USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 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 21 ASN : amide:sc= -1.72 K(o=-1.6,f=-0.0092) USER MOD Set 1.2: A 24 SER OG : rot 139:sc= 0.151 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 5 MET CE :methyl -158:sc= -0.278 (180deg=-1.03) USER MOD Single : A 9 ASN : amide:sc= -0.921 K(o=-0.92,f=-1.9) USER MOD Single : A -1 THR OG1 : rot -43:sc= 0.0464 USER MOD Single : A -2 MET CE :methyl 139:sc= -1.04 (180deg=-4.37!) USER MOD Single : A -3 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.22) USER MOD Single : A -5 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0118 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 164:sc= -8.38! (180deg=-9.35!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0711 USER MOD Single : A 30 GLN : amide:sc= 0.195 X(o=0.2,f=-0.19) USER MOD Single : A 35 GLN : amide:sc= -0.652 K(o=-0.65,f=-0.0059) USER MOD Single : A 36 MET CE :methyl -99:sc= -0.0676 (180deg=-1.54) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 86:sc= 0.236 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.217 K(o=0.22,f=-1.4) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.38) USER MOD Single : A 57 GLN : amide:sc= -0.0706 X(o=-0.071,f=-0.058) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc=-0.00355 K(o=-0.0036,f=-1.3) USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= -0.641 (180deg=-1.35) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -30:sc= 0.666 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -5 4.831 -5.439 -15.435 1.00 0.00 N ATOM 2 CA SER A -5 3.760 -4.815 -16.203 1.00 0.00 C ATOM 3 C SER A -5 2.394 -5.187 -15.633 1.00 0.00 C ATOM 4 O SER A -5 1.801 -6.194 -16.020 1.00 0.00 O ATOM 5 CB SER A -5 3.844 -5.237 -17.671 1.00 0.00 C ATOM 6 OG SER A -5 5.000 -4.699 -18.291 1.00 0.00 O ATOM 0 H1 SER A -5 5.750 -5.172 -15.841 1.00 0.00 H new ATOM 0 H2 SER A -5 4.782 -5.118 -14.447 1.00 0.00 H new ATOM 0 H3 SER A -5 4.725 -6.473 -15.468 1.00 0.00 H new ATOM 0 HA SER A -5 3.881 -3.734 -16.135 1.00 0.00 H new ATOM 0 HB2 SER A -5 3.864 -6.325 -17.739 1.00 0.00 H new ATOM 0 HB3 SER A -5 2.953 -4.900 -18.201 1.00 0.00 H new ATOM 0 HG SER A -5 5.032 -4.985 -19.228 1.00 0.00 H new ATOM 12 N ASP A -4 1.902 -4.367 -14.711 1.00 0.00 N ATOM 13 CA ASP A -4 0.606 -4.608 -14.087 1.00 0.00 C ATOM 14 C ASP A -4 0.443 -6.080 -13.723 1.00 0.00 C ATOM 15 O ASP A -4 -0.618 -6.669 -13.935 1.00 0.00 O ATOM 16 CB ASP A -4 -0.523 -4.172 -15.022 1.00 0.00 C ATOM 17 CG ASP A -4 -0.417 -2.712 -15.418 1.00 0.00 C ATOM 18 OD1 ASP A -4 -0.971 -1.859 -14.693 1.00 0.00 O ATOM 19 OD2 ASP A -4 0.222 -2.423 -16.451 1.00 0.00 O ATOM 0 H ASP A -4 2.381 -3.530 -14.379 1.00 0.00 H new ATOM 0 HA ASP A -4 0.556 -4.019 -13.171 1.00 0.00 H new ATOM 0 HB2 ASP A -4 -0.507 -4.791 -15.919 1.00 0.00 H new ATOM 0 HB3 ASP A -4 -1.482 -4.344 -14.533 1.00 0.00 H new ATOM 24 N HIS A -3 1.502 -6.670 -13.177 1.00 0.00 N ATOM 25 CA HIS A -3 1.476 -8.075 -12.785 1.00 0.00 C ATOM 26 C HIS A -3 1.463 -8.215 -11.266 1.00 0.00 C ATOM 27 O HIS A -3 2.319 -7.664 -10.575 1.00 0.00 O ATOM 28 CB HIS A -3 2.684 -8.811 -13.366 1.00 0.00 C ATOM 29 CG HIS A -3 2.543 -9.139 -14.820 1.00 0.00 C ATOM 30 ND1 HIS A -3 1.424 -9.748 -15.349 1.00 0.00 N ATOM 31 CD2 HIS A -3 3.387 -8.938 -15.859 1.00 0.00 C ATOM 32 CE1 HIS A -3 1.587 -9.908 -16.650 1.00 0.00 C ATOM 33 NE2 HIS A -3 2.770 -9.425 -16.985 1.00 0.00 N ATOM 0 H HIS A -3 2.388 -6.198 -12.996 1.00 0.00 H new ATOM 0 HA HIS A -3 0.563 -8.520 -13.181 1.00 0.00 H new ATOM 0 HB2 HIS A -3 3.575 -8.199 -13.225 1.00 0.00 H new ATOM 0 HB3 HIS A -3 2.840 -9.734 -12.807 1.00 0.00 H new ATOM 0 HD2 HIS A -3 4.364 -8.480 -15.811 1.00 0.00 H new ATOM 0 HE1 HIS A -3 0.874 -10.357 -17.325 1.00 0.00 H new ATOM 0 HE2 HIS A -3 3.161 -9.415 -17.927 1.00 0.00 H new ATOM 42 N MET A -2 0.485 -8.954 -10.753 1.00 0.00 N ATOM 43 CA MET A -2 0.361 -9.166 -9.315 1.00 0.00 C ATOM 44 C MET A -2 0.506 -10.645 -8.969 1.00 0.00 C ATOM 45 O MET A -2 0.114 -11.082 -7.887 1.00 0.00 O ATOM 46 CB MET A -2 -0.987 -8.644 -8.815 1.00 0.00 C ATOM 47 CG MET A -2 -2.180 -9.390 -9.392 1.00 0.00 C ATOM 48 SD MET A -2 -2.653 -10.817 -8.398 1.00 0.00 S ATOM 49 CE MET A -2 -2.238 -12.158 -9.511 1.00 0.00 C ATOM 0 H MET A -2 -0.233 -9.416 -11.311 1.00 0.00 H new ATOM 0 HA MET A -2 1.162 -8.615 -8.822 1.00 0.00 H new ATOM 0 HB2 MET A -2 -1.015 -8.717 -7.728 1.00 0.00 H new ATOM 0 HB3 MET A -2 -1.074 -7.587 -9.066 1.00 0.00 H new ATOM 0 HG2 MET A -2 -3.027 -8.709 -9.469 1.00 0.00 H new ATOM 0 HG3 MET A -2 -1.943 -9.719 -10.404 1.00 0.00 H new ATOM 0 HE1 MET A -2 -1.774 -12.968 -8.948 1.00 0.00 H new ATOM 0 HE2 MET A -2 -3.144 -12.524 -9.994 1.00 0.00 H new ATOM 0 HE3 MET A -2 -1.542 -11.799 -10.270 1.00 0.00 H new ATOM 59 N THR A -1 1.073 -11.412 -9.895 1.00 0.00 N ATOM 60 CA THR A -1 1.269 -12.841 -9.689 1.00 0.00 C ATOM 61 C THR A -1 2.554 -13.114 -8.915 1.00 0.00 C ATOM 62 O THR A -1 2.748 -14.206 -8.381 1.00 0.00 O ATOM 63 CB THR A -1 1.319 -13.601 -11.028 1.00 0.00 C ATOM 64 OG1 THR A -1 1.192 -15.009 -10.797 1.00 0.00 O ATOM 65 CG2 THR A -1 2.620 -13.317 -11.763 1.00 0.00 C ATOM 0 H THR A -1 1.405 -11.067 -10.796 1.00 0.00 H new ATOM 0 HA THR A -1 0.416 -13.196 -9.110 1.00 0.00 H new ATOM 0 HB THR A -1 0.489 -13.259 -11.646 1.00 0.00 H new ATOM 0 HG1 THR A -1 1.744 -15.266 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A -1 2.632 -13.864 -12.705 1.00 0.00 H new ATOM 0 HG22 THR A -1 2.699 -12.248 -11.963 1.00 0.00 H new ATOM 0 HG23 THR A -1 3.462 -13.634 -11.148 1.00 0.00 H new ATOM 73 N MET A 1 3.428 -12.114 -8.857 1.00 0.00 N ATOM 74 CA MET A 1 4.694 -12.247 -8.146 1.00 0.00 C ATOM 75 C MET A 1 4.508 -11.992 -6.653 1.00 0.00 C ATOM 76 O MET A 1 3.429 -11.600 -6.210 1.00 0.00 O ATOM 77 CB MET A 1 5.728 -11.275 -8.716 1.00 0.00 C ATOM 78 CG MET A 1 7.165 -11.687 -8.442 1.00 0.00 C ATOM 79 SD MET A 1 8.306 -11.122 -9.719 1.00 0.00 S ATOM 80 CE MET A 1 8.739 -12.675 -10.499 1.00 0.00 C ATOM 0 H MET A 1 3.283 -11.204 -9.293 1.00 0.00 H new ATOM 0 HA MET A 1 5.053 -13.267 -8.281 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.582 -11.192 -9.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.556 -10.285 -8.294 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.477 -11.285 -7.478 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.219 -12.773 -8.367 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.441 -12.490 -11.312 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.200 -13.335 -9.764 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.840 -13.146 -10.896 1.00 0.00 H new ATOM 90 N SER A 2 5.568 -12.218 -5.883 1.00 0.00 N ATOM 91 CA SER A 2 5.520 -12.016 -4.439 1.00 0.00 C ATOM 92 C SER A 2 4.937 -10.647 -4.101 1.00 0.00 C ATOM 93 O SER A 2 4.990 -9.719 -4.909 1.00 0.00 O ATOM 94 CB SER A 2 6.920 -12.149 -3.838 1.00 0.00 C ATOM 95 OG SER A 2 7.365 -13.494 -3.875 1.00 0.00 O ATOM 0 H SER A 2 6.470 -12.541 -6.234 1.00 0.00 H new ATOM 0 HA SER A 2 4.874 -12.782 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.617 -11.517 -4.388 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.912 -11.793 -2.808 1.00 0.00 H new ATOM 0 HG SER A 2 8.263 -13.552 -3.487 1.00 0.00 H new ATOM 101 N LEU A 3 4.380 -10.529 -2.901 1.00 0.00 N ATOM 102 CA LEU A 3 3.786 -9.273 -2.453 1.00 0.00 C ATOM 103 C LEU A 3 4.813 -8.145 -2.480 1.00 0.00 C ATOM 104 O LEU A 3 4.458 -6.974 -2.609 1.00 0.00 O ATOM 105 CB LEU A 3 3.220 -9.429 -1.041 1.00 0.00 C ATOM 106 CG LEU A 3 2.026 -8.539 -0.695 1.00 0.00 C ATOM 107 CD1 LEU A 3 2.433 -7.074 -0.702 1.00 0.00 C ATOM 108 CD2 LEU A 3 0.880 -8.782 -1.666 1.00 0.00 C ATOM 0 H LEU A 3 4.327 -11.287 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 3 2.976 -9.018 -3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.925 -10.469 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.018 -9.226 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 3 1.685 -8.795 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.570 -6.456 -0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.220 -6.912 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.801 -6.803 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.039 -8.140 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.208 -8.555 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.571 -9.826 -1.610 1.00 0.00 H new ATOM 120 N GLN A 4 6.086 -8.508 -2.360 1.00 0.00 N ATOM 121 CA GLN A 4 7.164 -7.526 -2.372 1.00 0.00 C ATOM 122 C GLN A 4 7.083 -6.645 -3.615 1.00 0.00 C ATOM 123 O GLN A 4 7.101 -5.418 -3.519 1.00 0.00 O ATOM 124 CB GLN A 4 8.522 -8.227 -2.317 1.00 0.00 C ATOM 125 CG GLN A 4 8.675 -9.164 -1.130 1.00 0.00 C ATOM 126 CD GLN A 4 9.192 -8.458 0.108 1.00 0.00 C ATOM 127 OE1 GLN A 4 10.335 -8.659 0.520 1.00 0.00 O ATOM 128 NE2 GLN A 4 8.352 -7.624 0.709 1.00 0.00 N ATOM 0 H GLN A 4 6.396 -9.474 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 4 7.055 -6.893 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.667 -8.793 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.309 -7.474 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.711 -9.622 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.358 -9.971 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.413 -7.487 0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.645 -7.120 1.546 1.00 0.00 H new ATOM 137 N MET A 5 6.994 -7.279 -4.779 1.00 0.00 N ATOM 138 CA MET A 5 6.910 -6.552 -6.040 1.00 0.00 C ATOM 139 C MET A 5 5.818 -5.488 -5.983 1.00 0.00 C ATOM 140 O MET A 5 5.798 -4.562 -6.794 1.00 0.00 O ATOM 141 CB MET A 5 6.636 -7.519 -7.194 1.00 0.00 C ATOM 142 CG MET A 5 7.896 -8.125 -7.790 1.00 0.00 C ATOM 143 SD MET A 5 8.929 -6.904 -8.622 1.00 