USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 580 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 10 TYR OH : rot 180:sc= -0.764 USER MOD Set 1.2: A 53 GLN : amide:sc= -3! C(o=-3.8!,f=-5.6!) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= -0.0475 USER MOD Set 2.2: A 40 HIS : no HD1:sc= -0.872 X(o=-0.92,f=-1.1) USER MOD Single : A 1 ALA N :NH3+ 171:sc=-0.00373 (180deg=-0.0549) USER MOD Single : A 2 SER OG : rot -63:sc= 0.0896 USER MOD Single : A 3 ASN : amide:sc= -0.326 X(o=-0.33,f=-0.19) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0687 X(o=-0.069,f=-0.49) USER MOD Single : A 13 THR OG1 : rot 34:sc= 0.166 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -7.39! C(o=-10!,f=-7.4!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot -32:sc= -0.231 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.153) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0609 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.375 K(o=0.37,f=-3.3!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.845 18.160 0.362 1.00 0.00 N ATOM 2 CA ALA A 1 -5.942 17.352 0.958 1.00 0.00 C ATOM 3 C ALA A 1 -7.220 17.221 0.087 1.00 0.00 C ATOM 4 O ALA A 1 -8.343 17.183 0.578 1.00 0.00 O ATOM 5 CB ALA A 1 -6.246 17.946 2.342 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.103 18.316 1.074 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.443 17.653 -0.452 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.221 19.077 0.047 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.596 16.321 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.049 17.379 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.352 17.895 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.553 18.986 2.232 1.00 0.00 H new ATOM 13 N SER A 2 -6.950 17.090 -1.221 1.00 0.00 N ATOM 14 CA SER A 2 -7.932 17.043 -2.339 1.00 0.00 C ATOM 15 C SER A 2 -7.248 17.162 -3.719 1.00 0.00 C ATOM 16 O SER A 2 -7.518 18.049 -4.528 1.00 0.00 O ATOM 17 CB SER A 2 -8.996 18.139 -2.190 1.00 0.00 C ATOM 18 OG SER A 2 -10.043 18.003 -3.140 1.00 0.00 O ATOM 0 H SER A 2 -5.990 17.009 -1.556 1.00 0.00 H new ATOM 0 HA SER A 2 -8.417 16.068 -2.285 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.414 18.103 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.527 19.116 -2.306 1.00 0.00 H new ATOM 0 HG SER A 2 -9.679 18.102 -4.044 1.00 0.00 H new ATOM 24 N ASN A 3 -6.214 16.343 -3.925 1.00 0.00 N ATOM 25 CA ASN A 3 -5.461 16.293 -5.216 1.00 0.00 C ATOM 26 C ASN A 3 -5.034 14.860 -5.603 1.00 0.00 C ATOM 27 O ASN A 3 -4.183 14.603 -6.456 1.00 0.00 O ATOM 28 CB ASN A 3 -4.279 17.268 -5.133 1.00 0.00 C ATOM 29 CG ASN A 3 -3.587 17.462 -6.489 1.00 0.00 C ATOM 30 OD1 ASN A 3 -4.066 18.136 -7.391 1.00 0.00 O ATOM 31 ND2 ASN A 3 -2.463 16.810 -6.667 1.00 0.00 N ATOM 0 H ASN A 3 -5.864 15.695 -3.219 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.120 16.607 -6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -4.631 18.232 -4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -3.555 16.897 -4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.980 16.862 -7.564 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.072 16.251 -5.909 1.00 0.00 H new ATOM 38 N TYR A 4 -5.692 13.884 -4.983 1.00 0.00 N ATOM 39 CA TYR A 4 -5.450 12.457 -5.243 1.00 0.00 C ATOM 40 C TYR A 4 -5.898 12.076 -6.657 1.00 0.00 C ATOM 41 O TYR A 4 -7.066 12.207 -6.986 1.00 0.00 O ATOM 42 CB TYR A 4 -6.178 11.644 -4.170 1.00 0.00 C ATOM 43 CG TYR A 4 -7.680 11.913 -4.009 1.00 0.00 C ATOM 44 CD1 TYR A 4 -8.590 11.170 -4.794 1.00 0.00 C ATOM 45 CD2 TYR A 4 -8.115 12.957 -3.163 1.00 0.00 C ATOM 46 CE1 TYR A 4 -9.955 11.500 -4.766 1.00 0.00 C ATOM 47 CE2 TYR A 4 -9.481 13.282 -3.114 1.00 0.00 C ATOM 48 CZ TYR A 4 -10.379 12.551 -3.923 1.00 0.00 C ATOM 49 OH TYR A 4 -11.714 12.836 -3.865 1.00 0.00 O ATOM 0 H TYR A 4 -6.413 14.056 -4.282 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.383 12.239 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.043 10.586 -4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.693 11.832 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -8.239 10.355 -5.410 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.404 13.501 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -10.665 10.962 -5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.837 14.074 -2.472 1.00 0.00 H new ATOM 0 HH TYR A 4 -11.863 13.580 -3.245 1.00 0.00 H new ATOM 59 N ASP A 5 -4.911 11.866 -7.540 1.00 0.00 N ATOM 60 CA ASP A 5 -5.164 11.471 -8.946 1.00 0.00 C ATOM 61 C ASP A 5 -3.855 11.169 -9.693 1.00 0.00 C ATOM 62 O ASP A 5 -3.551 11.743 -10.741 1.00 0.00 O ATOM 63 CB ASP A 5 -5.947 12.574 -9.682 1.00 0.00 C ATOM 64 CG ASP A 5 -6.787 11.980 -10.812 1.00 0.00 C ATOM 65 OD1 ASP A 5 -7.711 11.200 -10.479 1.00 0.00 O ATOM 66 OD2 ASP A 5 -6.519 12.339 -11.978 1.00 0.00 O ATOM 0 H ASP A 5 -3.922 11.962 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.760 10.559 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.594 13.098 -8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.253 13.311 -10.087 1.00 0.00 H new ATOM 72 N CYS A 6 -3.066 10.304 -9.085 1.00 0.00 N ATOM 73 CA CYS A 6 -1.731 9.992 -9.607 1.00 0.00 C ATOM 74 C CYS A 6 -1.583 8.559 -10.135 1.00 0.00 C ATOM 75 O CYS A 6 -1.631 8.374 -11.351 1.00 0.00 O ATOM 76 CB CYS A 6 -0.706 10.404 -8.564 1.00 0.00 C ATOM 77 SG CYS A 6 -1.043 9.860 -6.850 1.00 0.00 S ATOM 0 H CYS A 6 -3.316 9.802 -8.233 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.551 10.574 -10.511 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.266 10.012 -8.864 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.627 11.491 -8.570 1.00 0.00 H new ATOM 82 N CYS A 7 -1.504 7.559 -9.247 1.00 0.00 N ATOM 83 CA CYS A 7 -1.614 6.142 -9.633 1.00 0.00 C ATOM 84 C CYS A 7 -2.790 5.946 -10.604 1.00 0.00 C ATOM 85 O CYS A 7 -3.748 6.708 -10.507 1.00 0.00 O ATOM 86 CB CYS A 7 -1.871 5.240 -8.421 1.00 0.00 C ATOM 87 SG CYS A 7 -0.317 4.563 -7.738 1.00 0.00 S ATOM 0 H CYS A 7 -1.363 7.705 -8.247 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.667 5.870 -10.098 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.391 5.808 -7.649 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.528 4.420 -8.711 1.00 0.00 H new ATOM 92 N LEU A 8 -2.685 4.922 -11.452 1.00 0.00 N ATOM 93 CA LEU A 8 -3.720 4.584 -12.465 1.00 0.00 C ATOM 94 C LEU A 8 -5.167 4.766 -11.988 1.00 0.00 C ATOM 95 O LEU A 8 -6.017 5.245 -12.733 1.00 0.00 O ATOM 96 CB LEU A 8 -3.488 3.156 -12.961 1.00 0.00 C ATOM 97 CG LEU A 8 -2.879 3.157 -14.374 1.00 0.00 C ATOM 98 CD1 LEU A 8 -2.151 1.838 -14.640 1.00 0.00 C ATOM 99 CD2 LEU A 8 -3.941 3.434 -15.430 1.00 0.00 C ATOM 0 H LEU A 8 -1.882 4.294 -11.466 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.604 5.300 -13.278 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.823 2.632 -12.275 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.432 2.611 -12.968 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.148 3.963 -14.435 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.725 1.853 -15.643 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.353 1.709 -13.909 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.856 1.010 -14.557 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.481 3.429 -16.418 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.710 2.663 -15.