 126.444 11.640 -8.181 1.00 0.00 C ATOM 556 NH1 ARG A 37 127.544 12.343 -8.187 1.00 0.00 N ATOM 557 NH2 ARG A 37 125.300 12.221 -7.938 1.00 0.00 N ATOM 0 H ARG A 37 128.163 5.581 -10.203 1.00 0.00 H new ATOM 0 HA ARG A 37 129.339 8.269 -10.614 1.00 0.00 H new ATOM 0 HB2 ARG A 37 128.894 6.466 -8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 37 129.716 8.011 -8.083 1.00 0.00 H new ATOM 0 HG2 ARG A 37 126.954 7.801 -9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 37 127.129 7.938 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 37 128.552 10.041 -8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 37 128.125 9.937 -9.710 1.00 0.00 H new ATOM 0 HE ARG A 37 125.625 9.809 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 37 128.438 11.890 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 37 127.510 13.345 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 37 124.440 11.672 -7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 37 125.266 13.223 -7.753 1.00 0.00 H new ATOM 571 N GLY A 38 131.166 5.719 -10.765 1.00 0.00 N ATOM 572 CA GLY A 38 132.592 5.252 -10.879 1.00 0.00 C ATOM 573 C GLY A 38 132.894 4.100 -9.917 1.00 0.00 C ATOM 574 O GLY A 38 134.017 3.643 -9.836 1.00 0.00 O ATOM 0 H GLY A 38 130.474 5.102 -11.191 1.00 0.00 H new ATOM 0 HA2 GLY A 38 132.788 4.932 -11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 38 133.264 6.084 -10.671 1.00 0.00 H new ATOM 578 N PHE A 39 131.917 3.613 -9.196 1.00 0.00 N ATOM 579 CA PHE A 39 132.170 2.475 -8.251 1.00 0.00 C ATOM 580 C PHE A 39 131.609 1.187 -8.859 1.00 0.00 C ATOM 581 O PHE A 39 130.554 0.717 -8.481 1.00 0.00 O ATOM 582 CB PHE A 39 131.463 2.749 -6.927 1.00 0.00 C ATOM 583 CG PHE A 39 132.035 3.993 -6.294 1.00 0.00 C ATOM 584 CD1 PHE A 39 133.134 3.902 -5.433 1.00 0.00 C ATOM 585 CD2 PHE A 39 131.469 5.238 -6.576 1.00 0.00 C ATOM 586 CE1 PHE A 39 133.667 5.060 -4.853 1.00 0.00 C ATOM 587 CE2 PHE A 39 131.998 6.397 -5.997 1.00 0.00 C ATOM 588 CZ PHE A 39 133.098 6.308 -5.135 1.00 0.00 C ATOM 0 H PHE A 39 130.955 3.951 -9.218 1.00 0.00 H new ATOM 0 HA PHE A 39 133.242 2.371 -8.080 1.00 0.00 H new ATOM 0 HB2 PHE A 39 130.393 2.873 -7.094 1.00 0.00 H new ATOM 0 HB3 PHE A 39 131.585 1.899 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE A 39 133.571 2.939 -5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 39 130.622 5.307 -7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 39 134.516 4.991 -4.189 1.00 0.00 H new ATOM 0 HE2 PHE A 39 131.558 7.359 -6.215 1.00 0.00 H new ATOM 0 HZ PHE A 39 133.507 7.202 -4.688 1.00 0.00 H new ATOM 598 N ASP A 40 132.298 0.626 -9.816 1.00 0.00 N ATOM 599 CA ASP A 40 131.785 -0.616 -10.463 1.00 0.00 C ATOM 600 C ASP A 40 132.107 -1.848 -9.611 1.00 0.00 C ATOM 601 O ASP A 40 131.622 -2.928 -9.886 1.00 0.00 O ATOM 602 CB ASP A 40 132.426 -0.770 -11.844 1.00 0.00 C ATOM 603 CG ASP A 40 133.941 -0.916 -11.694 1.00 0.00 C ATOM 604 OD1 ASP A 40 134.451 -0.547 -10.648 1.00 0.00 O ATOM 605 OD2 ASP A 40 134.567 -1.393 -12.626 1.00 0.00 O ATOM 0 H ASP A 40 133.188 0.971 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 40 130.702 -0.536 -10.560 1.00 0.00 H new ATOM 0 HB2 ASP A 40 132.015 -1.643 -12.351 1.00 0.00 H new ATOM 0 HB3 ASP A 40 132.194 0.097 -12.462 1.00 0.00 H new ATOM 610 N LYS A 41 132.925 -1.715 -8.588 1.00 0.00 N ATOM 611 CA LYS A 41 133.265 -2.910 -7.742 1.00 0.00 C ATOM 612 C LYS A 41 133.266 -2.539 -6.255 1.00 0.00 C ATOM 613 O LYS A 41 133.356 -1.387 -5.883 1.00 0.00 O ATOM 614 CB LYS A 41 134.627 -3.461 -8.155 1.00 0.00 C ATOM 615 CG LYS A 41 134.528 -3.970 -9.596 1.00 0.00 C ATOM 616 CD LYS A 41 135.869 -4.550 -10.036 1.00 0.00 C ATOM 617 CE LYS A 41 135.754 -5.053 -11.475 1.00 0.00 C ATOM 618 NZ LYS A 41 134.894 -6.267 -11.505 1.00 0.00 N ATOM 0 H LYS A 41 133.367 -0.841 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 41 132.507 -3.678 -7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 41 135.389 -2.685 -8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 41 134.927 -4.269 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 41 133.751 -4.731 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 41 134.239 -3.155 -10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 41 136.648 -3.790 -9.965 1.00 0.00 H new ATOM 0 HD3 LYS A 41 136.159 -5.367 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 41 135.329 -4.276 -12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 41 136.743 -5.284 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 135.027 -6.765 -12.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 135.156 -6.897 -10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 133.897 -5.989 -11.407 1.00 0.00 H new ATOM 632 N ALA A 42 133.119 -3.526 -5.410 1.00 0.00 N ATOM 633 CA ALA A 42 133.060 -3.283 -3.936 1.00 0.00 C ATOM 634 C ALA A 42 134.377 -2.725 -3.371 1.00 0.00 C ATOM 635 O ALA A 42 134.361 -1.844 -2.535 1.00 0.00 O ATOM 636 CB ALA A 42 132.743 -4.600 -3.230 1.00 0.00 C ATOM 0 H ALA A 42 133.036 -4.505 -5.682 1.00 0.00 H new ATOM 0 HA ALA A 42 132.285 -2.537 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 42 132.698 -4.434 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 42 131.782 -4.978 -3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 42 133.523 -5.329 -3.452 1.00 0.00 H new ATOM 642 N TYR A 43 135.510 -3.246 -3.762 1.00 0.00 N ATOM 643 CA TYR A 43 136.783 -2.740 -3.163 1.00 0.00 C ATOM 644 C TYR A 43 136.965 -1.242 -3.432 1.00 0.00 C ATOM 645 O TYR A 43 137.696 -0.572 -2.730 1.00 0.00 O ATOM 646 CB TYR A 43 137.999 -3.544 -3.657 1.00 0.00 C ATOM 647 CG TYR A 43 138.267 -3.313 -5.128 1.00 0.00 C ATOM 648 CD1 TYR A 43 138.854 -2.117 -5.558 1.00 0.00 C ATOM 649 CD2 TYR A 43 137.955 -4.310 -6.061 1.00 0.00 C ATOM 650 CE1 TYR A 43 139.123 -1.917 -6.915 1.00 0.00 C ATOM 651 CE2 TYR A 43 138.224 -4.109 -7.419 1.00 0.00 C ATOM 652 CZ TYR A 43 138.809 -2.913 -7.846 1.00 0.00 C ATOM 653 OH TYR A 43 139.077 -2.715 -9.187 1.00 0.00 O ATOM 0 H TYR A 43 135.611 -3.986 -4.457 1.00 0.00 H new ATOM 0 HA TYR A 43 136.714 -2.880 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 43 138.879 -3.263 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 43 137.828 -4.606 -3.481 1.00 0.00 H new ATOM 0 HD1 TYR A 43 139.099 -1.348 -4.840 1.00 0.00 H new ATOM 0 HD2 TYR A 43 137.506 -5.235 -5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 43 139.574 -0.993 -7.245 1.00 0.00 H new ATOM 0 HE2 TYR A 43 137.980 -4.877 -8.137 1.00 0.00 H new ATOM 0 HH TYR A 43 138.798 -3.505 -9.696 1.00 0.00 H new ATOM 663 N VAL A 44 136.293 -0.690 -4.407 1.00 0.00 N ATOM 664 CA VAL A 44 136.435 0.778 -4.649 1.00 0.00 C ATOM 665 C VAL A 44 135.585 1.503 -3.601 1.00 0.00 C ATOM 666 O VAL A 44 135.924 2.564 -3.108 1.00 0.00 O ATOM 667 CB VAL A 44 135.931 1.142 -6.052 1.00 0.00 C ATOM 668 CG1 VAL A 44 136.197 2.625 -6.333 1.00 0.00 C ATOM 669 CG2 VAL A 44 136.658 0.298 -7.099 1.00 0.00 C ATOM 0 H VAL A 44 135.661 -1.182 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 44 137.483 1.069 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 44 134.860 0.947 -6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 44 135.837 2.877 -7.331 1.00 0.00 H new ATOM 0 HG12 VAL A 44 135.676 3.234 -5.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 137.268 2.820 -6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 44 136.296 0.561 -8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 44 137.729 0.489 -7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 44 136.467 -0.759 -6.911 1.00 0.00 H new ATOM 679 N VAL A 45 134.478 0.900 -3.259 1.00 0.00 N ATOM 680 CA VAL A 45 133.565 1.495 -2.243 1.00 0.00 C ATOM 681 C VAL A 45 134.168 1.254 -0.864 1.00 0.00 C ATOM 682 O VAL A 45 134.107 2.096 0.010 1.00 0.00 O ATOM 683 CB VAL A 45 132.192 0.828 -2.329 1.00 0.00 C ATOM 684 CG1 VAL A 45 131.285 1.375 -1.224 1.00 0.00 C ATOM 685 CG2 VAL A 45 131.569 1.119 -3.695 1.00 0.00 C ATOM 0 H VAL A 45 134.165 0.010 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 45 133.446 2.564 -2.422 1.00 0.00 H new ATOM 0 HB VAL A 45 132.304 -0.249 -2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 45 130.307 0.898 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 45 131.729 1.165 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 45 131.172 2.452 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 45 130.590 0.644 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 45 131.458 2.196 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 45 132.214 0.725 -4.480 1.00 0.00 H new ATOM 695 N LEU A 46 134.786 0.122 -0.675 1.00 0.00 N ATOM 696 CA LEU A 46 135.434 -0.164 0.630 1.00 0.00 C ATOM 697 C LEU A 46 136.490 0.917 0.850 1.00 0.00 C ATOM 698 O LEU A 46 136.703 1.390 1.949 1.00 0.00 O ATOM 699 CB LEU A 46 136.114 -1.540 0.569 1.00 0.00 C ATOM 700 CG LEU A 46 136.788 -1.883 1.914 1.00 0.00 C ATOM 701 CD1 LEU A 46 135.724 -2.249 2.965 1.00 0.00 C ATOM 702 CD2 LEU A 46 137.777 -3.055 1.720 1.00 0.00 C ATOM 0 H LEU A 46 134.869 -0.618 -1.372 1.00 0.00 H new ATOM 0 HA LEU A 46 134.704 -0.169 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 46 135.376 -2.304 0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 46 136.858 -1.547 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 46 137.338 -1.011 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 46 136.213 -2.489 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 46 135.050 -1.405 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 46 135.155 -3.113 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 46 138.250 -3.293 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 46 137.238 -3.929 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 46 138.541 -2.770 0.997 1.00 0.00 H new ATOM 714 N GLY A 47 137.157 1.298 -0.206 1.00 0.00 N ATOM 715 CA GLY A 47 138.213 2.339 -0.101 1.00 0.00 C ATOM 716 C GLY A 47 137.617 3.629 0.463 1.00 0.00 C ATOM 717 O GLY A 47 138.213 4.281 1.297 1.00 0.00 O ATOM 0 H GLY A 47 137.012 0.927 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 47 139.019 1.988 0.544 1.00 0.00 H new ATOM 0 HA3 GLY A 47 138.649 2.528 -1.082 1.00 0.00 H new ATOM 721 N GLN A 48 136.445 4.007 0.024 1.00 0.00 N ATOM 722 CA GLN A 48 135.826 5.256 0.556 1.00 0.00 C ATOM 723 C GLN A 48 135.640 5.113 2.072 1.00 0.00 C ATOM 724 O GLN A 48 135.889 6.030 2.829 1.00 0.00 O ATOM 725 CB GLN A 48 134.465 5.475 -0.117 1.00 0.00 C ATOM 726 CG GLN A 48 133.868 6.817 0.326 1.00 0.00 C ATOM 727 CD GLN A 48 134.750 7.964 -0.173 1.00 0.00 C ATOM 728 OE1 GLN A 48 135.086 8.024 -1.338 1.00 0.00 O ATOM 729 NE2 GLN A 48 135.140 8.884 0.667 1.00 0.00 N ATOM 0 H GLN A 48 135.893 3.509 -0.675 1.00 0.00 H new ATOM 0 HA GLN A 48 136.470 6.110 0.347 1.00 0.00 H new ATOM 0 HB2 GLN A 48 134.580 5.459 -1.201 1.00 0.00 H new ATOM 0 HB3 GLN A 48 133.787 4.663 0.144 1.00 0.00 H new ATOM 0 HG2 GLN A 48 132.858 6.924 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 48 133.791 6.851 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 48 134.858 8.834 1.646 1.00 0.00 H new ATOM 0 HE22 GLN A 48 135.727 9.653 0.344 1.00 0.00 H new ATOM 738 N PHE A 49 135.209 3.962 2.516 1.00 0.00 N ATOM 739 CA PHE A 49 135.012 3.740 3.979 1.00 0.00 C ATOM 740 C PHE A 49 136.356 3.927 4.695 1.00 0.00 C ATOM 741 O PHE A 49 136.436 4.497 5.765 1.00 0.00 O ATOM 742 CB PHE A 49 134.493 2.315 4.189 1.00 0.00 C ATOM 743 CG PHE A 49 134.269 2.050 5.660 1.00 0.00 C ATOM 744 CD1 PHE A 49 133.228 2.699 6.333 1.00 0.00 C ATOM 745 CD2 PHE A 49 135.087 1.142 6.346 1.00 0.00 C ATOM 746 CE1 PHE A 49 133.003 2.445 7.690 1.00 0.00 C ATOM 747 CE2 PHE A 49 134.865 0.890 7.703 1.00 0.00 C ATOM 748 CZ PHE A 49 133.822 1.540 8.376 1.00 0.00 C ATOM 0 H PHE A 49 134.984 3.162 1.925 1.00 0.00 H new ATOM 0 HA PHE A 49 134.292 4.451 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 49 133.561 2.176 3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 49 135.209 1.597 3.788 1.00 0.00 H new ATOM 0 HD1 PHE A 49 132.597 3.397 5.804 1.00 0.00 H new ATOM 0 HD2 PHE A 49 135.888 0.637 5.827 1.00 0.00 H new ATOM 0 HE1 PHE A 49 132.199 2.946 8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 49 135.498 0.194 8.233 1.00 0.00 H new ATOM 0 HZ PHE A 49 133.650 1.343 9.424 1.00 0.00 H new ATOM 758 N LEU A 50 137.403 3.447 4.101 1.00 0.00 N ATOM 759 CA LEU A 50 138.746 3.593 4.737 1.00 0.00 C ATOM 760 C LEU A 50 139.140 5.073 4.723 1.00 0.00 C ATOM 761 O LEU A 50 139.727 5.580 5.659 1.00 0.00 O ATOM 762 CB LEU A 50 139.781 2.768 3.965 1.00 0.00 C ATOM 763 CG LEU A 50 139.401 1.277 3.990 1.00 0.00 C ATOM 764 CD1 LEU A 50 140.433 0.484 3.183 1.00 0.00 C ATOM 765 CD2 LEU A 50 139.372 0.757 5.440 1.00 0.00 C ATOM 0 H LEU A 50 137.395 2.960 3.205 1.00 0.00 H new ATOM 0 HA LEU A 50 138.710 3.232 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 50 139.840 3.118 2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 50 140.768 2.906 4.406 1.00 0.00 H new ATOM 0 HG LEU A 50 138.410 1.152 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 50 140.170 -0.574 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 50 140.444 0.843 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 50 141.421 0.618 3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 50 139.102 -0.299 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 50 140.357 0.881 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 50 138.637 1.321 6.014 1.00 0.00 H new ATOM 777 N VAL A 51 138.828 5.763 3.665 1.00 0.00 N ATOM 778 CA VAL A 51 139.181 7.210 3.572 1.00 0.00 C ATOM 779 C VAL A 51 138.376 8.025 4.597 1.00 0.00 C ATOM 780 O VAL A 51 138.819 9.053 5.069 1.00 0.00 O ATOM 781 CB VAL A 51 138.882 7.715 2.155 1.00 0.00 C ATOM 782 CG1 VAL A 51 139.008 9.241 2.104 1.00 0.00 C ATOM 783 CG2 VAL A 51 139.882 7.093 1.180 1.00 0.00 C ATOM 0 H VAL A 51 138.340 5.386 2.853 1.00 0.00 H new ATOM 0 HA VAL A 51 140.242 7.332 3.788 1.00 0.00 H new ATOM 0 HB VAL A 51 137.866 7.431 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 51 138.794 9.590 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 51 138.299 9.688 2.800 1.00 0.00 H new ATOM 0 HG13 VAL A 51 140.021 9.532 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 51 139.675 7.448 0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 51 140.894 7.380 1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 51 139.791 6.007 1.209 1.00 0.00 H new ATOM 793 N LEU A 52 137.191 7.587 4.929 1.00 0.00 N ATOM 794 CA LEU A 52 136.354 8.358 5.902 1.00 0.00 C ATOM 795 C LEU A 52 136.719 7.973 7.336 1.00 0.00 C ATOM 796 O LEU A 52 136.025 8.326 8.270 1.00 0.00 O ATOM 797 CB LEU A 52 134.875 8.047 5.664 1.00 0.00 C ATOM 798 CG LEU A 52 134.444 8.546 4.278 1.00 0.00 C ATOM 799 CD1 LEU A 52 133.046 8.005 3.974 1.00 0.00 C ATOM 800 CD2 LEU A 52 134.420 10.087 4.241 1.00 0.00 C ATOM 0 H LEU A 52 136.765 6.732 4.572 1.00 0.00 H new ATOM 0 HA LEU A 52 136.539 9.422 5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 52 134.705 6.973 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 52 134.268 8.522 6.434 1.00 0.00 H new ATOM 0 HG LEU A 52 135.156 8.194 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 52 132.727 8.352 2.991 1.00 0.00 H new ATOM 0 HD12 LEU A 52 133.067 6.915 3.984 1.00 0.00 H new ATOM 0 HD13 LEU A 52 132.346 8.361 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 52 134.112 10.422 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 52 133.715 10.458 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 52 135.416 10.472 4.461 1.00 0.00 H new ATOM 812 N LYS A 53 137.800 7.277 7.535 1.00 0.00 N ATOM 813 CA LYS A 53 138.193 6.908 8.923 1.00 0.00 C ATOM 814 C LYS A 53 136.987 6.325 9.674 1.00 0.00 C ATOM 815 O LYS A 53 136.801 6.574 10.847 1.00 0.00 O ATOM 816 CB LYS A 53 138.689 8.164 9.643 1.00 0.00 C ATOM 817 CG LYS A 53 139.970 8.664 8.969 1.00 0.00 C ATOM 818 CD LYS A 53 140.469 9.920 9.686 1.00 0.00 C ATOM 819 CE LYS A 53 141.746 10.421 9.014 1.00 0.00 C ATOM 820 NZ LYS A 53 142.825 9.410 9.190 1.00 0.00 N ATOM 0 H LYS A 53 138.427 6.948 6.801 1.00 0.00 H new ATOM 0 HA LYS A 53 138.983 6.158 8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 53 137.923 8.939 9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 53 138.880 7.943 10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 53 140.735 7.888 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 53 139.779 8.884 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 53 139.703 10.695 9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 53 140.661 9.699 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 53 141.567 10.598 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 53 142.050 11.373 9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 143.741 9.832 8.