0.00 S ATOM 144 CE MET A 5 7.786 -6.272 -9.847 1.00 0.00 C ATOM 0 H MET A 5 6.978 -8.294 -4.875 1.00 0.00 H new ATOM 0 HA MET A 5 7.866 -6.057 -6.209 1.00 0.00 H new ATOM 0 HB2 MET A 5 5.989 -8.321 -6.839 1.00 0.00 H new ATOM 0 HB3 MET A 5 6.090 -6.992 -7.977 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.473 -8.604 -6.999 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.619 -8.904 -8.500 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.344 -5.820 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.175 -7.089 -10.231 1.00 0.00 H new ATOM 0 HE3 MET A 5 7.142 -5.521 -9.390 1.00 0.00 H new ATOM 154 N ILE A 6 4.913 -5.628 -5.021 1.00 0.00 N ATOM 155 CA ILE A 6 3.819 -4.678 -4.858 1.00 0.00 C ATOM 156 C ILE A 6 4.175 -3.598 -3.842 1.00 0.00 C ATOM 157 O ILE A 6 4.272 -2.418 -4.182 1.00 0.00 O ATOM 158 CB ILE A 6 2.525 -5.382 -4.410 1.00 0.00 C ATOM 159 CG1 ILE A 6 2.262 -6.615 -5.277 1.00 0.00 C ATOM 160 CG2 ILE A 6 1.348 -4.420 -4.479 1.00 0.00 C ATOM 161 CD1 ILE A 6 2.208 -6.313 -6.758 1.00 0.00 C ATOM 0 H ILE A 6 4.915 -6.390 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 6 3.654 -4.217 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 6 2.645 -5.707 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.044 -7.352 -5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.319 -7.069 -4.972 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.440 -4.932 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.535 -3.569 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.225 -4.069 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.018 -7.233 -7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.407 -5.600 -6.955 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.159 -5.888 -7.078 1.00 0.00 H new ATOM 173 N VAL A 7 4.371 -4.009 -2.593 1.00 0.00 N ATOM 174 CA VAL A 7 4.719 -3.077 -1.528 1.00 0.00 C ATOM 175 C VAL A 7 5.900 -2.201 -1.928 1.00 0.00 C ATOM 176 O VAL A 7 5.936 -1.011 -1.617 1.00 0.00 O ATOM 177 CB VAL A 7 5.065 -3.820 -0.223 1.00 0.00 C ATOM 178 CG1 VAL A 7 3.799 -4.303 0.468 1.00 0.00 C ATOM 179 CG2 VAL A 7 6.004 -4.983 -0.506 1.00 0.00 C ATOM 0 H VAL A 7 4.295 -4.981 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 7 3.845 -2.448 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 7 5.574 -3.126 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.063 -4.825 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.165 -3.448 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.260 -4.982 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.238 -5.497 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.524 -5.679 -1.193 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.924 -4.607 -0.954 1.00 0.00 H new ATOM 189 N GLU A 8 6.865 -2.798 -2.621 1.00 0.00 N ATOM 190 CA GLU A 8 8.049 -2.070 -3.064 1.00 0.00 C ATOM 191 C GLU A 8 7.659 -0.852 -3.897 1.00 0.00 C ATOM 192 O GLU A 8 8.344 0.169 -3.881 1.00 0.00 O ATOM 193 CB GLU A 8 8.963 -2.987 -3.880 1.00 0.00 C ATOM 194 CG GLU A 8 8.444 -3.277 -5.278 1.00 0.00 C ATOM 195 CD GLU A 8 9.542 -3.715 -6.228 1.00 0.00 C ATOM 196 OE1 GLU A 8 9.917 -4.905 -6.194 1.00 0.00 O ATOM 197 OE2 GLU A 8 10.025 -2.866 -7.007 1.00 0.00 O ATOM 0 H GLU A 8 6.850 -3.782 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 8 8.585 -1.727 -2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.949 -2.529 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.089 -3.929 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.683 -4.055 -5.225 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.960 -2.384 -5.674 1.00 0.00 H new ATOM 204 N ASN A 9 6.552 -0.970 -4.624 1.00 0.00 N ATOM 205 CA ASN A 9 6.071 0.121 -5.465 1.00 0.00 C ATOM 206 C ASN A 9 5.735 1.348 -4.623 1.00 0.00 C ATOM 207 O ASN A 9 5.784 2.479 -5.108 1.00 0.00 O ATOM 208 CB ASN A 9 4.838 -0.323 -6.255 1.00 0.00 C ATOM 209 CG ASN A 9 5.162 -1.391 -7.281 1.00 0.00 C ATOM 210 OD1 ASN A 9 4.477 -2.410 -7.371 1.00 0.00 O ATOM 211 ND2 ASN A 9 6.213 -1.163 -8.061 1.00 0.00 N ATOM 0 H ASN A 9 5.972 -1.809 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 9 6.865 0.387 -6.163 1.00 0.00 H new ATOM 0 HB2 ASN A 9 4.085 -0.703 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 9 4.402 0.540 -6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.480 -1.847 -8.769 1.00 0.00 H new ATOM 0 HD22 ASN A 9 6.753 -0.304 -7.952 1.00 0.00 H new ATOM 218 N VAL A 10 5.395 1.118 -3.359 1.00 0.00 N ATOM 219 CA VAL A 10 5.053 2.204 -2.449 1.00 0.00 C ATOM 220 C VAL A 10 6.291 3.000 -2.053 1.00 0.00 C ATOM 221 O VAL A 10 6.216 4.203 -1.801 1.00 0.00 O ATOM 222 CB VAL A 10 4.366 1.675 -1.176 1.00 0.00 C ATOM 223 CG1 VAL A 10 3.995 2.825 -0.252 1.00 0.00 C ATOM 224 CG2 VAL A 10 3.139 0.852 -1.536 1.00 0.00 C ATOM 0 H VAL A 10 5.349 0.188 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 10 4.361 2.856 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 10 5.067 1.028 -0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.511 2.432 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.896 3.368 0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.312 3.500 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.666 0.486 -0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.433 1.473 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.437 0.006 -2.155 1.00 0.00 H new ATOM 234 N LYS A 11 7.432 2.320 -2.000 1.00 0.00 N ATOM 235 CA LYS A 11 8.689 2.962 -1.636 1.00 0.00 C ATOM 236 C LYS A 11 9.044 4.065 -2.628 1.00 0.00 C ATOM 237 O LYS A 11 9.540 5.125 -2.243 1.00 0.00 O ATOM 238 CB LYS A 11 9.816 1.929 -1.580 1.00 0.00 C ATOM 239 CG LYS A 11 9.446 0.665 -0.823 1.00 0.00 C ATOM 240 CD LYS A 11 8.828 0.986 0.528 1.00 0.00 C ATOM 241 CE LYS A 11 7.316 1.117 0.432 1.00 0.00 C ATOM 242 NZ LYS A 11 6.643 0.717 1.699 1.00 0.00 N ATOM 0 H LYS A 11 7.511 1.324 -2.205 1.00 0.00 H new ATOM 0 HA LYS A 11 8.567 3.410 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.104 1.662 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.689 2.381 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.744 0.077 -1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.335 0.051 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.082 0.202 1.241 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.251 1.914 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.055 2.148 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.949 0.497 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.614 0.820 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.871 -0.274 1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.974 1.325 2.475 1.00 0.00 H new ATOM 256 N LEU A 12 8.787 3.810 -3.906 1.00 0.00 N ATOM 257 CA LEU A 12 9.078 4.782 -4.954 1.00 0.00 C ATOM 258 C LEU A 12 8.117 5.964 -4.882 1.00 0.00 C ATOM 259 O LEU A 12 8.499 7.104 -5.146 1.00 0.00 O ATOM 260 CB LEU A 12 8.988 4.119 -6.330 1.00 0.00 C ATOM 261 CG LEU A 12 9.488 4.954 -7.510 1.00 0.00 C ATOM 262 CD1 LEU A 12 8.404 5.910 -7.985 1.00 0.00 C ATOM 263 CD2 LEU A 12 10.746 5.719 -7.128 1.00 0.00 C ATOM 0 H LEU A 12 8.378 2.938 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 12 10.092 5.152 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.557 3.189 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 12 7.948 3.851 -6.515 1.00 0.00 H new ATOM 0 HG LEU A 12 9.733 4.279 -8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.778 6.496 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.530 5.341 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.127 6.579 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 12 11.087 6.307 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.528 6.384 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.526 5.015 -6.838 1.00 0.00 H new ATOM 275 N ALA A 13 6.869 5.684 -4.522 1.00 0.00 N ATOM 276 CA ALA A 13 5.855 6.725 -4.411 1.00 0.00 C ATOM 277 C ALA A 13 6.139 7.645 -3.228 1.00 0.00 C ATOM 278 O ALA A 13 6.111 8.869 -3.361 1.00 0.00 O ATOM 279 CB ALA A 13 4.473 6.103 -4.278 1.00 0.00 C ATOM 0 H ALA A 13 6.536 4.745 -4.302 1.00 0.00 H new ATOM 0 HA ALA A 13 5.886 7.326 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.725 6.892 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.262 5.493 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.440 5.477 -3.386 1.00 0.00 H new ATOM 285 N ARG A 14 6.411 7.048 -2.073 1.00 0.00 N ATOM 286 CA ARG A 14 6.698 7.815 -0.866 1.00 0.00 C ATOM 287 C ARG A 14 7.828 8.810 -1.110 1.00 0.00 C ATOM 288 O ARG A 14 7.761 9.958 -0.672 1.00 0.00 O ATOM 289 CB ARG A 14 7.070 6.876 0.283 1.00 0.00 C ATOM 290 CG ARG A 14 7.456 7.602 1.562 1.00 0.00 C ATOM 291 CD ARG A 14 8.448 6.794 2.384 1.00 0.00 C ATOM 292 NE ARG A 14 8.718 7.413 3.679 1.00 0.00 N ATOM 293 CZ ARG A 14 9.307 6.780 4.687 1.00 0.00 C ATOM 294 NH1 ARG A 14 9.684 5.516 4.551 1.00 0.00 N ATOM 295 NH2 ARG A 14 9.519 7.411 5.835 1.00 0.00 N ATOM 0 H ARG A 14 6.439 6.036 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 14 5.800 8.371 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.227 6.217 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.900 6.243 -0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.890 8.571 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.563 7.796 2.156 1.00 0.00 H new ATOM 0 HD2 ARG A 14 8.057 5.788 2.537 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.381 6.692 1.829 1.00 0.00 H new ATOM 0 HE ARG A 14 8.439 8.384 3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.522 5.027 3.670 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.136 5.032 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.229 8.383 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.971 6.924 6.609 1.00 0.00 H new ATOM 309 N GLU A 