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.392 4.409 -15.245 1.00 0.00 H new ATOM 111 N SER A 9 -5.345 4.478 -10.706 1.00 0.00 N ATOM 112 CA SER A 9 -6.554 4.670 -9.898 1.00 0.00 C ATOM 113 C SER A 9 -6.290 4.187 -8.468 1.00 0.00 C ATOM 114 O SER A 9 -5.465 3.308 -8.237 1.00 0.00 O ATOM 115 CB SER A 9 -7.767 3.931 -10.494 1.00 0.00 C ATOM 116 OG SER A 9 -7.368 2.648 -10.972 1.00 0.00 O ATOM 0 H SER A 9 -4.590 4.071 -10.154 1.00 0.00 H new ATOM 0 HA SER A 9 -6.794 5.733 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.544 3.821 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.195 4.515 -11.309 1.00 0.00 H new ATOM 0 HG SER A 9 -8.144 2.183 -11.348 1.00 0.00 H new ATOM 122 N TYR A 10 -6.820 4.961 -7.516 1.00 0.00 N ATOM 123 CA TYR A 10 -6.801 4.592 -6.087 1.00 0.00 C ATOM 124 C TYR A 10 -7.328 3.162 -5.890 1.00 0.00 C ATOM 125 O TYR A 10 -7.896 2.542 -6.795 1.00 0.00 O ATOM 126 CB TYR A 10 -7.672 5.595 -5.312 1.00 0.00 C ATOM 127 CG TYR A 10 -7.589 5.473 -3.771 1.00 0.00 C ATOM 128 CD1 TYR A 10 -6.402 5.873 -3.125 1.00 0.00 C ATOM 129 CD2 TYR A 10 -8.707 4.975 -3.054 1.00 0.00 C ATOM 130 CE1 TYR A 10 -6.321 5.756 -1.730 1.00 0.00 C ATOM 131 CE2 TYR A 10 -8.613 4.854 -1.654 1.00 0.00 C ATOM 132 CZ TYR A 10 -7.419 5.234 -1.002 1.00 0.00 C ATOM 133 OH TYR A 10 -7.258 4.937 0.315 1.00 0.00 O ATOM 0 H TYR A 10 -7.272 5.855 -7.706 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.777 4.624 -5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.380 6.605 -5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.710 5.465 -5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.570 6.262 -3.694 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.612 4.694 -3.571 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.424 6.063 -1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.447 4.474 -1.083 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.100 4.589 0.677 1.00 0.00 H new ATOM 143 N ILE A 11 -7.175 2.656 -4.674 1.00 0.00 N ATOM 144 CA ILE A 11 -7.721 1.340 -4.324 1.00 0.00 C ATOM 145 C ILE A 11 -9.252 1.379 -4.224 1.00 0.00 C ATOM 146 O ILE A 11 -9.847 1.650 -3.175 1.00 0.00 O ATOM 147 CB ILE A 11 -6.993 0.757 -3.094 1.00 0.00 C ATOM 148 CG1 ILE A 11 -7.358 -0.711 -2.881 1.00 0.00 C ATOM 149 CG2 ILE A 11 -7.277 1.532 -1.798 1.00 0.00 C ATOM 150 CD1 ILE A 11 -7.283 -1.570 -4.152 1.00 0.00 C ATOM 0 H ILE A 11 -6.683 3.127 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.522 0.635 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.930 0.851 -3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.691 -1.134 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.369 -0.767 -2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.735 1.071 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.951 2.566 -1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.346 1.510 -1.588 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.557 -2.598 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.971 -1.175 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.267 -1.548 -4.547 1.00 0.00 H new ATOM 162 N GLN A 12 -9.874 1.089 -5.357 1.00 0.00 N ATOM 163 CA GLN A 12 -11.345 0.976 -5.456 1.00 0.00 C ATOM 164 C GLN A 12 -11.939 -0.062 -4.478 1.00 0.00 C ATOM 165 O GLN A 12 -13.065 0.108 -4.013 1.00 0.00 O ATOM 166 CB GLN A 12 -11.791 0.660 -6.886 1.00 0.00 C ATOM 167 CG GLN A 12 -12.056 1.946 -7.674 1.00 0.00 C ATOM 168 CD GLN A 12 -13.463 1.975 -8.282 1.00 0.00 C ATOM 169 OE1 GLN A 12 -14.054 0.973 -8.660 1.00 0.00 O ATOM 170 NE2 GLN A 12 -14.028 3.147 -8.402 1.00 0.00 N ATOM 0 H GLN A 12 -9.387 0.924 -6.238 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.734 1.953 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -11.023 0.073 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -12.694 0.051 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.929 2.806 -7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.317 2.041 -8.469 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.537 3.984 -8.088 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.960 3.225 -8.810 1.00 0.00 H new ATOM 179 N THR A 13 -11.089 -1.015 -4.099 1.00 0.00 N ATOM 180 CA THR A 13 -11.422 -2.094 -3.142 1.00 0.00 C ATOM 181 C THR A 13 -10.239 -2.500 -2.254 1.00 0.00 C ATOM 182 O THR A 13 -9.319 -3.181 -2.720 1.00 0.00 O ATOM 183 CB THR A 13 -12.135 -3.258 -3.851 1.00 0.00 C ATOM 184 OG1 THR A 13 -13.510 -2.919 -3.763 1.00 0.00 O ATOM 185 CG2 THR A 13 -11.913 -4.677 -3.304 1.00 0.00 C ATOM 0 H THR A 13 -10.132 -1.069 -4.448 1.00 0.00 H new ATOM 0 HA THR A 13 -12.143 -1.698 -2.427 1.00 0.00 H new ATOM 0 HB THR A 13 -11.722 -3.341 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.611 -1.946 -3.822 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.478 -5.391 -3.904 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.852 -4.923 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.251 -4.725 -2.269 1.00 0.00 H new ATOM 193 N PRO A 14 -10.276 -2.088 -0.988 1.00 0.00 N ATOM 194 CA PRO A 14 -9.245 -2.473 -0.009 1.00 0.00 C ATOM 195 C PRO A 14 -9.225 -3.964 0.317 1.00 0.00 C ATOM 196 O PRO A 14 -10.100 -4.478 1.017 1.00 0.00 O ATOM 197 CB PRO A 14 -9.515 -1.582 1.203 1.00 0.00 C ATOM 198 CG PRO A 14 -10.938 -1.067 1.080 1.00 0.00 C ATOM 199 CD PRO A 14 -11.238 -1.121 -0.410 1.00 0.00 C ATOM 0 HA PRO A 14 -8.242 -2.319 -0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -9.389 -2.144 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.808 -0.753 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.634 -1.685 1.647 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.027 -0.051 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.265 -1.439 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.124 -0.138 -0.866 1.00 0.00 H new ATOM 207 N LEU A 15 -8.217 -4.652 -0.205 1.00 0.00 N ATOM 208 CA LEU A 15 -8.091 -6.112 -0.041 1.00 0.00 C ATOM 209 C LEU A 15 -7.224 -6.493 1.183 1.00 0.00 C ATOM 210 O LEU A 15 -6.470 -5.646 1.645 1.00 0.00 O ATOM 211 CB LEU A 15 -7.624 -6.751 -1.351 1.00 0.00 C ATOM 212 CG LEU A 15 -6.397 -6.072 -1.965 1.00 0.00 C ATOM 213 CD1 LEU A 15 -5.524 -7.185 -2.535 1.00 0.00 C ATOM 214 CD2 LEU A 15 -6.790 -5.098 -3.074 1.00 0.00 C ATOM 0 H LEU A 15 -7.466 -4.228 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.075 -6.524 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.395 -7.801 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.442 -6.722 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.870 -5.492 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.631 -6.752 -2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.232 -7.865 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.083 -7.735 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.893 -4.635 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.315 -5.637 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.442 -4.326 -2.666 1.00 0.00 H new ATOM 226 N PRO A 16 -7.402 -7.659 1.827 1.00 0.00 N ATOM 227 CA PRO A 16 -6.625 -7.990 3.040 1.00 0.00 C ATOM 228 C PRO A 16 -5.148 -8.255 2.712 1.00 0.00 C ATOM 229 O PRO A 16 -4.838 -8.788 1.650 1.00 0.00 O ATOM 230 CB PRO A 16 -7.315 -9.233 3.594 1.00 0.00 C ATOM 231 CG PRO A 16 -7.918 -9.909 2.365 1.00 0.00 C ATOM 232 CD PRO A 16 -8.323 -8.750 1.457 1.00 0.00 C ATOM 0 HA PRO A 16 -6.607 -7.172 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.607 -9.888 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -8.084 -8.971 4.321 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.196 -10.563 1.877 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -8.777 -10.525 2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.223 -9.015 0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -9.363 -8.464 1.616 1.00 0.00 H new ATOM 240 N SER A 17 -4.283 -8.065 3.714 1.00 0.00 N ATOM 241 CA SER A 17 -2.824 -8.342 3.578 1.00 0.00 C ATOM 242 C SER A 17 -2.484 -9.823 3.305 1.00 0.00 C ATOM 243 O SER A 17 -1.439 -10.117 2.731 1.00 0.00 O ATOM 244 CB SER A 17 -2.032 -7.852 4.791 1.00 0.00 C ATOM 245 OG SER A 17 -2.431 -8.565 5.958 1.00 0.00 O ATOM 0 H SER A 17 -4.555 -7.720 4.635 1.00 0.00 H new ATOM 0 HA SER A 17 -2.524 -7.777 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.965 -7.991 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.196 -6.784 4.934 1.00 0.00 H new ATOM 0 HG SER A 17 -1.917 -8.245 6.729 1.00 0.00 H new ATOM 251 N ARG A 18 -3.506 -10.668 3.437 1.00 0.00 N ATOM 252 CA ARG A 18 -3.475 -12.106 3.100 1.00 0.00 C ATOM 253 C ARG A 18 -3.495 -12.405 1.591 1.00 0.00 C ATOM 254 O ARG A 18 -3.532 -13.551 1.161 1.00 0.00 O ATOM 255 CB ARG A 18 -4.667 -12.793 3.764 1.00 0.00 C ATOM 256 CG ARG A 18 -4.449 -12.893 5.276 1.00 0.00 C ATOM 257 CD ARG A 18 -5.589 -13.687 5.916 1.00 0.00 C ATOM 258 NE ARG A 18 -5.252 -13.938 7.332 1.00 0.00 N ATOM 259 CZ ARG A 18 -4.400 -14.865 7.798 1.00 0.00 C ATOM 260 NH1 ARG A 18 -3.738 -15.689 7.000 1.00 0.00 N ATOM 261 NH2 ARG A 18 -4.191 -14.957 9.101 1.00 0.00 N ATOM 0 H ARG A 18 -4.413 -10.368 3.793 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.525 -12.490 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.579 -12.233 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.802 -13.789 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.495 -13.378 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.400 -11.895 5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.524 -13.132 5.842 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.736 -14.630 5.389 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.713 -13.348 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.866 -15.633 5.990 