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 142.852 9.100 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 142.637 8.592 8.576 1.00 0.00 H new ATOM 834 N LYS A 54 136.174 5.546 9.001 1.00 0.00 N ATOM 835 CA LYS A 54 134.980 4.916 9.649 1.00 0.00 C ATOM 836 C LYS A 54 134.028 5.989 10.197 1.00 0.00 C ATOM 837 O LYS A 54 133.199 5.706 11.038 1.00 0.00 O ATOM 838 CB LYS A 54 135.428 4.002 10.796 1.00 0.00 C ATOM 839 CG LYS A 54 136.440 2.981 10.272 1.00 0.00 C ATOM 840 CD LYS A 54 136.796 1.995 11.386 1.00 0.00 C ATOM 841 CE LYS A 54 137.828 0.989 10.869 1.00 0.00 C ATOM 842 NZ LYS A 54 138.245 0.089 11.982 1.00 0.00 N ATOM 0 H LYS A 54 136.290 5.317 8.014 1.00 0.00 H new ATOM 0 HA LYS A 54 134.454 4.329 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 54 135.874 4.595 11.594 1.00 0.00 H new ATOM 0 HB3 LYS A 54 134.567 3.489 11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 54 136.024 2.446 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 54 137.338 3.490 9.922 1.00 0.00 H new ATOM 0 HD2 LYS A 54 137.195 2.531 12.247 1.00 0.00 H new ATOM 0 HD3 LYS A 54 135.901 1.473 11.723 1.00 0.00 H new ATOM 0 HE2 LYS A 54 137.404 0.404 10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 54 138.695 1.514 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 138.946 -0.595 11.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 138.665 0.655 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 137.415 -0.422 12.345 1.00 0.00 H new ATOM 856 N ASP A 55 134.107 7.206 9.730 1.00 0.00 N ATOM 857 CA ASP A 55 133.162 8.244 10.246 1.00 0.00 C ATOM 858 C ASP A 55 131.745 7.909 9.751 1.00 0.00 C ATOM 859 O ASP A 55 131.436 8.051 8.586 1.00 0.00 O ATOM 860 CB ASP A 55 133.580 9.621 9.725 1.00 0.00 C ATOM 861 CG ASP A 55 134.806 10.108 10.501 1.00 0.00 C ATOM 862 OD1 ASP A 55 134.847 9.891 11.701 1.00 0.00 O ATOM 863 OD2 ASP A 55 135.683 10.689 9.884 1.00 0.00 O ATOM 0 H ASP A 55 134.772 7.525 9.026 1.00 0.00 H new ATOM 0 HA ASP A 55 133.180 8.257 11.336 1.00 0.00 H new ATOM 0 HB2 ASP A 55 133.808 9.565 8.661 1.00 0.00 H new ATOM 0 HB3 ASP A 55 132.759 10.329 9.838 1.00 0.00 H new ATOM 868 N GLU A 56 130.894 7.439 10.628 1.00 0.00 N ATOM 869 CA GLU A 56 129.504 7.062 10.219 1.00 0.00 C ATOM 870 C GLU A 56 128.691 8.276 9.746 1.00 0.00 C ATOM 871 O GLU A 56 127.937 8.191 8.801 1.00 0.00 O ATOM 872 CB GLU A 56 128.785 6.420 11.408 1.00 0.00 C ATOM 873 CG GLU A 56 127.414 5.904 10.962 1.00 0.00 C ATOM 874 CD GLU A 56 126.727 5.192 12.128 1.00 0.00 C ATOM 875 OE1 GLU A 56 127.351 5.065 13.169 1.00 0.00 O ATOM 876 OE2 GLU A 56 125.591 4.783 11.961 1.00 0.00 O ATOM 0 H GLU A 56 131.103 7.299 11.617 1.00 0.00 H new ATOM 0 HA GLU A 56 129.583 6.363 9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 56 129.381 5.599 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 56 128.667 7.148 12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 56 126.798 6.734 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 56 127.528 5.219 10.122 1.00 0.00 H new ATOM 883 N ASP A 57 128.823 9.398 10.397 1.00 0.00 N ATOM 884 CA ASP A 57 128.035 10.598 9.984 1.00 0.00 C ATOM 885 C ASP A 57 128.513 11.091 8.617 1.00 0.00 C ATOM 886 O ASP A 57 127.727 11.469 7.771 1.00 0.00 O ATOM 887 CB ASP A 57 128.228 11.704 11.024 1.00 0.00 C ATOM 888 CG ASP A 57 127.520 11.310 12.321 1.00 0.00 C ATOM 889 OD1 ASP A 57 126.538 10.589 12.243 1.00 0.00 O ATOM 890 OD2 ASP A 57 127.974 11.732 13.372 1.00 0.00 O ATOM 0 H ASP A 57 129.441 9.538 11.196 1.00 0.00 H new ATOM 0 HA ASP A 57 126.980 10.334 9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 57 129.290 11.862 11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 57 127.826 12.645 10.649 1.00 0.00 H new ATOM 895 N LEU A 58 129.786 11.071 8.389 1.00 0.00 N ATOM 896 CA LEU A 58 130.296 11.523 7.065 1.00 0.00 C ATOM 897 C LEU A 58 129.901 10.499 5.999 1.00 0.00 C ATOM 898 O LEU A 58 129.551 10.843 4.888 1.00 0.00 O ATOM 899 CB LEU A 58 131.821 11.667 7.104 1.00 0.00 C ATOM 900 CG LEU A 58 132.230 12.763 8.101 1.00 0.00 C ATOM 901 CD1 LEU A 58 133.760 12.836 8.165 1.00 0.00 C ATOM 902 CD2 LEU A 58 131.666 14.128 7.655 1.00 0.00 C ATOM 0 H LEU A 58 130.497 10.765 9.053 1.00 0.00 H new ATOM 0 HA LEU A 58 129.861 12.493 6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 58 132.275 10.718 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 58 132.195 11.913 6.110 1.00 0.00 H new ATOM 0 HG LEU A 58 131.828 12.522 9.085 1.00 0.00 H new ATOM 0 HD11 LEU A 58 134.058 13.612 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 58 134.157 11.875 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 58 134.155 13.073 7.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 131.963 14.895 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 58 132.058 14.379 6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 58 130.578 14.075 7.610 1.00 0.00 H new ATOM 914 N PHE A 59 129.941 9.241 6.340 1.00 0.00 N ATOM 915 CA PHE A 59 129.551 8.182 5.365 1.00 0.00 C ATOM 916 C PHE A 59 128.059 8.301 5.038 1.00 0.00 C ATOM 917 O PHE A 59 127.647 8.150 3.904 1.00 0.00 O ATOM 918 CB PHE A 59 129.850 6.812 5.976 1.00 0.00 C ATOM 919 CG PHE A 59 129.324 5.714 5.080 1.00 0.00 C ATOM 920 CD1 PHE A 59 130.012 5.376 3.909 1.00 0.00 C ATOM 921 CD2 PHE A 59 128.155 5.024 5.431 1.00 0.00 C ATOM 922 CE1 PHE A 59 129.531 4.347 3.087 1.00 0.00 C ATOM 923 CE2 PHE A 59 127.675 3.997 4.609 1.00 0.00 C ATOM 924 CZ PHE A 59 128.363 3.658 3.437 1.00 0.00 C ATOM 0 H PHE A 59 130.228 8.898 7.257 1.00 0.00 H new ATOM 0 HA PHE A 59 130.119 8.301 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 59 130.925 6.694 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 59 129.391 6.738 6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 59 130.913 5.907 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 59 127.625 5.285 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 59 130.062 4.086 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 59 126.774 3.466 4.879 1.00 0.00 H new ATOM 0 HZ PHE A 59 127.993 2.866 2.803 1.00 0.00 H new ATOM 934 N ARG A 60 127.244 8.549 6.028 1.00 0.00 N ATOM 935 CA ARG A 60 125.776 8.653 5.784 1.00 0.00 C ATOM 936 C ARG A 60 125.465 9.776 4.792 1.00 0.00 C ATOM 937 O ARG A 60 124.740 9.579 3.836 1.00 0.00 O ATOM 938 CB ARG A 60 125.061 8.945 7.109 1.00 0.00 C ATOM 939 CG ARG A 60 124.999 7.677 7.965 1.00 0.00 C ATOM 940 CD ARG A 60 124.517 8.045 9.372 1.00 0.00 C ATOM 941 NE ARG A 60 124.292 6.803 10.185 1.00 0.00 N ATOM 942 CZ ARG A 60 123.407 5.906 9.846 1.00 0.00 C ATOM 943 NH1 ARG A 60 122.596 6.121 8.848 1.00 0.00 N ATOM 944 NH2 ARG A 60 123.305 4.805 10.537 1.00 0.00 N ATOM 0 H ARG A 60 127.532 8.684 6.997 1.00 0.00 H new ATOM 0 HA ARG A 60 125.428 7.709 5.365 1.00 0.00 H new ATOM 0 HB2 ARG A 60 125.587 9.732 7.649 1.00 0.00 H new ATOM 0 HB3 ARG A 60 124.053 9.311 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 60 124.322 6.951 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 60 125.982 7.208 8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 60 125.255 8.681 9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 60 123.593 8.619 9.309 1.00 0.00 H new ATOM 0 HE ARG A 60 124.848 6.656 11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 60 122.651 6.996 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 60 121.907 5.415 8.589 1.00 0.00 H new ATOM 0 HH21 ARG A 60 123.916 4.648 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 60 122.615 4.101 10.276 1.00 0.00 H new ATOM 958 N GLU A 61 125.991 10.952 4.999 1.00 0.00 N ATOM 959 CA GLU A 61 125.700 12.062 4.052 1.00 0.00 C ATOM 960 C GLU A 61 126.271 11.710 2.679 1.00 0.00 C ATOM 961 O GLU A 61 125.673 11.985 1.657 1.00 0.00 O ATOM 962 CB GLU A 61 126.356 13.347 4.560 1.00 0.00 C ATOM 963 CG GLU A 61 125.642 13.815 5.828 1.00 0.00 C ATOM 964 CD GLU A 61 126.345 15.056 6.381 1.00 0.00 C ATOM 965 OE1 GLU A 61 127.274 15.521 5.742 1.00 0.00 O ATOM 966 OE2 GLU A 61 125.945 15.517 7.437 1.00 0.00 O ATOM 0 H GLU A 61 126.605 11.190 5.778 1.00 0.00 H new ATOM 0 HA GLU A 61 124.623 12.209 3.976 1.00 0.00 H new ATOM 0 HB2 GLU A 61 127.412 13.172 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 61 126.306 14.121 3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 61 124.599 14.043 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 61 125.644 13.020 6.574 1.00 0.00 H new ATOM 973 N TRP A 62 127.421 11.105 2.648 1.00 0.00 N ATOM 974 CA TRP A 62 128.031 10.736 1.339 1.00 0.00 C ATOM 975 C TRP A 62 127.143 9.738 0.592 1.00 0.00 C ATOM 976 O TRP A 62 126.879 9.886 -0.582 1.00 0.00 O ATOM 977 CB TRP A 62 129.411 10.101 1.570 1.00 0.00 C ATOM 978 CG TRP A 62 129.920 9.519 0.282 1.00 0.00 C ATOM 979 CD1 TRP A 62 130.563 10.210 -0.687 1.00 0.00 C ATOM 980 CD2 TRP A 62 129.814 8.144 -0.198 1.00 0.00 C ATOM 981 NE1 TRP A 62 130.868 9.346 -1.725 1.00 0.00 N ATOM 982 CE2 TRP A 62 130.427 8.062 -1.471 1.00 0.00 C ATOM 983 CE3 TRP A 62 129.256 6.971 0.346 1.00 0.00 C ATOM 984 CZ2 TRP A 62 130.481 6.860 -2.181 1.00 0.00 C ATOM 985 CZ3 TRP A 62 129.311 5.762 -0.366 1.00 0.00 C ATOM 986 CH2 TRP A 62 129.922 5.707 -1.626 1.00 0.00 C ATOM 0 H TRP A 62 127.967 10.849 3.470 1.00 0.00 H new ATOM 0 HA TRP A 62 128.132 11.641 0.741 1.00 0.00 H new ATOM 0 HB2 TRP A 62 130.109 10.850 1.943 1.00 0.00 H new ATOM 0 HB3 TRP A 62 129.342 9.323 2.330 1.00 0.00 H new ATOM 0 HD1 TRP A 62 130.800 11.263 -0.656 1.00 0.00 H new ATOM 0 HE1 TRP A 62 131.359 9.624 -2.575 1.00 0.00 H new ATOM 0 HE3 TRP A 62 128.783 7.002 1.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 130.952 6.823 -3.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 128.880 4.868 0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 62 129.961 4.773 -2.167 1.00 0.00 H new ATOM 997 N LEU A 63 126.698 8.713 1.258 1.00 0.00 N ATOM 998 CA LEU A 63 125.854 7.697 0.573 1.00 0.00 C ATOM 999 C LEU A 63 124.487 8.290 0.218 1.00 0.00 C ATOM 1000 O LEU A 63 124.017 8.162 -0.894 1.00 0.00 O ATOM 1001 CB LEU A 63 125.673 6.491 1.503 1.00 0.00 C ATOM 1002 CG LEU A 63 124.816 5.413 0.825 1.00 0.00 C ATOM 1003 CD1 LEU A 63 125.505 4.910 -0.455 1.00 0.00 C ATOM 1004 CD2 LEU A 63 124.623 4.249 1.802 1.00 0.00 C ATOM 0 H LEU A 63 126.881 8.534 2.245 1.00 0.00 H new ATOM 0 HA LEU A 63 126.343 7.384 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 63 126.647 6.078 1.766 1.00 0.00 H new ATOM 0 HB3 LEU A 63 125.200 6.809 2.432 1.00 0.00 H new ATOM 0 HG LEU A 63 123.849 5.836 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 63 124.886 4.146 -0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 63 125.642 5.742 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 63 126.476 4.485 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 63 124.015 3.476 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 63 125.595 3.834 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 63 124.122 4.608 2.701 1.00 0.00 H new ATOM 1016 N LYS A 64 123.842 8.933 1.151 1.00 0.00 N ATOM 1017 CA LYS A 64 122.503 9.524 0.858 1.00 0.00 C ATOM 1018 C LYS A 64 122.632 10.547 -0.270 1.00 0.00 C ATOM 1019 O LYS A 64 121.874 10.544 -1.221 1.00 0.00 O ATOM 1020 CB LYS A 64 121.950 10.218 2.102 1.00 0.00 C ATOM 1021 CG LYS A 64 120.519 10.692 1.819 1.00 0.00 C ATOM 1022 CD LYS A 64 119.891 11.249 3.103 1.00 0.00 C ATOM 1023 CE LYS A 64 120.595 12.549 3.513 1.00 0.00 C ATOM 1024 NZ LYS A 64 119.709 13.324 4.428 1.00 0.00 N ATOM 0 H LYS A 64 124.182 9.076 2.102 1.00 0.00 H new ATOM 0 HA LYS A 64 121.823 8.726 0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 64 121.958 9.533 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.580 11.066 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 64 120.527 11.459 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 64 119.920 9.864 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 64 118.829 11.435 2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 64 119.971 10.515 3.904 1.00 0.00 H new ATOM 0 HE2 LYS A 64 121.540 12.324 4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 64 120.832 13.142 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 120.184 14.206 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 118.819 13.550 3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 119.505 12.757 5.276 1.00 0.00 H new ATOM 1038 N ASP A 65 123.593 11.421 -0.164 1.00 0.00 N ATOM 1039 CA ASP A 65 123.794 12.455 -1.217 1.00 0.00 C ATOM 1040 C ASP A 65 124.256 11.780 -2.505 1.00 0.00 C ATOM 1041 O ASP A 65 123.979 12.239 -3.596 1.00 0.00 O ATOM 1042 CB ASP A 65 124.862 13.451 -0.762 1.00 0.00 C ATOM 1043 CG ASP A 65 124.904 14.632 -1.736 1.00 0.00 C ATOM 1044 OD1 ASP A 65 124.757 14.397 -2.924 1.00 0.00 O ATOM 1045 OD2 ASP A 65 125.092 15.746 -1.278 1.00 0.00 O ATOM 0 H ASP A 65 124.253 11.464 0.613 1.00 0.00 H new ATOM 0 HA ASP A 65 122.855 12.981 -1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 65 124.640 13.804 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 125.836 12.964 -0.722 1.00 0.00 H new ATOM 1050 N THR A 66 124.989 10.707 -2.386 1.00 0.00 N ATOM 1051 CA THR A 66 125.507 10.015 -3.596 1.00 0.00 C ATOM 1052 C THR A 66 124.425 9.148 -4.245 1.00 0.00 C ATOM 1053 O THR A 66 124.412 9.001 -5.452 1.00 0.00 O ATOM 1054 CB THR A 66 126.700 9.135 -3.206 1.00 0.00 C ATOM 1055 OG1 THR A 66 127.762 9.961 -2.751 1.00 0.00 O ATOM 1056 CG2 THR A 66 127.170 8.333 -4.420 1.00 0.00 C ATOM 0 H THR A 66 125.252 10.279 -1.498 1.00 0.00 H new ATOM 0 HA THR A 66 125.817 10.771 -4.317 1.00 0.00 H new ATOM 0 HB THR A 66 126.399 8.449 -2.414 1.00 0.00 H new ATOM 0 HG1 THR A 66 127.527 10.346 -1.881 1.00 0.00 H new ATOM 0 HG21 THR A 66 128.018 7.709 -4.138 1.00 0.00 H new ATOM 0 HG22 THR A 66 126.357 7.700 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 66 127.471 9.017 -5.214 1.00 0.00 H new ATOM 1064 N CYS A 67 123.541 8.532 -3.486 1.00 0.00 N ATOM 1065 CA CYS A 67 122.502 7.639 -4.107 1.00 0.00 C ATOM 1066 C CYS A 67 121.098 7.916 -3.558 1.00 0.00 C ATOM 1067 O CYS A 67 120.130 7.896 -4.290 1.00 0.00 O ATOM 1068 CB CYS A 67 122.869 6.181 -3.822 1.00 0.00 C ATOM 1069 SG CYS A 67 122.580 5.813 -2.074 1.00 0.00 S ATOM 0 H CYS A 67 123.494 8.609 -2.470 1.00 0.00 H new ATOM 0 HA CYS A 67 122.486 7.839 -5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 67 122.273 5.516 -4.447 1.00 0.00 H new ATOM 0 HB3 CYS A 67 123.914 6.003 -4.074 1.00 0.00 H new ATOM 0 HG CYS A 67 123.205 6.683 -1.338 1.00 0.00 H new ATOM 1075 N GLY A 68 120.977 8.164 -2.273 1.00 0.00 N ATOM 1076 CA GLY A 68 119.629 8.436 -1.667 1.00 0.00 C ATOM 1077 C GLY A 68 119.259 7.301 -0.708 1.00 0.00 C ATOM 1078 O GLY A 68 118.113 7.146 -0.333 1.00 0.00 O ATOM 0 H GLY A 68 121.756 8.190 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 68 119.644 9.386 -1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 68 118.877 8.523 -2.451 1.00 0.00 H new ATOM 1082 N ALA A 69 120.214 6.507 -0.300 1.00 0.00 N ATOM 1083 CA ALA A 69 119.911 5.388 0.639 1.00 0.00 C ATOM 1084 C ALA A 69 119.149 5.924 1.856 1.00 0.00 C ATOM 1085 O ALA A 69 119.291 7.069 2.233 1.00 0.00 O ATOM 1086 CB ALA A 69 121.223 4.749 1.105 1.00 0.00 C ATOM 0 H ALA A 69 121.192 6.586 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 69 119.299 4.645 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 69 121.005 3.931 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 121.767 4.364 0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 69 121.832 5.497 1.613 1.00 0.00 H new ATOM 1092 N ASN A 70 118.341 5.103 2.475 1.00 0.00 N ATOM 1093 CA ASN A 70 117.566 5.564 3.667 1.00 0.00 C ATOM 1094 C ASN A 70 118.355 5.266 4.947 1.00 0.00 C ATOM 1095 O ASN A 70 119.387 4.624 4.918 1.00 0.00 O ATOM 1096 CB ASN A 70 116.221 4.833 3.710 1.00 0.00 C ATOM 1097 CG ASN A 70 115.406 5.196 2.465 1.00 0.00 C ATOM 1098 OD1 ASN A 70 115.256 6.358 2.142 1.00 0.00 O ATOM 1099 ND2 ASN A 70 114.865 4.248 1.749 1.00 0.00 N ATOM 0 H ASN A 70 118.184 4.132 2.207 1.00 0.00 H new ATOM 0 HA ASN A 70 117.396 6.638 3.595 1.00 0.00 H new ATOM 0 HB2 ASN A 70 116.381 3.756 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 70 115.673 5.109 4.611 1.00 0.00 H new ATOM 0 HD21 ASN A 70 114.318 4.483 0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 