15 8.864 8.361 -1.812 1.00 0.00 N ATOM 310 CA GLU A 15 10.009 9.213 -2.113 1.00 0.00 C ATOM 311 C GLU A 15 9.572 10.463 -2.871 1.00 0.00 C ATOM 312 O GLU A 15 10.119 11.548 -2.669 1.00 0.00 O ATOM 313 CB GLU A 15 11.045 8.442 -2.932 1.00 0.00 C ATOM 314 CG GLU A 15 12.397 9.131 -3.007 1.00 0.00 C ATOM 315 CD GLU A 15 13.537 8.156 -3.230 1.00 0.00 C ATOM 316 OE1 GLU A 15 13.764 7.297 -2.353 1.00 0.00 O ATOM 317 OE2 GLU A 15 14.203 8.253 -4.283 1.00 0.00 O ATOM 0 H GLU A 15 8.934 7.413 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 15 10.459 9.520 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 15 11.175 7.451 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.663 8.299 -3.943 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.384 9.861 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.571 9.683 -2.083 1.00 0.00 H new ATOM 324 N TYR A 16 8.585 10.303 -3.745 1.00 0.00 N ATOM 325 CA TYR A 16 8.076 11.417 -4.537 1.00 0.00 C ATOM 326 C TYR A 16 7.349 12.426 -3.653 1.00 0.00 C ATOM 327 O TYR A 16 7.534 13.635 -3.791 1.00 0.00 O ATOM 328 CB TYR A 16 7.134 10.906 -5.628 1.00 0.00 C ATOM 329 CG TYR A 16 7.851 10.258 -6.792 1.00 0.00 C ATOM 330 CD1 TYR A 16 8.899 9.371 -6.581 1.00 0.00 C ATOM 331 CD2 TYR A 16 7.478 10.533 -8.102 1.00 0.00 C ATOM 332 CE1 TYR A 16 9.556 8.778 -7.641 1.00 0.00 C ATOM 333 CE2 TYR A 16 8.129 9.944 -9.168 1.00 0.00 C ATOM 334 CZ TYR A 16 9.168 9.067 -8.933 1.00 0.00 C ATOM 335 OH TYR A 16 9.820 8.477 -9.992 1.00 0.00 O ATOM 0 H TYR A 16 8.121 9.412 -3.923 1.00 0.00 H new ATOM 0 HA TYR A 16 8.925 11.916 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.443 10.185 -5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.535 11.738 -5.998 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.205 9.141 -5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.665 11.219 -8.290 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.370 8.091 -7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.827 10.169 -10.180 1.00 0.00 H new ATOM 0 HH TYR A 16 9.424 8.786 -10.833 1.00 0.00 H new ATOM 345 N ALA A 17 6.522 11.919 -2.745 1.00 0.00 N ATOM 346 CA ALA A 17 5.768 12.774 -1.836 1.00 0.00 C ATOM 347 C ALA A 17 6.698 13.680 -1.037 1.00 0.00 C ATOM 348 O ALA A 17 6.376 14.838 -0.770 1.00 0.00 O ATOM 349 CB ALA A 17 4.917 11.929 -0.900 1.00 0.00 C ATOM 0 H ALA A 17 6.357 10.920 -2.619 1.00 0.00 H new ATOM 0 HA ALA A 17 5.111 13.407 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.360 12.581 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.219 11.329 -1.484 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.561 11.271 -0.317 1.00 0.00 H new ATOM 355 N LEU A 18 7.853 13.145 -0.656 1.00 0.00 N ATOM 356 CA LEU A 18 8.831 13.906 0.115 1.00 0.00 C ATOM 357 C LEU A 18 9.533 14.937 -0.763 1.00 0.00 C ATOM 358 O LEU A 18 9.564 16.125 -0.441 1.00 0.00 O ATOM 359 CB LEU A 18 9.862 12.964 0.739 1.00 0.00 C ATOM 360 CG LEU A 18 9.300 11.756 1.489 1.00 0.00 C ATOM 361 CD1 LEU A 18 10.330 11.205 2.463 1.00 0.00 C ATOM 362 CD2 LEU A 18 8.019 12.130 2.220 1.00 0.00 C ATOM 0 H LEU A 18 8.135 12.188 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 18 8.301 14.432 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.519 12.602 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.480 13.539 1.429 1.00 0.00 H new ATOM 0 HG LEU A 18 9.066 10.979 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.912 10.346 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.221 10.897 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.597 11.976 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.634 11.258 2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.228 12.925 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.277 12.476 1.500 1.00 0.00 H new ATOM 374 N LEU A 19 10.095 14.475 -1.875 1.00 0.00 N ATOM 375 CA LEU A 19 10.796 15.358 -2.801 1.00 0.00 C ATOM 376 C LEU A 19 9.944 16.575 -3.143 1.00 0.00 C ATOM 377 O LEU A 19 10.465 17.665 -3.375 1.00 0.00 O ATOM 378 CB LEU A 19 11.161 14.601 -4.080 1.00 0.00 C ATOM 379 CG LEU A 19 12.521 13.902 -4.081 1.00 0.00 C ATOM 380 CD1 LEU A 19 12.606 12.898 -2.942 1.00 0.00 C ATOM 381 CD2 LEU A 19 12.767 13.217 -5.418 1.00 0.00 C ATOM 0 H LEU A 19 10.079 13.495 -2.157 1.00 0.00 H new ATOM 0 HA LEU A 19 11.709 15.702 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.390 13.853 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.135 15.303 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 19 13.295 14.655 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.581 12.410 -2.959 1.00 0.00 H new ATOM 0 HD12 LEU A 19 12.475 13.415 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.823 12.148 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.739 12.725 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.988 12.476 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.750 13.960 -6.216 1.00 0.00 H new ATOM 393 N GLY A 20 8.628 16.382 -3.172 1.00 0.00 N ATOM 394 CA GLY A 20 7.725 17.473 -3.484 1.00 0.00 C ATOM 395 C GLY A 20 6.620 17.058 -4.435 1.00 0.00 C ATOM 396 O GLY A 20 5.632 17.771 -4.599 1.00 0.00 O ATOM 0 H GLY A 20 8.172 15.489 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.283 17.850 -2.562 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.291 18.294 -3.925 1.00 0.00 H new ATOM 400 N ASN A 21 6.789 15.900 -5.065 1.00 0.00 N ATOM 401 CA ASN A 21 5.798 15.391 -6.007 1.00 0.00 C ATOM 402 C ASN A 21 4.867 14.391 -5.330 1.00 0.00 C ATOM 403 O ASN A 21 5.235 13.238 -5.102 1.00 0.00 O ATOM 404 CB ASN A 21 6.492 14.731 -7.201 1.00 0.00 C ATOM 405 CG ASN A 21 5.675 14.837 -8.475 1.00 0.00 C ATOM 406 OD1 ASN A 21 6.214 14.764 -9.579 1.00 0.00 O ATOM 407 ND2 ASN A 21 4.367 15.010 -8.326 1.00 0.00 N ATOM 0 H ASN A 21 7.602 15.297 -4.941 1.00 0.00 H new ATOM 0 HA ASN A 21 5.202 16.233 -6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.465 15.198 -7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.675 13.680 -6.976 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.766 15.088 -9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.963 15.065 -7.391 1.00 0.00 H new ATOM 414 N TYR A 22 3.658 14.839 -5.011 1.00 0.00 N ATOM 415 CA TYR A 22 2.673 13.985 -4.358 1.00 0.00 C ATOM 416 C TYR A 22 1.689 13.413 -5.374 1.00 0.00 C ATOM 417 O TYR A 22 1.254 12.267 -5.257 1.00 0.00 O ATOM 418 CB TYR A 22 1.917 14.770 -3.284 1.00 0.00 C ATOM 419 CG TYR A 22 2.779 15.769 -2.546 1.00 0.00 C ATOM 420 CD1 TYR A 22 3.138 16.975 -3.136 1.00 0.00 C ATOM 421 CD2 TYR A 22 3.234 15.508 -1.260 1.00 0.00 C ATOM 422 CE1 TYR A 22 3.926 17.891 -2.465 1.00 0.00 C ATOM 423 CE2 TYR A 22 4.021 16.418 -0.582 1.00 0.00 C ATOM 424 CZ TYR A 22 4.364 17.609 -1.189 1.00 0.00 C ATOM 425 OH TYR A 22 5.148 18.518 -0.517 1.00 0.00 O ATOM 0 H TYR A 22 3.336 15.789 -5.194 1.00 0.00 H new ATOM 0 HA TYR A 22 3.203 13.157 -3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.083 15.296 -3.749 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.491 14.069 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.796 17.200 -4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.968 14.577 -0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.197 18.823 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.366 16.199 0.418 1.00 0.00 H new ATOM 0 HH TYR A 22 5.370 18.166 0.370 1.00 0.00 H new ATOM 435 N ASP A 23 1.341 14.221 -6.370 1.00 0.00 N ATOM 436 CA ASP A 23 0.410 13.796 -7.408 1.00 0.00 C ATOM 437 C ASP A 23 0.917 12.543 -8.115 1.00 0.00 C ATOM 438 O ASP A 23 0.133 11.680 -8.508 1.00 0.00 O ATOM 439 CB ASP A 23 0.199 14.920 -8.424 1.00 0.00 C ATOM 440 CG ASP A 23 -1.040 14.710 -9.271 1.00 0.00 C ATOM 441 OD1 ASP A 23 -2.115 14.441 -8.695 1.00 0.00 O ATOM 442 OD2 ASP A 23 -0.936 14.816 -10.511 1.00 0.00 O ATOM 0 H ASP A 23 1.690 15.173 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.543 13.562 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.119 15.871 -7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.072 14.988 -9.073 1.00 0.00 H new ATOM 447 N SER A 24 2.234 12.452 -8.274 1.00 0.00 N ATOM 448 CA SER A 24 2.846 11.307 -8.938 1.00 0.00 C ATOM 449 C SER A 24 2.789 10.069 -8.048 1.00 0.00 C ATOM 450 O SER A 24 2.750 8.940 -8.538 1.00 0.00 O ATOM 451 CB SER A 24 4.298 11.619 -9.304 1.00 0.00 C ATOM 452 OG SER A 24 4.368 12.426 -10.467 1.00 0.00 O ATOM 0 H SER A 24 2.897 13.157 -7.952 1.00 0.00 H new ATOM 0 HA SER A 24 2.284 11.104 -9.850 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.784 12.130 -8.473 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.843 10.689 -9.469 1.00 0.00 H new ATOM 0 HG SER A 24 5.055 13.114 -10.347 1.00 0.00 H new ATOM 458 N ALA A 25 2.784 10.289 -6.737 1.00 0.00 N ATOM 459 CA ALA A 25 2.730 9.193 -5.778 1.00 0.00 C ATOM 460 C ALA A 25 1.338 8.572 -5.733 1.00 0.00 C ATOM 461 O ALA A 25 1.193 7.365 -5.541 1.00 0.00 O ATOM 462 CB ALA A 25 3.138 9.681 -4.396 1.00 0.00 C ATOM 0 H ALA A 25 2.817 11.217 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 25 3.432 8.424 -6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.093 8.852 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.155 10.071 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.458 10.470 -4.073 1.00 0.00 H new ATOM 468 N MET A 26 0.318 9.404 -5.910 1.00 0.00 N ATOM 469 CA MET A 26 -1.063 8.935 -5.890 1.00 0.00 C ATOM 470 C MET A 26 -1.259 7.780 -6.867 1.00 0.00 C ATOM 471 O MET A 26 -1.756 6.717 -6.495 1.00 0.00 O ATOM 472 CB MET A 26 -2.018 10.079 -6.236 1.00 0.00 C ATOM 473 CG MET A 26 -1.977 11.227 -5.241 1.00 0.00 C ATOM 474 SD MET A 26 -2.046 10.665 -3.529 1.00 0.00 S ATOM 475 CE MET A 26 -0.307 10.399 -3.190 1.00 0.00 C ATOM 0 H MET A 26 0.421 10.406 -6.069 1.00 0.00 H new ATOM 0 HA