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.100 -16.379 7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.675 -14.327 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.546 -15.658 9.466 1.00 0.00 H new ATOM 275 N ALA A 19 -3.548 -11.330 0.812 1.00 0.00 N ATOM 276 CA ALA A 19 -3.513 -11.391 -0.656 1.00 0.00 C ATOM 277 C ALA A 19 -2.315 -10.625 -1.244 1.00 0.00 C ATOM 278 O ALA A 19 -2.040 -10.744 -2.423 1.00 0.00 O ATOM 279 CB ALA A 19 -4.841 -10.847 -1.191 1.00 0.00 C ATOM 0 H ALA A 19 -3.617 -10.381 1.179 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.383 -12.428 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.837 -10.883 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.662 -11.454 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.970 -9.816 -0.863 1.00 0.00 H new ATOM 285 N ILE A 20 -1.481 -10.043 -0.367 1.00 0.00 N ATOM 286 CA ILE A 20 -0.367 -9.174 -0.779 1.00 0.00 C ATOM 287 C ILE A 20 0.924 -10.005 -0.860 1.00 0.00 C ATOM 288 O ILE A 20 1.436 -10.477 0.153 1.00 0.00 O ATOM 289 CB ILE A 20 -0.301 -7.977 0.186 1.00 0.00 C ATOM 290 CG1 ILE A 20 -1.387 -6.938 -0.116 1.00 0.00 C ATOM 291 CG2 ILE A 20 1.039 -7.242 0.118 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.862 -7.311 0.003 1.00 0.00 C ATOM 0 H ILE A 20 -1.559 -10.161 0.643 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.514 -8.761 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.443 -8.411 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.214 -6.089 0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.224 -6.587 -1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.032 -6.407 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.844 -7.928 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.197 -6.866 -0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.477 -6.447 -0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.087 -8.129 -0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.077 -7.623 1.025 1.00 0.00 H new ATOM 304 N VAL A 21 1.424 -10.111 -2.088 1.00 0.00 N ATOM 305 CA VAL A 21 2.678 -10.821 -2.374 1.00 0.00 C ATOM 306 C VAL A 21 3.919 -9.930 -2.178 1.00 0.00 C ATOM 307 O VAL A 21 4.887 -10.340 -1.546 1.00 0.00 O ATOM 308 CB VAL A 21 2.559 -11.532 -3.736 1.00 0.00 C ATOM 309 CG1 VAL A 21 3.568 -11.144 -4.839 1.00 0.00 C ATOM 310 CG2 VAL A 21 2.606 -13.042 -3.502 1.00 0.00 C ATOM 0 H VAL A 21 0.977 -9.711 -2.913 1.00 0.00 H new ATOM 0 HA VAL A 21 2.842 -11.608 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 21 1.607 -11.188 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.364 -11.724 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.472 -10.081 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.581 -11.353 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.523 -13.561 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.550 -13.307 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.779 -13.336 -2.856 1.00 0.00 H new ATOM 320 N GLY A 22 3.856 -8.731 -2.733 1.00 0.00 N ATOM 321 CA GLY A 22 4.951 -7.748 -2.703 1.00 0.00 C ATOM 322 C GLY A 22 4.337 -6.363 -2.846 1.00 0.00 C ATOM 323 O GLY A 22 3.238 -6.222 -3.378 1.00 0.00 O ATOM 0 H GLY A 22 3.030 -8.397 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.507 -7.825 -1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.657 -7.938 -3.511 1.00 0.00 H new ATOM 327 N PHE A 23 4.872 -5.448 -2.064 1.00 0.00 N ATOM 328 CA PHE A 23 4.382 -4.060 -2.045 1.00 0.00 C ATOM 329 C PHE A 23 5.493 -3.067 -1.722 1.00 0.00 C ATOM 330 O PHE A 23 6.527 -3.433 -1.170 1.00 0.00 O ATOM 331 CB PHE A 23 3.216 -3.922 -1.058 1.00 0.00 C ATOM 332 CG PHE A 23 3.576 -4.233 0.391 1.00 0.00 C ATOM 333 CD1 PHE A 23 3.943 -5.557 0.753 1.00 0.00 C ATOM 334 CD2 PHE A 23 3.540 -3.189 1.331 1.00 0.00 C ATOM 335 CE1 PHE A 23 4.306 -5.839 2.070 1.00 0.00 C ATOM 336 CE2 PHE A 23 3.886 -3.483 2.659 1.00 0.00 C ATOM 337 CZ PHE A 23 4.269 -4.794 3.011 1.00 0.00 C ATOM 0 H PHE A 23 5.648 -5.628 -1.427 1.00 0.00 H new ATOM 0 HA PHE A 23 4.024 -3.820 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.828 -2.905 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.411 -4.587 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.941 -6.342 0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.254 -2.189 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.608 -6.835 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.859 -2.707 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.542 -5.002 4.035 1.00 0.00 H new ATOM 347 N THR A 24 5.163 -1.806 -1.961 1.00 0.00 N ATOM 348 CA THR A 24 6.115 -0.697 -1.859 1.00 0.00 C ATOM 349 C THR A 24 5.399 0.563 -1.348 1.00 0.00 C ATOM 350 O THR A 24 4.175 0.677 -1.360 1.00 0.00 O ATOM 351 CB THR A 24 6.769 -0.442 -3.230 1.00 0.00 C ATOM 352 OG1 THR A 24 6.808 -1.650 -4.014 1.00 0.00 O ATOM 353 CG2 THR A 24 8.200 0.071 -3.051 1.00 0.00 C ATOM 0 H THR A 24 4.224 -1.517 -2.233 1.00 0.00 H new ATOM 0 HA THR A 24 6.899 -0.956 -1.148 1.00 0.00 H new ATOM 0 HB THR A 24 6.168 0.306 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.226 -1.464 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.649 0.246 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.184 1.003 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.787 -0.671 -2.510 1.00 0.00 H new ATOM 361 N ARG A 25 6.223 1.495 -0.895 1.00 0.00 N ATOM 362 CA ARG A 25 5.759 2.769 -0.310 1.00 0.00 C ATOM 363 C ARG A 25 5.703 3.833 -1.399 1.00 0.00 C ATOM 364 O ARG A 25 6.541 3.864 -2.306 1.00 0.00 O ATOM 365 CB ARG A 25 6.741 3.244 0.777 1.00 0.00 C ATOM 366 CG ARG A 25 7.061 2.138 1.774 1.00 0.00 C ATOM 367 CD ARG A 25 8.045 2.617 2.839 1.00 0.00 C ATOM 368 NE ARG A 25 7.306 2.952 4.062 1.00 0.00 N ATOM 369 CZ ARG A 25 7.854 3.333 5.223 1.00 0.00 C ATOM 370 NH1 ARG A 25 9.155 3.499 5.358 1.00 0.00 N ATOM 371 NH2 ARG A 25 7.076 3.553 6.278 1.00 0.00 N ATOM 0 H ARG A 25 7.238 1.400 -0.917 1.00 0.00 H new ATOM 0 HA ARG A 25 4.772 2.614 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.663 3.588 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.314 4.097 1.305 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.142 1.799 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 25 7.481 1.281 1.247 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.782 1.841 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.592 3.489 2.480 1.00 0.00 H new ATOM 0 HE ARG A 25 6.289 2.889 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.775 3.336 4.564 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.542 3.790 6.256 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.066 3.431 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.489 3.843 7.164 1.00 0.00 H new ATOM 385 N GLN A 26 4.680 4.674 -1.312 1.00 0.00 N ATOM 386 CA GLN A 26 4.492 5.767 -2.272 1.00 0.00 C ATOM 387 C GLN A 26 4.323 7.087 -1.527 1.00 0.00 C ATOM 388 O GLN A 26 3.253 7.404 -0.990 1.00 0.00 O ATOM 389 CB GLN A 26 3.262 5.484 -3.128 1.00 0.00 C ATOM 390 CG GLN A 26 3.197 6.403 -4.350 1.00 0.00 C ATOM 391 CD GLN A 26 1.889 6.135 -5.081 1.00 0.00 C ATOM 392 OE1 GLN A 26 0.780 6.453 -4.442 1.00 0.00 O flip ATOM 393 NE2 GLN A 26 1.837 5.761 -6.241 1.00 0.00 N flip ATOM 0 H GLN A 26 3.964 4.624 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 26 5.367 5.839 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.278 4.444 -3.455 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.362 5.615 -2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.253 7.447 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.045 6.218 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.694 5.515 -6.736 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.937 5.695 -6.716 1.00 0.00 H new ATOM 402 N MET A 27 5.450 7.771 -1.460 1.00 0.00 N ATOM 403 CA MET A 27 5.572 9.094 -0.821 1.00 0.00 C ATOM 404 C MET A 27 4.761 10.138 -1.624 1.00 0.00 C ATOM 405 O MET A 27 4.613 10.044 -2.848 1.00 0.00 O ATOM 406 CB MET A 27 7.024 9.574 -0.756 1.00 0.00 C ATOM 407 CG MET A 27 8.048 8.505 -0.353 1.00 0.00 C ATOM 408 SD MET A 27 8.808 7.718 -1.826 1.00 0.00 S ATOM 409 CE MET A 27 9.872 6.520 -1.038 1.00 0.00 C ATOM 0 H MET A 27 6.328 7.429 -1.851 1.00 0.00 H new ATOM 0 HA MET A 27 5.191 8.992 0.195 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.303 9.971 -1.732 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.086 10.399 -0.046 1.00 0.00 H new ATOM 0 HG2 MET A 27 8.826 8.958 0.262 1.00 0.00 H new ATOM 0 HG3 MET A 27 7.561 7.744 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 