70 114.989 3.272 2.018 1.00 0.00 H new ATOM 1106 N ALA A 71 117.883 5.743 6.067 1.00 0.00 N ATOM 1107 CA ALA A 71 118.605 5.514 7.356 1.00 0.00 C ATOM 1108 C ALA A 71 118.733 4.016 7.655 1.00 0.00 C ATOM 1109 O ALA A 71 119.702 3.580 8.243 1.00 0.00 O ATOM 1110 CB ALA A 71 117.835 6.186 8.495 1.00 0.00 C ATOM 0 H ALA A 71 117.023 6.285 6.147 1.00 0.00 H new ATOM 0 HA ALA A 71 119.605 5.940 7.271 1.00 0.00 H new ATOM 0 HB1 ALA A 71 118.359 6.020 9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 71 117.763 7.257 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 71 116.834 5.760 8.558 1.00 0.00 H new ATOM 1116 N LYS A 72 117.774 3.221 7.271 1.00 0.00 N ATOM 1117 CA LYS A 72 117.876 1.760 7.561 1.00 0.00 C ATOM 1118 C LYS A 72 118.971 1.134 6.699 1.00 0.00 C ATOM 1119 O LYS A 72 119.717 0.282 7.142 1.00 0.00 O ATOM 1120 CB LYS A 72 116.534 1.089 7.269 1.00 0.00 C ATOM 1121 CG LYS A 72 115.510 1.530 8.319 1.00 0.00 C ATOM 1122 CD LYS A 72 114.098 1.194 7.836 1.00 0.00 C ATOM 1123 CE LYS A 72 113.977 -0.313 7.603 1.00 0.00 C ATOM 1124 NZ LYS A 72 112.537 -0.684 7.521 1.00 0.00 N ATOM 0 H LYS A 72 116.932 3.513 6.774 1.00 0.00 H new ATOM 0 HA LYS A 72 118.130 1.616 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 72 116.189 1.359 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 72 116.645 0.005 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 72 115.709 1.030 9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 72 115.598 2.601 8.499 1.00 0.00 H new ATOM 0 HD2 LYS A 72 113.364 1.518 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 72 113.881 1.733 6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 72 114.489 -0.593 6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 72 114.459 -0.858 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.451 -1.708 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 112.062 -0.430 8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 112.091 -0.173 6.732 1.00 0.00 H new ATOM 1138 N GLN A 73 119.063 1.539 5.466 1.00 0.00 N ATOM 1139 CA GLN A 73 120.092 0.967 4.560 1.00 0.00 C ATOM 1140 C GLN A 73 121.490 1.356 5.032 1.00 0.00 C ATOM 1141 O GLN A 73 122.415 0.568 4.978 1.00 0.00 O ATOM 1142 CB GLN A 73 119.866 1.498 3.144 1.00 0.00 C ATOM 1143 CG GLN A 73 118.587 0.887 2.568 1.00 0.00 C ATOM 1144 CD GLN A 73 118.239 1.590 1.254 1.00 0.00 C ATOM 1145 OE1 GLN A 73 119.118 1.971 0.507 1.00 0.00 O ATOM 1146 NE2 GLN A 73 116.987 1.779 0.939 1.00 0.00 N ATOM 0 H GLN A 73 118.464 2.248 5.044 1.00 0.00 H new ATOM 0 HA GLN A 73 120.009 -0.120 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 73 119.787 2.585 3.160 1.00 0.00 H new ATOM 0 HB3 GLN A 73 120.718 1.249 2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 73 118.725 -0.181 2.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 117.767 0.993 3.279 1.00 0.00 H new ATOM 0 HE21 GLN A 73 116.249 1.459 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 73 116.746 2.247 0.065 1.00 0.00 H new ATOM 1155 N SER A 74 121.657 2.570 5.482 1.00 0.00 N ATOM 1156 CA SER A 74 122.997 3.018 5.943 1.00 0.00 C ATOM 1157 C SER A 74 123.446 2.208 7.160 1.00 0.00 C ATOM 1158 O SER A 74 124.602 1.853 7.276 1.00 0.00 O ATOM 1159 CB SER A 74 122.929 4.497 6.322 1.00 0.00 C ATOM 1160 OG SER A 74 122.763 5.275 5.144 1.00 0.00 O ATOM 0 H SER A 74 120.919 3.271 5.549 1.00 0.00 H new ATOM 0 HA SER A 74 123.715 2.868 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 74 122.099 4.671 7.007 1.00 0.00 H new ATOM 0 HB3 SER A 74 123.840 4.793 6.842 1.00 0.00 H new ATOM 0 HG SER A 74 122.717 6.224 5.383 1.00 0.00 H new ATOM 1166 N ARG A 75 122.560 1.910 8.078 1.00 0.00 N ATOM 1167 CA ARG A 75 122.976 1.128 9.274 1.00 0.00 C ATOM 1168 C ARG A 75 123.498 -0.236 8.828 1.00 0.00 C ATOM 1169 O ARG A 75 124.438 -0.759 9.394 1.00 0.00 O ATOM 1170 CB ARG A 75 121.789 0.945 10.222 1.00 0.00 C ATOM 1171 CG ARG A 75 121.437 2.290 10.865 1.00 0.00 C ATOM 1172 CD ARG A 75 120.266 2.102 11.832 1.00 0.00 C ATOM 1173 NE ARG A 75 119.765 3.432 12.276 1.00 0.00 N ATOM 1174 CZ ARG A 75 118.591 3.527 12.836 1.00 0.00 C ATOM 1175 NH1 ARG A 75 117.861 2.460 13.003 1.00 0.00 N ATOM 1176 NH2 ARG A 75 118.144 4.688 13.229 1.00 0.00 N ATOM 0 H ARG A 75 121.575 2.174 8.048 1.00 0.00 H new ATOM 0 HA ARG A 75 123.764 1.667 9.800 1.00 0.00 H new ATOM 0 HB2 ARG A 75 120.930 0.555 9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 75 122.035 0.215 10.993 1.00 0.00 H new ATOM 0 HG2 ARG A 75 122.301 2.688 11.397 1.00 0.00 H new ATOM 0 HG3 ARG A 75 121.174 3.016 10.095 1.00 0.00 H new ATOM 0 HD2 ARG A 75 119.466 1.545 11.345 1.00 0.00 H new ATOM 0 HD3 ARG A 75 120.584 1.516 12.694 1.00 0.00 H new ATOM 0 HE ARG A 75 120.338 4.265 12.143 1.00 0.00 H new ATOM 0 HH11 ARG A 75 118.208 1.551 12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 75 116.943 2.534 13.441 1.00 0.00 H new ATOM 0 HH21 ARG A 75 118.713 5.524 13.099 1.00 0.00 H new ATOM 0 HH22 ARG A 75 117.225 4.759 13.667 1.00 0.00 H new ATOM 1190 N ASP A 76 122.889 -0.840 7.843 1.00 0.00 N ATOM 1191 CA ASP A 76 123.330 -2.184 7.389 1.00 0.00 C ATOM 1192 C ASP A 76 124.686 -2.095 6.693 1.00 0.00 C ATOM 1193 O ASP A 76 125.536 -2.944 6.876 1.00 0.00 O ATOM 1194 CB ASP A 76 122.293 -2.740 6.411 1.00 0.00 C ATOM 1195 CG ASP A 76 121.010 -3.083 7.172 1.00 0.00 C ATOM 1196 OD1 ASP A 76 121.085 -3.242 8.378 1.00 0.00 O ATOM 1197 OD2 ASP A 76 119.974 -3.176 6.534 1.00 0.00 O ATOM 0 H ASP A 76 122.097 -0.453 7.330 1.00 0.00 H new ATOM 0 HA ASP A 76 123.425 -2.841 8.254 1.00 0.00 H new ATOM 0 HB2 ASP A 76 122.082 -2.007 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 76 122.684 -3.629 5.916 1.00 0.00 H new ATOM 1202 N CYS A 77 124.910 -1.082 5.903 1.00 0.00 N ATOM 1203 CA CYS A 77 126.225 -0.969 5.218 1.00 0.00 C ATOM 1204 C CYS A 77 127.311 -0.670 6.252 1.00 0.00 C ATOM 1205 O CYS A 77 128.409 -1.185 6.170 1.00 0.00 O ATOM 1206 CB CYS A 77 126.170 0.170 4.196 1.00 0.00 C ATOM 1207 SG CYS A 77 125.098 -0.306 2.818 1.00 0.00 S ATOM 0 H CYS A 77 124.245 -0.334 5.704 1.00 0.00 H new ATOM 0 HA CYS A 77 126.453 -1.905 4.709 1.00 0.00 H new ATOM 0 HB2 CYS A 77 125.793 1.078 4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 77 127.172 0.393 3.830 1.00 0.00 H new ATOM 0 HG CYS A 77 125.127 -1.597 2.672 1.00 0.00 H new ATOM 1213 N PHE A 78 127.031 0.165 7.215 1.00 0.00 N ATOM 1214 CA PHE A 78 128.074 0.490 8.226 1.00 0.00 C ATOM 1215 C PHE A 78 128.510 -0.780 8.956 1.00 0.00 C ATOM 1216 O PHE A 78 129.666 -1.153 8.933 1.00 0.00 O ATOM 1217 CB PHE A 78 127.505 1.500 9.226 1.00 0.00 C ATOM 1218 CG PHE A 78 128.543 1.822 10.272 1.00 0.00 C ATOM 1219 CD1 PHE A 78 129.456 2.860 10.056 1.00 0.00 C ATOM 1220 CD2 PHE A 78 128.583 1.090 11.464 1.00 0.00 C ATOM 1221 CE1 PHE A 78 130.412 3.165 11.033 1.00 0.00 C ATOM 1222 CE2 PHE A 78 129.539 1.394 12.440 1.00 0.00 C ATOM 1223 CZ PHE A 78 130.454 2.431 12.225 1.00 0.00 C ATOM 0 H PHE A 78 126.133 0.632 7.344 1.00 0.00 H new ATOM 0 HA PHE A 78 128.943 0.920 7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 78 127.204 2.410 8.707 1.00 0.00 H new ATOM 0 HB3 PHE A 78 126.612 1.093 9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 78 129.424 3.426 9.137 1.00 0.00 H new ATOM 0 HD2 PHE A 78 127.876 0.291 11.631 1.00 0.00 H new ATOM 0 HE1 PHE A 78 131.117 3.966 10.867 1.00 0.00 H new ATOM 0 HE2 PHE A 78 129.571 0.828 13.359 1.00 0.00 H new ATOM 0 HZ PHE A 78 131.192 2.665 12.978 1.00 0.00 H new ATOM 1233 N GLY A 79 127.597 -1.442 9.612 1.00 0.00 N ATOM 1234 CA GLY A 79 127.958 -2.683 10.355 1.00 0.00 C ATOM 1235 C GLY A 79 128.489 -3.750 9.392 1.00 0.00 C ATOM 1236 O GLY A 79 129.346 -4.536 9.736 1.00 0.00 O ATOM 0 H GLY A 79 126.614 -1.176 9.666 1.00 0.00 H new ATOM 0 HA2 GLY A 79 128.713 -2.456 11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 79 127.085 -3.064 10.884 1.00 0.00 H new ATOM 1240 N CYS A 80 127.994 -3.784 8.190 1.00 0.00 N ATOM 1241 CA CYS A 80 128.487 -4.806 7.223 1.00 0.00 C ATOM 1242 C CYS A 80 129.941 -4.509 6.870 1.00 0.00 C ATOM 1243 O CYS A 80 130.798 -5.368 6.937 1.00 0.00 O ATOM 1244 CB CYS A 80 127.637 -4.760 5.953 1.00 0.00 C ATOM 1245 SG CYS A 80 128.238 -6.002 4.781 1.00 0.00 S ATOM 0 H CYS A 80 127.275 -3.155 7.834 1.00 0.00 H new ATOM 0 HA CYS A 80 128.415 -5.796 7.673 1.00 0.00 H new ATOM 0 HB2 CYS A 80 126.591 -4.949 6.195 1.00 0.00 H new ATOM 0 HB3 CYS A 80 127.686 -3.768 5.505 1.00 0.00 H new ATOM 0 HG CYS A 80 128.209 -5.512 3.577 1.00 0.00 H new ATOM 1251 N LEU A 81 130.227 -3.295 6.510 1.00 0.00 N ATOM 1252 CA LEU A 81 131.632 -2.947 6.175 1.00 0.00 C ATOM 1253 C LEU A 81 132.482 -2.961 7.450 1.00 0.00 C ATOM 1254 O LEU A 81 133.614 -3.404 7.446 1.00 0.00 O ATOM 1255 CB LEU A 81 131.663 -1.556 5.544 1.00 0.00 C ATOM 1256 CG LEU A 81 130.862 -1.569 4.236 1.00 0.00 C ATOM 1257 CD1 LEU A 81 130.766 -0.141 3.691 1.00 0.00 C ATOM 1258 CD2 LEU A 81 131.548 -2.482 3.199 1.00 0.00 C ATOM 0 H LEU A 81 129.555 -2.532 6.433 1.00 0.00 H new ATOM 0 HA LEU A 81 132.037 -3.675 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 81 131.243 -0.823 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 81 132.693 -1.256 5.349 1.00 0.00 H new ATOM 0 HG LEU A 81 129.861 -1.955 4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 81 130.198 -0.144 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 81 130.264 0.494 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 81 131.768 0.245 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 81 130.969 -2.482 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 81 132.553 -2.112 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 81 131.607 -3.497 3.591 1.00 0.00 H new ATOM 1270 N ARG A 82 131.954 -2.469 8.541 1.00 0.00 N ATOM 1271 CA ARG A 82 132.749 -2.448 9.804 1.00 0.00 C ATOM 1272 C ARG A 82 133.066 -3.873 10.257 1.00 0.00 C ATOM 1273 O ARG A 82 134.153 -4.154 10.726 1.00 0.00 O ATOM 1274 CB ARG A 82 131.971 -1.727 10.907 1.00 0.00 C ATOM 1275 CG ARG A 82 132.869 -1.597 12.138 1.00 0.00 C ATOM 1276 CD ARG A 82 132.154 -0.795 13.225 1.00 0.00 C ATOM 1277 NE ARG A 82 133.062 -0.652 14.397 1.00 0.00 N ATOM 1278 CZ ARG A 82 132.784 0.206 15.339 1.00 0.00 C ATOM 1279 NH1 ARG A 82 131.673 0.890 15.293 1.00 0.00 N ATOM 1280 NH2 ARG A 82 133.613 0.372 16.334 1.00 0.00 N ATOM 0 H ARG A 82 131.012 -2.083 8.612 1.00 0.00 H new ATOM 0 HA ARG A 82 133.681 -1.917 9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 82 131.655 -0.742 10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 82 131.067 -2.282 11.156 1.00 0.00 H new ATOM 0 HG2 ARG A 82 133.128 -2.586 12.515 1.00 0.00 H new ATOM 0 HG3 ARG A 82 133.803 -1.105 11.867 1.00 0.00 H new ATOM 0 HD2 ARG A 82 131.872 0.187 12.845 1.00 0.00 H new ATOM 0 HD3 ARG A 82 131.234 -1.298 13.521 1.00 0.00 H new ATOM 0 HE ARG A 82 133.903 -1.226 14.463 1.00 0.00 H new ATOM 0 HH11 ARG A 82 131.022 0.754 14.520 1.00 0.00 H new ATOM 0 HH12 ARG A 82 131.456 1.561 16.030 1.00 0.00 H new ATOM 0 HH21 ARG A 82 134.477 -0.169 16.374 1.00 0.00 H new ATOM 0 HH22 ARG A 82 133.397 1.043 17.071 1.00 0.00 H new ATOM 1294 N GLU A 83 132.135 -4.775 10.134 1.00 0.00 N ATOM 1295 CA GLU A 83 132.393 -6.176 10.571 1.00 0.00 C ATOM 1296 C GLU A 83 133.397 -6.843 9.631 1.00 0.00 C ATOM 1297 O GLU A 83 134.263 -7.573 10.069 1.00 0.00 O ATOM 1298 CB GLU A 83 131.079 -6.965 10.580 1.00 0.00 C ATOM 1299 CG GLU A 83 130.199 -6.487 11.740 1.00 0.00 C ATOM 1300 CD GLU A 83 130.806 -6.941 13.067 1.00 0.00 C ATOM 1301 OE1 GLU A 83 131.536 -7.919 13.060 1.00 0.00 O ATOM 1302 OE2 GLU A 83 130.532 -6.303 14.071 1.00 0.00 O ATOM 0 H GLU A 83 131.206 -4.604 9.750 1.00 0.00 H new ATOM 0 HA GLU A 83 132.810 -6.164 11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 83 130.555 -6.830 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 83 131.284 -8.031 10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 83 130.114 -5.401 11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 83 129.191 -6.888 11.634 1.00 0.00 H new ATOM 1309 N TRP A 84 133.321 -6.589 8.347 1.00 0.00 N ATOM 1310 CA TRP A 84 134.306 -7.202 7.412 1.00 0.00 C ATOM 1311 C TRP A 84 135.709 -6.715 7.787 1.00 0.00 C ATOM 1312 O TRP A 84 136.654 -7.473 7.835 1.00 0.00 O ATOM 1313 CB TRP A 84 133.985 -6.780 5.976 1.00 0.00 C ATOM 1314 CG TRP A 84 134.862 -7.537 5.031 1.00 0.00 C ATOM 1315 CD1 TRP A 84 134.534 -8.713 4.451 1.00 0.00 C ATOM 1316 CD2 TRP A 84 136.198 -7.205 4.552 1.00 0.00 C ATOM 1317 NE1 TRP A 84 135.581 -9.124 3.648 1.00 0.00 N ATOM 1318 CE2 TRP A 84 136.629 -8.230 3.679 1.00 0.00 C ATOM 1319 CE3 TRP A 84 137.068 -6.128 4.789 1.00 0.00 C ATOM 1320 CZ2 TRP A 84 137.880 -8.190 3.063 1.00 0.00 C ATOM 1321 CZ3 TRP A 84 138.329 -6.083 4.172 1.00 0.00 C ATOM 1322 CH2 TRP A 84 138.734 -7.112 3.310 1.00 0.00 C ATOM 0 H TRP A 84 132.623 -5.987 7.911 1.00 0.00 H new ATOM 0 HA TRP A 84 134.257 -8.289 7.483 1.00 0.00 H new ATOM 0 HB2 TRP A 84 132.936 -6.976 5.753 1.00 0.00 H new ATOM 0 HB3 TRP A 84 134.142 -5.708 5.856 1.00 0.00 H new ATOM 0 HD1 TRP A 84 133.605 -9.245 4.592 1.00 0.00 H new ATOM 0 HE1 TRP A 84 135.578 -9.984 3.099 1.00 0.00 H new ATOM 0 HE3 TRP A 84 136.765 -5.329 5.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 138.186 -8.986 2.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 138.991 -5.251 4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 84 139.704 -7.071 2.838 1.00 0.00 H new ATOM 1333 N CYS A 85 135.846 -5.443 8.044 1.00 0.00 N ATOM 1334 CA CYS A 85 137.183 -4.894 8.405 1.00 0.00 C ATOM 1335 C CYS A 85 137.683 -5.584 9.676 1.00 0.00 C ATOM 1336 O CYS A 85 138.848 -5.907 9.806 1.00 0.00 O ATOM 1337 CB CYS A 85 137.062 -3.387 8.644 1.00 0.00 C ATOM 1338 SG CYS A 85 136.738 -2.553 7.070 1.00 0.00 S ATOM 0 H CYS A 85 135.089 -4.760 8.019 1.00 0.00 H new ATOM 0 HA CYS A 85 137.890 -5.074 7.595 1.00 0.00 H new ATOM 0 HB2 CYS A 85 136.256 -3.183 9.349 1.00 0.00 H new ATOM 0 HB3 CYS A 85 137.980 -3.003 9.089 1.00 0.00 H new ATOM 0 HG CYS A 85 135.478 -2.666 6.770 1.00 0.00 H new ATOM 1344 N ASP A 86 136.807 -5.813 10.612 1.00 0.00 N ATOM 1345 CA ASP A 86 137.211 -6.483 11.881 1.00 0.00 C ATOM 1346 C ASP A 86 137.792 -7.871 11.590 1.00 0.00 C ATOM 1347 O ASP A 86 138.643 -8.356 12.308 1.00 0.00 O ATOM 1348 CB ASP A 86 135.991 -6.633 12.792 1.00 0.00 C ATOM 1349 CG ASP A 86 135.584 -5.263 13.336 1.00 0.00 C ATOM 1350 OD1 ASP A 86 136.376 -4.342 13.219 1.00 0.00 O ATOM 1351 OD2 ASP A 86 134.491 -5.160 13.866 1.00 0.00 O ATOM 0 H ASP A 86 135.820 -5.563 10.553 1.00 0.00 H new ATOM 0 HA ASP A 86 137.970 -5.873 12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 86 135.163 -7.076 12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 86 136.221 -7.309 13.616 1.00 0.00 H new ATOM 1356 N ALA A 87 137.325 -8.529 10.561 1.00 0.00 N ATOM 1357 CA ALA A 87 137.843 -9.899 10.256 1.00 0.00 C ATOM 1358 C ALA A 87 139.096 -9.821 9.383 1.00 0.00 C ATOM 1359 O ALA A 87 139.996 -10.627 9.517 1.00 0.00 O ATOM 1360 CB ALA A 87 136.770 -10.697 9.513 1.00 0.00 C ATOM 0 H ALA A 87 136.611 -8.181 9.921 1.00 0.00 H new ATOM 0 HA ALA A 87 138.095 -10.390 11.196 1.00 0.00 H new ATOM 0 HB1 ALA A 87 137.147 -11.695 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 87 135.879 -10.776 10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 87 136.518 -10.189 8.582 1.00 0.00 H new ATOM 1366 N PHE A 88 139.156 -8.882 8.472 1.00 0.00 N ATOM 1367 CA PHE A 88 140.347 -8.782 7.569 1.00 0.00 C ATOM 1368 C PHE A 88 141.226 -7.599 7.979 1.00 0.00 C ATOM 1369 O PHE A 88 142.171 -7.753 8.727 1.00 0.00 O ATOM 1370 CB PHE A 88 139.872 -8.589 6.126 1.00 0.00 C ATOM 1371 CG PHE A 88 139.110 -9.814 5.676 1.00 0.00 C ATOM 1372 CD1 PHE A 88 139.799 -10.918 5.158 1.00 0.00 C ATOM 1373 CD2 PHE A 88 137.713 -9.849 5.773 1.00 0.00 C ATOM 1374 CE1 PHE A 88 139.092 -12.051 4.737 1.00 0.00 C ATOM 1375 CE2 PHE A 88 137.006 -10.980 5.351 1.00 0.00 C ATOM 1376 CZ PHE A 88 137.696 -12.081 4.833 1.00 0.00 C ATOM 0 H PHE A 88 138.433 -8.180 8.313 1.00 0.00 H new ATOM 0 HA PHE A 88 140.931 -9.699 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 88 139.236 -7.707 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 88 140.726 -8.418 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 88 140.876 -10.895 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 88 137.180 -9.000 6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 88 139.624 -12.902 4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 88 135.929 -11.003 5.425 1.00 0.00 H new