MET A 26 -1.285 8.578 -4.884 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.772 10.459 -7.227 1.00 0.00 H new ATOM 0 HB3 MET A 26 -3.035 9.690 -6.287 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.064 11.803 -5.394 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.814 11.899 -5.433 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.153 10.328 -2.113 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.019 9.474 -3.665 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.272 11.234 -3.585 1.00 0.00 H new ATOM 485 N VAL A 27 -0.866 7.995 -8.118 1.00 0.00 N ATOM 486 CA VAL A 27 -0.998 6.972 -9.148 1.00 0.00 C ATOM 487 C VAL A 27 -0.374 5.656 -8.698 1.00 0.00 C ATOM 488 O VAL A 27 -0.922 4.581 -8.942 1.00 0.00 O ATOM 489 CB VAL A 27 -0.339 7.415 -10.468 1.00 0.00 C ATOM 490 CG1 VAL A 27 -0.523 8.910 -10.680 1.00 0.00 C ATOM 491 CG2 VAL A 27 1.136 7.044 -10.478 1.00 0.00 C ATOM 0 H VAL A 27 -0.453 8.869 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.065 6.827 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.826 6.892 -11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.051 9.205 -11.617 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.587 9.144 -10.720 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.063 9.454 -9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.585 7.364 -11.418 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.641 7.537 -9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.240 5.964 -10.376 1.00 0.00 H new ATOM 501 N TYR A 28 0.776 5.748 -8.040 1.00 0.00 N ATOM 502 CA TYR A 28 1.478 4.564 -7.557 1.00 0.00 C ATOM 503 C TYR A 28 0.717 3.912 -6.406 1.00 0.00 C ATOM 504 O TYR A 28 0.440 2.713 -6.430 1.00 0.00 O ATOM 505 CB TYR A 28 2.892 4.932 -7.105 1.00 0.00 C ATOM 506 CG TYR A 28 3.924 4.834 -8.206 1.00 0.00 C ATOM 507 CD1 TYR A 28 4.090 5.865 -9.123 1.00 0.00 C ATOM 508 CD2 TYR A 28 4.733 3.711 -8.329 1.00 0.00 C ATOM 509 CE1 TYR A 28 5.031 5.779 -10.131 1.00 0.00 C ATOM 510 CE2 TYR A 28 5.678 3.618 -9.333 1.00 0.00 C ATOM 511 CZ TYR A 28 5.823 4.654 -10.231 1.00 0.00 C ATOM 512 OH TYR A 28 6.762 4.566 -11.233 1.00 0.00 O ATOM 0 H TYR A 28 1.242 6.630 -7.829 1.00 0.00 H new ATOM 0 HA TYR A 28 1.541 3.850 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.886 5.949 -6.713 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.184 4.276 -6.285 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.473 6.748 -9.046 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.621 2.897 -7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.146 6.588 -10.837 1.00 0.00 H new ATOM 0 HE2 TYR A 28 6.300 2.739 -9.414 1.00 0.00 H new ATOM 0 HH TYR A 28 7.236 3.711 -11.163 1.00 0.00 H new ATOM 522 N TYR A 29 0.383 4.712 -5.399 1.00 0.00 N ATOM 523 CA TYR A 29 -0.344 4.214 -4.237 1.00 0.00 C ATOM 524 C TYR A 29 -1.636 3.522 -4.658 1.00 0.00 C ATOM 525 O TYR A 29 -1.932 2.413 -4.214 1.00 0.00 O ATOM 526 CB TYR A 29 -0.656 5.361 -3.275 1.00 0.00 C ATOM 527 CG TYR A 29 0.423 5.598 -2.243 1.00 0.00 C ATOM 528 CD1 TYR A 29 0.687 4.655 -1.257 1.00 0.00 C ATOM 529 CD2 TYR A 29 1.179 6.763 -2.254 1.00 0.00 C ATOM 530 CE1 TYR A 29 1.671 4.867 -0.311 1.00 0.00 C ATOM 531 CE2 TYR A 29 2.167 6.983 -1.314 1.00 0.00 C ATOM 532 CZ TYR A 29 2.409 6.032 -0.344 1.00 0.00 C ATOM 533 OH TYR A 29 3.391 6.248 0.595 1.00 0.00 O ATOM 0 H TYR A 29 0.604 5.707 -5.364 1.00 0.00 H new ATOM 0 HA TYR A 29 0.288 3.485 -3.730 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.804 6.275 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.595 5.150 -2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.113 3.741 -1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.991 7.510 -3.011 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.861 4.125 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.747 7.894 -1.338 1.00 0.00 H new ATOM 0 HH TYR A 29 3.816 7.115 0.430 1.00 0.00 H new ATOM 543 N GLN A 30 -2.402 4.185 -5.519 1.00 0.00 N ATOM 544 CA GLN A 30 -3.663 3.635 -6.001 1.00 0.00 C ATOM 545 C GLN A 30 -3.445 2.285 -6.677 1.00 0.00 C ATOM 546 O GLN A 30 -4.283 1.390 -6.582 1.00 0.00 O ATOM 547 CB GLN A 30 -4.328 4.606 -6.977 1.00 0.00 C ATOM 548 CG GLN A 30 -5.746 4.211 -7.358 1.00 0.00 C ATOM 549 CD GLN A 30 -6.643 4.022 -6.151 1.00 0.00 C ATOM 550 OE1 GLN A 30 -7.294 4.961 -5.694 1.00 0.00 O ATOM 551 NE2 GLN A 30 -6.682 2.802 -5.628 1.00 0.00 N ATOM 0 H GLN A 30 -2.171 5.104 -5.897 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.318 3.489 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.344 5.601 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.723 4.671 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.171 4.978 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.719 3.286 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.126 2.053 -6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.268 2.614 -4.815 1.00 0.00 H new ATOM 560 N GLY A 31 -2.313 2.147 -7.361 1.00 0.00 N ATOM 561 CA GLY A 31 -2.005 0.904 -8.043 1.00 0.00 C ATOM 562 C GLY A 31 -1.613 -0.202 -7.084 1.00 0.00 C ATOM 563 O GLY A 31 -2.113 -1.323 -7.180 1.00 0.00 O ATOM 0 H GLY A 31 -1.604 2.874 -7.455 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.872 0.587 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.193 1.073 -8.750 1.00 0.00 H new ATOM 567 N VAL A 32 -0.713 0.112 -6.158 1.00 0.00 N ATOM 568 CA VAL A 32 -0.252 -0.864 -5.178 1.00 0.00 C ATOM 569 C VAL A 32 -1.419 -1.433 -4.378 1.00 0.00 C ATOM 570 O VAL A 32 -1.536 -2.647 -4.206 1.00 0.00 O ATOM 571 CB VAL A 32 0.769 -0.245 -4.205 1.00 0.00 C ATOM 572 CG1 VAL A 32 1.251 -1.283 -3.204 1.00 0.00 C ATOM 573 CG2 VAL A 32 1.939 0.353 -4.971 1.00 0.00 C ATOM 0 H VAL A 32 -0.288 1.035 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 32 0.230 -1.668 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 32 0.278 0.556 -3.652 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.972 -0.827 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.402 -1.659 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.725 -2.108 -3.735 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.651 0.786 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.431 -0.428 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.575 1.130 -5.643 1.00 0.00 H new ATOM 583 N LEU A 33 -2.282 -0.548 -3.891 1.00 0.00 N ATOM 584 CA LEU A 33 -3.443 -0.961 -3.109 1.00 0.00 C ATOM 585 C LEU A 33 -4.371 -1.843 -3.937 1.00 0.00 C ATOM 586 O LEU A 33 -4.860 -2.867 -3.460 1.00 0.00 O ATOM 587 CB LEU A 33 -4.203 0.266 -2.602 1.00 0.00 C ATOM 588 CG LEU A 33 -3.597 0.979 -1.393 1.00 0.00 C ATOM 589 CD1 LEU A 33 -2.081 0.858 -1.407 1.00 0.00 C ATOM 590 CD2 LEU A 33 -4.017 2.442 -1.371 1.00 0.00 C ATOM 0 H LEU A 33 -2.200 0.460 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.089 -1.539 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.282 0.983 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.218 -0.040 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.971 0.501 -0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.667 1.371 -0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.800 -0.195 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.688 1.310 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.577 2.934 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.672 2.933 -2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.103 2.508 -1.313 1.00 0.00 H new ATOM 602 N ASP A 34 -4.608 -1.440 -5.181 1.00 0.00 N ATOM 603 CA ASP A 34 -5.476 -2.195 -6.077 1.00 0.00 C ATOM 604 C ASP A 34 -4.909 -3.588 -6.336 1.00 0.00 C ATOM 605 O ASP A 34 -5.607 -4.590 -6.186 1.00 0.00 O ATOM 606 CB ASP A 34 -5.652 -1.449 -7.400 1.00 0.00 C ATOM 607 CG ASP A 34 -6.833 -0.498 -7.376 1.00 0.00 C ATOM 608 OD1 ASP A 34 -7.962 -0.961 -7.109 1.00 0.00 O ATOM 609 OD2 ASP A 34 -6.628 0.709 -7.622 1.00 0.00 O ATOM 0 H ASP A 34 -4.211 -0.595 -5.591 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.449 -2.301 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.743 -0.890 -7.622 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.787 -2.171 -8.206 1.00 0.00 H new ATOM 614 N GLN A 35 -3.639 -3.641 -6.726 1.00 0.00 N ATOM 615 CA GLN A 35 -2.980 -4.911 -7.008 1.00 0.00 C ATOM 616 C GLN A 35 -2.876 -5.762 -5.747 1.00 0.00 C ATOM 617 O GLN A 35 -3.071 -6.976 -5.788 1.00 0.00 O ATOM 618 CB GLN A 35 -1.586 -4.668 -7.590 1.00 0.00 C ATOM 619 CG GLN A 35 -1.602 -3.933 -8.921 1.00 0.00 C ATOM 620 CD GLN A 35 -0.433 -4.308 -9.809 1.00 0.00 C ATOM 621 OE1 GLN A 35 0.516 -3.539 -9.963 1.00 0.00 O ATOM 622 NE2 GLN A 35 -0.494 -5.496 -10.399 1.00 0.00 N ATOM 0 H GLN A 35 -3.047 -2.820 -6.854 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.583 -5.450 -7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.998 -4.094 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.083 -5.626 -7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.534 -4.153 -9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.585 -2.859 -8.739 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.300 -6.102 -10.243 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.265 -5.803 -11.008 1.00 0.00 H new ATOM 631 N MET A 36 -2.567 -5.116 -4.627 1.00 0.00 N ATOM 632 CA MET A 36 -2.438 -5.814 -3.353 1.00 0.00 C ATOM 633 C MET A 36 -3.674 -6.663 -3.070 1.00 0.00 C ATOM 634 O MET A 36 -3.567 -7.848 -2.760 1.00 0.00 O ATOM 635 CB MET A 36 -2.223 -4.812 -2.217 1.00 0.00 C ATOM 636 CG MET A 36 -0.759 -4.499 -1.952 1.00 0.00 C ATOM 637 SD MET A 36 -0.495 -3.717 -0.349 1.00 0.00 S ATOM 638 CE MET A 36 -0.739 -5.109 0.751 1.00 0.00 C ATOM 0 H MET A 36 -2.401 -4.111 -4.576 1.00 0.00 H new ATOM 0 HA MET A 36 -1.572 -6.473 -3.415 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.747 -3.886 -2.456 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.673 -5.206 -1.306 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.180 -5.421 -2.002 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.384 -3.844 -2.738 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.750 -5.079 1.157 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.598 -6.038 0.199 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.018 -5.059 1.567 1.00 0.00 H new ATOM 648 N ASN A 37 -4.847 -6.047 -3.180 1.00 0.00 N ATOM 649 CA ASN A 37 -6.103 -6.746 -2.935 1.00 0.00 C ATOM 650 C ASN A 37 -6.203 -8.002 -3.795 1.00 0.00 C ATOM 651 O ASN A 37 -6.497 -9.089 -3.296 1.00 0.00 O ATOM 652 CB ASN A 37 -7.289 -5.823 -3.221 1.00 0.00 C ATOM 653 CG ASN A 37 -7.742 -5.064 -1.989 1.00 0.00 C ATOM 654 OD1 ASN A 37 -8.111 -5.663 -0.978 1.00 0.00 O ATOM 655 ND2 ASN A 37 -7.715 -3.739 -2.067 1.00 0.00 N ATOM 0 H ASN A 37 -4.954 -5.066 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.126 -7.042 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.013 -5.113 -4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.120 -6.413 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.007 -3.175 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.402 -3.285 -2.925 1.00 0.00 H new ATOM 662 N LYS A 38 -5.956 -7.846 -5.091 1.00 0.00 N ATOM 663 CA LYS A 38 -6.015 -8.967 -6.022 1.00 0.00 C ATOM 664 C LYS A 38 -5.163 -10.131 -5.528 1.00 0.00 C ATOM 665 O LYS A 38 -5.489 -11.295 -5.762 1.00 0.00 O ATOM 666 CB LYS A 38 -5.543 -8.529 -7.410 1.00 0.00 C ATOM 667 CG LYS A 38 -6.325 -7.356 -7.976 1.00 0.00 C ATOM 668 CD LYS A 38 -6.353 -7.385 -9.495 1.00 0.00 C ATOM 669 CE LYS A 38 -6.822 -6.057 -10.070 1.00 0.00 C ATOM 670 NZ LYS A 38 -7.398 -6.215 -11.434 1.00 0.00 N ATOM 0 H LYS A 38 -5.713 -6.954 -5.521 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.051 -9.300 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.488 -8.260 -7.358 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.623 -9.373 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.345 -7.378 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.877 -6.422 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.357 -7.615 -9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.015 -8.183 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.570 -5.619 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.984 -5.362 -10.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.706 -5.288 -11.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.677 -6.609 -12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.214 -6.858 -11.394 1.00 0.00 H new ATOM 684 N TYR A 39 -4.071 -9.809 -4.843 1.00 0.00 N ATOM 685 CA TYR A 39 -3.171 -10.829 -4.316 1.00 0.00 C ATOM 686 C TYR A 39 -3.801 -11.550 -3.128 1.00 0.00 C ATOM 687 O TYR A 39 -3.883 -12.779 -3.105 1.00 0.00 O ATOM 688 CB TYR A 39 -1.842 -10.199 -3.898 1.00 0.00 C ATOM 689 CG TYR A 39 -0.841 -11.197 -3.361 1.00 0.00 C ATOM 690 CD1 TYR A 39 -1.010 -11.776 -2.110 1.00 0.00 C ATOM 691 CD2 TYR A 39 0.274 -11.561 -4.106 1.00 0.00 C ATOM 692 CE1 TYR A 39 -0.098 -12.688 -1.615 1.00 0.00 C ATOM 693 CE2 TYR A 39 1.191 -12.473 -3.620 1.00 0.00 C ATOM 694 CZ TYR A 39 1.001 -13.033 -2.374 1.00 0.00 C ATOM 695 OH TYR A 39 1.911 -13.942 -1.886 1.00 0.00 O ATOM 0 H TYR A 39 -3.788 -8.850 -4.640 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.988 -11.558 -5.105 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.407 -9.686 -4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.032 -9.442 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.870 -11.509 -1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.426 -11.124 -5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.245 -13.128 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.052 -12.746 -4.212 1.00 0.00 H new ATOM 0 HH TYR A 39 2.625 -14.076 -2.544 1.00 0.00 H new ATOM 705 N LEU A 40 -4.245 -10.778 -2.143 1.00 0.00 N ATOM 706 CA LEU A 40 -4.869 -11.341 -0.951 1.00 0.00 C ATOM 707 C LEU A 40 -6.068 -12.207 -1.321 1.00 0.00 C ATOM 708 O LEU A 40 -6.287 -13.267 -0.733 1.00 0.00 O ATOM 709 CB LEU A 40 -5.306 -10.223 -0.003 1.00 0.00 C ATOM 710 CG LEU A 40 -4.450 -8.956 -0.020 1.00 0.00 C ATOM 711 CD1 LEU A 40 -4.812 -8.051 1.148 1.00 0.00 C ATOM 712 CD2 LEU A 40 -2.971 -9.311 0.017 1.00 0.00 C ATOM 0 H LEU A 40 -4.185 -9.760 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.133 -11.968 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.332 -9.948 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.315 -10.618 1.013 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.651 -8.418 -0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.193 -7.155 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.862 -7.769 1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.641 -8.580 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.377 -8.397 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.754 -9.872 0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.721 -9.918 -0.853 1.00 0.00 H new ATOM 724 N TYR A 41 -6.841 -11.750 -2.300 1.00 0.00 N ATOM 725 CA TYR A 41 -8.019 -12.483 -2.750 1.00 0.00 C ATOM 726 C TYR A 41 -7.627 -13.831 -3.347 1.00 0.00 C ATOM 727 O TYR A 41 -8.443 -14.750 -3.423 1.00 0.00 O ATOM 728 CB TYR A 41 -8.794 -11.661 -3.781 1.00 0.00 C ATOM 729 CG TYR A 41 -10.286 -11.902 -3.751 1.00 0.00 C ATOM 730 CD1 TYR A 41 -10.837 -13.044 -4.318 1.00 0.00 C ATOM 731 CD2 TYR A 41 -11.144 -10.988 -3.153 1.00 0.00 C ATOM 732 CE1 TYR A 41 -12.200 -13.268 -4.293 1.00 0.00 C ATOM 733 CE2 TYR A 41 -12.509 -11.204 -3.121 1.00 0.00 C ATOM 734 CZ TYR A 41 -13.032 -12.345 -3.693 1.00 0.00 C ATOM 735 OH TYR A 41 -14.390 -12.565 -3.664 1.00 0.00 O ATOM 0 H TYR A 41 -6.673 -10.875 -2.797 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.657 -12.662 -1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.602 -10.602 -3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.417 -11.894 -4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.189 -13.770 -4.787 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.738 -10.093 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.612 -14.160 -4.740 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.162 -10.484 -2.651 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.832 -11.821 -3.204 1.00 0.00 H new ATOM 745 N SER A 42 -6.371 -13.941 -3.769 1.00 0.00 N ATOM 746 CA SER A 42 -5.870 -15.175 -4.362 1.00 0.00 C ATOM 747 C SER A 42 -5.273 -16.088 -3.295 1.00 0.00 C ATOM 748 O SER A 42 -4.875 -17.217 -3.580 1.00 0.00 O ATOM 749 CB SER A 42 -4.819 -14.863 -5.429 1.00 0.00 C ATOM 750 OG SER A 42 -5.413 -14.284 -6.577 1.00 0.00 O ATOM 0 H SER A 42 -5.682 -13.191 -3.711 1.00 0.00 H new ATOM 0 HA SER A 42 -6.709 -15.691 -4.829 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.072 -14.183 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.297 -15.778 -5.708 1.00 0.00 H new ATOM 0 HG SER A 42 -5.485 -13.314 -6.454 1.00 0.00 H new ATOM 756 N VAL A 43 -5.215 -15.589 -2.064 1.00 0.00 N ATOM 757 CA VAL A 43 -4.668 -16.359 -0.953 1.00 0.00 C ATOM 758 C VAL A 43 -5.632 -17.455 -0.516 1.00 0.00 C ATOM 759 O VAL A 43 -6.850 -17.293 -0.593 1.00 0.00 O ATOM 760 CB VAL A 43 -4.354 -15.455 0.254 1.00 0.00 C ATOM 761 CG1 VAL A 43 -3.663 -16.251 1.351 1.00 0.00 C ATOM 762 CG2 VAL A 43 -3.501 -14.271 -0.174 1.00 0.00 C ATOM 0 H VAL A 43 -5.540 -14.656 -1.811 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.743 -16.814 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.293 -15.071 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.449 -15.596 2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.314 -17.062 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.731 -16.665 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.289 -13.643 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.564 -14.632 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.037 -13.688 -0.922 1.00 0.00 H new ATOM 772 N LYS A 44 -5.080 -18.573 -0.057 1.00 0.00 N ATOM 773 CA LYS A 44 -5.890 -19.698 0.394 1.00 0.00 C ATOM 774 C LYS A 44 -5.818 -19.846 1.911 1.00 0.00 C ATOM 775 O LYS A 44 -6.736 -20.376 2.536 1.00 0.00 O ATOM 776 CB LYS A 44 -5.425 -20.991 -0.278 1.00 0.00 C ATOM 777 CG LYS A 44 -5.544 -20.967 -1.792 1.00 0.00 C ATOM 778 CD LYS A 44 -6.957 -21.292 -2.245 1.00 0.00 C ATOM 779 CE LYS A 44 -7.259 -20.688 -3.608 1.00 0.00 C ATOM 780 NZ LYS A 44 -6.428 -21.299 -4.682 1.00 0.00 N ATOM 0 H LYS A 44 -4.074 -18.724 0.012 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.925 -19.503 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.386 -21.178 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.011 -21.824 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.259 -19.983 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.848 -21.686 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.086 -22.373 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.671 -20.915 -1.513 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.314 -20.828 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.079 -19.613 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.664 -20.860 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.421 -21.143 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.618 -22.320 -4.729 1.00 0.00 H new ATOM 794 N ASP A 45 -4.722 -19.374 2.495 1.00 0.00 N ATOM 795 CA ASP A 45 -4.532 -19.452 3.939 1.00 0.00 C ATOM 796 C ASP A 45 -4.944 -18.147 4.613 1.00 0.00 C ATOM 797 O ASP A 45 -4.272 -17.125 4.473 1.00 0.00 O ATOM 798 CB ASP A 45 -3.072 -19.771 4.265 1.00 0.00 C ATOM 799 CG ASP A 45 -2.922 -20.518 5.576 1.00 0.00 C ATOM 800 OD1 ASP A 45 -3.394 -21.671 