27 10.409 5.954 -1.799 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.587 7.035 -0.396 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.270 5.839 -0.437 1.00 0.00 H new ATOM 419 N ALA A 28 4.358 11.170 -0.900 1.00 0.00 N ATOM 420 CA ALA A 28 3.609 12.309 -1.458 1.00 0.00 C ATOM 421 C ALA A 28 4.565 13.407 -1.942 1.00 0.00 C ATOM 422 O ALA A 28 4.993 14.267 -1.179 1.00 0.00 O ATOM 423 CB ALA A 28 2.639 12.823 -0.391 1.00 0.00 C ATOM 0 H ALA A 28 4.538 11.251 0.101 1.00 0.00 H new ATOM 0 HA ALA A 28 3.038 11.990 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.076 13.668 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.950 12.026 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.200 13.142 0.487 1.00 0.00 H new ATOM 429 N ASP A 29 5.026 13.240 -3.182 1.00 0.00 N ATOM 430 CA ASP A 29 5.981 14.146 -3.866 1.00 0.00 C ATOM 431 C ASP A 29 6.306 13.729 -5.302 1.00 0.00 C ATOM 432 O ASP A 29 6.419 14.588 -6.170 1.00 0.00 O ATOM 433 CB ASP A 29 7.324 14.277 -3.132 1.00 0.00 C ATOM 434 CG ASP A 29 7.494 15.620 -2.410 1.00 0.00 C ATOM 435 OD1 ASP A 29 6.842 16.602 -2.833 1.00 0.00 O ATOM 436 OD2 ASP A 29 8.392 15.666 -1.542 1.00 0.00 O ATOM 0 H ASP A 29 4.744 12.452 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 29 5.452 15.099 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.414 13.469 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.135 14.153 -3.849 1.00 0.00 H new ATOM 442 N GLU A 30 6.643 12.451 -5.469 1.00 0.00 N ATOM 443 CA GLU A 30 7.048 11.878 -6.768 1.00 0.00 C ATOM 444 C GLU A 30 5.863 11.909 -7.771 1.00 0.00 C ATOM 445 O GLU A 30 5.011 12.793 -7.685 1.00 0.00 O ATOM 446 CB GLU A 30 7.587 10.464 -6.506 1.00 0.00 C ATOM 447 CG GLU A 30 8.726 10.136 -7.462 1.00 0.00 C ATOM 448 CD GLU A 30 8.606 8.722 -8.034 1.00 0.00 C ATOM 449 OE1 GLU A 30 8.810 7.770 -7.255 1.00 0.00 O ATOM 450 OE2 GLU A 30 8.202 8.645 -9.212 1.00 0.00 O ATOM 0 H GLU A 30 6.645 11.773 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 30 7.838 12.468 -7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.937 10.388 -5.476 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.785 9.736 -6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.733 10.858 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.678 10.236 -6.940 1.00 0.00 H new ATOM 457 N ALA A 31 5.740 10.893 -8.634 1.00 0.00 N ATOM 458 CA ALA A 31 4.578 10.722 -9.536 1.00 0.00 C ATOM 459 C ALA A 31 3.231 10.795 -8.804 1.00 0.00 C ATOM 460 O ALA A 31 2.231 11.224 -9.371 1.00 0.00 O ATOM 461 CB ALA A 31 4.720 9.383 -10.268 1.00 0.00 C ATOM 0 H ALA A 31 6.442 10.160 -8.732 1.00 0.00 H new ATOM 0 HA ALA A 31 4.578 11.550 -10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.871 9.242 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.643 9.381 -10.848 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.747 8.572 -9.541 1.00 0.00 H new ATOM 467 N CYS A 32 3.264 10.488 -7.509 1.00 0.00 N ATOM 468 CA CYS A 32 2.129 10.706 -6.602 1.00 0.00 C ATOM 469 C CYS A 32 2.345 11.886 -5.676 1.00 0.00 C ATOM 470 O CYS A 32 3.408 12.038 -5.063 1.00 0.00 O ATOM 471 CB CYS A 32 1.796 9.464 -5.793 1.00 0.00 C ATOM 472 SG CYS A 32 0.452 8.503 -6.573 1.00 0.00 S ATOM 0 H CYS A 32 4.080 10.079 -7.053 1.00 0.00 H new ATOM 0 HA CYS A 32 1.279 10.935 -7.245 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.685 8.840 -5.699 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.501 9.753 -4.784 1.00 0.00 H new ATOM 477 N ASP A 33 1.247 12.604 -5.490 1.00 0.00 N ATOM 478 CA ASP A 33 1.183 13.739 -4.546 1.00 0.00 C ATOM 479 C ASP A 33 0.524 13.352 -3.215 1.00 0.00 C ATOM 480 O ASP A 33 0.384 14.176 -2.320 1.00 0.00 O ATOM 481 CB ASP A 33 0.443 14.900 -5.222 1.00 0.00 C ATOM 482 CG ASP A 33 0.567 16.216 -4.438 1.00 0.00 C ATOM 483 OD1 ASP A 33 -0.399 17.010 -4.550 1.00 0.00 O ATOM 484 OD2 ASP A 33 1.576 16.392 -3.720 1.00 0.00 O ATOM 0 H ASP A 33 0.371 12.427 -5.982 1.00 0.00 H new ATOM 0 HA ASP A 33 2.199 14.047 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.839 15.042 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.611 14.642 -5.328 1.00 0.00 H new ATOM 490 N ILE A 34 0.097 12.098 -3.117 1.00 0.00 N ATOM 491 CA ILE A 34 -0.551 11.553 -1.914 1.00 0.00 C ATOM 492 C ILE A 34 0.222 10.299 -1.482 1.00 0.00 C ATOM 493 O ILE A 34 0.803 9.580 -2.309 1.00 0.00 O ATOM 494 CB ILE A 34 -2.037 11.240 -2.149 1.00 0.00 C ATOM 495 CG1 ILE A 34 -2.203 10.161 -3.233 1.00 0.00 C ATOM 496 CG2 ILE A 34 -2.788 12.540 -2.450 1.00 0.00 C ATOM 497 CD1 ILE A 34 -3.596 9.556 -3.337 1.00 0.00 C ATOM 0 H ILE A 34 0.188 11.419 -3.873 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.525 12.301 -1.121 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.481 10.817 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.940 10.594 -4.198 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.490 9.360 -3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.843 12.321 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.689 13.222 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.368 13.004 -3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.609 8.807 -4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.861 9.087 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.317 10.340 -3.567 1.00 0.00 H new ATOM 509 N ASN A 35 0.090 9.994 -0.210 1.00 0.00 N ATOM 510 CA ASN A 35 0.689 8.779 0.346 1.00 0.00 C ATOM 511 C ASN A 35 -0.208 7.601 0.010 1.00 0.00 C ATOM 512 O ASN A 35 -1.422 7.632 0.243 1.00 0.00 O ATOM 513 CB ASN A 35 0.891 8.896 1.863 1.00 0.00 C ATOM 514 CG ASN A 35 1.922 9.968 2.195 1.00 0.00 C ATOM 515 OD1 ASN A 35 3.126 9.795 2.096 1.00 0.00 O ATOM 516 ND2 ASN A 35 1.440 11.139 2.541 1.00 0.00 N ATOM 0 H ASN A 35 -0.423 10.562 0.465 1.00 0.00 H new ATOM 0 HA ASN A 35 1.675 8.631 -0.094 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.058 9.138 2.342 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.216 7.937 2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.074 11.916 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.432 11.272 2.621 1.00 0.00 H new ATOM 523 N ALA A 36 0.372 6.649 -0.695 1.00 0.00 N ATOM 524 CA ALA A 36 -0.303 5.377 -0.999 1.00 0.00 C ATOM 525 C ALA A 36 0.677 4.201 -0.961 1.00 0.00 C ATOM 526 O ALA A 36 1.863 4.399 -0.738 1.00 0.00 O ATOM 527 CB ALA A 36 -1.088 5.424 -2.314 1.00 0.00 C ATOM 0 H ALA A 36 1.316 6.722 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.040 5.217 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.565 4.459 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.851 6.201 -2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.408 5.645 -3.136 1.00 0.00 H new ATOM 533 N ILE A 37 0.110 3.019 -0.827 1.00 0.00 N ATOM 534 CA ILE A 37 0.921 1.799 -0.664 1.00 0.00 C ATOM 535 C ILE A 37 0.614 0.892 -1.837 1.00 0.00 C ATOM 536 O ILE A 37 -0.502 0.417 -1.982 1.00 0.00 O ATOM 537 CB ILE A 37 0.645 1.134 0.684 1.00 0.00 C ATOM 538 CG1 ILE A 37 0.812 2.148 1.812 1.00 0.00 C ATOM 539 CG2 ILE A 37 1.457 -0.150 0.891 1.00 0.00 C ATOM 540 CD1 ILE A 37 2.143 2.902 1.941 1.00 0.00 C ATOM 0 H ILE A 37 -0.898 2.863 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 37 1.985 2.034 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.393 0.802 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.021 2.891 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.636 1.626 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.219 -0.578 1.865 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.208 -0.868 0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.521 0.081 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.095 3.582 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.952 2.188 2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.328 3.472 1.031 1.00 0.00 H new ATOM 552 N ILE A 38 1.598 0.910 -2.724 1.00 0.00 N ATOM 553 CA ILE A 38 1.609 0.139 -3.976 1.00 0.00 C ATOM 554 C ILE A 38 1.721 -1.353 -3.627 1.00 0.00 C ATOM 555 O ILE A 38 2.719 -1.756 -3.075 1.00 0.00 O ATOM 556 CB ILE A 38 2.783 0.699 -4.793 1.00 0.00 C ATOM 557 CG1 ILE A 38 2.244 1.833 -5.634 1.00 0.00 C ATOM 558 CG2 ILE A 38 3.496 -0.284 -5.700 1.00 0.00 C ATOM 559 CD1 ILE A 38 3.206 3.008 -5.522 1.00 0.00 C ATOM 0 H ILE A 38 2.438 1.474 -2.597 1.00 0.00 H new ATOM 0 HA ILE A 38 0.702 0.229 -4.574 1.00 0.00 H new ATOM 0 HB ILE A 38 3.539 1.004 -4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.144 1.521 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.250 2.121 -5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.305 0.225 -6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.907 -1.098 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.790 -0.687 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.836 3.839 -6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.282 3.318 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.190 2.709 -5.884 1.00 0.00 H new ATOM 571 N PHE A 39 0.623 -2.062 -3.836 1.00 0.00 N ATOM 572 CA PHE A 39 0.510 -3.509 -3.607 1.00 0.00 C ATOM 573 C PHE A 39 0.572 -4.286 -4.920 1.00 0.00 C ATOM 574 O PHE A 39 0.074 -3.827 -5.944 1.00 0.00 O ATOM 575 CB PHE A 39 -0.806 -3.812 -2.888 1.00 0.00 C ATOM 576 CG PHE A 39 -0.799 -3.270 -1.454 1.00 0.00 C ATOM 577 CD1 PHE A 39 -0.051 -3.987 -0.507 1.00 0.00 C ATOM 578 CD2 PHE A 39 -1.635 -2.199 -1.042 1.00 0.00 C ATOM 579 CE1 PHE A 39 -0.159 -3.683 0.856 1.00 0.00 C ATOM 580 CE2 PHE A 39 -1.716 -1.878 0.329 1.00 0.00 C ATOM 581 CZ PHE A 39 -0.999 -2.640 1.275 1.00 0.00 C ATOM 0 H PHE A 39 -0.242 -1.644 -4.179 1.00 0.00 H new ATOM 0 HA PHE A 39 1.351 -3.824 -2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.635 -3.370 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.973 -4.889 -2.870 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.611 -4.777 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.202 -1.637 -1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.403 -4.250 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.327 -1.049 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.097 -2.419 2.328 1.00 0.00 H new ATOM 591 N HIS A 40 1.194 -5.448 -4.863 1.00 0.00 N ATOM 592 CA HIS A 40 1.379 -6.342 -6.034 1.00 0.00 C ATOM 593 C HIS A 40 1.046 -7.747 -5.569 1.00 0.00 C ATOM 594 O HIS A 40 1.865 -8.487 -5.020 1.00 0.00 O ATOM 595 CB HIS A 40 2.834 -6.336 -6.516 1.00 0.00 C ATOM 596 CG HIS A 40 3.419 -4.932 -6.586 1.00 0.00 C ATOM 597 ND1 HIS A 40 3.113 -4.033 -7.503 1.00 0.00 N ATOM 598 CD2 HIS A 40 4.384 -4.452 -5.823 1.00 0.00 C ATOM 599 CE1 HIS A 40 3.937 -3.006 -7.335 1.00 0.00 C ATOM 600 NE2 HIS A 40 4.693 -3.246 -6.271 1.00 0.00 N ATOM 0 H HIS A 40 1.596 -5.819 -4.002 1.00 0.00 H new ATOM 0 HA HIS A 40 0.744 -6.006 -6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.439 -6.945 -5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.889 -6.799 -7.501 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.840 -4.954 -4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.984 -2.125 -7.958 1.00 0.00 H new ATOM 0 HE2 HIS A 40 5.387 -2.615 -5.871 1.00 0.00 H new ATOM 609 N THR A 41 -0.255 -7.919 -5.449 1.00 0.00 N ATOM 610 CA THR A 41 -0.844 -9.191 -5.004 1.00 0.00 C ATOM 611 C THR A 41 -0.559 -10.286 -6.047 1.00 0.00 C ATOM 612 O THR A 41 0.080 -10.059 -7.073 1.00 0.00 O ATOM 613 CB THR A 41 -2.341 -8.994 -4.813 1.00 0.00 C ATOM 614 OG1 THR A 41 -2.942 -8.851 -6.098 1.00 0.00 O ATOM 615 CG2 THR A 41 -2.635 -7.803 -3.901 1.00 0.00 C ATOM 0 H THR A 41 -0.941 -7.192 -5.653 1.00 0.00 H new ATOM 0 HA THR A 41 -0.403 -9.504 -4.057 1.00 0.00 H new ATOM 0 HB THR A 41 -2.770 -9.863 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.311 -8.414 -6.708 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.713 -7.690 -3.786 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.181 -7.972 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.221 -6.896 -4.342 1.00 0.00 H new ATOM 623 N LYS A 42 -1.080 -11.477 -5.785 1.00 0.00 N ATOM 624 CA LYS A 42 -0.905 -12.598 -6.739 1.00 0.00 C ATOM 625 C LYS A 42 -2.008 -12.684 -7.815 1.00 0.00 C ATOM 626 O LYS A 42 -1.901 -13.465 -8.754 1.00 0.00 O ATOM 627 CB LYS A 42 -0.682 -13.939 -6.034 1.00 0.00 C ATOM 628 CG LYS A 42 -1.876 -14.497 -5.249 1.00 0.00 C ATOM 629 CD LYS A 42 -1.820 -14.157 -3.763 1.00 0.00 C ATOM 630 CE LYS A 42 -2.829 -15.011 -2.997 1.00 0.00 C ATOM 631 NZ LYS A 42 -2.127 -15.989 -2.158 1.00 0.00 N ATOM 0 H LYS A 42 -1.616 -11.703 -4.947 1.00 0.00 H new ATOM 0 HA LYS A 42 0.011 -12.364 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.390 -14.675 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.158 -13.830 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.799 -14.102 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.908 -15.580 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.815 -14.332 -3.378 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.038 -13.099 -3.614 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.460 -14.374 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.487 -15.526 -3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.822 -16.565 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.544 -16.606 -2.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -1.517 -15.490 -1.479 1.00 0.00 H new ATOM 645 N LYS A 43 -3.049 -11.878 -7.643 1.00 0.00 N ATOM 646 CA LYS A 43 -4.229 -11.856 -8.538 1.00 0.00 C ATOM 647 C LYS A 43 -4.839 -10.447 -8.669 1.00 0.00 C ATOM 648 O LYS A 43 -6.051 -10.246 -8.635 1.00 0.00 O ATOM 649 CB LYS A 43 -5.237 -12.866 -7.979 1.00 0.00 C ATOM 650 CG LYS A 43 -6.230 -13.417 -8.996 1.00 0.00 C ATOM 651 CD LYS A 43 -5.810 -14.808 -9.477 1.00 0.00 C ATOM 652 CE LYS A 43 -7.040 -15.611 -9.931 1.00 0.00 C ATOM 653 NZ LYS A 43 -7.421 -16.564 -8.878 1.00 0.00 N ATOM 0 H LYS A 43 -3.111 -11.210 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.935 -12.131 -9.551 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.688 -13.700 -7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.794 -12.391 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.223 -13.468 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.298 -12.739 -9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.103 -14.717 -10.301 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.297 -15.338 -8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.870 -14.937 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.818 -16.144 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.253 -17.107 -9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.631 -17.215 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.649 -16.045 -8.006 1.00 0.00 H new ATOM 667 N ARG A 44 -3.958 -9.439 -8.723 1.00 0.00 N ATOM 668 CA ARG A 44 -4.327 -8.020 -8.885 1.00 0.00 C ATOM 669 C ARG A 44 -3.042 -7.239 -9.129 1.00 0.00 C ATOM 670 O ARG A 44 -2.005 -7.457 -8.495 1.00 0.00 O ATOM 671 CB ARG A 44 -4.967 -7.469 -7.606 1.00 0.00 C ATOM 672 CG ARG A 44 -6.193 -6.601 -7.852 1.00 0.00 C ATOM 673 CD ARG A 44 -6.769 -6.213 -6.484 1.00 0.00 C ATOM 674 NE ARG A 44 -8.130 -5.700 -6.649 1.00 0.00 N ATOM 675 CZ ARG A 44 -9.222 -6.424 -6.910 1.00 0.00 C ATOM 676 NH1 ARG A 44 -9.185 -7.757 -6.976 1.00 0.00 N ATOM 677 NH2 ARG A 44 -10.388 -5.825 -7.105 1.00 0.00 N ATOM 0 H ARG A 44 -2.951 -9.586 -8.654 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.036 -7.926 -9.707 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.248 -8.304 -6.964 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.224 -6.885 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.924 -5.711 -8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.934 -7.143 -8.440 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.774 -7.079 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.139 -5.457 -6.015 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.257 -4.692 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.305 -8.251 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.036 -8.281 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.454 -4.808 -7.056 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.220 -6.381 -7.304 1.00 0.00 H new ATOM 691 N LYS A 45 -3.149 -6.355 -10.111 1.00 0.00 N ATOM 692 CA LYS A 45 -2.049 -5.461 -10.506 1.00 0.00 C ATOM 693 C LYS A 45 -1.724 -4.464 -9.368 1.00 0.00 C ATOM 694 O LYS A 45 -2.268 -4.565 -8.271 1.00 0.00 O ATOM 695 CB LYS A 45 -2.454 -4.798 -11.815 1.00 0.00 C ATOM 696 CG LYS A 45 -1.241 -4.718 -12.738 1.00 0.00 C ATOM 697 CD LYS A 45 -1.638 -4.828 -14.206 1.00 0.00 C ATOM 698 CE LYS A 45 -0.408 -4.957 -15.121 1.00 0.00 C ATOM 699 NZ LYS A 45 0.261 -6.260 -14.948 1.00 0.00 N ATOM 0 H LYS A 45 -3.998 -6.231 -10.662 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.120 -6.007 -10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.251 -5.367 -12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.846 -3.799 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.720 -3.775 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.542 -5.517 -12.490 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.286 -5.694 -14.344 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.215 -3.949 -14.494 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.713 -4.839 -16.161 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.296 -4.154 -14.