ATOM 0 HZ PHE A 88 137.151 -12.955 4.507 1.00 0.00 H new ATOM 1386 N LEU A 89 140.930 -6.415 7.503 1.00 0.00 N ATOM 1387 CA LEU A 89 141.755 -5.226 7.875 1.00 0.00 C ATOM 1388 C LEU A 89 141.217 -4.637 9.182 1.00 0.00 C ATOM 1389 O LEU A 89 141.812 -4.895 10.214 1.00 0.00 O ATOM 1390 CB LEU A 89 141.670 -4.176 6.755 1.00 0.00 C ATOM 1391 CG LEU A 89 142.315 -2.852 7.200 1.00 0.00 C ATOM 1392 CD1 LEU A 89 143.758 -3.098 7.656 1.00 0.00 C ATOM 1393 CD2 LEU A 89 142.319 -1.877 6.017 1.00 0.00 C ATOM 1394 OXT LEU A 89 140.218 -3.938 9.126 1.00 0.00 O ATOM 0 H LEU A 89 140.152 -6.221 6.872 1.00 0.00 H new ATOM 0 HA LEU A 89 142.796 -5.521 8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 89 142.172 -4.548 5.862 1.00 0.00 H new ATOM 0 HB3 LEU A 89 140.627 -4.006 6.487 1.00 0.00 H new ATOM 0 HG LEU A 89 141.745 -2.434 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 89 144.206 -2.155 7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 89 143.761 -3.797 8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 89 144.334 -3.517 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 89 142.775 -0.935 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 89 142.891 -2.306 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 89 141.295 -1.696 5.692 1.00 0.00 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 169.559 -0.754 -3.065 1.00 0.00 N ATOM 1408 CA MET B 1 170.067 -1.891 -2.247 1.00 0.00 C ATOM 1409 C MET B 1 168.958 -2.932 -2.078 1.00 0.00 C ATOM 1410 O MET B 1 168.001 -2.962 -2.825 1.00 0.00 O ATOM 1411 CB MET B 1 170.498 -1.378 -0.869 1.00 0.00 C ATOM 1412 CG MET B 1 171.645 -0.375 -1.026 1.00 0.00 C ATOM 1413 SD MET B 1 170.970 1.232 -1.529 1.00 0.00 S ATOM 1414 CE MET B 1 171.931 2.272 -0.401 1.00 0.00 C ATOM 0 H1 MET B 1 170.058 -0.733 -3.977 1.00 0.00 H new ATOM 0 H2 MET B 1 168.539 -0.874 -3.231 1.00 0.00 H new ATOM 0 H3 MET B 1 169.725 0.139 -2.559 1.00 0.00 H new ATOM 0 HA MET B 1 170.921 -2.346 -2.749 1.00 0.00 H new ATOM 0 HB2 MET B 1 169.654 -0.905 -0.367 1.00 0.00 H new ATOM 0 HB3 MET B 1 170.815 -2.212 -0.243 1.00 0.00 H new ATOM 0 HG2 MET B 1 172.188 -0.276 -0.086 1.00 0.00 H new ATOM 0 HG3 MET B 1 172.357 -0.732 -1.770 1.00 0.00 H new ATOM 0 HE1 MET B 1 171.662 3.317 -0.552 1.00 0.00 H new ATOM 0 HE2 MET B 1 171.716 1.987 0.629 1.00 0.00 H new ATOM 0 HE3 MET B 1 172.994 2.139 -0.600 1.00 0.00 H new ATOM 1426 N THR B 2 169.081 -3.788 -1.101 1.00 0.00 N ATOM 1427 CA THR B 2 168.035 -4.828 -0.883 1.00 0.00 C ATOM 1428 C THR B 2 166.849 -4.218 -0.136 1.00 0.00 C ATOM 1429 O THR B 2 166.936 -3.135 0.408 1.00 0.00 O ATOM 1430 CB THR B 2 168.621 -5.969 -0.051 1.00 0.00 C ATOM 1431 OG1 THR B 2 168.859 -5.509 1.272 1.00 0.00 O ATOM 1432 CG2 THR B 2 169.937 -6.435 -0.675 1.00 0.00 C ATOM 0 H THR B 2 169.861 -3.813 -0.444 1.00 0.00 H new ATOM 0 HA THR B 2 167.699 -5.209 -1.847 1.00 0.00 H new ATOM 0 HB THR B 2 167.919 -6.802 -0.028 1.00 0.00 H new ATOM 0 HG1 THR B 2 169.233 -6.238 1.809 1.00 0.00 H new ATOM 0 HG21 THR B 2 170.354 -7.248 -0.081 1.00 0.00 H new ATOM 0 HG22 THR B 2 169.754 -6.785 -1.691 1.00 0.00 H new ATOM 0 HG23 THR B 2 170.643 -5.605 -0.699 1.00 0.00 H new ATOM 1440 N THR B 3 165.741 -4.907 -0.101 1.00 0.00 N ATOM 1441 CA THR B 3 164.552 -4.368 0.615 1.00 0.00 C ATOM 1442 C THR B 3 164.805 -4.412 2.120 1.00 0.00 C ATOM 1443 O THR B 3 165.524 -5.256 2.615 1.00 0.00 O ATOM 1444 CB THR B 3 163.324 -5.219 0.285 1.00 0.00 C ATOM 1445 OG1 THR B 3 163.615 -6.587 0.534 1.00 0.00 O ATOM 1446 CG2 THR B 3 162.951 -5.034 -1.187 1.00 0.00 C ATOM 0 H THR B 3 165.609 -5.819 -0.537 1.00 0.00 H new ATOM 0 HA THR B 3 164.376 -3.339 0.301 1.00 0.00 H new ATOM 0 HB THR B 3 162.488 -4.906 0.910 1.00 0.00 H new ATOM 0 HG1 THR B 3 162.828 -7.132 0.324 1.00 0.00 H new ATOM 0 HG21 THR B 3 162.076 -5.641 -1.420 1.00 0.00 H new ATOM 0 HG22 THR B 3 162.725 -3.985 -1.376 1.00 0.00 H new ATOM 0 HG23 THR B 3 163.786 -5.344 -1.816 1.00 0.00 H new ATOM 1454 N SER B 4 164.213 -3.512 2.852 1.00 0.00 N ATOM 1455 CA SER B 4 164.411 -3.503 4.325 1.00 0.00 C ATOM 1456 C SER B 4 163.529 -4.577 4.958 1.00 0.00 C ATOM 1457 O SER B 4 162.599 -5.077 4.357 1.00 0.00 O ATOM 1458 CB SER B 4 164.021 -2.134 4.884 1.00 0.00 C ATOM 1459 OG SER B 4 162.624 -1.939 4.707 1.00 0.00 O ATOM 0 H SER B 4 163.599 -2.781 2.492 1.00 0.00 H new ATOM 0 HA SER B 4 165.458 -3.704 4.554 1.00 0.00 H new ATOM 0 HB2 SER B 4 164.278 -2.073 5.941 1.00 0.00 H new ATOM 0 HB3 SER B 4 164.578 -1.348 4.375 1.00 0.00 H new ATOM 0 HG SER B 4 162.368 -1.063 5.065 1.00 0.00 H new ATOM 1465 N GLN B 5 163.830 -4.936 6.173 1.00 0.00 N ATOM 1466 CA GLN B 5 163.038 -5.981 6.880 1.00 0.00 C ATOM 1467 C GLN B 5 161.581 -5.531 7.004 1.00 0.00 C ATOM 1468 O GLN B 5 160.688 -6.336 7.180 1.00 0.00 O ATOM 1469 CB GLN B 5 163.631 -6.198 8.272 1.00 0.00 C ATOM 1470 CG GLN B 5 162.980 -7.418 8.921 1.00 0.00 C ATOM 1471 CD GLN B 5 163.574 -7.634 10.314 1.00 0.00 C ATOM 1472 OE1 GLN B 5 164.223 -6.758 10.853 1.00 0.00 O ATOM 1473 NE2 GLN B 5 163.380 -8.770 10.925 1.00 0.00 N ATOM 0 H GLN B 5 164.601 -4.545 6.714 1.00 0.00 H new ATOM 0 HA GLN B 5 163.074 -6.913 6.316 1.00 0.00 H new ATOM 0 HB2 GLN B 5 164.709 -6.343 8.201 1.00 0.00 H new ATOM 0 HB3 GLN B 5 163.468 -5.315 8.890 1.00 0.00 H new ATOM 0 HG2 GLN B 5 161.902 -7.273 8.992 1.00 0.00 H new ATOM 0 HG3 GLN B 5 163.143 -8.302 8.304 1.00 0.00 H new ATOM 0 HE21 GLN B 5 162.836 -9.505 10.474 1.00 0.00 H new ATOM 0 HE22 GLN B 5 163.772 -8.923 11.854 1.00 0.00 H new ATOM 1482 N LYS B 6 161.332 -4.252 6.923 1.00 0.00 N ATOM 1483 CA LYS B 6 159.935 -3.749 7.044 1.00 0.00 C ATOM 1484 C LYS B 6 159.071 -4.348 5.927 1.00 0.00 C ATOM 1485 O LYS B 6 157.909 -4.642 6.124 1.00 0.00 O ATOM 1486 CB LYS B 6 159.933 -2.223 6.908 1.00 0.00 C ATOM 1487 CG LYS B 6 160.595 -1.584 8.134 1.00 0.00 C ATOM 1488 CD LYS B 6 160.580 -0.061 7.974 1.00 0.00 C ATOM 1489 CE LYS B 6 161.236 0.596 9.189 1.00 0.00 C ATOM 1490 NZ LYS B 6 161.241 2.076 9.007 1.00 0.00 N ATOM 0 H LYS B 6 162.039 -3.532 6.778 1.00 0.00 H new ATOM 0 HA LYS B 6 159.532 -4.038 8.014 1.00 0.00 H new ATOM 0 HB2 LYS B 6 160.466 -1.930 6.003 1.00 0.00 H new ATOM 0 HB3 LYS B 6 158.910 -1.860 6.807 1.00 0.00 H new ATOM 0 HG2 LYS B 6 160.064 -1.872 9.041 1.00 0.00 H new ATOM 0 HG3 LYS B 6 161.620 -1.941 8.237 1.00 0.00 H new ATOM 0 HD2 LYS B 6 161.110 0.223 7.065 1.00 0.00 H new ATOM 0 HD3 LYS B 6 159.554 0.292 7.868 1.00 0.00 H new ATOM 0 HE2 LYS B 6 160.694 0.332 10.097 1.00 0.00 H new ATOM 0 HE3 LYS B 6 162.256 0.229 9.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 161.687 2.526 9.832 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 161.777 2.318 8.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 160.263 2.417 8.913 1.00 0.00 H new ATOM 1504 N HIS B 7 159.617 -4.506 4.752 1.00 0.00 N ATOM 1505 CA HIS B 7 158.810 -5.054 3.622 1.00 0.00 C ATOM 1506 C HIS B 7 158.287 -6.454 3.956 1.00 0.00 C ATOM 1507 O HIS B 7 157.114 -6.735 3.810 1.00 0.00 O ATOM 1508 CB HIS B 7 159.682 -5.117 2.366 1.00 0.00 C ATOM 1509 CG HIS B 7 158.928 -5.789 1.249 1.00 0.00 C ATOM 1510 ND1 HIS B 7 158.070 -5.099 0.403 1.00 0.00 N ATOM 1511 CD2 HIS B 7 158.901 -7.095 0.824 1.00 0.00 C ATOM 1512 CE1 HIS B 7 157.569 -5.988 -0.479 1.00 0.00 C ATOM 1513 NE2 HIS B 7 158.045 -7.213 -0.262 1.00 0.00 N ATOM 0 H HIS B 7 160.585 -4.280 4.525 1.00 0.00 H new ATOM 0 HA HIS B 7 157.955 -4.400 3.450 1.00 0.00 H new ATOM 0 HB2 HIS B 7 159.974 -4.111 2.065 1.00 0.00 H new ATOM 0 HB3 HIS B 7 160.600 -5.665 2.578 1.00 0.00 H new ATOM 0 HD2 HIS B 7 159.460 -7.906 1.267 1.00 0.00 H new ATOM 0 HE1 HIS B 7 156.870 -5.738 -1.263 1.00 0.00 H new ATOM 0 HE2 HIS B 7 157.826 -8.061 -0.785 1.00 0.00 H new ATOM 1521 N ARG B 8 159.140 -7.339 4.404 1.00 0.00 N ATOM 1522 CA ARG B 8 158.683 -8.715 4.742 1.00 0.00 C ATOM 1523 C ARG B 8 157.805 -8.669 5.994 1.00 0.00 C ATOM 1524 O ARG B 8 156.880 -9.442 6.146 1.00 0.00 O ATOM 1525 CB ARG B 8 159.903 -9.610 5.016 1.00 0.00 C ATOM 1526 CG ARG B 8 160.683 -9.887 3.721 1.00 0.00 C ATOM 1527 CD ARG B 8 159.999 -10.996 2.907 1.00 0.00 C ATOM 1528 NE ARG B 8 160.905 -11.425 1.799 1.00 0.00 N ATOM 1529 CZ ARG B 8 160.652 -12.520 1.132 1.00 0.00 C ATOM 1530 NH1 ARG B 8 159.578 -13.213 1.397 1.00 0.00 N ATOM 1531 NH2 ARG B 8 161.468 -12.919 0.194 1.00 0.00 N ATOM 0 H ARG B 8 160.134 -7.165 4.550 1.00 0.00 H new ATOM 0 HA ARG B 8 158.111 -9.119 3.907 1.00 0.00 H new ATOM 0 HB2 ARG B 8 160.557 -9.128 5.743 1.00 0.00 H new ATOM 0 HB3 ARG B 8 159.576 -10.552 5.457 1.00 0.00 H new ATOM 0 HG2 ARG B 8 160.745 -8.976 3.125 1.00 0.00 H new ATOM 0 HG3 ARG B 8 161.705 -10.181 3.961 1.00 0.00 H new ATOM 0 HD2 ARG B 8 159.766 -11.844 3.551 1.00 0.00 H new ATOM 0 HD3 ARG B 8 159.054 -10.635 2.501 1.00 0.00 H new ATOM 0 HE ARG B 8 161.722 -10.862 1.563 1.00 0.00 H new ATOM 0 HH11 ARG B 8 158.936 -12.900 2.125 1.00 0.00 H new ATOM 0 HH12 ARG B 8 159.381 -14.068 0.876 1.00 0.00 H new ATOM 0 HH21 ARG B 8 162.305 -12.376 -0.019 1.00 0.00 H new ATOM 0 HH22 ARG B 8 161.269 -13.774 -0.325 1.00 0.00 H new ATOM 1545 N ASP B 9 158.089 -7.768 6.885 1.00 0.00 N ATOM 1546 CA ASP B 9 157.271 -7.667 8.127 1.00 0.00 C ATOM 1547 C ASP B 9 155.874 -7.121 7.818 1.00 0.00 C ATOM 1548 O ASP B 9 154.892 -7.554 8.385 1.00 0.00 O ATOM 1549 CB ASP B 9 157.959 -6.748 9.134 1.00 0.00 C ATOM 1550 CG ASP B 9 159.216 -7.430 9.674 1.00 0.00 C ATOM 1551 OD1 ASP B 9 159.348 -8.627 9.478 1.00 0.00 O ATOM 1552 OD2 ASP B 9 160.022 -6.745 10.282 1.00 0.00 O ATOM 0 H ASP B 9 158.852 -7.095 6.811 1.00 0.00 H new ATOM 0 HA ASP B 9 157.173 -8.667 8.549 1.00 0.00 H new ATOM 0 HB2 ASP B 9 158.221 -5.803 8.659 1.00 0.00 H new ATOM 0 HB3 ASP B 9 157.279 -6.515 9.953 1.00 0.00 H new ATOM 1557 N PHE B 10 155.771 -6.157 6.944 1.00 0.00 N ATOM 1558 CA PHE B 10 154.432 -5.580 6.631 1.00 0.00 C ATOM 1559 C PHE B 10 153.572 -6.587 5.855 1.00 0.00 C ATOM 1560 O PHE B 10 152.386 -6.704 6.087 1.00 0.00 O ATOM 1561 CB PHE B 10 154.630 -4.318 5.786 1.00 0.00 C ATOM 1562 CG PHE B 10 153.315 -3.595 5.597 1.00 0.00 C ATOM 1563 CD1 PHE B 10 152.914 -2.614 6.515 1.00 0.00 C ATOM 1564 CD2 PHE B 10 152.504 -3.893 4.495 1.00 0.00 C ATOM 1565 CE1 PHE B 10 151.703 -1.934 6.329 1.00 0.00 C ATOM 1566 CE2 PHE B 10 151.292 -3.215 4.312 1.00 0.00 C ATOM 1567 CZ PHE B 10 150.893 -2.235 5.228 1.00 0.00 C ATOM 0 H PHE B 10 156.553 -5.745 6.435 1.00 0.00 H new ATOM 0 HA PHE B 10 153.919 -5.339 7.562 1.00 0.00 H new ATOM 0 HB2 PHE B 10 155.348 -3.657 6.271 1.00 0.00 H new ATOM 0 HB3 PHE B 10 155.048 -4.585 4.815 1.00 0.00 H new ATOM 0 HD1 PHE B 10 153.538 -2.383 7.365 1.00 0.00 H new ATOM 0 HD2 PHE B 10 152.813 -4.646 3.786 1.00 0.00 H new ATOM 0 HE1 PHE B 10 151.395 -1.177 7.035 1.00 0.00 H new ATOM 0 HE2 PHE B 10 150.665 -3.449 3.464 1.00 0.00 H new ATOM 0 HZ PHE B 10 149.960 -1.711 5.085 1.00 0.00 H new ATOM 1577 N VAL B 11 154.151 -7.299 4.922 1.00 0.00 N ATOM 1578 CA VAL B 11 153.349 -8.276 4.120 1.00 0.00 C ATOM 1579 C VAL B 11 153.214 -9.609 4.863 1.00 0.00 C ATOM 1580 O VAL B 11 152.800 -10.599 4.292 1.00 0.00 O ATOM 1581 CB VAL B 11 154.035 -8.508 2.771 1.00 0.00 C ATOM 1582 CG1 VAL B 11 154.248 -7.164 2.064 1.00 0.00 C ATOM 1583 CG2 VAL B 11 155.386 -9.194 2.995 1.00 0.00 C ATOM 0 H VAL B 11 155.141 -7.248 4.680 1.00 0.00 H new ATOM 0 HA VAL B 11 152.351 -7.865 3.964 1.00 0.00 H new ATOM 0 HB VAL B 11 153.406 -9.145 2.149 1.00 0.00 H new ATOM 0 HG11 VAL B 11 154.736 -7.331 1.104 1.00 0.00 H new ATOM 0 HG12 VAL B 11 153.284 -6.682 1.902 1.00 0.00 H new ATOM 0 HG13 VAL B 11 154.875 -6.523 2.683 1.00 0.00 H new ATOM 0 HG21 VAL B 11 155.874 -9.359 2.034 1.00 0.00 H new ATOM 0 HG22 VAL B 11 156.017 -8.560 3.618 1.00 0.00 H new ATOM 0 HG23 VAL B 11 155.230 -10.152 3.492 1.00 0.00 H new ATOM 1593 N ALA B 12 153.570 -9.648 6.128 1.00 0.00 N ATOM 1594 CA ALA B 12 153.477 -10.925 6.913 1.00 0.00 C ATOM 1595 C ALA B 12 152.526 -10.753 8.103 1.00 0.00 C ATOM 1596 O ALA B 12 152.225 -11.700 8.804 1.00 0.00 O ATOM 1597 CB ALA B 12 154.866 -11.297 7.434 1.00 0.00 C ATOM 0 H ALA B 12 153.922 -8.847 6.653 1.00 0.00 H new ATOM 0 HA ALA B 12 153.094 -11.712 6.263 1.00 0.00 H new ATOM 0 HB1 ALA B 12 154.804 -12.224 8.005 1.00 0.00 H new ATOM 0 HB2 ALA B 12 155.546 -11.434 6.593 1.00 0.00 H new ATOM 0 HB3 ALA B 12 155.239 -10.499 8.076 1.00 0.00 H new ATOM 1603 N GLU B 13 152.035 -9.564 8.333 1.00 0.00 N ATOM 1604 CA GLU B 13 151.087 -9.356 9.472 1.00 0.00 C ATOM 1605 C GLU B 13 150.195 -8.137 9.177 1.00 0.00 C ATOM 1606 O GLU B 13 150.610 -7.224 8.491 1.00 0.00 O ATOM 1607 CB GLU B 13 151.879 -9.122 10.764 1.00 0.00 C ATOM 1608 CG GLU B 13 153.099 -8.240 10.474 1.00 0.00 C ATOM 1609 CD GLU B 13 153.597 -7.603 11.773 1.00 0.00 C ATOM 1610 OE1 GLU B 13 153.590 -8.286 12.785 1.00 0.00 O ATOM 1611 OE2 GLU B 13 153.976 -6.445 11.735 1.00 0.00 O ATOM 0 H GLU B 13 152.247 -8.730 7.785 1.00 0.00 H new ATOM 0 HA GLU B 13 150.461 -10.240 9.593 1.00 0.00 H new ATOM 0 HB2 GLU B 13 151.243 -8.645 11.510 1.00 0.00 H new ATOM 0 HB3 GLU B 13 152.200 -10.076 11.182 1.00 0.00 H new ATOM 0 HG2 GLU B 13 153.892 -8.837 10.023 1.00 0.00 H new ATOM 0 HG3 GLU B 13 152.836 -7.464 9.755 1.00 0.00 H new ATOM 1618 N PRO B 14 148.986 -8.100 9.696 1.00 0.00 N ATOM 1619 CA PRO B 14 148.070 -6.945 9.474 1.00 0.00 C ATOM 1620 C PRO B 14 148.806 -5.603 9.587 1.00 0.00 C ATOM 1621 O PRO B 14 149.870 -5.517 10.166 1.00 0.00 O ATOM 1622 CB PRO B 14 147.033 -7.090 10.591 1.00 0.00 C ATOM 1623 CG PRO B 14 146.965 -8.560 10.868 1.00 0.00 C ATOM 1624 CD PRO B 14 148.354 -9.135 10.542 1.00 0.00 C ATOM 0 HA PRO B 14 147.633 -6.950 8.475 1.00 0.00 H new ATOM 0 HB2 PRO B 14 147.330 -6.534 11.480 1.00 0.00 H new ATOM 0 HB3 PRO B 14 146.063 -6.701 10.282 1.00 0.00 H new ATOM 0 HG2 PRO B 14 146.704 -8.746 11.910 1.00 0.00 H new ATOM 0 HG3 PRO B 14 146.197 -9.034 10.257 1.00 0.00 H new ATOM 0 HD2 PRO B 14 148.932 -9.317 11.448 1.00 0.00 H new ATOM 0 HD3 PRO B 14 148.278 -10.087 10.016 1.00 0.00 H new ATOM 1632 N MET B 15 148.248 -4.557 9.037 1.00 0.00 N ATOM 1633 CA MET B 15 148.915 -3.222 9.111 1.00 0.00 C ATOM 1634 C MET B 15 148.404 -2.449 10.332 1.00 0.00 C ATOM 1635 O MET B 15 149.050 -1.546 10.826 1.00 0.00 O ATOM 1636 CB MET B 15 148.598 -2.436 7.840 1.00 0.00 C ATOM 1637 CG MET B 15 147.098 -2.513 7.554 1.00 0.00 C ATOM 1638 SD MET B 15 146.660 -1.298 6.283 1.00 0.00 S ATOM 1639 CE MET B 15 147.037 -2.313 4.831 1.00 0.00 C ATOM 0 H MET B 15 147.358 -4.569 8.539 1.00 0.00 H new ATOM 0 HA MET B 15 149.992 -3.359 9.204 1.00 0.00 H new ATOM 0 HB2 MET B 15 148.904 -1.396 7.957 1.00 0.00 H new ATOM 0 HB3 MET B 15 149.161 -2.841 6.999 1.00 0.00 H new ATOM 0 HG2 MET B 15 146.832 -3.516 7.220 1.00 0.00 H new ATOM 0 HG3 MET B 15 146.533 -2.320 8.466 1.00 0.00 H new ATOM 0 HE1 MET B 15 147.301 -1.667 3.994 1.00 0.00 H new ATOM 0 HE2 MET B 15 147.873 -2.975 5.057 1.00 0.00 H new ATOM 0 HE3 MET B 15 146.164 -2.909 4.567 1.00 0.00 H new ATOM 1649 N GLY B 16 147.250 -2.808 10.823 1.00 0.00 N ATOM 1650 CA GLY B 16 146.688 -2.111 12.017 1.00 0.00 C ATOM 1651 C GLY B 16 146.649 -0.597 11.776 1.00 0.00 C ATOM 1652 O GLY B 16 146.276 -0.136 10.716 1.00 0.00 O ATOM 0 H GLY B 16 146.669 -3.557 10.448 1.00 0.00 H new ATOM 0 HA2 GLY B 16 145.683 -2.480 12.223 1.00 0.00 H new ATOM 0 HA3 GLY B 16 147.295 -2.331 12.895 1.00 0.00 H new ATOM 1656 N GLU B 17 147.011 0.176 12.772 1.00 0.00 N ATOM 1657 CA GLU B 17 146.979 1.670 12.643 1.00 0.00 C ATOM 1658 C GLU B 17 148.403 2.221 12.524 1.00 0.00 C ATOM 1659 O GLU B 17 148.690 3.314 12.969 1.00 0.00 O ATOM 1660 CB GLU B 17 146.321 2.270 13.889 1.00 0.00 C ATOM 1661 CG GLU B 17 144.867 1.801 13.982 1.00 0.00 C ATOM 1662 CD GLU B 17 144.218 2.410 15.226 1.00 0.00 C ATOM 1663 OE1 GLU B 17 143.956 3.602 15.208 1.00 0.00 O ATOM 1664 OE2 GLU B 17 143.989 1.676 16.174 1.00 0.00 O ATOM 0 H GLU B 17 147.331 -0.167 13.678 1.00 0.00 H new ATOM 0 HA GLU B 17 146.413 1.936 11.750 1.00 0.00 H new ATOM 0 HB2 GLU B 17 146.868 1.968 14.782 1.00 0.00 H new ATOM 0 HB3 GLU B 17 146.360 3.358 13.844 1.00 0.00 H new ATOM 0 HG2 GLU B 17 144.319 2.100 13.089 1.00 0.00 H new ATOM 0 HG3 GLU B 17 144.826 0.713 14.032 1.00 0.00 H new ATOM 1671 N LYS B 18 149.301 1.479 11.940 1.00 0.00 N ATOM 1672 CA LYS B 18 150.701 1.970 11.814 1.00 0.00 C ATOM 1673 C LYS B 18 150.702 3.278 11.003 1.00 0.00 C ATOM 1674 O LYS B 18 149.866 3.477 10.146 1.00 0.00 O ATOM 1675 CB LYS B 18 151.533 0.909 11.084 1.00 0.00 C ATOM 1676 CG LYS B 18 151.672 -0.351 11.965 1.00 0.00 C ATOM 