5.660 1.00 0.00 O ATOM 801 OD2 ASP A 45 -2.331 -19.949 6.518 1.00 0.00 O ATOM 0 H ASP A 45 -3.952 -18.934 1.991 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.165 -20.252 4.322 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.645 -20.368 3.459 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.502 -18.843 4.311 1.00 0.00 H new ATOM 806 N THR A 46 -6.053 -18.189 5.343 1.00 0.00 N ATOM 807 CA THR A 46 -6.556 -17.010 6.037 1.00 0.00 C ATOM 808 C THR A 46 -5.447 -16.318 6.820 1.00 0.00 C ATOM 809 O THR A 46 -5.430 -15.092 6.941 1.00 0.00 O ATOM 810 CB THR A 46 -7.702 -17.371 7.002 1.00 0.00 C ATOM 811 OG1 THR A 46 -7.211 -18.214 8.050 1.00 0.00 O ATOM 812 CG2 THR A 46 -8.829 -18.076 6.263 1.00 0.00 C ATOM 0 H THR A 46 -6.621 -19.027 5.469 1.00 0.00 H new ATOM 0 HA THR A 46 -6.935 -16.332 5.272 1.00 0.00 H new ATOM 0 HB THR A 46 -8.092 -16.448 7.431 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.944 -18.438 8.660 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.627 -18.321 6.964 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.219 -17.421 5.484 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.450 -18.992 5.810 1.00 0.00 H new ATOM 820 N HIS A 47 -4.520 -17.110 7.351 1.00 0.00 N ATOM 821 CA HIS A 47 -3.405 -16.572 8.122 1.00 0.00 C ATOM 822 C HIS A 47 -2.448 -15.795 7.224 1.00 0.00 C ATOM 823 O HIS A 47 -1.824 -14.824 7.655 1.00 0.00 O ATOM 824 CB HIS A 47 -2.656 -17.701 8.831 1.00 0.00 C ATOM 825 CG HIS A 47 -3.557 -18.660 9.547 1.00 0.00 C ATOM 826 ND1 HIS A 47 -4.157 -19.735 8.928 1.00 0.00 N ATOM 827 CD2 HIS A 47 -3.956 -18.701 10.840 1.00 0.00 C ATOM 828 CE1 HIS A 47 -4.888 -20.396 9.808 1.00 0.00 C ATOM 829 NE2 HIS A 47 -4.783 -19.789 10.976 1.00 0.00 N ATOM 0 H HIS A 47 -4.519 -18.126 7.261 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.808 -15.889 8.869 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -2.064 -18.249 8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -1.957 -17.269 9.547 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.053 -19.982 7.944 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.676 -18.007 11.619 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.472 -21.282 9.606 1.00 0.00 H new ATOM 838 N LEU A 48 -2.334 -16.229 5.973 1.00 0.00 N ATOM 839 CA LEU A 48 -1.452 -15.575 5.013 1.00 0.00 C ATOM 840 C LEU A 48 -1.998 -14.208 4.615 1.00 0.00 C ATOM 841 O LEU A 48 -1.286 -13.206 4.664 1.00 0.00 O ATOM 842 CB LEU A 48 -1.279 -16.451 3.771 1.00 0.00 C ATOM 843 CG LEU A 48 -0.446 -15.851 2.638 1.00 0.00 C ATOM 844 CD1 LEU A 48 0.755 -15.103 3.196 1.00 0.00 C ATOM 845 CD2 LEU A 48 0.003 -16.938 1.672 1.00 0.00 C ATOM 0 H LEU A 48 -2.842 -17.031 5.600 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.481 -15.433 5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.819 -17.391 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.268 -16.692 3.380 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.069 -15.142 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.336 -14.683 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.412 -14.298 3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.379 -15.791 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.595 -16.492 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.608 -17.671 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.871 -17.430 1.246 1.00 0.00 H new ATOM 857 N ARG A 49 -3.267 -14.176 4.221 1.00 0.00 N ATOM 858 CA ARG A 49 -3.910 -12.932 3.815 1.00 0.00 C ATOM 859 C ARG A 49 -4.208 -12.053 5.026 1.00 0.00 C ATOM 860 O ARG A 49 -4.223 -10.827 4.926 1.00 0.00 O ATOM 861 CB ARG A 49 -5.204 -13.226 3.054 1.00 0.00 C ATOM 862 CG ARG A 49 -6.057 -14.306 3.699 1.00 0.00 C ATOM 863 CD ARG A 49 -7.469 -14.312 3.134 1.00 0.00 C ATOM 864 NE ARG A 49 -8.445 -14.804 4.103 1.00 0.00 N ATOM 865 CZ ARG A 49 -9.689 -15.144 3.785 1.00 0.00 C ATOM 866 NH1 ARG A 49 -10.106 -15.048 2.531 1.00 0.00 N ATOM 867 NH2 ARG A 49 -10.518 -15.583 4.724 1.00 0.00 N ATOM 0 H ARG A 49 -3.870 -14.997 4.174 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.224 -12.396 3.159 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.788 -12.309 2.980 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.957 -13.529 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.595 -15.280 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.096 -14.146 4.776 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.741 -13.302 2.827 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.499 -14.936 2.241 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.155 -14.891 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.471 -14.712 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.062 -15.310 2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.200 -15.659 5.690 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.473 -15.844 4.480 1.00 0.00 H new ATOM 881 N GLN A 50 -4.444 -12.690 6.169 1.00 0.00 N ATOM 882 CA GLN A 50 -4.743 -11.965 7.399 1.00 0.00 C ATOM 883 C GLN A 50 -3.610 -11.009 7.756 1.00 0.00 C ATOM 884 O GLN A 50 -3.845 -9.914 8.268 1.00 0.00 O ATOM 885 CB GLN A 50 -4.980 -12.946 8.548 1.00 0.00 C ATOM 886 CG GLN A 50 -6.428 -13.390 8.680 1.00 0.00 C ATOM 887 CD GLN A 50 -7.270 -12.408 9.471 1.00 0.00 C ATOM 888 OE1 GLN A 50 -6.847 -11.282 9.735 1.00 0.00 O ATOM 889 NE2 GLN A 50 -8.470 -12.830 9.853 1.00 0.00 N ATOM 0 H GLN A 50 -4.434 -13.705 6.269 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.649 -11.381 7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.351 -13.824 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.664 -12.482 9.482 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.858 -13.513 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.462 -14.365 9.165 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.780 -13.771 9.612 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.082 -12.213 10.387 1.00 0.00 H new ATOM 898 N LYS A 51 -2.379 -11.429 7.483 1.00 0.00 N ATOM 899 CA LYS A 51 -1.208 -10.610 7.774 1.00 0.00 C ATOM 900 C LYS A 51 -1.138 -9.409 6.837 1.00 0.00 C ATOM 901 O LYS A 51 -0.969 -8.273 7.281 1.00 0.00 O ATOM 902 CB LYS A 51 0.068 -11.445 7.647 1.00 0.00 C ATOM 903 CG LYS A 51 1.299 -10.766 8.223 1.00 0.00 C ATOM 904 CD LYS A 51 1.400 -10.976 9.724 1.00 0.00 C ATOM 905 CE LYS A 51 2.127 -9.823 10.400 1.00 0.00 C ATOM 906 NZ LYS A 51 2.606 -10.191 11.761 1.00 0.00 N ATOM 0 H LYS A 51 -2.166 -12.333 7.060 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.296 -10.245 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.080 -12.399 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.244 -11.666 6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.193 -11.159 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.262 -9.699 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.400 -11.075 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.926 -11.909 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.975 -9.519 9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.460 -8.964 10.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.096 -9.379 12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.794 -10.457 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.263 -10.994 11.692 1.00 0.00 H new ATOM 920 N TRP A 52 -1.270 -9.667 5.541 1.00 0.00 N ATOM 921 CA TRP A 52 -1.223 -8.605 4.542 1.00 0.00 C ATOM 922 C TRP A 52 -2.317 -7.573 4.792 1.00 0.00 C ATOM 923 O TRP A 52 -2.123 -6.381 4.554 1.00 0.00 O ATOM 924 CB TRP A 52 -1.370 -9.192 3.137 1.00 0.00 C ATOM 925 CG TRP A 52 -0.225 -10.074 2.740 1.00 0.00 C ATOM 926 CD1 TRP A 52 -0.293 -11.384 2.360 1.00 0.00 C ATOM 927 CD2 TRP A 52 1.159 -9.710 2.684 1.00 0.00 C ATOM 928 NE1 TRP A 52 0.964 -11.857 2.072 1.00 0.00 N ATOM 929 CE2 TRP A 52 1.872 -10.849 2.262 1.00 0.00 C ATOM 930 CE3 TRP A 52 1.864 -8.533 2.948 1.00 0.00 C ATOM 931 CZ2 TRP A 52 3.255 -10.842 2.100 1.00 0.00 C ATOM 932 CZ3 TRP A 52 3.236 -8.528 2.787 1.00 0.00 C ATOM 933 CH2 TRP A 52 3.920 -9.676 2.366 1.00 0.00 C ATOM 0 H TRP A 52 -1.410 -10.602 5.157 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.256 -8.108 4.622 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.296 -9.765 3.085 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.459 -8.378 2.418 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.202 -11.963 2.295 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.185 -12.805 1.766 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.345 -7.643 3.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 3.784 -11.726 1.