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.929 -6.414 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.777 -6.268 -14.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.451 -7.018 -14.947 1.00 0.00 H new ATOM 713 N SER A 46 -0.803 -3.548 -9.638 1.00 0.00 N ATOM 714 CA SER A 46 -0.394 -2.497 -8.687 1.00 0.00 C ATOM 715 C SER A 46 -1.595 -1.767 -8.074 1.00 0.00 C ATOM 716 O SER A 46 -2.465 -1.238 -8.758 1.00 0.00 O ATOM 717 CB SER A 46 0.589 -1.517 -9.334 1.00 0.00 C ATOM 718 OG SER A 46 0.465 -1.534 -10.754 1.00 0.00 O ATOM 0 H SER A 46 -0.308 -3.505 -10.529 1.00 0.00 H new ATOM 0 HA SER A 46 0.122 -2.994 -7.865 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.403 -0.510 -8.961 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.609 -1.779 -9.051 1.00 0.00 H new ATOM 0 HG SER A 46 1.101 -0.899 -11.146 1.00 0.00 H new ATOM 724 N VAL A 47 -1.667 -1.917 -6.759 1.00 0.00 N ATOM 725 CA VAL A 47 -2.784 -1.412 -5.927 1.00 0.00 C ATOM 726 C VAL A 47 -2.253 -0.353 -4.959 1.00 0.00 C ATOM 727 O VAL A 47 -1.639 -0.683 -3.948 1.00 0.00 O ATOM 728 CB VAL A 47 -3.453 -2.632 -5.256 1.00 0.00 C ATOM 729 CG1 VAL A 47 -4.068 -2.405 -3.861 1.00 0.00 C ATOM 730 CG2 VAL A 47 -4.496 -3.214 -6.204 1.00 0.00 C ATOM 0 H VAL A 47 -0.948 -2.398 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.554 -0.907 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.637 -3.329 -5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.505 -3.336 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.291 -2.077 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.843 -1.641 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.972 -4.076 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.250 -2.458 -6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.013 -3.525 -7.130 1.00 0.00 H new ATOM 740 N CYS A 48 -2.506 0.908 -5.279 1.00 0.00 N ATOM 741 CA CYS A 48 -1.997 2.033 -4.473 1.00 0.00 C ATOM 742 C CYS A 48 -3.074 2.472 -3.482 1.00 0.00 C ATOM 743 O CYS A 48 -4.133 2.983 -3.857 1.00 0.00 O ATOM 744 CB CYS A 48 -1.612 3.222 -5.365 1.00 0.00 C ATOM 745 SG CYS A 48 -0.881 2.760 -6.968 1.00 0.00 S ATOM 0 H CYS A 48 -3.059 1.188 -6.089 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.107 1.700 -3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.501 3.826 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.904 3.850 -4.825 1.00 0.00 H new ATOM 750 N ALA A 49 -2.826 2.133 -2.226 1.00 0.00 N ATOM 751 CA ALA A 49 -3.795 2.417 -1.154 1.00 0.00 C ATOM 752 C ALA A 49 -3.254 3.360 -0.076 1.00 0.00 C ATOM 753 O ALA A 49 -2.215 3.075 0.516 1.00 0.00 O ATOM 754 CB ALA A 49 -4.117 1.073 -0.533 1.00 0.00 C ATOM 0 H ALA A 49 -1.974 1.665 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.665 2.922 -1.574 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.835 1.209 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.543 0.415 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.205 0.627 -0.137 1.00 0.00 H new ATOM 760 N ASP A 50 -4.012 4.395 0.261 1.00 0.00 N ATOM 761 CA ASP A 50 -3.580 5.370 1.275 1.00 0.00 C ATOM 762 C ASP A 50 -3.231 4.689 2.618 1.00 0.00 C ATOM 763 O ASP A 50 -4.072 3.932 3.114 1.00 0.00 O ATOM 764 CB ASP A 50 -4.645 6.432 1.504 1.00 0.00 C ATOM 765 CG ASP A 50 -4.102 7.849 1.297 1.00 0.00 C ATOM 766 OD1 ASP A 50 -4.129 8.290 0.128 1.00 0.00 O ATOM 767 OD2 ASP A 50 -3.759 8.498 2.308 1.00 0.00 O ATOM 0 H ASP A 50 -4.927 4.588 -0.147 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.679 5.845 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.479 6.261 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.037 6.339 2.517 1.00 0.00 H new ATOM 773 N PRO A 51 -2.043 4.928 3.201 1.00 0.00 N ATOM 774 CA PRO A 51 -1.605 4.325 4.481 1.00 0.00 C ATOM 775 C PRO A 51 -2.329 4.877 5.704 1.00 0.00 C ATOM 776 O PRO A 51 -1.743 5.241 6.719 1.00 0.00 O ATOM 777 CB PRO A 51 -0.092 4.535 4.524 1.00 0.00 C ATOM 778 CG PRO A 51 0.139 5.785 3.680 1.00 0.00 C ATOM 779 CD PRO A 51 -0.961 5.725 2.617 1.00 0.00 C ATOM 0 HA PRO A 51 -1.861 3.266 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.261 4.674 5.546 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.441 3.676 4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.064 6.691 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.131 5.783 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.309 6.725 2.358 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.592 5.268 1.699 1.00 0.00 H new ATOM 787 N LYS A 52 -3.648 4.919 5.562 1.00 0.00 N ATOM 788 CA LYS A 52 -4.571 5.483 6.568 1.00 0.00 C ATOM 789 C LYS A 52 -5.597 4.434 7.052 1.00 0.00 C ATOM 790 O LYS A 52 -6.383 4.680 7.955 1.00 0.00 O ATOM 791 CB LYS A 52 -5.328 6.704 5.995 1.00 0.00 C ATOM 792 CG LYS A 52 -4.513 7.693 5.146 1.00 0.00 C ATOM 793 CD LYS A 52 -3.164 8.087 5.749 1.00 0.00 C ATOM 794 CE LYS A 52 -3.025 9.577 5.989 1.00 0.00 C ATOM 795 NZ LYS A 52 -2.436 9.709 7.335 1.00 0.00 N ATOM 0 H LYS A 52 -4.125 4.559 4.735 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.963 5.795 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.154 6.336 5.387 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.766 7.253 6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.343 7.254 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.106 8.595 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.029 7.560 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.366 7.758 5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.387 10.038 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.993 10.075 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.313 10.716 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.068 9.270 8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.511 9.234 7.357 1.00 0.00 H new ATOM 809 N GLN A 53 -5.599 3.294 6.376 1.00 0.00 N ATOM 810 CA GLN A 53 -6.457 2.158 6.710 1.00 0.00 C ATOM 811 C GLN A 53 -5.682 1.199 7.620 1.00 0.00 C ATOM 812 O GLN A 53 -4.461 1.237 7.665 1.00 0.00 O ATOM 813 CB GLN A 53 -6.835 1.449 5.410 1.00 0.00 C ATOM 814 CG GLN A 53 -7.759 2.306 4.536 1.00 0.00 C ATOM 815 CD GLN A 53 -7.306 2.303 3.077 1.00 0.00 C ATOM 816 OE1 GLN A 53 -6.145 2.422 2.728 1.00 0.00 O ATOM 817 NE2 GLN A 53 -8.223 2.191 2.156 1.00 0.00 N ATOM 0 H GLN A 53 -4.998 3.126 5.569 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.357 2.491 7.227 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.930 1.207 4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.328 0.505 5.642 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.779 1.928 4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.773 3.329 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.203 2.090 2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.960 2.204 1.170 1.00 0.00 H new ATOM 826 N ASN A 54 -6.406 0.195 8.095 1.00 0.00 N ATOM 827 CA ASN A 54 -5.858 -0.873 8.948 1.00 0.00 C ATOM 828 C ASN A 54 -5.097 -1.920 8.133 1.00 0.00 C ATOM 829 O ASN A 54 -3.904 -2.106 8.364 1.00 0.00 O ATOM 830 CB ASN A 54 -6.970 -1.503 9.790 1.00 0.00 C ATOM 831 CG ASN A 54 -8.112 -2.053 8.928 1.00 0.00 C ATOM 832 OD1 ASN A 54 -8.702 -1.367 8.107 1.00 0.00 O ATOM 833 ND2 ASN A 54 -8.267 -3.353 8.925 1.00 0.00 N ATOM 0 H ASN A 54 -7.402 0.090 7.902 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.132 -0.425 9.627 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.553 -2.309 10.394 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -7.365 -0.759 10.481 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.880 -3.792 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.775 -3.927 9.610 1.00 0.00 H new ATOM 840 N TRP A 55 -5.668 -2.358 7.008 1.00 0.00 N ATOM 841 CA TRP A 55 -5.020 -3.364 6.129 1.00 0.00 C ATOM 842 C TRP A 55 -3.723 -2.829 5.497 1.00 0.00 C ATOM 843 O TRP A 55 -2.673 -3.454 5.571 1.00 0.00 O ATOM 844 CB TRP A 55 -6.017 -3.827 5.053 1.00 0.00 C ATOM 845 CG TRP A 55 -6.320 -2.751 4.002 1.00 0.00 C ATOM 846 CD1 TRP A 55 -7.190 -1.739 4.125 1.00 0.00 C ATOM 847 CD2 TRP A 55 -5.741 -2.655 2.738 1.00 0.00 C ATOM 848 NE1 TRP A 55 -7.174 -0.999 3.019 1.00 0.00 N ATOM 849 CE2 TRP A 55 -6.362 -1.556 2.117 1.00 0.00 C ATOM 850 CE3 TRP A 55 -4.854 -3.473 2.021 1.00 0.00 C ATOM 851 CZ2 TRP A 55 -6.134 -1.295 0.753 1.00 0.00 C ATOM 852 CZ3 TRP A 55 -4.669 -3.240 0.644 1.00 0.00 C ATOM 853 CH2 TRP A 55 -5.305 -2.149 0.013 1.00 0.00 C ATOM 0 H TRP A 55 -6.578 -2.038 6.675 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.734 -4.219 6.741 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.618 -4.710 4.554 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.948 -4.126 5.535 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.810 -1.552 4.990 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.702 -0.137 2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.321 -4.270 2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.595 -0.441 0.