1677 CD LYS B 18 152.912 -0.235 12.878 1.00 0.00 C ATOM 1678 CE LYS B 18 154.153 -0.758 12.144 1.00 0.00 C ATOM 1679 NZ LYS B 18 155.344 -0.655 13.037 1.00 0.00 N ATOM 0 H LYS B 18 149.127 0.555 11.545 1.00 0.00 H new ATOM 0 HA LYS B 18 151.127 2.155 12.800 1.00 0.00 H new ATOM 0 HB2 LYS B 18 151.058 0.650 10.138 1.00 0.00 H new ATOM 0 HB3 LYS B 18 152.519 1.308 10.847 1.00 0.00 H new ATOM 0 HG2 LYS B 18 150.776 -0.479 12.572 1.00 0.00 H new ATOM 0 HG3 LYS B 18 151.758 -1.236 11.334 1.00 0.00 H new ATOM 0 HD2 LYS B 18 153.063 0.804 13.170 1.00 0.00 H new ATOM 0 HD3 LYS B 18 152.754 -0.804 13.794 1.00 0.00 H new ATOM 0 HE2 LYS B 18 154.000 -1.794 11.843 1.00 0.00 H new ATOM 0 HE3 LYS B 18 154.318 -0.183 11.233 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 156.184 -1.010 12.537 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 155.494 0.339 13.303 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 155.185 -1.222 13.894 1.00 0.00 H new ATOM 1693 N PRO B 19 151.622 4.175 11.277 1.00 0.00 N ATOM 1694 CA PRO B 19 151.700 5.487 10.563 1.00 0.00 C ATOM 1695 C PRO B 19 152.016 5.323 9.069 1.00 0.00 C ATOM 1696 O PRO B 19 152.616 4.353 8.649 1.00 0.00 O ATOM 1697 CB PRO B 19 152.827 6.243 11.290 1.00 0.00 C ATOM 1698 CG PRO B 19 153.654 5.177 11.936 1.00 0.00 C ATOM 1699 CD PRO B 19 152.687 4.048 12.288 1.00 0.00 C ATOM 0 HA PRO B 19 150.748 6.017 10.588 1.00 0.00 H new ATOM 0 HB2 PRO B 19 153.420 6.834 10.592 1.00 0.00 H new ATOM 0 HB3 PRO B 19 152.425 6.934 12.031 1.00 0.00 H new ATOM 0 HG2 PRO B 19 154.434 4.826 11.261 1.00 0.00 H new ATOM 0 HG3 PRO B 19 154.152 5.557 12.828 1.00 0.00 H new ATOM 0 HD2 PRO B 19 153.173 3.074 12.238 1.00 0.00 H new ATOM 0 HD3 PRO B 19 152.295 4.157 13.299 1.00 0.00 H new ATOM 1707 N VAL B 20 151.596 6.267 8.274 1.00 0.00 N ATOM 1708 CA VAL B 20 151.838 6.188 6.805 1.00 0.00 C ATOM 1709 C VAL B 20 153.325 5.954 6.513 1.00 0.00 C ATOM 1710 O VAL B 20 153.682 5.224 5.610 1.00 0.00 O ATOM 1711 CB VAL B 20 151.381 7.495 6.151 1.00 0.00 C ATOM 1712 CG1 VAL B 20 152.090 8.683 6.808 1.00 0.00 C ATOM 1713 CG2 VAL B 20 151.719 7.464 4.659 1.00 0.00 C ATOM 0 H VAL B 20 151.091 7.098 8.581 1.00 0.00 H new ATOM 0 HA VAL B 20 151.273 5.350 6.396 1.00 0.00 H new ATOM 0 HB VAL B 20 150.304 7.603 6.281 1.00 0.00 H new ATOM 0 HG11 VAL B 20 151.760 9.609 6.338 1.00 0.00 H new ATOM 0 HG12 VAL B 20 151.848 8.709 7.870 1.00 0.00 H new ATOM 0 HG13 VAL B 20 153.168 8.577 6.684 1.00 0.00 H new ATOM 0 HG21 VAL B 20 151.394 8.394 4.193 1.00 0.00 H new ATOM 0 HG22 VAL B 20 152.796 7.352 4.532 1.00 0.00 H new ATOM 0 HG23 VAL B 20 151.208 6.624 4.188 1.00 0.00 H new ATOM 1723 N GLY B 21 154.193 6.588 7.260 1.00 0.00 N ATOM 1724 CA GLY B 21 155.658 6.428 7.022 1.00 0.00 C ATOM 1725 C GLY B 21 156.083 4.976 7.261 1.00 0.00 C ATOM 1726 O GLY B 21 157.229 4.624 7.068 1.00 0.00 O ATOM 0 H GLY B 21 153.948 7.213 8.028 1.00 0.00 H new ATOM 0 HA2 GLY B 21 155.901 6.721 6.001 1.00 0.00 H new ATOM 0 HA3 GLY B 21 156.215 7.090 7.685 1.00 0.00 H new ATOM 1730 N SER B 22 155.183 4.126 7.677 1.00 0.00 N ATOM 1731 CA SER B 22 155.560 2.704 7.914 1.00 0.00 C ATOM 1732 C SER B 22 155.543 1.953 6.582 1.00 0.00 C ATOM 1733 O SER B 22 156.199 0.943 6.417 1.00 0.00 O ATOM 1734 CB SER B 22 154.549 2.063 8.864 1.00 0.00 C ATOM 1735 OG SER B 22 154.547 2.770 10.097 1.00 0.00 O ATOM 0 H SER B 22 154.206 4.354 7.862 1.00 0.00 H new ATOM 0 HA SER B 22 156.556 2.657 8.354 1.00 0.00 H new ATOM 0 HB2 SER B 22 153.554 2.081 8.420 1.00 0.00 H new ATOM 0 HB3 SER B 22 154.804 1.017 9.032 1.00 0.00 H new ATOM 0 HG SER B 22 154.634 2.135 10.838 1.00 0.00 H new ATOM 1741 N LEU B 23 154.789 2.434 5.633 1.00 0.00 N ATOM 1742 CA LEU B 23 154.721 1.744 4.316 1.00 0.00 C ATOM 1743 C LEU B 23 156.096 1.782 3.640 1.00 0.00 C ATOM 1744 O LEU B 23 156.808 2.764 3.687 1.00 0.00 O ATOM 1745 CB LEU B 23 153.679 2.439 3.435 1.00 0.00 C ATOM 1746 CG LEU B 23 152.284 2.279 4.064 1.00 0.00 C ATOM 1747 CD1 LEU B 23 151.286 3.177 3.323 1.00 0.00 C ATOM 1748 CD2 LEU B 23 151.821 0.808 3.983 1.00 0.00 C ATOM 0 H LEU B 23 154.217 3.275 5.713 1.00 0.00 H new ATOM 0 HA LEU B 23 154.431 0.703 4.461 1.00 0.00 H new ATOM 0 HB2 LEU B 23 153.923 3.496 3.330 1.00 0.00 H new ATOM 0 HB3 LEU B 23 153.689 2.009 2.434 1.00 0.00 H new ATOM 0 HG LEU B 23 152.333 2.571 5.113 1.00 0.00 H new ATOM 0 HD11 LEU B 23 150.297 3.065 3.767 1.00 0.00 H new ATOM 0 HD12 LEU B 23 151.604 4.217 3.402 1.00 0.00 H new ATOM 0 HD13 LEU B 23 151.247 2.888 2.273 1.00 0.00 H new ATOM 0 HD21 LEU B 23 150.833 0.712 4.432 1.00 0.00 H new ATOM 0 HD22 LEU B 23 151.777 0.497 2.939 1.00 0.00 H new ATOM 0 HD23 LEU B 23 152.527 0.174 4.520 1.00 0.00 H new ATOM 1760 N ALA B 24 156.463 0.700 3.021 1.00 0.00 N ATOM 1761 CA ALA B 24 157.791 0.636 2.343 1.00 0.00 C ATOM 1762 C ALA B 24 157.858 1.651 1.195 1.00 0.00 C ATOM 1763 O ALA B 24 156.931 1.805 0.425 1.00 0.00 O ATOM 1764 CB ALA B 24 158.004 -0.772 1.783 1.00 0.00 C ATOM 0 H ALA B 24 155.901 -0.149 2.953 1.00 0.00 H new ATOM 0 HA ALA B 24 158.569 0.873 3.069 1.00 0.00 H new ATOM 0 HB1 ALA B 24 158.973 -0.823 1.287 1.00 0.00 H new ATOM 0 HB2 ALA B 24 157.975 -1.496 2.597 1.00 0.00 H new ATOM 0 HB3 ALA B 24 157.216 -1.001 1.065 1.00 0.00 H new ATOM 1770 N GLY B 25 158.970 2.332 1.080 1.00 0.00 N ATOM 1771 CA GLY B 25 159.142 3.338 -0.018 1.00 0.00 C ATOM 1772 C GLY B 25 158.882 4.748 0.514 1.00 0.00 C ATOM 1773 O GLY B 25 159.325 5.723 -0.061 1.00 0.00 O ATOM 0 H GLY B 25 159.772 2.235 1.702 1.00 0.00 H new ATOM 0 HA2 GLY B 25 160.151 3.275 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY B 25 158.455 3.117 -0.835 1.00 0.00 H new ATOM 1777 N ILE B 26 158.179 4.873 1.609 1.00 0.00 N ATOM 1778 CA ILE B 26 157.900 6.231 2.176 1.00 0.00 C ATOM 1779 C ILE B 26 158.902 6.504 3.298 1.00 0.00 C ATOM 1780 O ILE B 26 158.964 5.775 4.268 1.00 0.00 O ATOM 1781 CB ILE B 26 156.479 6.271 2.743 1.00 0.00 C ATOM 1782 CG1 ILE B 26 155.478 5.802 1.675 1.00 0.00 C ATOM 1783 CG2 ILE B 26 156.139 7.699 3.173 1.00 0.00 C ATOM 1784 CD1 ILE B 26 155.669 6.591 0.375 1.00 0.00 C ATOM 0 H ILE B 26 157.785 4.095 2.137 1.00 0.00 H new ATOM 0 HA ILE B 26 157.993 6.986 1.395 1.00 0.00 H new ATOM 0 HB ILE B 26 156.419 5.608 3.606 1.00 0.00 H new ATOM 0 HG12 ILE B 26 155.613 4.737 1.484 1.00 0.00 H new ATOM 0 HG13 ILE B 26 154.460 5.933 2.040 1.00 0.00 H new ATOM 0 HG21 ILE B 26 155.127 7.726 3.577 1.00 0.00 H new ATOM 0 HG22 ILE B 26 156.843 8.026 3.938 1.00 0.00 H new ATOM 0 HG23 ILE B 26 156.204 8.364 2.312 1.00 0.00 H new ATOM 0 HD11 ILE B 26 154.952 6.245 -0.369 1.00 0.00 H new ATOM 0 HD12 ILE B 26 155.510 7.652 0.567 1.00 0.00 H new ATOM 0 HD13 ILE B 26 156.682 6.438 0.002 1.00 0.00 H new ATOM 1796 N GLY B 27 159.693 7.543 3.187 1.00 0.00 N ATOM 1797 CA GLY B 27 160.685 7.847 4.260 1.00 0.00 C ATOM 1798 C GLY B 27 160.070 8.806 5.282 1.00 0.00 C ATOM 1799 O GLY B 27 158.947 9.250 5.139 1.00 0.00 O ATOM 0 H GLY B 27 159.693 8.192 2.400 1.00 0.00 H new ATOM 0 HA2 GLY B 27 160.994 6.925 4.753 1.00 0.00 H new ATOM 0 HA3 GLY B 27 161.580 8.291 3.824 1.00 0.00 H new ATOM 1803 N GLU B 28 160.792 9.102 6.326 1.00 0.00 N ATOM 1804 CA GLU B 28 160.249 10.008 7.379 1.00 0.00 C ATOM 1805 C GLU B 28 159.900 11.377 6.779 1.00 0.00 C ATOM 1806 O GLU B 28 158.899 11.973 7.124 1.00 0.00 O ATOM 1807 CB GLU B 28 161.298 10.187 8.479 1.00 0.00 C ATOM 1808 CG GLU B 28 161.480 8.867 9.231 1.00 0.00 C ATOM 1809 CD GLU B 28 160.228 8.564 10.054 1.00 0.00 C ATOM 1810 OE1 GLU B 28 160.015 9.245 11.044 1.00 0.00 O ATOM 1811 OE2 GLU B 28 159.501 7.660 9.679 1.00 0.00 O ATOM 0 H GLU B 28 161.736 8.756 6.497 1.00 0.00 H new ATOM 0 HA GLU B 28 159.344 9.566 7.795 1.00 0.00 H new ATOM 0 HB2 GLU B 28 162.246 10.504 8.044 1.00 0.00 H new ATOM 0 HB3 GLU B 28 160.986 10.971 9.169 1.00 0.00 H new ATOM 0 HG2 GLU B 28 161.667 8.058 8.525 1.00 0.00 H new ATOM 0 HG3 GLU B 28 162.350 8.927 9.884 1.00 0.00 H new ATOM 1818 N VAL B 29 160.714 11.886 5.892 1.00 0.00 N ATOM 1819 CA VAL B 29 160.412 13.220 5.292 1.00 0.00 C ATOM 1820 C VAL B 29 159.162 13.112 4.414 1.00 0.00 C ATOM 1821 O VAL B 29 158.285 13.952 4.455 1.00 0.00 O ATOM 1822 CB VAL B 29 161.608 13.678 4.445 1.00 0.00 C ATOM 1823 CG1 VAL B 29 161.228 14.918 3.622 1.00 0.00 C ATOM 1824 CG2 VAL B 29 162.781 14.016 5.372 1.00 0.00 C ATOM 0 H VAL B 29 161.569 11.440 5.559 1.00 0.00 H new ATOM 0 HA VAL B 29 160.232 13.948 6.083 1.00 0.00 H new ATOM 0 HB VAL B 29 161.895 12.877 3.764 1.00 0.00 H new ATOM 0 HG11 VAL B 29 162.083 15.235 3.025 1.00 0.00 H new ATOM 0 HG12 VAL B 29 160.395 14.676 2.962 1.00 0.00 H new ATOM 0 HG13 VAL B 29 160.936 15.725 4.294 1.00 0.00 H new ATOM 0 HG21 VAL B 29 163.633 14.342 4.776 1.00 0.00 H new ATOM 0 HG22 VAL B 29 162.488 14.815 6.053 1.00 0.00 H new ATOM 0 HG23 VAL B 29 163.057 13.132 5.947 1.00 0.00 H new ATOM 1834 N LEU B 30 159.085 12.087 3.614 1.00 0.00 N ATOM 1835 CA LEU B 30 157.910 11.913 2.715 1.00 0.00 C ATOM 1836 C LEU B 30 156.661 11.637 3.549 1.00 0.00 C ATOM 1837 O LEU B 30 155.578 12.088 3.234 1.00 0.00 O ATOM 1838 CB LEU B 30 158.170 10.734 1.778 1.00 0.00 C ATOM 1839 CG LEU B 30 159.356 11.054 0.859 1.00 0.00 C ATOM 1840 CD1 LEU B 30 159.817 9.771 0.167 1.00 0.00 C ATOM 1841 CD2 LEU B 30 158.951 12.092 -0.206 1.00 0.00 C ATOM 0 H LEU B 30 159.792 11.355 3.543 1.00 0.00 H new ATOM 0 HA LEU B 30 157.757 12.821 2.132 1.00 0.00 H new ATOM 0 HB2 LEU B 30 158.380 9.835 2.358 1.00 0.00 H new ATOM 0 HB3 LEU B 30 157.281 10.528 1.182 1.00 0.00 H new ATOM 0 HG LEU B 30 160.166 11.467 1.460 1.00 0.00 H new ATOM 0 HD11 LEU B 30 160.660 9.993 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU B 30 160.123 9.042 0.918 1.00 0.00 H new ATOM 0 HD13 LEU B 30 158.997 9.361 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU B 30 159.805 12.306 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU B 30 158.134 11.695 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU B 30 158.627 13.010 0.285 1.00 0.00 H new ATOM 1853 N GLY B 31 156.805 10.904 4.613 1.00 0.00 N ATOM 1854 CA GLY B 31 155.624 10.607 5.467 1.00 0.00 C ATOM 1855 C GLY B 31 155.046 11.925 5.978 1.00 0.00 C ATOM 1856 O GLY B 31 153.848 12.091 6.096 1.00 0.00 O ATOM 0 H GLY B 31 157.686 10.498 4.929 1.00 0.00 H new ATOM 0 HA2 GLY B 31 154.873 10.061 4.896 1.00 0.00 H new ATOM 0 HA3 GLY B 31 155.913 9.971 6.304 1.00 0.00 H new ATOM 1860 N LYS B 32 155.899 12.865 6.281 1.00 0.00 N ATOM 1861 CA LYS B 32 155.422 14.182 6.786 1.00 0.00 C ATOM 1862 C LYS B 32 154.599 14.892 5.706 1.00 0.00 C ATOM 1863 O LYS B 32 153.603 15.526 5.996 1.00 0.00 O ATOM 1864 CB LYS B 32 156.628 15.049 7.156 1.00 0.00 C ATOM 1865 CG LYS B 32 156.150 16.323 7.853 1.00 0.00 C ATOM 1866 CD LYS B 32 157.357 17.185 8.221 1.00 0.00 C ATOM 1867 CE LYS B 32 156.883 18.454 8.930 1.00 0.00 C ATOM 1868 NZ LYS B 32 156.161 19.327 7.963 1.00 0.00 N ATOM 0 H LYS B 32 156.912 12.776 6.200 1.00 0.00 H new ATOM 0 HA LYS B 32 154.797 14.023 7.664 1.00 0.00 H new ATOM 0 HB2 LYS B 32 157.300 14.494 7.811 1.00 0.00 H new ATOM 0 HB3 LYS B 32 157.194 15.303 6.260 1.00 0.00 H new ATOM 0 HG2 LYS B 32 155.479 16.879 7.198 1.00 0.00 H new ATOM 0 HG3 LYS B 32 155.584 16.070 8.749 1.00 0.00 H new ATOM 0 HD2 LYS B 32 158.033 16.625 8.868 1.00 0.00 H new ATOM 0 HD3 LYS B 32 157.918 17.446 7.323 1.00 0.00 H new ATOM 0 HE2 LYS B 32 156.227 18.195 9.761 1.00 0.00 H new ATOM 0 HE3 LYS B 32 157.735 18.987 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 156.167 20.308 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 156.633 19.284 7.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 155.179 19.000 7.866 1.00 0.00 H new ATOM 1882 N LYS B 33 155.011 14.818 4.467 1.00 0.00 N ATOM 1883 CA LYS B 33 154.248 15.521 3.391 1.00 0.00 C ATOM 1884 C LYS B 33 152.862 14.888 3.235 1.00 0.00 C ATOM 1885 O LYS B 33 151.860 15.576 3.211 1.00 0.00 O ATOM 1886 CB LYS B 33 155.010 15.398 2.072 1.00 0.00 C ATOM 1887 CG LYS B 33 156.325 16.172 2.166 1.00 0.00 C ATOM 1888 CD LYS B 33 157.085 16.046 0.843 1.00 0.00 C ATOM 1889 CE LYS B 33 158.404 16.814 0.937 1.00 0.00 C ATOM 1890 NZ LYS B 33 159.163 16.647 -0.334 1.00 0.00 N ATOM 0 H LYS B 33 155.836 14.306 4.155 1.00 0.00 H new ATOM 0 HA LYS B 33 154.134 16.572 3.658 1.00 0.00 H new ATOM 0 HB2 LYS B 33 155.209 14.349 1.851 1.00 0.00 H new ATOM 0 HB3 LYS B 33 154.405 15.787 1.253 1.00 0.00 H new ATOM 0 HG2 LYS B 33 156.127 17.221 2.386 1.00 0.00 H new ATOM 0 HG3 LYS B 33 156.931 15.783 2.985 1.00 0.00 H new ATOM 0 HD2 LYS B 33 157.278 14.996 0.621 1.00 0.00 H new ATOM 0 HD3 LYS B 33 156.481 16.439 0.025 1.00 0.00 H new ATOM 0 HE2 LYS B 33 158.210 17.871 1.122 1.00 0.00 H new ATOM 0 HE3 LYS B 33 158.993 16.446 1.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 160.061 17.168 -0.273 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 159.359 15.638 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 158.600 17.018 -1.126 1.00 0.00 H new ATOM 1904 N LEU B 34 152.788 13.590 3.148 1.00 0.00 N ATOM 1905 CA LEU B 34 151.457 12.931 3.018 1.00 0.00 C ATOM 1906 C LEU B 34 150.619 13.265 4.258 1.00 0.00 C ATOM 1907 O LEU B 34 149.427 13.488 4.181 1.00 0.00 O ATOM 1908 CB LEU B 34 151.634 11.410 2.887 1.00 0.00 C ATOM 1909 CG LEU B 34 152.257 11.057 1.522 1.00 0.00 C ATOM 1910 CD1 LEU B 34 152.870 9.655 1.586 1.00 0.00 C ATOM 1911 CD2 LEU B 34 151.177 11.068 0.424 1.00 0.00 C ATOM 0 H LEU B 34 153.588 12.958 3.161 1.00 0.00 H new ATOM 0 HA LEU B 34 150.949 13.294 2.125 1.00 0.00 H new ATOM 0 HB2 LEU B 34 152.271 11.041 3.691 1.00 0.00 H new ATOM 0 HB3 LEU B 34 150.669 10.915 2.992 1.00 0.00 H new ATOM 0 HG LEU B 34 153.024 11.796 1.289 1.00 0.00 H new ATOM 0 HD11 LEU B 34 153.310 9.406 0.620 1.00 0.00 H new ATOM 0 HD12 LEU B 34 153.643 9.630 2.354 1.00 0.00 H new ATOM 0 HD13 LEU B 34 152.094 8.929 1.829 1.00 0.00 H new ATOM 0 HD21 LEU B 34 151.630 10.817 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU B 34 150.407 10.335 0.664 1.00 0.00 H new ATOM 0 HD23 LEU B 34 150.728 12.060 0.365 1.00 0.00 H new ATOM 1923 N GLU B 35 151.246 13.297 5.398 1.00 0.00 N ATOM 1924 CA GLU B 35 150.491 13.613 6.646 1.00 0.00 C ATOM 1925 C GLU B 35 149.861 15.005 6.529 1.00 0.00 C ATOM 1926 O GLU B 35 148.735 15.223 6.930 1.00 0.00 O ATOM 1927 CB GLU B 35 151.442 13.559 7.847 1.00 0.00 C ATOM 1928 CG GLU B 35 150.676 13.882 9.135 1.00 0.00 C ATOM 1929 CD GLU B 35 151.620 13.759 10.332 1.00 0.00 C ATOM 1930 OE1 GLU B 35 152.720 13.267 10.147 1.00 0.00 O ATOM 1931 OE2 GLU B 35 151.226 14.158 11.416 1.00 0.00 O ATOM 0 H GLU B 35 152.243 13.120 5.523 1.00 0.00 H new ATOM 0 HA GLU B 35 149.698 12.879 6.789 1.00 0.00 H new ATOM 0 HB2 GLU B 35 151.893 12.569 7.920 1.00 0.00 H new ATOM 0 HB3 GLU B 35 152.256 14.271 7.710 1.00 0.00 H new ATOM 0 HG2 GLU B 35 150.265 14.890 9.084 1.00 0.00 H new ATOM 0 HG3 GLU B 35 149.833 13.200 9.251 1.00 0.00 H new ATOM 1938 N GLU B 36 150.574 15.945 5.969 1.00 0.00 N ATOM 1939 CA GLU B 36 150.016 17.320 5.810 1.00 0.00 C ATOM 1940 C GLU B 36 148.881 17.279 4.782 1.00 0.00 C ATOM 1941 O GLU B 36 148.061 18.171 4.704 1.00 0.00 O ATOM 1942 CB GLU B 36 151.115 18.273 5.328 1.00 0.00 C ATOM 1943 CG GLU B 36 152.126 18.498 6.454 1.00 0.00 C ATOM 1944 CD GLU B 36 153.222 19.449 5.972 1.00 0.00 C ATOM 1945 OE1 GLU B 36 153.231 19.760 4.793 1.00 0.00 O ATOM 1946 OE2 GLU B 36 154.028 19.856 6.791 1.00 0.00 O ATOM 0 H GLU B 36 151.522 15.820 5.614 1.00 0.00 H new ATOM 0 HA GLU B 36 149.635 17.675 6.767 1.00 0.00 H new ATOM 0 HB2 GLU B 36 151.615 17.856 4.454 1.00 0.00 H new ATOM 0 HB3 GLU B 36 150.678 19.224 5.022 1.00 0.00 H new ATOM 0 HG2 GLU B 36 151.626 18.915 7.328 1.00 0.00 H new ATOM 0 HG3 GLU B 36 152.563 17.548 6.760 1.00 0.00 H new ATOM 1953 N ARG B 37 148.854 16.252 3.978 1.00 0.00 N ATOM 1954 CA ARG B 37 147.797 16.148 2.925 1.00 0.00 C ATOM 1955 C ARG B 37 146.563 15.418 3.476 1.00 0.00 C ATOM 1956 O ARG B 37 145.582 15.249 2.778 1.00 0.00 O ATOM 1957 CB ARG B 37 148.355 15.377 1.722 1.00 0.00 C ATOM 1958 CG ARG B 37 149.412 16.216 0.984 1.00 0.00 C ATOM 1959 CD ARG B 37 148.743 17.249 0.063 1.00 0.00 C ATOM 1960 NE ARG B 37 149.789 17.898 -0.779 1.00 0.00 N ATOM 1961 CZ ARG B 37 149.448 18.584 -1.837 1.00 0.00 C ATOM 1962 NH1 ARG B 37 148.191 18.705 -2.162 1.00 0.00 N ATOM 1963 NH2 ARG B 37 150.368 19.149 -2.570 1.00 0.00 N ATOM 0 H ARG B 37 149.518 15.478 4.003 1.00 0.00 H new ATOM 0 HA ARG B 37 147.502 17.151 2.617 1.00 0.00 H new ATOM 0 HB2 ARG B 37 148.797 14.439 2.058 1.00 0.00 H new ATOM 