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.791 -7.624 2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.993 -9.640 2.249 1.00 0.00 H new ATOM 944 N GLN A 53 -3.465 -8.039 5.273 1.00 0.00 N ATOM 945 CA GLN A 53 -4.590 -7.154 5.554 1.00 0.00 C ATOM 946 C GLN A 53 -4.184 -6.049 6.524 1.00 0.00 C ATOM 947 O GLN A 53 -4.669 -4.922 6.432 1.00 0.00 O ATOM 948 CB GLN A 53 -5.761 -7.951 6.132 1.00 0.00 C ATOM 949 CG GLN A 53 -7.120 -7.345 5.824 1.00 0.00 C ATOM 950 CD GLN A 53 -7.577 -7.625 4.406 1.00 0.00 C ATOM 951 OE1 GLN A 53 -7.251 -6.884 3.478 1.00 0.00 O ATOM 952 NE2 GLN A 53 -8.337 -8.700 4.230 1.00 0.00 N ATOM 0 H GLN A 53 -3.641 -9.023 5.476 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.901 -6.693 4.616 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.728 -8.967 5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.642 -8.024 7.213 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.857 -7.740 6.524 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.077 -6.267 5.981 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.583 -9.287 5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.674 -8.939 3.298 1.00 0.00 H new ATOM 961 N GLN A 54 -3.293 -6.381 7.452 1.00 0.00 N ATOM 962 CA GLN A 54 -2.823 -5.416 8.439 1.00 0.00 C ATOM 963 C GLN A 54 -1.917 -4.373 7.793 1.00 0.00 C ATOM 964 O GLN A 54 -2.019 -3.182 8.084 1.00 0.00 O ATOM 965 CB GLN A 54 -2.075 -6.131 9.566 1.00 0.00 C ATOM 966 CG GLN A 54 -1.905 -5.283 10.817 1.00 0.00 C ATOM 967 CD GLN A 54 -3.213 -4.690 11.302 1.00 0.00 C ATOM 968 OE1 GLN A 54 -4.056 -5.392 11.862 1.00 0.00 O ATOM 969 NE2 GLN A 54 -3.389 -3.392 11.089 1.00 0.00 N ATOM 0 H GLN A 54 -2.882 -7.310 7.541 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.693 -4.907 8.855 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.612 -7.043 9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.092 -6.432 9.205 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.471 -5.894 11.609 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.199 -4.478 10.613 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.663 -2.849 10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.250 -2.937 11.393 1.00 0.00 H new ATOM 978 N VAL A 55 -1.031 -4.830 6.914 1.00 0.00 N ATOM 979 CA VAL A 55 -0.107 -3.936 6.225 1.00 0.00 C ATOM 980 C VAL A 55 -0.843 -3.044 5.231 1.00 0.00 C ATOM 981 O VAL A 55 -0.520 -1.866 5.081 1.00 0.00 O ATOM 982 CB VAL A 55 0.986 -4.724 5.479 1.00 0.00 C ATOM 983 CG1 VAL A 55 1.944 -3.775 4.777 1.00 0.00 C ATOM 984 CG2 VAL A 55 1.733 -5.637 6.440 1.00 0.00 C ATOM 0 H VAL A 55 -0.933 -5.814 6.662 1.00 0.00 H new ATOM 0 HA VAL A 55 0.361 -3.315 6.989 1.00 0.00 H new ATOM 0 HB VAL A 55 0.509 -5.345 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.709 -4.350 4.256 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.393 -3.168 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.417 -3.125 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.502 -6.186 5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.199 -5.038 7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.034 -6.341 6.891 1.00 0.00 H new ATOM 994 N TRP A 56 -1.835 -3.614 4.556 1.00 0.00 N ATOM 995 CA TRP A 56 -2.618 -2.870 3.576 1.00 0.00 C ATOM 996 C TRP A 56 -3.179 -1.591 4.185 1.00 0.00 C ATOM 997 O TRP A 56 -3.276 -0.564 3.514 1.00 0.00 O ATOM 998 CB TRP A 56 -3.759 -3.737 3.040 1.00 0.00 C ATOM 999 CG TRP A 56 -4.496 -3.108 1.897 1.00 0.00 C ATOM 1000 CD1 TRP A 56 -4.295 -3.338 0.566 1.00 0.00 C ATOM 1001 CD2 TRP A 56 -5.552 -2.145 1.984 1.00 0.00 C ATOM 1002 NE1 TRP A 56 -5.161 -2.575 -0.180 1.00 0.00 N ATOM 1003 CE2 TRP A 56 -5.943 -1.835 0.667 1.00 0.00 C ATOM 1004 CE3 TRP A 56 -6.205 -1.515 3.047 1.00 0.00 C ATOM 1005 CZ2 TRP A 56 -6.958 -0.923 0.387 1.00 0.00 C ATOM 1006 CZ3 TRP A 56 -7.211 -0.610 2.768 1.00 0.00 C ATOM 1007 CH2 TRP A 56 -7.580 -0.322 1.447 1.00 0.00 C ATOM 0 H TRP A 56 -2.116 -4.588 4.669 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.958 -2.599 2.752 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.356 -4.697 2.719 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -4.462 -3.941 3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.563 -4.020 0.159 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.213 -2.562 -1.199 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.928 -1.732 4.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.244 -0.698 -0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.722 -0.116 3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.372 0.389 1.262 1.00 0.00 H new ATOM 1018 N GLN A 57 -3.547 -1.660 5.461 1.00 0.00 N ATOM 1019 CA GLN A 57 -4.100 -0.505 6.159 1.00 0.00 C ATOM 1020 C GLN A 57 -3.051 0.592 6.311 1.00 0.00 C ATOM 1021 O GLN A 57 -3.334 1.769 6.088 1.00 0.00 O ATOM 1022 CB GLN A 57 -4.625 -0.918 7.535 1.00 0.00 C ATOM 1023 CG GLN A 57 -5.939 -1.681 7.481 1.00 0.00 C ATOM 1024 CD GLN A 57 -7.109 -0.802 7.085 1.00 0.00 C ATOM 1025 OE1 GLN A 57 -7.578 -0.848 5.948 1.00 0.00 O ATOM 1026 NE2 GLN A 57 -7.587 0.006 8.025 1.00 0.00 N ATOM 0 H GLN A 57 -3.472 -2.502 6.031 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.926 -0.114 5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.876 -1.536 8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.757 -0.026 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.849 -2.502 6.769 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.137 -2.125 8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.167 0.011 8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.374 0.621 7.817 1.00 0.00 H new ATOM 1035 N GLU A 58 -1.840 0.198 6.693 1.00 0.00 N ATOM 1036 CA GLU A 58 -0.750 1.149 6.875 1.00 0.00 C ATOM 1037 C GLU A 58 -0.360 1.791 5.547 1.00 0.00 C ATOM 1038 O GLU A 58 0.042 2.954 5.502 1.00 0.00 O ATOM 1039 CB GLU A 58 0.464 0.455 7.494 1.00 0.00 C ATOM 1040 CG GLU A 58 0.297 0.138 8.971 1.00 0.00 C ATOM 1041 CD GLU A 58 0.158 1.384 9.823 1.00 0.00 C ATOM 1042 OE1 GLU A 58 1.191 2.022 10.113 1.00 0.00 O ATOM 1043 OE2 GLU A 58 -0.984 1.721 10.201 1.00 0.00 O ATOM 0 H GLU A 58 -1.589 -0.772 6.882 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.095 1.932 7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.658 -0.471 6.952 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.340 1.090 7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.583 -0.490 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.156 -0.438 9.314 1.00 0.00 H new ATOM 1050 N ILE A 59 -0.481 1.025 4.468 1.00 0.00 N ATOM 1051 CA ILE A 59 -0.142 1.518 3.139 1.00 0.00 C ATOM 1052 C ILE A 59 -1.239 2.426 2.593 1.00 0.00 C ATOM 1053 O ILE A 59 -0.960 3.426 1.932 1.00 0.00 O ATOM 1054 CB ILE A 59 0.089 0.360 2.151 1.00 0.00 C ATOM 1055 CG1 ILE A 59 1.198 -0.562 2.662 1.00 0.00 C ATOM 1056 CG2 ILE A 59 0.437 0.902 0.772 1.00 0.00 C ATOM 1057 CD1 ILE A 59 1.458 -1.750 1.763 1.00 0.00 C ATOM 0 H ILE A 59 -0.811 0.060 4.488 1.00 0.00 H new ATOM 0 HA ILE A 59 0.781 2.088 3.240 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.831 -0.219 2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.118 0.013 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.932 -0.920 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.597 0.072 0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.382 1.522 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.345 1.501 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.256 -2.359 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.551 -2.348 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.755 -1.400 0.774 1.00 0.00 H new ATOM 1069 N ASN A 60 -2.488 2.072 2.877 1.00 0.00 N ATOM 1070 CA ASN A 60 -3.628 2.856 2.415 1.00 0.00 C ATOM 1071 C ASN A 60 -3.713 4.184 3.161 1.00 0.00 C ATOM 1072 O ASN A 60 -3.798 5.248 2.549 1.00 0.00 O ATOM 1073 CB ASN A 60 -4.926 2.068 2.605 1.00 0.00 C ATOM 1074 CG ASN A 60 -6.131 2.971 2.784 1.00 0.00 C ATOM 1075 OD1 ASN A 60 -6.607 3.585 1.829 1.00 0.00 O ATOM 1076 ND2 ASN A 60 -6.628 3.057 4.012 1.00 0.00 N ATOM 0 H ASN A 60 -2.737 1.248 3.424 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.488 3.064 1.354 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.085 1.422 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.829 1.419 3.475 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.437 3.650 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.201 2.530 4.773 1.00 0.00 H new ATOM 1083 N VAL A 61 -3.690 4.113 4.489 1.00 0.00 N ATOM 1084 CA VAL A 61 -3.762 5.309 5.319 1.00 0.00 C ATOM 1085 C VAL A 61 -2.685 6.315 4.930 1.00 0.00 C ATOM 1086 O VAL A 61 -2.914 7.524 4.951 1.00 0.00 O ATOM 1087 CB VAL A 61 -3.612 4.965 6.813 1.00 0.00 C ATOM 1088 CG1 VAL A 61 -2.159 4.665 7.148 1.00 0.00 C ATOM 1089 CG2 VAL A 61 -4.144 6.099 7.677 1.00 0.00 C ATOM 0 H VAL A 61 -3.622 3.240 5.012 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.744 5.751 5.152 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.200 4.072 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.072 4.424 8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.816 3.818 6.554 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.546 5.538 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.030 5.839 8.729 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.585 7.010 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.199 6.261 7.455 1.00 0.00 H new ATOM 1099 N GLU A 62 -1.509 5.806 4.573 1.00 0.00 N ATOM 1100 CA GLU A 62 -0.396 6.661 4.179 1.00 0.00 C ATOM 1101 C GLU A 62 -0.726 7.431 2.904 1.00 0.00 C ATOM 1102 O GLU A 62 -0.544 8.646 2.835 1.00 0.00 O ATOM 1103 CB GLU A 62 0.869 5.826 3.970 1.00 0.00 C ATOM 1104 CG GLU A 62 1.998 6.588 3.298 1.00 0.00 C ATOM 1105 CD GLU A 62 2.615 7.636 4.204 1.00 0.00 C ATOM 1106 OE1 GLU A 62 1.862 8.483 4.728 1.00 0.00 O ATOM 1107 OE2 GLU A 62 3.850 7.609 4.388 1.00 0.00 O ATOM 0 H GLU A 62 -1.303 4.807 4.549 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.221 7.378 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.215 5.458 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.622 4.953 3.366 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.769 5.885 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.620 7.070 2.396 1.00 0.00 H new ATOM 1114 N ALA A 63 -1.213 6.715 1.896 1.00 0.00 N ATOM 1115 CA ALA A 63 -1.570 7.330 0.624 1.00 0.00 C ATOM 1116 C ALA A 63 -2.505 8.517 0.831 1.00 0.00 C ATOM 1117 O ALA A 63 -2.483 9.479 0.063 1.00 0.00 O ATOM 1118 CB ALA A 63 -2.214 6.303 -0.296 1.00 0.00 C ATOM 0 H ALA A 63 -1.369 5.708 1.936 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.656 7.698 0.157 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.476 6.776 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.513 5.488 -0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.115 5.908 0.174 1.00 0.00 H new ATOM 1124 N LYS A 64 -3.325 8.443 1.873 1.00 0.00 N ATOM 1125 CA LYS A 64 -4.268 9.511 2.183 1.00 0.00 C ATOM 1126 C LYS A 64 -3.548 10.716 2.780 1.00 0.00 C ATOM 1127 O LYS A 64 -4.007 11.851 2.650 1.00 0.00 O ATOM 1128 CB LYS A 64 -5.338 9.010 3.156 1.00 0.00 C ATOM 1129 CG LYS A 64 -6.576 9.888 3.204 1.00 0.00 C ATOM 1130 CD LYS A 64 -6.455 10.966 4.268 1.00 0.00 C ATOM 1131 CE LYS A 64 -6.702 10.405 5.660 1.00 0.00 C ATOM 1132 NZ LYS A 64 -8.148 10.428 6.018 1.00 0.00 N ATOM 0 H LYS A 64 -3.356 7.654 2.518 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.747 9.819 1.254 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.631 7.999 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.908 8.948 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.731 10.353 2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.452 9.272 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.461 11.411 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.170 11.763 4.063 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.332 9.381 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.138 10.984 6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.275 10.038 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.496 11.408 5.