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.037 -3.900 0.068 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.153 -1.972 -1.041 1.00 0.00 H new ATOM 864 N VAL A 56 -3.808 -1.582 5.024 1.00 0.00 N ATOM 865 CA VAL A 56 -2.681 -0.840 4.437 1.00 0.00 C ATOM 866 C VAL A 56 -1.573 -0.649 5.467 1.00 0.00 C ATOM 867 O VAL A 56 -0.474 -1.134 5.268 1.00 0.00 O ATOM 868 CB VAL A 56 -3.131 0.521 3.904 1.00 0.00 C ATOM 869 CG1 VAL A 56 -1.994 1.211 3.201 1.00 0.00 C ATOM 870 CG2 VAL A 56 -4.094 0.367 2.771 1.00 0.00 C ATOM 0 H VAL A 56 -4.677 -1.048 5.037 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.298 -1.427 3.603 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.532 1.049 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.330 2.178 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.170 1.358 3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.656 0.597 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.396 1.352 2.414 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.617 -0.183 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.973 -0.180 3.112 1.00 0.00 H new ATOM 880 N LYS A 57 -1.937 0.012 6.573 1.00 0.00 N ATOM 881 CA LYS A 57 -0.973 0.231 7.677 1.00 0.00 C ATOM 882 C LYS A 57 -0.388 -1.096 8.173 1.00 0.00 C ATOM 883 O LYS A 57 0.802 -1.138 8.407 1.00 0.00 O ATOM 884 CB LYS A 57 -1.582 1.036 8.833 1.00 0.00 C ATOM 885 CG LYS A 57 -2.457 0.201 9.772 1.00 0.00 C ATOM 886 CD LYS A 57 -3.093 1.005 10.891 1.00 0.00 C ATOM 887 CE LYS A 57 -2.081 1.257 11.997 1.00 0.00 C ATOM 888 NZ LYS A 57 -2.611 2.394 12.753 1.00 0.00 N ATOM 0 H LYS A 57 -2.867 0.399 6.733 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.158 0.830 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.777 1.491 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.180 1.850 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.243 -0.279 9.190 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.851 -0.594 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.462 1.954 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.953 0.468 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.967 0.380 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.097 1.482 11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.963 2.624 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.702 3.217 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.545 2.149 13.139 1.00 0.00 H new ATOM 902 N ARG A 58 -1.187 -2.158 8.231 1.00 0.00 N ATOM 903 CA ARG A 58 -0.751 -3.501 8.644 1.00 0.00 C ATOM 904 C ARG A 58 0.291 -4.101 7.694 1.00 0.00 C ATOM 905 O ARG A 58 1.344 -4.574 8.120 1.00 0.00 O ATOM 906 CB ARG A 58 -1.913 -4.484 8.737 1.00 0.00 C ATOM 907 CG ARG A 58 -2.656 -4.334 10.067 1.00 0.00 C ATOM 908 CD ARG A 58 -4.061 -4.920 9.929 1.00 0.00 C ATOM 909 NE ARG A 58 -4.344 -5.860 11.024 1.00 0.00 N ATOM 910 CZ ARG A 58 -3.883 -7.102 11.133 1.00 0.00 C ATOM 911 NH1 ARG A 58 -3.068 -7.629 10.222 1.00 0.00 N ATOM 912 NH2 ARG A 58 -4.201 -7.843 12.180 1.00 0.00 N ATOM 0 H ARG A 58 -2.177 -2.115 7.989 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.307 -3.356 9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.603 -4.315 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.540 -5.503 8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.112 -4.846 10.861 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.714 -3.282 10.348 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.797 -4.116 9.934 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.154 -5.432 8.971 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.953 -5.527 11.772 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.781 -7.077 9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.730 -8.585 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.803 -7.463 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.844 -8.795 12.258 1.00 0.00 H new ATOM 926 N ALA A 59 0.038 -3.943 6.399 1.00 0.00 N ATOM 927 CA ALA A 59 1.003 -4.369 5.381 1.00 0.00 C ATOM 928 C ALA A 59 2.292 -3.518 5.474 1.00 0.00 C ATOM 929 O ALA A 59 3.365 -4.065 5.731 1.00 0.00 O ATOM 930 CB ALA A 59 0.328 -4.268 4.027 1.00 0.00 C ATOM 0 H ALA A 59 -0.817 -3.528 6.028 1.00 0.00 H new ATOM 0 HA ALA A 59 1.311 -5.403 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.025 -4.580 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.549 -4.915 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.023 -3.237 3.849 1.00 0.00 H new ATOM 936 N VAL A 60 2.110 -2.205 5.614 1.00 0.00 N ATOM 937 CA VAL A 60 3.215 -1.250 5.831 1.00 0.00 C ATOM 938 C VAL A 60 3.914 -1.504 7.176 1.00 0.00 C ATOM 939 O VAL A 60 5.093 -1.202 7.297 1.00 0.00 O ATOM 940 CB VAL A 60 2.743 0.211 5.735 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.858 1.254 5.889 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.135 0.421 4.357 1.00 0.00 C ATOM 0 H VAL A 60 1.191 -1.764 5.581 1.00 0.00 H new ATOM 0 HA VAL A 60 3.937 -1.415 5.031 1.00 0.00 H new ATOM 0 HB VAL A 60 2.042 0.357 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.434 2.255 5.808 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.332 1.139 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.601 1.110 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.792 1.451 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.886 0.218 3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.291 -0.256 4.225 1.00 0.00 H new ATOM 952 N ASN A 61 3.217 -2.067 8.150 1.00 0.00 N ATOM 953 CA ASN A 61 3.738 -2.367 9.492 1.00 0.00 C ATOM 954 C ASN A 61 4.837 -3.437 9.422 1.00 0.00 C ATOM 955 O ASN A 61 5.981 -3.174 9.776 1.00 0.00 O ATOM 956 CB ASN A 61 2.581 -2.861 10.361 1.00 0.00 C ATOM 957 CG ASN A 61 2.987 -2.916 11.830 1.00 0.00 C ATOM 958 OD1 ASN A 61 3.577 -3.875 12.317 1.00 0.00 O ATOM 959 ND2 ASN A 61 2.713 -1.840 12.517 1.00 0.00 N ATOM 0 H ASN A 61 2.241 -2.340 8.034 1.00 0.00 H new ATOM 0 HA ASN A 61 4.175 -1.466 9.923 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.723 -2.199 10.241 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.269 -3.851 10.029 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.992 -1.775 13.496 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.220 -1.064 12.075 1.00 0.00 H new ATOM 966 N LEU A 62 4.488 -4.579 8.834 1.00 0.00 N ATOM 967 CA LEU A 62 5.470 -5.640 8.551 1.00 0.00 C ATOM 968 C LEU A 62 6.606 -5.154 7.643 1.00 0.00 C ATOM 969 O LEU A 62 7.777 -5.329 7.964 1.00 0.00 O ATOM 970 CB LEU A 62 4.810 -6.911 8.013 1.00 0.00 C ATOM 971 CG LEU A 62 4.105 -7.678 9.131 1.00 0.00 C ATOM 972 CD1 LEU A 62 2.629 -7.288 9.240 1.00 0.00 C ATOM 973 CD2 LEU A 62 4.208 -9.173 8.866 1.00 0.00 C ATOM 0 H LEU A 62 3.536 -4.800 8.542 1.00 0.00 H new ATOM 0 HA LEU A 62 5.924 -5.902 9.507 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.091 -6.651 7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.563 -7.548 7.549 1.00 0.00 H new ATOM 0 HG LEU A 62 4.595 -7.424 10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.162 -7.854 10.046 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.549 -6.222 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.124 -7.510 8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.705 -9.719 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.735 -9.407 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.258 -9.465 8.832 1.00 0.00 H new ATOM 985 N LEU A 63 6.248 -4.329 6.653 1.00 0.00 N ATOM 986 CA LEU A 63 7.230 -3.616 5.809 1.00 0.00 C ATOM 987 C LEU A 63 8.131 -2.664 6.613 1.00 0.00 C ATOM 988 O LEU A 63 9.296 -2.521 6.278 1.00 0.00 O ATOM 989 CB LEU A 63 6.498 -2.879 4.685 1.00 0.00 C ATOM 990 CG LEU A 63 7.230 -1.721 3.979 1.00 0.00 C ATOM 991 CD1 LEU A 63 6.852 -1.647 2.497 1.00 0.00 C ATOM 992 CD2 LEU A 63 6.897 -0.410 4.674 1.00 0.00 C ATOM 0 H LEU A 63 5.277 -4.133 6.410 1.00 0.00 H new