0 HB3 ARG B 37 147.545 15.121 1.039 1.00 0.00 H new ATOM 0 HG2 ARG B 37 150.049 16.725 1.707 1.00 0.00 H new ATOM 0 HG3 ARG B 37 150.057 15.562 0.397 1.00 0.00 H new ATOM 0 HD2 ARG B 37 147.999 16.764 -0.569 1.00 0.00 H new ATOM 0 HD3 ARG B 37 148.219 17.998 0.656 1.00 0.00 H new ATOM 0 HE ARG B 37 150.773 17.806 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG B 37 147.471 18.263 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG B 37 147.927 19.241 -2.989 1.00 0.00 H new ATOM 0 HH21 ARG B 37 151.351 19.055 -2.316 1.00 0.00 H new ATOM 0 HH22 ARG B 37 150.104 19.685 -3.397 1.00 0.00 H new ATOM 1977 N GLY B 38 146.578 15.023 4.730 1.00 0.00 N ATOM 1978 CA GLY B 38 145.370 14.351 5.326 1.00 0.00 C ATOM 1979 C GLY B 38 145.571 12.840 5.472 1.00 0.00 C ATOM 1980 O GLY B 38 144.669 12.136 5.882 1.00 0.00 O ATOM 0 H GLY B 38 147.368 15.135 5.365 1.00 0.00 H new ATOM 0 HA2 GLY B 38 145.158 14.785 6.303 1.00 0.00 H new ATOM 0 HA3 GLY B 38 144.501 14.542 4.697 1.00 0.00 H new ATOM 1984 N PHE B 39 146.733 12.330 5.158 1.00 0.00 N ATOM 1985 CA PHE B 39 146.973 10.855 5.301 1.00 0.00 C ATOM 1986 C PHE B 39 147.840 10.607 6.538 1.00 0.00 C ATOM 1987 O PHE B 39 149.027 10.369 6.440 1.00 0.00 O ATOM 1988 CB PHE B 39 147.708 10.338 4.069 1.00 0.00 C ATOM 1989 CG PHE B 39 146.853 10.537 2.843 1.00 0.00 C ATOM 1990 CD1 PHE B 39 145.955 9.543 2.442 1.00 0.00 C ATOM 1991 CD2 PHE B 39 146.955 11.724 2.112 1.00 0.00 C ATOM 1992 CE1 PHE B 39 145.157 9.736 1.308 1.00 0.00 C ATOM 1993 CE2 PHE B 39 146.160 11.919 0.978 1.00 0.00 C ATOM 1994 CZ PHE B 39 145.260 10.925 0.575 1.00 0.00 C ATOM 0 H PHE B 39 147.527 12.866 4.809 1.00 0.00 H new ATOM 0 HA PHE B 39 146.019 10.338 5.403 1.00 0.00 H new ATOM 0 HB2 PHE B 39 148.655 10.864 3.952 1.00 0.00 H new ATOM 0 HB3 PHE B 39 147.943 9.281 4.192 1.00 0.00 H new ATOM 0 HD1 PHE B 39 145.877 8.626 3.007 1.00 0.00 H new ATOM 0 HD2 PHE B 39 147.648 12.491 2.423 1.00 0.00 H new ATOM 0 HE1 PHE B 39 144.463 8.969 0.999 1.00 0.00 H new ATOM 0 HE2 PHE B 39 146.240 12.836 0.413 1.00 0.00 H new ATOM 0 HZ PHE B 39 144.646 11.075 -0.300 1.00 0.00 H new ATOM 2004 N ASP B 40 147.254 10.682 7.701 1.00 0.00 N ATOM 2005 CA ASP B 40 148.050 10.476 8.946 1.00 0.00 C ATOM 2006 C ASP B 40 148.240 8.981 9.230 1.00 0.00 C ATOM 2007 O ASP B 40 149.007 8.615 10.099 1.00 0.00 O ATOM 2008 CB ASP B 40 147.326 11.130 10.125 1.00 0.00 C ATOM 2009 CG ASP B 40 145.967 10.459 10.328 1.00 0.00 C ATOM 2010 OD1 ASP B 40 145.499 9.821 9.399 1.00 0.00 O ATOM 2011 OD2 ASP B 40 145.417 10.596 11.408 1.00 0.00 O ATOM 0 H ASP B 40 146.263 10.876 7.844 1.00 0.00 H new ATOM 0 HA ASP B 40 149.031 10.931 8.811 1.00 0.00 H new ATOM 0 HB2 ASP B 40 147.927 11.039 11.030 1.00 0.00 H new ATOM 0 HB3 ASP B 40 147.193 12.195 9.937 1.00 0.00 H new ATOM 2016 N LYS B 41 147.554 8.109 8.523 1.00 0.00 N ATOM 2017 CA LYS B 41 147.718 6.639 8.787 1.00 0.00 C ATOM 2018 C LYS B 41 147.782 5.858 7.470 1.00 0.00 C ATOM 2019 O LYS B 41 147.379 6.329 6.426 1.00 0.00 O ATOM 2020 CB LYS B 41 146.561 6.140 9.648 1.00 0.00 C ATOM 2021 CG LYS B 41 146.643 6.828 11.012 1.00 0.00 C ATOM 2022 CD LYS B 41 145.515 6.334 11.913 1.00 0.00 C ATOM 2023 CE LYS B 41 145.610 7.037 13.266 1.00 0.00 C ATOM 2024 NZ LYS B 41 146.801 6.531 14.003 1.00 0.00 N ATOM 0 H LYS B 41 146.895 8.348 7.782 1.00 0.00 H new ATOM 0 HA LYS B 41 148.654 6.478 9.321 1.00 0.00 H new ATOM 0 HB2 LYS B 41 145.608 6.362 9.168 1.00 0.00 H new ATOM 0 HB3 LYS B 41 146.615 5.058 9.765 1.00 0.00 H new ATOM 0 HG2 LYS B 41 147.607 6.621 11.476 1.00 0.00 H new ATOM 0 HG3 LYS B 41 146.574 7.909 10.888 1.00 0.00 H new ATOM 0 HD2 LYS B 41 144.549 6.537 11.451 1.00 0.00 H new ATOM 0 HD3 LYS B 41 145.585 5.254 12.045 1.00 0.00 H new ATOM 0 HE2 LYS B 41 145.687 8.115 13.124 1.00 0.00 H new ATOM 0 HE3 LYS B 41 144.705 6.856 13.847 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 146.716 6.776 15.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 146.858 5.497 13.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 147.661 6.965 13.612 1.00 0.00 H new ATOM 2038 N ALA B 42 148.336 4.673 7.524 1.00 0.00 N ATOM 2039 CA ALA B 42 148.494 3.836 6.295 1.00 0.00 C ATOM 2040 C ALA B 42 147.150 3.399 5.693 1.00 0.00 C ATOM 2041 O ALA B 42 146.990 3.399 4.488 1.00 0.00 O ATOM 2042 CB ALA B 42 149.301 2.585 6.649 1.00 0.00 C ATOM 0 H ALA B 42 148.690 4.244 8.379 1.00 0.00 H new ATOM 0 HA ALA B 42 149.004 4.447 5.550 1.00 0.00 H new ATOM 0 HB1 ALA B 42 149.423 1.967 5.760 1.00 0.00 H new ATOM 0 HB2 ALA B 42 150.282 2.879 7.024 1.00 0.00 H new ATOM 0 HB3 ALA B 42 148.774 2.017 7.416 1.00 0.00 H new ATOM 2048 N TYR B 43 146.198 2.981 6.488 1.00 0.00 N ATOM 2049 CA TYR B 43 144.915 2.501 5.891 1.00 0.00 C ATOM 2050 C TYR B 43 144.235 3.610 5.079 1.00 0.00 C ATOM 2051 O TYR B 43 143.424 3.334 4.217 1.00 0.00 O ATOM 2052 CB TYR B 43 143.967 1.940 6.965 1.00 0.00 C ATOM 2053 CG TYR B 43 143.463 3.022 7.892 1.00 0.00 C ATOM 2054 CD1 TYR B 43 142.476 3.917 7.461 1.00 0.00 C ATOM 2055 CD2 TYR B 43 143.960 3.107 9.198 1.00 0.00 C ATOM 2056 CE1 TYR B 43 141.994 4.898 8.333 1.00 0.00 C ATOM 2057 CE2 TYR B 43 143.476 4.088 10.068 1.00 0.00 C ATOM 2058 CZ TYR B 43 142.493 4.984 9.637 1.00 0.00 C ATOM 2059 OH TYR B 43 142.016 5.954 10.496 1.00 0.00 O ATOM 0 H TYR B 43 146.250 2.951 7.506 1.00 0.00 H new ATOM 0 HA TYR B 43 145.156 1.685 5.209 1.00 0.00 H new ATOM 0 HB2 TYR B 43 143.120 1.452 6.483 1.00 0.00 H new ATOM 0 HB3 TYR B 43 144.486 1.178 7.545 1.00 0.00 H new ATOM 0 HD1 TYR B 43 142.087 3.850 6.456 1.00 0.00 H new ATOM 0 HD2 TYR B 43 144.718 2.414 9.533 1.00 0.00 H new ATOM 0 HE1 TYR B 43 141.235 5.590 7.999 1.00 0.00 H new ATOM 0 HE2 TYR B 43 143.862 4.154 11.075 1.00 0.00 H new ATOM 0 HH TYR B 43 142.467 5.874 11.362 1.00 0.00 H new ATOM 2069 N VAL B 44 144.568 4.854 5.304 1.00 0.00 N ATOM 2070 CA VAL B 44 143.938 5.936 4.487 1.00 0.00 C ATOM 2071 C VAL B 44 144.638 5.953 3.123 1.00 0.00 C ATOM 2072 O VAL B 44 144.045 6.201 2.089 1.00 0.00 O ATOM 2073 CB VAL B 44 144.122 7.298 5.169 1.00 0.00 C ATOM 2074 CG1 VAL B 44 143.362 8.376 4.389 1.00 0.00 C ATOM 2075 CG2 VAL B 44 143.582 7.242 6.599 1.00 0.00 C ATOM 0 H VAL B 44 145.238 5.166 6.007 1.00 0.00 H new ATOM 0 HA VAL B 44 142.870 5.749 4.378 1.00 0.00 H new ATOM 0 HB VAL B 44 145.185 7.540 5.189 1.00 0.00 H new ATOM 0 HG11 VAL B 44 143.496 9.341 4.878 1.00 0.00 H new ATOM 0 HG12 VAL B 44 143.747 8.428 3.371 1.00 0.00 H new ATOM 0 HG13 VAL B 44 142.301 8.127 4.363 1.00 0.00 H new ATOM 0 HG21 VAL B 44 143.716 8.212 7.077 1.00 0.00 H new ATOM 0 HG22 VAL B 44 142.521 6.991 6.578 1.00 0.00 H new ATOM 0 HG23 VAL B 44 144.123 6.482 7.163 1.00 0.00 H new ATOM 2085 N VAL B 45 145.912 5.666 3.140 1.00 0.00 N ATOM 2086 CA VAL B 45 146.704 5.637 1.879 1.00 0.00 C ATOM 2087 C VAL B 45 146.382 4.338 1.145 1.00 0.00 C ATOM 2088 O VAL B 45 146.276 4.304 -0.065 1.00 0.00 O ATOM 2089 CB VAL B 45 148.197 5.688 2.206 1.00 0.00 C ATOM 2090 CG1 VAL B 45 149.007 5.565 0.914 1.00 0.00 C ATOM 2091 CG2 VAL B 45 148.523 7.017 2.893 1.00 0.00 C ATOM 0 H VAL B 45 146.442 5.448 3.984 1.00 0.00 H new ATOM 0 HA VAL B 45 146.453 6.495 1.256 1.00 0.00 H new ATOM 0 HB VAL B 45 148.453 4.864 2.872 1.00 0.00 H new ATOM 0 HG11 VAL B 45 150.071 5.601 1.147 1.00 0.00 H new ATOM 0 HG12 VAL B 45 148.774 4.618 0.427 1.00 0.00 H new ATOM 0 HG13 VAL B 45 148.754 6.388 0.246 1.00 0.00 H new ATOM 0 HG21 VAL B 45 149.587 7.054 3.127 1.00 0.00 H new ATOM 0 HG22 VAL B 45 148.268 7.842 2.228 1.00 0.00 H new ATOM 0 HG23 VAL B 45 147.946 7.102 3.814 1.00 0.00 H new ATOM 2101 N LEU B 46 146.185 3.278 1.874 1.00 0.00 N ATOM 2102 CA LEU B 46 145.826 1.989 1.228 1.00 0.00 C ATOM 2103 C LEU B 46 144.515 2.217 0.475 1.00 0.00 C ATOM 2104 O LEU B 46 144.300 1.704 -0.604 1.00 0.00 O ATOM 2105 CB LEU B 46 145.620 0.919 2.309 1.00 0.00 C ATOM 2106 CG LEU B 46 145.258 -0.441 1.676 1.00 0.00 C ATOM 2107 CD1 LEU B 46 146.500 -1.074 1.029 1.00 0.00 C ATOM 2108 CD2 LEU B 46 144.676 -1.380 2.756 1.00 0.00 C ATOM 0 H LEU B 46 146.257 3.249 2.891 1.00 0.00 H new ATOM 0 HA LEU B 46 146.612 1.654 0.551 1.00 0.00 H new ATOM 0 HB2 LEU B 46 146.528 0.818 2.904 1.00 0.00 H new ATOM 0 HB3 LEU B 46 144.827 1.231 2.989 1.00 0.00 H new ATOM 0 HG LEU B 46 144.508 -0.285 0.901 1.00 0.00 H new ATOM 0 HD11 LEU B 46 146.231 -2.033 0.586 1.00 0.00 H new ATOM 0 HD12 LEU B 46 146.884 -0.411 0.254 1.00 0.00 H new ATOM 0 HD13 LEU B 46 147.267 -1.227 1.788 1.00 0.00 H new ATOM 0 HD21 LEU B 46 144.422 -2.339 2.305 1.00 0.00 H new ATOM 0 HD22 LEU B 46 145.416 -1.533 3.542 1.00 0.00 H new ATOM 0 HD23 LEU B 46 143.780 -0.931 3.184 1.00 0.00 H new ATOM 2120 N GLY B 47 143.637 2.987 1.059 1.00 0.00 N ATOM 2121 CA GLY B 47 142.326 3.266 0.413 1.00 0.00 C ATOM 2122 C GLY B 47 142.548 3.906 -0.957 1.00 0.00 C ATOM 2123 O GLY B 47 141.883 3.575 -1.918 1.00 0.00 O ATOM 0 H GLY B 47 143.775 3.438 1.964 1.00 0.00 H new ATOM 0 HA2 GLY B 47 141.760 2.341 0.305 1.00 0.00 H new ATOM 0 HA3 GLY B 47 141.734 3.930 1.043 1.00 0.00 H new ATOM 2127 N GLN B 48 143.474 4.822 -1.064 1.00 0.00 N ATOM 2128 CA GLN B 48 143.721 5.467 -2.386 1.00 0.00 C ATOM 2129 C GLN B 48 144.127 4.387 -3.396 1.00 0.00 C ATOM 2130 O GLN B 48 143.690 4.386 -4.529 1.00 0.00 O ATOM 2131 CB GLN B 48 144.847 6.498 -2.244 1.00 0.00 C ATOM 2132 CG GLN B 48 145.038 7.254 -3.564 1.00 0.00 C ATOM 2133 CD GLN B 48 143.786 8.077 -3.873 1.00 0.00 C ATOM 2134 OE1 GLN B 48 143.310 8.818 -3.036 1.00 0.00 O ATOM 2135 NE2 GLN B 48 143.230 7.980 -5.049 1.00 0.00 N ATOM 0 H GLN B 48 144.065 5.149 -0.300 1.00 0.00 H new ATOM 0 HA GLN B 48 142.818 5.970 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN B 48 144.609 7.200 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN B 48 145.775 5.999 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN B 48 145.907 7.908 -3.497 1.00 0.00 H new ATOM 0 HG3 GLN B 48 145.231 6.549 -4.373 1.00 0.00 H new ATOM 0 HE21 GLN B 48 143.629 7.358 -5.752 1.00 0.00 H new ATOM 0 HE22 GLN B 48 142.396 8.526 -5.265 1.00 0.00 H new ATOM 2144 N PHE B 49 144.954 3.463 -2.984 1.00 0.00 N ATOM 2145 CA PHE B 49 145.390 2.369 -3.903 1.00 0.00 C ATOM 2146 C PHE B 49 144.155 1.579 -4.355 1.00 0.00 C ATOM 2147 O PHE B 49 144.032 1.191 -5.500 1.00 0.00 O ATOM 2148 CB PHE B 49 146.353 1.450 -3.146 1.00 0.00 C ATOM 2149 CG PHE B 49 146.827 0.333 -4.048 1.00 0.00 C ATOM 2150 CD1 PHE B 49 147.681 0.620 -5.118 1.00 0.00 C ATOM 2151 CD2 PHE B 49 146.429 -0.988 -3.803 1.00 0.00 C ATOM 2152 CE1 PHE B 49 148.139 -0.413 -5.947 1.00 0.00 C ATOM 2153 CE2 PHE B 49 146.884 -2.019 -4.631 1.00 0.00 C ATOM 2154 CZ PHE B 49 147.739 -1.733 -5.703 1.00 0.00 C ATOM 0 H PHE B 49 145.349 3.418 -2.045 1.00 0.00 H new ATOM 0 HA PHE B 49 145.893 2.780 -4.778 1.00 0.00 H new ATOM 0 HB2 PHE B 49 147.207 2.024 -2.786 1.00 0.00 H new ATOM 0 HB3 PHE B 49 145.856 1.034 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE B 49 147.988 1.638 -5.305 1.00 0.00 H new ATOM 0 HD2 PHE B 49 145.771 -1.210 -2.975 1.00 0.00 H new ATOM 0 HE1 PHE B 49 148.799 -0.192 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE B 49 146.576 -3.037 -4.444 1.00 0.00 H new ATOM 0 HZ PHE B 49 148.090 -2.530 -6.341 1.00 0.00 H new ATOM 2164 N LEU B 50 143.248 1.349 -3.456 1.00 0.00 N ATOM 2165 CA LEU B 50 142.018 0.588 -3.823 1.00 0.00 C ATOM 2166 C LEU B 50 141.177 1.446 -4.774 1.00 0.00 C ATOM 2167 O LEU B 50 140.582 0.952 -5.712 1.00 0.00 O ATOM 2168 CB LEU B 50 141.211 0.260 -2.562 1.00 0.00 C ATOM 2169 CG LEU B 50 142.045 -0.613 -1.611 1.00 0.00 C ATOM 2170 CD1 LEU B 50 141.230 -0.897 -0.345 1.00 0.00 C ATOM 2171 CD2 LEU B 50 142.417 -1.944 -2.294 1.00 0.00 C ATOM 0 H LEU B 50 143.300 1.652 -2.483 1.00 0.00 H new ATOM 0 HA LEU B 50 142.292 -0.347 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU B 50 140.918 1.181 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU B 50 140.293 -0.260 -2.834 1.00 0.00 H new ATOM 0 HG LEU B 50 142.962 -0.084 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU B 50 141.816 -1.516 0.334 1.00 0.00 H new ATOM 0 HD12 LEU B 50 140.981 0.044 0.146 1.00 0.00 H new ATOM 0 HD13 LEU B 50 140.312 -1.421 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU B 50 143.008 -2.552 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU B 50 141.508 -2.481 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU B 50 142.999 -1.741 -3.193 1.00 0.00 H new ATOM 2183 N VAL B 51 141.117 2.723 -4.532 1.00 0.00 N ATOM 2184 CA VAL B 51 140.312 3.624 -5.409 1.00 0.00 C ATOM 2185 C VAL B 51 140.935 3.702 -6.812 1.00 0.00 C ATOM 2186 O VAL B 51 140.249 3.917 -7.792 1.00 0.00 O ATOM 2187 CB VAL B 51 140.261 5.024 -4.788 1.00 0.00 C ATOM 2188 CG1 VAL B 51 139.647 6.017 -5.780 1.00 0.00 C ATOM 2189 CG2 VAL B 51 139.401 4.981 -3.524 1.00 0.00 C ATOM 0 H VAL B 51 141.593 3.188 -3.759 1.00 0.00 H new ATOM 0 HA VAL B 51 139.302 3.224 -5.498 1.00 0.00 H new ATOM 0 HB VAL B 51 141.274 5.344 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL B 51 139.615 7.009 -5.329 1.00 0.00 H new ATOM 0 HG12 VAL B 51 140.253 6.049 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL B 51 138.635 5.701 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL B 51 139.361 5.974 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL B 51 138.392 4.658 -3.781 1.00 0.00 H new ATOM 0 HG23 VAL B 51 139.836 4.280 -2.812 1.00 0.00 H new ATOM 2199 N LEU B 52 142.228 3.551 -6.915 1.00 0.00 N ATOM 2200 CA LEU B 52 142.889 3.646 -8.256 1.00 0.00 C ATOM 2201 C LEU B 52 142.846 2.292 -8.964 1.00 0.00 C ATOM 2202 O LEU B 52 143.501 2.094 -9.968 1.00 0.00 O ATOM 2203 CB LEU B 52 144.350 4.069 -8.078 1.00 0.00 C ATOM 2204 CG LEU B 52 144.429 5.486 -7.491 1.00 0.00 C ATOM 2205 CD1 LEU B 52 145.879 5.773 -7.099 1.00 0.00 C ATOM 2206 CD2 LEU B 52 143.961 6.528 -8.526 1.00 0.00 C ATOM 0 H LEU B 52 142.857 3.366 -6.133 1.00 0.00 H new ATOM 0 HA LEU B 52 142.358 4.384 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU B 52 144.861 3.367 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU B 52 144.864 4.037 -9.039 1.00 0.00 H new ATOM 0 HG LEU B 52 143.780 5.551 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU B 52 145.951 6.777 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU B 52 146.206 5.046 -6.356 1.00 0.00 H new ATOM 0 HD13 LEU B 52 146.515 5.702 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU B 52 144.024 7.526 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU B 52 144.598 6.475 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU B 52 142.929 6.321 -8.810 1.00 0.00 H new ATOM 2218 N LYS B 53 142.071 1.363 -8.482 1.00 0.00 N ATOM 2219 CA LYS B 53 141.991 0.043 -9.167 1.00 0.00 C ATOM 2220 C LYS B 53 143.400 -0.482 -9.472 1.00 0.00 C ATOM 2221 O LYS B 53 143.639 -1.072 -10.506 1.00 0.00 O ATOM 2222 CB LYS B 53 141.213 0.213 -10.473 1.00 0.00 C ATOM 2223 CG LYS B 53 139.769 0.608 -10.156 1.00 0.00 C ATOM 2224 CD LYS B 53 138.987 0.781 -11.460 1.00 0.00 C ATOM 2225 CE LYS B 53 137.543 1.175 -11.144 1.00 0.00 C ATOM 2226 NZ LYS B 53 136.869 0.058 -10.425 1.00 0.00 N ATOM 0 H LYS B 53 141.492 1.459 -7.648 1.00 0.00 H new ATOM 0 HA LYS B 53 141.485 -0.673 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS B 53 141.683 0.977 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS B 53 141.231 -0.716 -11.043 1.00 0.00 H new ATOM 0 HG2 LYS B 53 139.299 -0.157 -9.537 1.00 0.00 H new ATOM 0 HG3 LYS B 53 139.752 1.536 -9.584 1.00 0.00 H new ATOM 0 HD2 LYS B 53 139.456 1.546 -12.078 1.00 0.00 H new ATOM 0 HD3 LYS B 53 139.005 -0.147 -12.032 1.00 0.00 H new ATOM 0 HE2 LYS B 53 137.527 2.077 -10.533 1.00 0.00 H new ATOM 0 HE3 LYS B 53 137.007 1.404 -12.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 135.861 0.283 -10.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 136.962 -0.817 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 137.313 -0.073 -9.493 1.00 0.00 H new ATOM 2240 N LYS B 54 144.329 -0.274 -8.570 1.00 0.00 N ATOM 2241 CA LYS B 54 145.732 -0.761 -8.763 1.00 0.00 C ATOM 2242 C LYS B 54 146.356 -0.140 -10.025 1.00 0.00 C ATOM 2243 O LYS B 54 147.330 -0.647 -10.544 1.00 0.00 O ATOM 2244 CB LYS B 54 145.743 -2.290 -8.890 1.00 0.00 C ATOM 2245 CG LYS B 54 145.047 -2.911 -7.676 1.00 0.00 C ATOM 2246 CD LYS B 54 145.163 -4.435 -7.746 1.00 0.00 C ATOM 2247 CE LYS B 54 144.453 -5.058 -6.543 1.00 0.00 C ATOM 2248 NZ LYS B 54 144.486 -6.542 -6.662 1.00 0.00 N ATOM 0 H LYS B 54 144.171 0.222 -7.693 1.00 0.00 H new ATOM 0 HA LYS B 54 146.320 -0.461 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS B 54 145.236 -2.593 -9.806 1.00 0.00 H new ATOM 0 HB3 LYS B 54 146.769 -2.652 -8.958 1.00 0.00 H new ATOM 0 HG2 LYS B 54 145.501 -2.543 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS B 54 143.998 -2.616 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS B 54 144.721 -4.802 -8.672 1.00 0.00 H new ATOM 0 HD3 LYS B 54 146.212 -4.730 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS B 54 144.939 -4.746 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS B 54 143.421 -4.709 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 144.003 -6.967 -5.