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.684 9.854 5.336 1.00 0.00 H new ATOM 1146 N GLN A 65 -2.418 10.461 3.431 1.00 0.00 N ATOM 1147 CA GLN A 65 -1.634 11.526 4.046 1.00 0.00 C ATOM 1148 C GLN A 65 -0.880 12.327 2.990 1.00 0.00 C ATOM 1149 O GLN A 65 -0.820 13.555 3.052 1.00 0.00 O ATOM 1150 CB GLN A 65 -0.650 10.943 5.061 1.00 0.00 C ATOM 1151 CG GLN A 65 -1.314 10.432 6.329 1.00 0.00 C ATOM 1152 CD GLN A 65 -0.312 10.061 7.404 1.00 0.00 C ATOM 1153 OE1 GLN A 65 0.875 10.368 7.295 1.00 0.00 O ATOM 1154 NE2 GLN A 65 -0.786 9.398 8.452 1.00 0.00 N ATOM 0 H GLN A 65 -2.025 9.527 3.546 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.321 12.197 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.101 10.125 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.081 11.707 5.326 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.988 11.196 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.923 9.561 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.778 9.164 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -0.159 9.123 9.208 1.00 0.00 H new ATOM 1163 N VAL A 66 -0.304 11.623 2.020 1.00 0.00 N ATOM 1164 CA VAL A 66 0.447 12.268 0.950 1.00 0.00 C ATOM 1165 C VAL A 66 -0.460 13.144 0.093 1.00 0.00 C ATOM 1166 O VAL A 66 -0.072 14.234 -0.330 1.00 0.00 O ATOM 1167 CB VAL A 66 1.141 11.231 0.047 1.00 0.00 C ATOM 1168 CG1 VAL A 66 1.628 11.882 -1.239 1.00 0.00 C ATOM 1169 CG2 VAL A 66 2.293 10.567 0.787 1.00 0.00 C ATOM 0 H VAL A 66 -0.343 10.606 1.954 1.00 0.00 H new ATOM 0 HA VAL A 66 1.205 12.890 1.426 1.00 0.00 H new ATOM 0 HB VAL A 66 0.416 10.461 -0.216 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.115 11.134 -1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.780 12.306 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.338 12.673 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.772 9.837 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.021 11.323 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.913 10.064 1.676 1.00 0.00 H new ATOM 1179 N LYS A 67 -1.673 12.663 -0.159 1.00 0.00 N ATOM 1180 CA LYS A 67 -2.638 13.402 -0.964 1.00 0.00 C ATOM 1181 C LYS A 67 -3.098 14.663 -0.240 1.00 0.00 C ATOM 1182 O LYS A 67 -3.387 15.681 -0.869 1.00 0.00 O ATOM 1183 CB LYS A 67 -3.845 12.519 -1.288 1.00 0.00 C ATOM 1184 CG LYS A 67 -4.840 12.406 -0.146 1.00 0.00 C ATOM 1185 CD LYS A 67 -6.225 12.032 -0.649 1.00 0.00 C ATOM 1186 CE LYS A 67 -7.049 13.267 -0.981 1.00 0.00 C ATOM 1187 NZ LYS A 67 -6.604 13.905 -2.251 1.00 0.00 N ATOM 0 H LYS A 67 -2.011 11.764 0.183 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.150 13.695 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.354 12.921 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.494 11.522 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.495 11.656 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.890 13.354 0.390 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.134 11.405 -1.536 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.741 11.441 0.108 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.100 12.991 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.970 13.986 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.382 14.470 -2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.789 14.522 -2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.330 13.168 -2.932 1.00 0.00 H new ATOM 1201 N ASP A 68 -3.161 14.589 1.085 1.00 0.00 N ATOM 1202 CA ASP A 68 -3.582 15.726 1.895 1.00 0.00 C ATOM 1203 C ASP A 68 -2.460 16.752 2.018 1.00 0.00 C ATOM 1204 O ASP A 68 -2.639 17.925 1.686 1.00 0.00 O ATOM 1205 CB ASP A 68 -4.016 15.257 3.285 1.00 0.00 C ATOM 1206 CG ASP A 68 -4.825 16.305 4.023 1.00 0.00 C ATOM 1207 OD1 ASP A 68 -5.855 16.753 3.477 1.00 0.00 O ATOM 1208 OD2 ASP A 68 -4.428 16.678 5.147 1.00 0.00 O ATOM 0 H ASP A 68 -2.926 13.754 1.621 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.429 16.199 1.399 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.607 14.346 3.190 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.133 15.004 3.872 1.00 0.00 H new ATOM 1213 N ILE A 69 -1.305 16.303 2.497 1.00 0.00 N ATOM 1214 CA ILE A 69 -0.154 17.182 2.663 1.00 0.00 C ATOM 1215 C ILE A 69 0.122 17.973 1.389 1.00 0.00 C ATOM 1216 O ILE A 69 0.466 19.154 1.442 1.00 0.00 O ATOM 1217 CB ILE A 69 1.110 16.389 3.046 1.00 0.00 C ATOM 1218 CG1 ILE A 69 1.682 15.677 1.819 1.00 0.00 C ATOM 1219 CG2 ILE A 69 0.793 15.387 4.146 1.00 0.00 C ATOM 1220 CD1 ILE A 69 2.982 14.952 2.092 1.00 0.00 C ATOM 0 H ILE A 69 -1.141 15.336 2.777 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.398 17.872 3.471 1.00 0.00 H new ATOM 0 HB ILE A 69 1.859 17.086 3.421 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.947 14.962 1.449 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.843 16.408 1.027 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.696 14.834 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.426 15.916 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.030 14.692 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.329 14.470 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.732 15.666 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.823 14.197 2.862 1.00 0.00 H new ATOM 1232 N MET A 70 -0.032 17.315 0.245 1.00 0.00 N ATOM 1233 CA MET A 70 0.198 17.958 -1.043 1.00 0.00 C ATOM 1234 C MET A 70 -0.830 19.056 -1.294 1.00 0.00 C ATOM 1235 O MET A 70 -1.973 18.966 -0.845 1.00 0.00 O ATOM 1236 CB MET A 70 0.142 16.924 -2.170 1.00 0.00 C ATOM 1237 CG MET A 70 -1.246 16.745 -2.762 1.00 0.00 C ATOM 1238 SD MET A 70 -1.559 17.856 -4.148 1.00 0.00 S ATOM 1239 CE MET A 70 -2.518 16.792 -5.224 1.00 0.00 C ATOM 0 H MET A 70 -0.315 16.337 0.184 1.00 0.00 H new ATOM 0 HA MET A 70 1.189 18.411 -1.023 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.830 17.223 -2.961 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.492 15.965 -1.789 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.365 15.714 -3.094 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.992 16.918 -1.987 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.789 17.338 -6.128 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.926 15.917 -5.492 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.424 16.473 -4.708 1.00 0.00 H new ATOM 1249 N LYS A 71 -0.416 20.094 -2.013 1.00 0.00 N ATOM 1250 CA LYS A 71 -1.301 21.211 -2.324 1.00 0.00 C ATOM 1251 C LYS A 71 -1.861 21.084 -3.738 1.00 0.00 C ATOM 1252 O LYS A 71 -1.161 20.662 -4.659 1.00 0.00 O ATOM 1253 CB LYS A 71 -0.552 22.537 -2.179 1.00 0.00 C ATOM 1254 CG LYS A 71 -1.410 23.756 -2.474 1.00 0.00 C ATOM 1255 CD LYS A 71 -2.353 24.066 -1.324 1.00 0.00 C ATOM 1256 CE LYS A 71 -1.618 24.708 -0.158 1.00 0.00 C ATOM 1257 NZ LYS A 71 -2.390 24.602 1.111 1.00 0.00 N ATOM 0 H LYS A 71 0.527 20.185 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.132 21.191 -1.619 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.161 22.615 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.306 22.536 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.768 24.617 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.987 23.585 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.143 24.733 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.835 23.147 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.647 24.229 -0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.429 25.758 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.855 25.051 1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.307 25.081 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.548 23.600 1.338 1.00 0.00 H new ATOM 1271 N THR A 72 -3.128 21.452 -3.903 1.00 0.00 N ATOM 1272 CA THR A 72 -3.781 21.379 -5.203 1.00 0.00 C ATOM 1273 C THR A 72 -3.691 22.711 -5.939 1.00 0.00 C ATOM 1274 O THR A 72 -4.179 22.847 -7.062 1.00 0.00 O ATOM 1275 CB THR A 72 -5.263 20.981 -5.066 1.00 0.00 C ATOM 1276 OG1 THR A 72 -5.839 20.785 -6.362 1.00 0.00 O ATOM 1277 CG2 THR A 72 -6.043 22.049 -4.315 1.00 0.00 C ATOM 0 H THR A 72 -3.722 21.804 -3.152 1.00 0.00 H new ATOM 0 HA THR A 72 -3.258 20.614 -5.776 1.00 0.00 H new ATOM 0 HB THR A 72 -5.316 20.051 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.395 21.372 -7.009 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.087 21.746 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.620 22.175 -3.318 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.982 22.993 -4.857 1.00 0.00 H new TER 1285 THR A 72