ATOM 0 HA LEU A 63 7.900 -4.360 5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.226 -3.613 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.568 -2.485 5.095 1.00 0.00 H new ATOM 0 HG LEU A 63 8.303 -1.902 4.039 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.384 -0.820 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.124 -2.581 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.778 -1.487 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.415 0.409 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.821 -0.239 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.216 -0.459 5.715 1.00 0.00 H new ATOM 1004 N SER A 64 7.563 -1.979 7.590 1.00 0.00 N ATOM 1005 CA SER A 64 8.262 -0.999 8.437 1.00 0.00 C ATOM 1006 C SER A 64 9.397 -1.685 9.182 1.00 0.00 C ATOM 1007 O SER A 64 10.523 -1.234 9.081 1.00 0.00 O ATOM 1008 CB SER A 64 7.305 -0.361 9.448 1.00 0.00 C ATOM 1009 OG SER A 64 7.356 1.062 9.370 1.00 0.00 O ATOM 0 H SER A 64 6.577 -2.084 7.831 1.00 0.00 H new ATOM 0 HA SER A 64 8.659 -0.214 7.793 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.288 -0.703 9.258 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.567 -0.683 10.456 1.00 0.00 H new ATOM 0 HG SER A 64 6.736 1.448 10.023 1.00 0.00 H new ATOM 1015 N LEU A 65 9.177 -2.917 9.642 1.00 0.00 N ATOM 1016 CA LEU A 65 10.271 -3.709 10.232 1.00 0.00 C ATOM 1017 C LEU A 65 11.250 -4.280 9.178 1.00 0.00 C ATOM 1018 O LEU A 65 12.409 -4.545 9.476 1.00 0.00 O ATOM 1019 CB LEU A 65 9.712 -4.739 11.230 1.00 0.00 C ATOM 1020 CG LEU A 65 9.337 -6.100 10.625 1.00 0.00 C ATOM 1021 CD1 LEU A 65 10.488 -7.087 10.839 1.00 0.00 C ATOM 1022 CD2 LEU A 65 8.069 -6.644 11.281 1.00 0.00 C ATOM 0 H LEU A 65 8.272 -3.386 9.622 1.00 0.00 H new ATOM 0 HA LEU A 65 10.905 -3.038 10.812 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.452 -4.900 12.014 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.828 -4.316 11.707 1.00 0.00 H new ATOM 0 HG LEU A 65 9.153 -5.973 9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.223 -8.053 10.410 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.387 -6.708 10.353 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.674 -7.203 11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.817 -7.609 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.237 -6.766 12.351 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.248 -5.946 11.120 1.00 0.00 H new ATOM 1034 N ARG A 66 10.761 -4.443 7.942 1.00 0.00 N ATOM 1035 CA ARG A 66 11.512 -4.971 6.792 1.00 0.00 C ATOM 1036 C ARG A 66 12.414 -3.900 6.146 1.00 0.00 C ATOM 1037 O ARG A 66 13.646 -3.972 6.242 1.00 0.00 O ATOM 1038 CB ARG A 66 10.515 -5.551 5.784 1.00 0.00 C ATOM 1039 CG ARG A 66 11.133 -6.206 4.543 1.00 0.00 C ATOM 1040 CD ARG A 66 11.563 -7.653 4.770 1.00 0.00 C ATOM 1041 NE ARG A 66 12.888 -7.789 5.420 1.00 0.00 N ATOM 1042 CZ ARG A 66 13.454 -8.960 5.735 1.00 0.00 C ATOM 1043 NH1 ARG A 66 12.829 -10.108 5.563 1.00 0.00 N ATOM 1044 NH2 ARG A 66 14.674 -8.996 6.268 1.00 0.00 N ATOM 0 H ARG A 66 9.798 -4.203 7.705 1.00 0.00 H new ATOM 0 HA ARG A 66 12.184 -5.757 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.899 -6.291 6.294 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.849 -4.752 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.411 -6.173 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.998 -5.623 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.814 -8.152 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.585 -8.170 3.811 1.00 0.00 H new ATOM 0 HE ARG A 66 13.401 -6.936 5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.884 -10.122 5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.290 -10.982 5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.182 -8.128 6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.100 -9.892 6.506 1.00 0.00 H new ATOM 1058 N VAL A 67 11.791 -2.870 5.578 1.00 0.00 N ATOM 1059 CA VAL A 67 12.441 -1.711 4.905 1.00 0.00 C ATOM 1060 C VAL A 67 12.716 -0.590 5.943 1.00 0.00 C ATOM 1061 O VAL A 67 12.552 0.602 5.684 1.00 0.00 O ATOM 1062 CB VAL A 67 11.559 -1.247 3.711 1.00 0.00 C ATOM 1063 CG1 VAL A 67 12.188 -0.119 2.890 1.00 0.00 C ATOM 1064 CG2 VAL A 67 11.283 -2.386 2.725 1.00 0.00 C ATOM 0 H VAL A 67 10.773 -2.802 5.565 1.00 0.00 H new ATOM 0 HA VAL A 67 13.409 -1.995 4.492 1.00 0.00 H new ATOM 0 HB VAL A 67 10.642 -0.897 4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.519 0.154 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.353 0.748 3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.141 -0.455 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.664 -2.017 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.227 -2.759 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.762 -3.194 3.239 1.00 0.00 H new ATOM 1074 N LYS A 68 13.137 -1.023 7.134 1.00 0.00 N ATOM 1075 CA LYS A 68 13.562 -0.163 8.260 1.00 0.00 C ATOM 1076 C LYS A 68 13.970 -1.041 9.458 1.00 0.00 C ATOM 1077 O LYS A 68 13.193 -1.335 10.371 1.00 0.00 O ATOM 1078 CB LYS A 68 12.496 0.831 8.738 1.00 0.00 C ATOM 1079 CG LYS A 68 12.796 2.308 8.495 1.00 0.00 C ATOM 1080 CD LYS A 68 12.017 3.120 9.544 1.00 0.00 C ATOM 1081 CE LYS A 68 12.746 3.066 10.899 1.00 0.00 C ATOM 1082 NZ LYS A 68 11.786 3.148 12.002 1.00 0.00 N ATOM 0 H LYS A 68 13.196 -2.017 7.357 1.00 0.00 H new ATOM 0 HA LYS A 68 14.398 0.423 7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.555 0.587 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.344 0.683 9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.866 2.500 8.579 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.498 2.598 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.919 4.155 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.008 2.722 9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.317 2.141 10.975 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.459 3.888 10.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.295 3.110 12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.259 4.042 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.122 2.350 11.944 1.00 0.00 H new ATOM 1096 N LYS A 69 15.209 -1.496 9.380 1.00 0.00 N ATOM 1097 CA LYS A 69 15.832 -2.245 10.492 1.00 0.00 C ATOM 1098 C LYS A 69 15.976 -1.345 11.736 1.00 0.00 C ATOM 1099 O LYS A 69 16.162 -0.133 11.641 1.00 0.00 O ATOM 1100 CB LYS A 69 17.201 -2.807 10.128 1.00 0.00 C ATOM 1101 CG LYS A 69 17.077 -4.080 9.278 1.00 0.00 C ATOM 1102 CD LYS A 69 18.424 -4.813 9.285 1.00 0.00 C ATOM 1103 CE LYS A 69 18.451 -5.922 8.225 1.00 0.00 C ATOM 1104 NZ LYS A 69 19.333 -5.487 7.127 1.00 0.00 N ATOM 0 H LYS A 69 15.813 -1.368 8.568 1.00 0.00 H new ATOM 0 HA LYS A 69 15.169 -3.083 10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.770 -2.056 9.580 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.759 -3.028 11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.294 -4.725 9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.791 -3.826 8.257 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.229 -4.103 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.603 -5.242 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.815 -6.854 8.659 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.446 -6.115 7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 19.366 -6.225 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 18.965 -4.606 6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.291 -5.322 7.496 1.00 0.00 H new ATOM 1118 N MET A 70 15.858 -2.014 12.884 1.00 0.00 N ATOM 1119 CA MET A 70 15.876 -1.368 14.226 1.00 0.00 C ATOM 1120 C MET A 70 15.955 -2.410 15.362 1.00 0.00 C ATOM 1121 O MET A 70 15.127 -3.348 15.330 1.00 0.00 O ATOM 1122 CB MET A 70 14.598 -0.526 14.390 1.00 0.00 C ATOM 1123 CG MET A 70 14.625 0.434 15.579 1.00 0.00 C ATOM 1124 SD MET A 70 15.834 1.798 15.396 1.00 0.00 S ATOM 1125 CE MET A 70 15.069 2.991 16.483 1.00 0.00 C ATOM 1126 OXT MET A 70 16.855 -2.262 16.205 1.00 0.00 O ATOM 0 H MET A 70 15.746 -3.027 12.924 1.00 0.00 H new ATOM 0 HA MET A 70 16.763 -0.738 14.292 1.00 0.00 H new ATOM 0 HB2 MET A 70 14.436 0.048 13.478 1.00 0.00 H new ATOM 0 HB3 MET A 70 13.746 -1.197 14.499 1.00 0.00 H new ATOM 0 HG2 MET A 70 13.630 0.858 15.715 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.859 -0.128 16.483 1.00 0.00 H new ATOM 0 HE1 MET A 70 15.668 3.901 16.503 1.00 0.00 H new ATOM 0 HE2 MET A 70 14.068 3.223 16.121 1.00 0.00 H new ATOM 0 HE3 MET A 70 15.004 2.577 17.489 1.00 0.00 H new TER 1136 MET A 70