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 144.004 -6.831 -7.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 145.474 -6.866 -6.688 1.00 0.00 H new ATOM 2262 N ASP B 55 145.837 0.951 -10.519 1.00 0.00 N ATOM 2263 CA ASP B 55 146.459 1.568 -11.732 1.00 0.00 C ATOM 2264 C ASP B 55 147.837 2.130 -11.345 1.00 0.00 C ATOM 2265 O ASP B 55 147.941 3.123 -10.654 1.00 0.00 O ATOM 2266 CB ASP B 55 145.563 2.697 -12.243 1.00 0.00 C ATOM 2267 CG ASP B 55 144.348 2.104 -12.961 1.00 0.00 C ATOM 2268 OD1 ASP B 55 144.519 1.115 -13.656 1.00 0.00 O ATOM 2269 OD2 ASP B 55 143.268 2.646 -12.801 1.00 0.00 O ATOM 0 H ASP B 55 145.022 1.438 -10.145 1.00 0.00 H new ATOM 0 HA ASP B 55 146.573 0.822 -12.518 1.00 0.00 H new ATOM 0 HB2 ASP B 55 145.237 3.321 -11.411 1.00 0.00 H new ATOM 0 HB3 ASP B 55 146.122 3.339 -12.923 1.00 0.00 H new ATOM 2274 N GLU B 56 148.894 1.483 -11.765 1.00 0.00 N ATOM 2275 CA GLU B 56 150.268 1.953 -11.406 1.00 0.00 C ATOM 2276 C GLU B 56 150.586 3.326 -12.013 1.00 0.00 C ATOM 2277 O GLU B 56 151.205 4.157 -11.383 1.00 0.00 O ATOM 2278 CB GLU B 56 151.293 0.934 -11.915 1.00 0.00 C ATOM 2279 CG GLU B 56 152.693 1.330 -11.435 1.00 0.00 C ATOM 2280 CD GLU B 56 153.703 0.271 -11.879 1.00 0.00 C ATOM 2281 OE1 GLU B 56 153.281 -0.721 -12.449 1.00 0.00 O ATOM 2282 OE2 GLU B 56 154.882 0.468 -11.638 1.00 0.00 O ATOM 0 H GLU B 56 148.865 0.644 -12.345 1.00 0.00 H new ATOM 0 HA GLU B 56 150.316 2.048 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU B 56 151.041 -0.062 -11.552 1.00 0.00 H new ATOM 0 HB3 GLU B 56 151.269 0.892 -13.004 1.00 0.00 H new ATOM 0 HG2 GLU B 56 152.967 2.303 -11.843 1.00 0.00 H new ATOM 0 HG3 GLU B 56 152.703 1.425 -10.349 1.00 0.00 H new ATOM 2289 N ASP B 57 150.188 3.569 -13.230 1.00 0.00 N ATOM 2290 CA ASP B 57 150.496 4.887 -13.869 1.00 0.00 C ATOM 2291 C ASP B 57 149.724 6.003 -13.166 1.00 0.00 C ATOM 2292 O ASP B 57 150.241 7.078 -12.934 1.00 0.00 O ATOM 2293 CB ASP B 57 150.086 4.833 -15.343 1.00 0.00 C ATOM 2294 CG ASP B 57 151.034 3.901 -16.100 1.00 0.00 C ATOM 2295 OD1 ASP B 57 152.177 3.790 -15.688 1.00 0.00 O ATOM 2296 OD2 ASP B 57 150.601 3.313 -17.076 1.00 0.00 O ATOM 0 H ASP B 57 149.664 2.916 -13.812 1.00 0.00 H new ATOM 0 HA ASP B 57 151.564 5.090 -13.786 1.00 0.00 H new ATOM 0 HB2 ASP B 57 149.060 4.478 -15.434 1.00 0.00 H new ATOM 0 HB3 ASP B 57 150.117 5.832 -15.777 1.00 0.00 H new ATOM 2301 N LEU B 58 148.507 5.751 -12.814 1.00 0.00 N ATOM 2302 CA LEU B 58 147.720 6.799 -12.107 1.00 0.00 C ATOM 2303 C LEU B 58 148.285 6.986 -10.698 1.00 0.00 C ATOM 2304 O LEU B 58 148.373 8.087 -10.192 1.00 0.00 O ATOM 2305 CB LEU B 58 146.245 6.389 -12.023 1.00 0.00 C ATOM 2306 CG LEU B 58 145.633 6.293 -13.430 1.00 0.00 C ATOM 2307 CD1 LEU B 58 144.179 5.824 -13.309 1.00 0.00 C ATOM 2308 CD2 LEU B 58 145.675 7.670 -14.126 1.00 0.00 C ATOM 0 H LEU B 58 148.018 4.872 -12.980 1.00 0.00 H new ATOM 0 HA LEU B 58 147.791 7.736 -12.660 1.00 0.00 H new ATOM 0 HB2 LEU B 58 146.157 5.429 -11.515 1.00 0.00 H new ATOM 0 HB3 LEU B 58 145.692 7.116 -11.428 1.00 0.00 H new ATOM 0 HG LEU B 58 146.207 5.582 -14.025 1.00 0.00 H new ATOM 0 HD11 LEU B 58 143.736 5.753 -14.302 1.00 0.00 H new ATOM 0 HD12 LEU B 58 144.151 4.846 -12.828 1.00 0.00 H new ATOM 0 HD13 LEU B 58 143.615 6.539 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU B 58 145.239 7.588 -15.121 1.00 0.00 H new ATOM 0 HD22 LEU B 58 145.107 8.392 -13.539 1.00 0.00 H new ATOM 0 HD23 LEU B 58 146.709 8.004 -14.210 1.00 0.00 H new ATOM 2320 N PHE B 59 148.689 5.915 -10.074 1.00 0.00 N ATOM 2321 CA PHE B 59 149.275 6.014 -8.706 1.00 0.00 C ATOM 2322 C PHE B 59 150.599 6.781 -8.760 1.00 0.00 C ATOM 2323 O PHE B 59 150.896 7.590 -7.904 1.00 0.00 O ATOM 2324 CB PHE B 59 149.507 4.603 -8.160 1.00 0.00 C ATOM 2325 CG PHE B 59 150.242 4.669 -6.840 1.00 0.00 C ATOM 2326 CD1 PHE B 59 149.559 5.043 -5.676 1.00 0.00 C ATOM 2327 CD2 PHE B 59 151.602 4.339 -6.779 1.00 0.00 C ATOM 2328 CE1 PHE B 59 150.237 5.085 -4.449 1.00 0.00 C ATOM 2329 CE2 PHE B 59 152.280 4.383 -5.555 1.00 0.00 C ATOM 2330 CZ PHE B 59 151.597 4.755 -4.390 1.00 0.00 C ATOM 0 H PHE B 59 148.639 4.970 -10.454 1.00 0.00 H new ATOM 0 HA PHE B 59 148.589 6.550 -8.050 1.00 0.00 H new ATOM 0 HB2 PHE B 59 148.552 4.095 -8.028 1.00 0.00 H new ATOM 0 HB3 PHE B 59 150.083 4.018 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE B 59 148.511 5.299 -5.723 1.00 0.00 H new ATOM 0 HD2 PHE B 59 152.128 4.050 -7.677 1.00 0.00 H new ATOM 0 HE1 PHE B 59 149.711 5.372 -3.550 1.00 0.00 H new ATOM 0 HE2 PHE B 59 153.329 4.130 -5.509 1.00 0.00 H new ATOM 0 HZ PHE B 59 152.120 4.787 -3.445 1.00 0.00 H new ATOM 2340 N ARG B 60 151.408 6.515 -9.753 1.00 0.00 N ATOM 2341 CA ARG B 60 152.725 7.209 -9.852 1.00 0.00 C ATOM 2342 C ARG B 60 152.538 8.724 -9.957 1.00 0.00 C ATOM 2343 O ARG B 60 153.160 9.477 -9.235 1.00 0.00 O ATOM 2344 CB ARG B 60 153.465 6.708 -11.100 1.00 0.00 C ATOM 2345 CG ARG B 60 154.031 5.307 -10.852 1.00 0.00 C ATOM 2346 CD ARG B 60 154.537 4.731 -12.176 1.00 0.00 C ATOM 2347 NE ARG B 60 155.246 3.428 -11.939 1.00 0.00 N ATOM 2348 CZ ARG B 60 156.321 3.350 -11.201 1.00 0.00 C ATOM 2349 NH1 ARG B 60 156.893 4.430 -10.745 1.00 0.00 N ATOM 2350 NH2 ARG B 60 156.851 2.184 -10.954 1.00 0.00 N ATOM 0 H ARG B 60 151.213 5.847 -10.499 1.00 0.00 H new ATOM 0 HA ARG B 60 153.301 6.990 -8.953 1.00 0.00 H new ATOM 0 HB2 ARG B 60 152.785 6.688 -11.952 1.00 0.00 H new ATOM 0 HB3 ARG B 60 154.273 7.395 -11.353 1.00 0.00 H new ATOM 0 HG2 ARG B 60 154.843 5.352 -10.127 1.00 0.00 H new ATOM 0 HG3 ARG B 60 153.262 4.660 -10.430 1.00 0.00 H new ATOM 0 HD2 ARG B 60 153.700 4.579 -12.858 1.00 0.00 H new ATOM 0 HD3 ARG B 60 155.213 5.439 -12.654 1.00 0.00 H new ATOM 0 HE ARG B 60 154.877 2.579 -12.367 1.00 0.00 H new ATOM 0 HH11 ARG B 60 156.501 5.346 -10.964 1.00 0.00 H new ATOM 0 HH12 ARG B 60 157.732 4.359 -10.170 1.00 0.00 H new ATOM 0 HH21 ARG B 60 156.426 1.339 -11.336 1.00 0.00 H new ATOM 0 HH22 ARG B 60 157.690 2.117 -10.378 1.00 0.00 H new ATOM 2364 N GLU B 61 151.698 9.186 -10.842 1.00 0.00 N ATOM 2365 CA GLU B 61 151.501 10.657 -10.967 1.00 0.00 C ATOM 2366 C GLU B 61 150.905 11.196 -9.666 1.00 0.00 C ATOM 2367 O GLU B 61 151.250 12.269 -9.212 1.00 0.00 O ATOM 2368 CB GLU B 61 150.540 10.943 -12.120 1.00 0.00 C ATOM 2369 CG GLU B 61 151.217 10.595 -13.446 1.00 0.00 C ATOM 2370 CD GLU B 61 150.227 10.809 -14.591 1.00 0.00 C ATOM 2371 OE1 GLU B 61 149.129 11.265 -14.320 1.00 0.00 O ATOM 2372 OE2 GLU B 61 150.582 10.507 -15.718 1.00 0.00 O ATOM 0 H GLU B 61 151.144 8.614 -11.479 1.00 0.00 H new ATOM 0 HA GLU B 61 152.458 11.141 -11.162 1.00 0.00 H new ATOM 0 HB2 GLU B 61 149.628 10.358 -12.001 1.00 0.00 H new ATOM 0 HB3 GLU B 61 150.249 11.993 -12.113 1.00 0.00 H new ATOM 0 HG2 GLU B 61 152.099 11.218 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU B 61 151.557 9.560 -13.433 1.00 0.00 H new ATOM 2379 N TRP B 62 150.017 10.462 -9.066 1.00 0.00 N ATOM 2380 CA TRP B 62 149.403 10.936 -7.796 1.00 0.00 C ATOM 2381 C TRP B 62 150.464 11.073 -6.700 1.00 0.00 C ATOM 2382 O TRP B 62 150.522 12.062 -6.001 1.00 0.00 O ATOM 2383 CB TRP B 62 148.336 9.932 -7.332 1.00 0.00 C ATOM 2384 CG TRP B 62 147.886 10.280 -5.942 1.00 0.00 C ATOM 2385 CD1 TRP B 62 146.942 11.199 -5.637 1.00 0.00 C ATOM 2386 CD2 TRP B 62 148.364 9.743 -4.671 1.00 0.00 C ATOM 2387 NE1 TRP B 62 146.802 11.256 -4.261 1.00 0.00 N ATOM 2388 CE2 TRP B 62 147.658 10.377 -3.621 1.00 0.00 C ATOM 2389 CE3 TRP B 62 149.330 8.773 -4.331 1.00 0.00 C ATOM 2390 CZ2 TRP B 62 147.902 10.062 -2.281 1.00 0.00 C ATOM 2391 CZ3 TRP B 62 149.574 8.456 -2.984 1.00 0.00 C ATOM 2392 CH2 TRP B 62 148.862 9.098 -1.963 1.00 0.00 C ATOM 0 H TRP B 62 149.688 9.555 -9.397 1.00 0.00 H new ATOM 0 HA TRP B 62 148.949 11.910 -7.977 1.00 0.00 H new ATOM 0 HB2 TRP B 62 147.486 9.948 -8.015 1.00 0.00 H new ATOM 0 HB3 TRP B 62 148.742 8.920 -7.351 1.00 0.00 H new ATOM 0 HD1 TRP B 62 146.388 11.791 -6.350 1.00 0.00 H new ATOM 0 HE1 TRP B 62 146.147 11.871 -3.778 1.00 0.00 H new ATOM 0 HE3 TRP B 62 149.885 8.271 -5.110 1.00 0.00 H new ATOM 0 HZ2 TRP B 62 147.352 10.561 -1.497 1.00 0.00 H new ATOM 0 HZ3 TRP B 62 150.316 7.712 -2.734 1.00 0.00 H new ATOM 0 HH2 TRP B 62 149.055 8.848 -0.930 1.00 0.00 H new ATOM 2403 N LEU B 63 151.290 10.081 -6.535 1.00 0.00 N ATOM 2404 CA LEU B 63 152.325 10.152 -5.468 1.00 0.00 C ATOM 2405 C LEU B 63 153.377 11.210 -5.813 1.00 0.00 C ATOM 2406 O LEU B 63 153.723 12.039 -4.997 1.00 0.00 O ATOM 2407 CB LEU B 63 152.991 8.777 -5.329 1.00 0.00 C ATOM 2408 CG LEU B 63 154.059 8.807 -4.226 1.00 0.00 C ATOM 2409 CD1 LEU B 63 153.415 9.147 -2.870 1.00 0.00 C ATOM 2410 CD2 LEU B 63 154.728 7.429 -4.149 1.00 0.00 C ATOM 0 H LEU B 63 151.294 9.226 -7.091 1.00 0.00 H new ATOM 0 HA LEU B 63 151.854 10.432 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU B 63 152.239 8.024 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU B 63 153.446 8.489 -6.277 1.00 0.00 H new ATOM 0 HG LEU B 63 154.801 9.570 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU B 63 154.183 9.165 -2.097 1.00 0.00 H new ATOM 0 HD12 LEU B 63 152.937 10.125 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU B 63 152.668 8.392 -2.622 1.00 0.00 H new ATOM 0 HD21 LEU B 63 155.489 7.437 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU B 63 153.978 6.673 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU B 63 155.193 7.196 -5.107 1.00 0.00 H new ATOM 2422 N LYS B 64 153.894 11.188 -7.010 1.00 0.00 N ATOM 2423 CA LYS B 64 154.928 12.193 -7.392 1.00 0.00 C ATOM 2424 C LYS B 64 154.343 13.599 -7.269 1.00 0.00 C ATOM 2425 O LYS B 64 154.937 14.486 -6.691 1.00 0.00 O ATOM 2426 CB LYS B 64 155.380 11.959 -8.833 1.00 0.00 C ATOM 2427 CG LYS B 64 156.537 12.908 -9.156 1.00 0.00 C ATOM 2428 CD LYS B 64 157.106 12.583 -10.542 1.00 0.00 C ATOM 2429 CE LYS B 64 156.081 12.933 -11.627 1.00 0.00 C ATOM 2430 NZ LYS B 64 156.779 13.085 -12.935 1.00 0.00 N ATOM 0 H LYS B 64 153.647 10.520 -7.740 1.00 0.00 H new ATOM 0 HA LYS B 64 155.785 12.090 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS B 64 155.695 10.924 -8.965 1.00 0.00 H new ATOM 0 HB3 LYS B 64 154.551 12.130 -9.520 1.00 0.00 H new ATOM 0 HG2 LYS B 64 156.190 13.941 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS B 64 157.318 12.814 -8.401 1.00 0.00 H new ATOM 0 HD2 LYS B 64 158.027 13.143 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS B 64 157.362 11.525 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS B 64 155.325 12.151 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS B 64 155.563 13.857 -11.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 156.086 13.323 -13.673 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 157.485 13.846 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 157.254 12.193 -13.181 1.00 0.00 H new ATOM 2444 N ASP B 65 153.174 13.800 -7.812 1.00 0.00 N ATOM 2445 CA ASP B 65 152.527 15.139 -7.738 1.00 0.00 C ATOM 2446 C ASP B 65 152.150 15.440 -6.290 1.00 0.00 C ATOM 2447 O ASP B 65 152.126 16.578 -5.866 1.00 0.00 O ATOM 2448 CB ASP B 65 151.264 15.147 -8.604 1.00 0.00 C ATOM 2449 CG ASP B 65 150.723 16.574 -8.706 1.00 0.00 C ATOM 2450 OD1 ASP B 65 150.826 17.299 -7.730 1.00 0.00 O ATOM 2451 OD2 ASP B 65 150.219 16.921 -9.762 1.00 0.00 O ATOM 0 H ASP B 65 152.636 13.089 -8.307 1.00 0.00 H new ATOM 0 HA ASP B 65 153.221 15.897 -8.101 1.00 0.00 H new ATOM 0 HB2 ASP B 65 151.490 14.761 -9.598 1.00 0.00 H new ATOM 0 HB3 ASP B 65 150.509 14.491 -8.171 1.00 0.00 H new ATOM 2456 N THR B 66 151.822 14.427 -5.536 1.00 0.00 N ATOM 2457 CA THR B 66 151.407 14.647 -4.125 1.00 0.00 C ATOM 2458 C THR B 66 152.621 14.864 -3.215 1.00 0.00 C ATOM 2459 O THR B 66 152.532 15.603 -2.253 1.00 0.00 O ATOM 2460 CB THR B 66 150.609 13.432 -3.638 1.00 0.00 C ATOM 2461 OG1 THR B 66 149.402 13.333 -4.383 1.00 0.00 O ATOM 2462 CG2 THR B 66 150.275 13.596 -2.157 1.00 0.00 C ATOM 0 H THR B 66 151.824 13.453 -5.839 1.00 0.00 H new ATOM 0 HA THR B 66 150.789 15.544 -4.083 1.00 0.00 H new ATOM 0 HB THR B 66 151.204 12.529 -3.777 1.00 0.00 H new ATOM 0 HG1 THR B 66 149.579 12.879 -5.234 1.00 0.00 H new ATOM 0 HG21 THR B 66 149.708 12.731 -1.814 1.00 0.00 H new ATOM 0 HG22 THR B 66 151.198 13.676 -1.583 1.00 0.00 H new ATOM 0 HG23 THR B 66 149.681 14.499 -2.016 1.00 0.00 H new ATOM 2470 N CYS B 67 153.741 14.215 -3.460 1.00 0.00 N ATOM 2471 CA CYS B 67 154.925 14.382 -2.551 1.00 0.00 C ATOM 2472 C CYS B 67 156.220 14.622 -3.331 1.00 0.00 C ATOM 2473 O CYS B 67 157.048 15.414 -2.932 1.00 0.00 O ATOM 2474 CB CYS B 67 155.077 13.116 -1.703 1.00 0.00 C ATOM 2475 SG CYS B 67 155.678 11.759 -2.741 1.00 0.00 S ATOM 0 H CYS B 67 153.885 13.581 -4.246 1.00 0.00 H new ATOM 0 HA CYS B 67 154.749 15.256 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS B 67 155.773 13.296 -0.884 1.00 0.00 H new ATOM 0 HB3 CYS B 67 154.120 12.849 -1.255 1.00 0.00 H new ATOM 0 HG CYS B 67 154.967 11.696 -3.828 1.00 0.00 H new ATOM 2481 N GLY B 68 156.410 13.934 -4.435 1.00 0.00 N ATOM 2482 CA GLY B 68 157.664 14.113 -5.242 1.00 0.00 C ATOM 2483 C GLY B 68 158.491 12.824 -5.196 1.00 0.00 C ATOM 2484 O GLY B 68 159.665 12.822 -5.514 1.00 0.00 O ATOM 0 H GLY B 68 155.749 13.255 -4.813 1.00 0.00 H new ATOM 0 HA2 GLY B 68 157.413 14.360 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY B 68 158.247 14.946 -4.848 1.00 0.00 H new ATOM 2488 N ALA B 69 157.896 11.726 -4.813 1.00 0.00 N ATOM 2489 CA ALA B 69 158.652 10.440 -4.758 1.00 0.00 C ATOM 2490 C ALA B 69 159.348 10.190 -6.100 1.00 0.00 C ATOM 2491 O ALA B 69 158.894 10.633 -7.136 1.00 0.00 O ATOM 2492 CB ALA B 69 157.677 9.297 -4.471 1.00 0.00 C ATOM 0 H ALA B 69 156.917 11.664 -4.535 1.00 0.00 H new ATOM 0 HA ALA B 69 159.402 10.493 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA B 69 158.223 8.355 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA B 69 157.182 9.472 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA B 69 156.930 9.249 -5.263 1.00 0.00 H new ATOM 2498 N ASN B 70 160.446 9.477 -6.093 1.00 0.00 N ATOM 2499 CA ASN B 70 161.172 9.198 -7.370 1.00 0.00 C ATOM 2500 C ASN B 70 160.677 7.875 -7.969 1.00 0.00 C ATOM 2501 O ASN B 70 159.902 7.159 -7.367 1.00 0.00 O ATOM 2502 CB ASN B 70 162.676 9.108 -7.091 1.00 0.00 C ATOM 2503 CG ASN B 70 163.176 10.457 -6.564 1.00 0.00 C ATOM 2504 OD1 ASN B 70 162.909 11.487 -7.150 1.00 0.00 O ATOM 2505 ND2 ASN B 70 163.896 10.495 -5.476 1.00 0.00 N ATOM 0 H ASN B 70 160.872 9.076 -5.257 1.00 0.00 H new ATOM 0 HA ASN B 70 160.982 10.004 -8.079 1.00 0.00 H new ATOM 0 HB2 ASN B 70 162.876 8.323 -6.361 1.00 0.00 H new ATOM 0 HB3 ASN B 70 163.211 8.840 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN B 70 164.234 11.389 -5.119 1.00 0.00 H new ATOM 0 HD22 ASN B 70 164.121 9.631 -4.983 1.00 0.00 H new ATOM 2512 N ALA B 71 161.109 7.560 -9.161 1.00 0.00 N ATOM 2513 CA ALA B 71 160.659 6.297 -9.826 1.00 0.00 C ATOM 2514 C ALA B 71 161.047 5.070 -8.994 1.00 0.00 C ATOM 2515 O ALA B 71 160.346 4.078 -8.982 1.00 0.00 O ATOM 2516 CB ALA B 71 161.309 6.190 -11.207 1.00 0.00 C ATOM 0 H ALA B 71 161.758 8.125 -9.708 1.00 0.00 H new ATOM 0 HA ALA B 71 159.573 6.327 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA B 71 160.982 5.271 -11.693 1.00 0.00 H new ATOM 0 HB2 ALA B 71 161.015 7.046 -11.815 1.00 0.00 H new ATOM 0 HB3 ALA B 71 162.394 6.177 -11.099 1.00 0.00 H new ATOM 2522 N LYS B 72 162.155 5.113 -8.306 1.00 0.00 N ATOM 2523 CA LYS B 72 162.561 3.926 -7.498 1.00 0.00 C ATOM 2524 C LYS B 72 161.627 3.770 -6.300 1.00 0.00 C ATOM 2525 O LYS B 72 161.248 2.677 -5.930 1.00 0.00 O ATOM 2526 CB LYS B 72 164.003 4.104 -7.019 1.00 0.00 C ATOM 2527 CG LYS B 72 164.952 3.987 -8.214 1.00 0.00 C ATOM 2528 CD LYS B 72 166.328 4.539 -7.836 1.00 0.00 C ATOM 2529 CE LYS B 72 166.894 3.753 -6.651 1.00 0.00 C ATOM 2530 NZ LYS B 72 168.357 4.013 -6.541 1.00 0.00 N ATOM 0 H LYS B 72 162.791 5.909 -8.267 1.00 0.00 H new ATOM 0 HA LYS B 72 162.496 3.029 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS B 72 164.122 5.076 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS B 72 164.246 3.348 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS B 72 165.039 2.945 -8.521 1.00 0.00 H new ATOM 0 HG3 LYS B 72 164.550 4.537 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS B 72 167.005 4.468 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS B 72 166.248 5.595 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS B 72 166.390 4.048 -5.730 1.00 0.00 H new ATOM 0 HE3 LYS B 72 166.712 2.687 -6.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 168.745 3.480 -5.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 168.830 3.711 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 168.519 5.030 -6.393 1.00 0.00 H new ATOM 2544 N GLN B 73 161.263 4.858 -5.686 1.00 0.00 N ATOM 2545 CA GLN B 73 160.366 4.789 -4.503 1.00 0.00 C ATOM 2546 C GLN B 73 158.986 4.283 -4.913 1.00 0.00 C ATOM 2547 O GLN B 73 158.357 3.519 -4.206 1.00 0.00 O ATOM 2548 CB GLN B 73 160.239 6.183 -3.889 1.00 0.00 C ATOM 2549 CG GLN B 73 161.564 6.577 -3.235 1.00 0.00 C ATOM 2550 CD GLN B 73 161.508 8.049 -2.826 1.00 0.00 C ATOM 2551 OE1 GLN B 73 160.470 8.543 -2.432 1.00 0.00 O ATOM 2552 NE2 GLN B 73 162.588 8.777 -2.907 1.00 0.00 N ATOM 0 H GLN B 73 161.551 5.799 -5.955 1.00 0.00 H new ATOM 0 HA GLN B 73 160.789 4.099 -3.773 1.00 0.00 H new ATOM 0 HB2 GLN B 73 159.972 6.907 -4.658 1.00 0.00 H new ATOM 0 HB3 GLN B 73 159.439 6.194 -3.149 1.00 0.00 H new ATOM 0 HG2 GLN B 73 161.752 5.952 -2.362 1.00 0.00 H new ATOM 0 HG3 GLN B 73 162.388 6.412 -3.929 1.00 0.00 H new ATOM 0 HE21 GLN B 73 163.459 8.362 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN B 73 162.561 9.761 -2.640 1.00 0.00 H new ATOM 2561 N SER B 74 158.498 4.714 -6.044 1.00 0.00 N ATOM 2562 CA SER B 74 157.153 4.273 -6.492 1.00 0.00 C ATOM 2563 C SER B 74 157.137 2.764 -6.740 1.00 0.00 C ATOM 2564 O SER B 74 156.177 2.091 -6.419 1.00 0.00 O ATOM 2565 CB SER B 74 156.791 4.999 -7.787 1.00 0.00 C ATOM 2566 OG SER B 74 156.561 6.374 -7.507 1.00 0.00 O ATOM 0 H SER B 74 158.977 5.355 -6.677 1.00 0.00 H new ATOM 0 HA SER B 74 156.428 4.509 -5.713 1.00 0.00 H new ATOM 0 HB2 SER B 74 157.597 4.894 -8.514 1.00 0.00 H new ATOM 0 HB3 SER B 74 155.901 4.553 -8.231 1.00 0.00 H new ATOM 0 HG SER B 74 156.330 6.843 -8.336 1.00 0.00 H new ATOM 2572 N ARG B 75 158.176 2.212 -7.315 1.00 0.00 N ATOM 2573 CA ARG B 75 158.177 0.748 -7.577 1.00 0.00 C ATOM 2574 C ARG B 75 158.068 0.000 -6.251 1.00 0.00 C ATOM 2575 O ARG B 75 157.420 -1.026 -6.166 1.00 0.00 O ATOM 2576 CB ARG B 75 159.465 0.342 -8.296 1.00 0.00 C ATOM 2577 CG ARG B 75 159.448 0.892 -9.725 1.00 0.00 C ATOM 2578 CD ARG B 75 160.726 0.466 -10.449 1.00 0.00 C ATOM 2579 NE ARG B 75 160.832 1.189 -11.748 1.00 0.00 N ATOM 2580 CZ ARG B 75 161.974 1.225 -12.379 1.00 0.00 C ATOM 2581 NH1 ARG B 75 163.019 0.637 -11.864 1.00 0.00 N ATOM 2582 NH2 ARG B 75 162.072 1.851 -13.521 1.00 0.00 N ATOM 0 H ARG B 75 159.015 2.710 -7.611 1.00 0.00 H new ATOM 0 HA ARG B 75 157.327 0.495 -8.212 1.00 0.00 H new ATOM 0 HB2 ARG B 75 160.331 0.726 -7.757 1.00 0.00 H new ATOM 0 HB3 ARG B 75 159.557 -0.744 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG B 75 158.573 0.520 -10.259 1.00 0.00 H new ATOM 0 HG3 ARG B 75 159.372 1.979 -9.707 1.00 0.00 H new ATOM 0 HD2 ARG B 75 161.596 0.683 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG B 75 160.717 -0.610 -10.621 1.00 0.00 H new ATOM 0 HE ARG B 75 160.015 1.654 -12.143 1.00 0.00 H new ATOM 0 HH11 ARG B 75 162.942 0.151 -10.971 1.00 0.00 H new ATOM 0 HH12 ARG B 75 163.913 0.663 -12.355 1.00 0.00 H new ATOM 0 HH21 ARG B 75 161.255 2.313 -13.921 1.00 0.00 H new ATOM 0 HH22 ARG B 75 162.965 1.878 -14.013 1.00 0.00 H new ATOM 2596 N ASP B 76 158.712 0.475 -5.219 1.00 0.00 N ATOM 2597 CA ASP B 76 158.670 -0.226 -3.908 1.00 0.00 C ATOM 2598 C ASP B 76 157.284 -0.112 -3.282 1.00 0.00 C ATOM 2599 O ASP B 76 156.779 -1.057 -2.710 1.00 0.00 O ATOM 2600 CB ASP B 76 159.704 0.405 -2.973 1.00 0.00 C ATOM 2601 CG ASP B 76 161.113 0.053 -3.457 1.00 0.00 C ATOM 2602 OD1 ASP B 76 161.241 -0.918 -4.186 1.00 0.00 O ATOM 2603 OD2 ASP B 76 162.037 0.762 -3.096 1.00 0.00 O ATOM 0 H ASP B 76 159.271 1.328 -5.231 1.00 0.00 H new ATOM 0 HA ASP B 76 158.896 -1.281 -4.062 1.00 0.00 H new ATOM 0 HB2 ASP B 76 159.576 1.487 -2.949 1.00 0.00 H new ATOM 0 HB3 ASP B 76 159.557 0.044 -1.955 1.00 0.00 H new ATOM 2608 N CYS B 77 156.653 1.025 -3.382 1.00 0.00 N ATOM 2609 CA CYS B 77 155.297 1.164 -2.788 1.00 0.00 C ATOM 2610 C CYS B 77 154.306 0.308 -3.578 1.00 0.00 C ATOM 2611 O CYS B 77 153.427 -0.311 -3.012 1.00 0.00 O ATOM 2612 CB CYS B 77 154.864 2.630 -2.846 1.00 0.00 C ATOM 2613 SG CYS B 77 155.856 3.599 -1.682 1.00 0.00 S ATOM 0 H CYS B 77 157.016 1.858 -3.846 1.00 0.00 H new ATOM 0 HA CYS B 77 155.318 0.832 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS B 77 154.989 3.017 -3.857 1.00 0.00 H new ATOM 0 HB3 CYS B 77 153.806 2.718 -2.599 1.00 0.00 H new ATOM 0 HG CYS B 77 156.132 2.874 -0.639 1.00 0.00 H new ATOM 2619 N PHE B 78 154.420 0.277 -4.879 1.00 0.00 N ATOM 2620 CA PHE B 78 153.459 -0.531 -5.679 1.00 0.00 C ATOM 2621 C PHE B 78 153.543 -2.002 -5.269 1.00 0.00 C ATOM 2622 O PHE B 78 152.572 -2.591 -4.837 1.00 0.00 O ATOM 2623 CB PHE B 78 153.796 -0.386 -7.163 1.00 0.00 C ATOM 2624 CG PHE B 78 152.844 -1.218 -7.988 1.00 0.00 C ATOM 2625 CD1 PHE B 78 151.629 -0.673 -8.419 1.00 0.00 C ATOM 2626 CD2 PHE B 78 153.183 -2.532 -8.332 1.00 0.00 C ATOM 2627 CE1 PHE B 78 150.752 -1.443 -9.192 1.00 0.00 C ATOM 2628 CE2 PHE B 78 152.307 -3.302 -9.105 1.00 0.00 C ATOM 2629 CZ PHE B 78 151.090 -2.757 -9.535 1.00 0.00 C ATOM 0 H PHE B 78 155.131 0.772 -5.417 1.00 0.00 H new ATOM 0 HA PHE B 78 152.445 -0.174 -5.497 1.00 0.00 H new ATOM 0 HB2 PHE B 78 153.729 0.661 -7.460 1.00 0.00 H new ATOM 0 HB3 PHE B 78 154.823 -0.704 -7.345 1.00 0.00 H new ATOM 0 HD1 PHE B 78 151.368 0.341 -8.155 1.00 0.00 H new ATOM 0 HD2 PHE B 78 154.121 -2.952 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE B 78 149.814 -1.023 -9.524 1.00 0.00 H new ATOM 0 HE2 PHE B 78 152.569 -4.316 -9.370 1.00 0.00 H new ATOM 0 HZ PHE B 78 150.413 -3.351 -10.131 1.00 0.00 H new ATOM 2639 N GLY B 79 154.693 -2.601 -5.408 1.00 0.00 N ATOM 2640 CA GLY B 79 154.841 -4.037 -5.037 1.00 0.00 C ATOM 2641 C GLY B 79 154.565 -4.237 -3.544 1.00 0.00 C ATOM 2642 O GLY B 79 154.052 -5.255 -3.131 1.00 0.00 O ATOM 0 H GLY B 79 155.540 -2.157 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY B 79 154.152 -4.643 -5.625 1.00 0.00 H new ATOM 0 HA3 GLY B 79 155.848 -4.378 -5.275 1.00 0.00 H new ATOM 2646 N CYS B 80 154.891 -3.276 -2.731 1.00 0.00 N ATOM 2647 CA CYS B 80 154.634 -3.433 -1.271 1.00 0.00 C ATOM 2648 C CYS B 80 153.128 -3.446 -1.021 1.00 0.00 C ATOM 2649 O CYS B 80 152.602 -4.321 -0.363 1.00 0.00 O ATOM 2650 CB CYS B 80 155.268 -2.267 -0.514 1.00 0.00 C ATOM 2651 SG CYS B 80 154.962 -2.460 1.260 1.00 0.00 S ATOM 0 H CYS B 80 155.321 -2.394 -3.008 1.00 0.00 H new ATOM 0 HA CYS B 80 155.069 -4.370 -0.922 1.00 0.00 H new ATOM 0 HB2 CYS B 80 156.340 -2.234 -0.707 1.00 0.00 H new ATOM 0 HB3 CYS B 80 154.852 -1.323 -0.865 1.00 0.00 H new ATOM 0 HG CYS B 80 154.691 -1.301 1.782 1.00 0.00 H new ATOM 2657 N LEU B 81 152.429 -2.492 -1.558 1.00 0.00 N ATOM 2658 CA LEU B 81 150.957 -2.471 -1.360 1.00 0.00 C ATOM 2659 C LEU B 81 150.320 -3.624 -2.144 1.00 0.00 C ATOM 2660 O LEU B 81 149.397 -4.264 -1.679 1.00 0.00 O ATOM 2661 CB LEU B 81 150.406 -1.137 -1.860 1.00 0.00 C ATOM 2662 CG LEU B 81 151.006 0.005 -1.028 1.00 0.00 C ATOM 2663 CD1 LEU B 81 150.578 1.346 -1.631 1.00 0.00 C ATOM 2664 CD2 LEU B 81 150.528 -0.089 0.437 1.00 0.00 C ATOM 0 H LEU B 81 152.808 -1.731 -2.121 1.00 0.00 H new ATOM 0 HA LEU B 81 150.723 -2.588 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU B 81 150.650 -1.002 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU B 81 149.319 -1.127 -1.781 1.00 0.00 H new ATOM 0 HG LEU B 81 152.093 -0.074 -1.043 1.00 0.00 H new ATOM 0 HD11 LEU B 81 151.002 2.161 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU B 81 150.937 1.414 -2.658 1.00 0.00 H new ATOM 0 HD13 LEU B 81 149.490 1.419 -1.621 1.00 0.00 H new ATOM 0 HD21 LEU B 81 150.962 0.727 1.014 1.00 0.00 H new ATOM 0 HD22 LEU B 81 149.441 -0.019 0.470 1.00 0.00 H new ATOM 0 HD23 LEU B 81 150.843 -1.042 0.862 1.00 0.00 H new ATOM 2676 N ARG B 82 150.794 -3.889 -3.332 1.00 0.00 N ATOM 2677 CA ARG B 82 150.197 -4.995 -4.136 1.00 0.00 C ATOM 2678 C ARG B 82 150.407 -6.338 -3.437 1.00 0.00 C ATOM 2679 O ARG B 82 149.534 -7.183 -3.430 1.00 0.00 O ATOM 2680 CB ARG B 82 150.831 -5.041 -5.526 1.00 0.00 C ATOM 2681 CG ARG B 82 150.093 -6.085 -6.368 1.00 0.00 C ATOM 2682 CD ARG B 82 150.642 -6.089 -7.793 1.00 0.00 C ATOM 2683 NE ARG B 82 149.884 -7.085 -8.602 1.00 0.00 N ATOM 2684 CZ ARG B 82 149.986 -7.087 -9.902 1.00 0.00 C ATOM 2685 NH1 ARG B 82 150.808 -6.263 -10.491 1.00 0.00 N ATOM 2686 NH2 ARG B 82 149.274 -7.921 -10.610 1.00 0.00 N ATOM 0 H ARG B 82 151.564 -3.391 -3.779 1.00 0.00 H new ATOM 0 HA ARG B 82 149.128 -4.807 -4.233 1.00 0.00 H new ATOM 0 HB2 ARG B 82 150.771 -4.062 -6.001 1.00 0.00 H new ATOM 0 HB3 ARG B 82 151.888 -5.295 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG B 82 150.209 -7.073 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG B 82 149.025 -5.865 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG B 82 150.550 -5.097 -8.235 1.00 0.00 H new ATOM 0 HD3 ARG B 82 151.703 -6.338 -7.787 1.00 0.00 H new ATOM 0 HE ARG B 82 149.284 -7.767 -8.138 1.00 0.00 H new ATOM 0 HH11 ARG B 82 151.370 -5.618 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG B 82 150.889 -6.263 -11.508 1.00 0.00 H new ATOM 0 HH21 ARG B 82 148.639 -8.570 -10.146 1.00 0.00 H new ATOM 0 HH22 ARG B 82 149.353 -7.923 -11.627 1.00 0.00 H new ATOM 2700 N GLU B 83 151.555 -6.552 -2.859 1.00 0.00 N ATOM 2701 CA GLU B 83 151.811 -7.850 -2.175 1.00 0.00 C ATOM 2702 C GLU B 83 150.963 -7.952 -0.905 1.00 0.00 C ATOM 2703 O GLU B 83 150.434 -9.001 -0.596 1.00 0.00 O ATOM 2704 CB GLU B 83 153.300 -7.964 -1.826 1.00 0.00 C ATOM 2705 CG GLU B 83 154.112 -8.178 -3.109 1.00 0.00 C ATOM 2706 CD GLU B 83 153.841 -9.580 -3.657 1.00 0.00 C ATOM 2707 OE1 GLU B 83 153.466 -10.438 -2.876 1.00 0.00 O ATOM 2708 OE2 GLU B 83 154.014 -9.772 -4.850 1.00 0.00 O ATOM 0 H GLU B 83 152.327 -5.885 -2.830 1.00 0.00 H new ATOM 0 HA GLU B 83 151.537 -8.666 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU B 83 153.635 -7.060 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU B 83 153.461 -8.795 -1.139 1.00 0.00 H new ATOM 0 HG2 GLU B 83 153.842 -7.427 -3.852 1.00 0.00 H new ATOM 0 HG3 GLU B 83 155.175 -8.056 -2.904 1.00 0.00 H new ATOM 2715 N TRP B 84 150.795 -6.878 -0.172 1.00 0.00 N ATOM 2716 CA TRP B 84 149.948 -6.940 1.052 1.00 0.00 C ATOM 2717 C TRP B 84 148.522 -7.314 0.642 1.00 0.00 C ATOM 2718 O TRP B 84 147.879 -8.137 1.259 1.00 0.00 O ATOM 2719 CB TRP B 84 149.942 -5.575 1.744 1.00 0.00 C ATOM 2720 CG TRP B 84 149.243 -5.691 3.062 1.00 0.00 C ATOM 2721 CD1 TRP B 84 149.855 -5.957 4.236 1.00 0.00 C ATOM 2722 CD2 TRP B 84 147.823 -5.559 3.361 1.00 0.00 C ATOM 2723 NE1 TRP B 84 148.905 -5.996 5.239 1.00 0.00 N ATOM 2724 CE2 TRP B 84 147.637 -5.757 4.750 1.00 0.00 C ATOM 2725 CE3 TRP B 84 146.690 -5.289 2.574 1.00 0.00 C ATOM 2726 CZ2 TRP B 84 146.373 -5.691 5.336 1.00 0.00 C ATOM 2727 CZ3 TRP B 84 145.415 -5.221 3.161 1.00 0.00 C ATOM 2728 CH2 TRP B 84 145.258 -5.424 4.540 1.00 0.00 C ATOM 0 H TRP B 84 151.207 -5.966 -0.370 1.00 0.00 H new ATOM 0 HA TRP B 84 150.345 -7.685 1.741 1.00 0.00 H new ATOM 0 HB2 TRP B 84 150.964 -5.225 1.891 1.00 0.00 H new ATOM 0 HB3 TRP B 84 149.440 -4.839 1.117 1.00 0.00 H new ATOM 0 HD1 TRP B 84 150.915 -6.114 4.370 1.00 0.00 H new ATOM 0 HE1 TRP B 84 149.115 -6.179 6.220 1.00 0.00 H new ATOM 0 HE3 TRP B 84 146.800 -5.133 1.511 1.00 0.00 H new ATOM 0 HZ2 TRP B 84 146.258 -5.845 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP B 84 144.551 -5.011 2.547 1.00 0.00 H new ATOM 0 HH2 TRP B 84 144.275 -5.374 4.985 1.00 0.00 H new ATOM 2739 N CYS B 85 148.022 -6.699 -0.394 1.00 0.00 N ATOM 2740 CA CYS B 85 146.633 -7.005 -0.839 1.00 0.00 C ATOM 2741 C CYS B 85 146.535 -8.488 -1.201 1.00 0.00 C ATOM 2742 O CYS B 85 145.561 -9.149 -0.904 1.00 0.00 O ATOM 2743 CB CYS B 85 146.292 -6.150 -2.063 1.00 0.00 C ATOM 2744 SG CYS B 85 146.142 -4.418 -1.560 1.00 0.00 S ATOM 0 H CYS B 85 148.513 -6.000 -0.951 1.00 0.00 H new ATOM 0 HA CYS B 85 145.930 -6.781 -0.036 1.00 0.00 H new ATOM 0 HB2 CYS B 85 147.068 -6.254 -2.821 1.00 0.00 H new ATOM 0 HB3 CYS B 85 145.360 -6.492 -2.512 1.00 0.00 H new ATOM 0 HG CYS B 85 147.326 -3.889 -1.466 1.00 0.00 H new ATOM 2750 N ASP B 86 147.546 -9.012 -1.837 1.00 0.00 N ATOM 2751 CA ASP B 86 147.534 -10.451 -2.226 1.00 0.00 C ATOM 2752 C ASP B 86 147.395 -11.341 -0.985 1.00 0.00 C ATOM 2753 O ASP B 86 146.837 -12.418 -1.047 1.00 0.00 O ATOM 2754 CB ASP B 86 148.840 -10.799 -2.946 1.00 0.00 C ATOM 2755 CG ASP B 86 148.854 -10.151 -4.332 1.00 0.00 C ATOM 2756 OD1 ASP B 86 147.804 -9.713 -4.771 1.00 0.00 O ATOM 2757 OD2 ASP B 86 149.916 -10.109 -4.932 1.00 0.00 O ATOM 0 H ASP B 86 148.387 -8.501 -2.106 1.00 0.00 H new ATOM 0 HA ASP B 86 146.685 -10.625 -2.887 1.00 0.00 H new ATOM 0 HB2 ASP B 86 149.692 -10.450 -2.362 1.00 0.00 H new ATOM 0 HB3 ASP B 86 148.938 -11.881 -3.039 1.00 0.00 H new ATOM 2762 N ALA B 87 147.915 -10.915 0.138 1.00 0.00 N ATOM 2763 CA ALA B 87 147.828 -11.765 1.366 1.00 0.00 C ATOM 2764 C ALA B 87 146.518 -11.502 2.111 1.00 0.00 C ATOM 2765 O ALA B 87 145.943 -12.402 2.692 1.00 0.00 O ATOM 2766 CB ALA B 87 149.002 -11.445 2.294 1.00 0.00 C ATOM 0 H ALA B 87 148.393 -10.022 0.259 1.00 0.00 H new ATOM 0 HA ALA B 87 147.862 -12.812 1.065 1.00 0.00 H new ATOM 0 HB1 ALA B 87 148.938 -12.065 3.189 1.00 0.00 H new ATOM 0 HB2 ALA B 87 149.940 -11.649 1.778 1.00 0.00 H new ATOM 0 HB3 ALA B 87 148.965 -10.393 2.578 1.00 0.00 H new ATOM 2772 N PHE B 88 146.054 -10.276 2.127 1.00 0.00 N ATOM 2773 CA PHE B 88 144.792 -9.957 2.868 1.00 0.00 C ATOM 2774 C PHE B 88 143.644 -9.740 1.883 1.00 0.00 C ATOM 2775 O PHE B 88 142.898 -10.651 1.582 1.00 0.00 O ATOM 2776 CB PHE B 88 145.000 -8.689 3.698 1.00 0.00 C ATOM 2777 CG PHE B 88 146.051 -8.943 4.756 1.00 0.00 C ATOM 2778 CD1 PHE B 88 145.690 -9.522 5.981 1.00 0.00 C ATOM 2779 CD2 PHE B 88 147.386 -8.598 4.515 1.00 0.00 C ATOM 2780 CE1 PHE B 88 146.665 -9.754 6.959 1.00 0.00 C ATOM 2781 CE2 PHE B 88 148.360 -8.828 5.494 1.00 0.00 C ATOM 2782 CZ PHE B 88 148.000 -9.406 6.716 1.00 0.00 C ATOM 0 H PHE B 88 146.493 -9.483 1.660 1.00 0.00 H new ATOM 0 HA PHE B 88 144.542 -10.791 3.524 1.00 0.00 H new ATOM 0 HB2 PHE B 88 145.310 -7.867 3.053 1.00 0.00 H new ATOM 0 HB3 PHE B 88 144.062 -8.391 4.167 1.00 0.00 H new ATOM 0 HD1 PHE B 88 144.661 -9.789 6.170 1.00 0.00 H new ATOM 0 HD2 PHE B 88 147.665 -8.153 3.571 1.00 0.00 H new ATOM 0 HE1 PHE B 88 146.387 -10.202 7.902 1.00 0.00 H new ATOM 0 HE2 PHE B 88 149.389 -8.559 5.306 1.00 0.00 H new ATOM 0 HZ PHE B 88 148.751 -9.584 7.472 1.00 0.00 H new ATOM 2792 N LEU B 89 143.485 -8.545 1.371 1.00 0.00 N ATOM 2793 CA LEU B 89 142.377 -8.281 0.404 1.00 0.00 C ATOM 2794 C LEU B 89 142.856 -8.627 -1.009 1.00 0.00 C ATOM 2795 O LEU B 89 142.505 -9.693 -1.488 1.00 0.00 O ATOM 2796 CB LEU B 89 141.989 -6.795 0.474 1.00 0.00 C ATOM 2797 CG LEU B 89 141.016 -6.433 -0.661 1.00 0.00 C ATOM 2798 CD1 LEU B 89 139.795 -7.354 -0.617 1.00 0.00 C ATOM 2799 CD2 LEU B 89 140.557 -4.979 -0.483 1.00 0.00 C ATOM 2800 OXT LEU B 89 143.564 -7.819 -1.587 1.00 0.00 O ATOM 0 H LEU B 89 144.076 -7.740 1.582 1.00 0.00 H new ATOM 0 HA LEU B 89 141.509 -8.891 0.653 1.00 0.00 H new ATOM 0 HB2 LEU B 89 141.528 -6.580 1.438 1.00 0.00 H new ATOM 0 HB3 LEU B 89 142.884 -6.177 0.404 1.00 0.00 H new ATOM 0 HG LEU B 89 141.521 -6.552 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU B 89 139.111 -7.091 -1.424 1.00 0.00 H new ATOM 0 HD12 LEU B 89 140.115 -8.389 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU B 89 139.287 -7.239 0.341 1.00 0.00 H new ATOM 0 HD21 LEU B 89 139.867 -4.715 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU B 89 140.055 -4.871 0.479 1.00 0.00 H new ATOM 0 HD23 LEU B 89 141.423 -4.317 -0.517 1.00 0.00 H new TER 2812 LEU B 89