USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot -126:sc= -3.76! USER MOD Set 1.2: A 72 MET CE :methyl -163:sc= -0.0451 (180deg=-0.575) USER MOD Set 2.1: A 54 ASN : amide:sc= -2.64! C(o=-2.6!,f=-3.4!) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 42 MET CE :methyl 158:sc= 0 (180deg=0) USER MOD Set 3.2: A 46 THR OG1 : rot 150:sc= -0.103 USER MOD Set 4.1: A 36 GLN : amide:sc= 0 K(o=-5.9,f=-3.1!) USER MOD Set 4.2: A 39 ASN : amide:sc= -5.9! K(o=-5.9!,f=-0.17) USER MOD Set 5.1: A 34 SER OG : rot 91:sc= 0.622! USER MOD Set 5.2: A 41 TYR OH : rot -141:sc= -1.05! USER MOD Set 6.1: A 18 HIS : no HD1:sc= -3.36! K(o=-3.4!,f=-2.1) USER MOD Set 6.2: A 23 SER OG : rot -163:sc= 0.00402 USER MOD Set 7.1: A 1 MET CE :methyl -170:sc= 0 (180deg=-0.218) USER MOD Set 7.2: A 4 THR OG1 : rot -10:sc= 0.806 USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.221 (180deg=-1.37!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.74 USER MOD Single : A 11 ASN : amide:sc= -0.987! C(o=-0.99!,f=-0.92!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.0411 USER MOD Single : A 17 TYR OH : rot -37:sc= -0.587 USER MOD Single : A 19 TYR OH : rot 0:sc= -0.911 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= -0.279 (180deg=-0.723) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.1) USER MOD Single : A 47 ASN : amide:sc= -4.05! K(o=-4!,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.14) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -7.55! (180deg=-10.4!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 172:sc= -3.59! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -2.16! (180deg=-2.29!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.496 -24.045 -16.788 1.00 0.00 N ATOM 2 CA MET A 1 -11.579 -22.566 -16.735 1.00 0.00 C ATOM 3 C MET A 1 -11.207 -21.972 -18.084 1.00 0.00 C ATOM 4 O MET A 1 -11.179 -22.662 -19.084 1.00 0.00 O ATOM 5 CB MET A 1 -10.602 -22.024 -15.675 1.00 0.00 C ATOM 6 CG MET A 1 -9.176 -22.454 -16.030 1.00 0.00 C ATOM 7 SD MET A 1 -7.895 -22.196 -14.779 1.00 0.00 S ATOM 8 CE MET A 1 -8.053 -20.398 -14.658 1.00 0.00 C ATOM 0 H1 MET A 1 -11.100 -24.403 -15.895 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.447 -24.441 -16.928 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.883 -24.330 -17.578 1.00 0.00 H new ATOM 0 HA MET A 1 -12.601 -22.287 -16.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.665 -20.937 -15.629 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.872 -22.401 -14.689 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.196 -23.515 -16.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.878 -21.921 -16.933 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.229 -19.999 -14.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.026 -19.962 -15.657 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.999 -20.147 -14.178 1.00 0.00 H new ATOM 20 N LYS A 2 -10.926 -20.699 -18.091 1.00 0.00 N ATOM 21 CA LYS A 2 -10.554 -20.040 -19.365 1.00 0.00 C ATOM 22 C LYS A 2 -9.978 -18.656 -19.106 1.00 0.00 C ATOM 23 O LYS A 2 -9.306 -18.093 -19.947 1.00 0.00 O ATOM 24 CB LYS A 2 -11.818 -19.899 -20.227 1.00 0.00 C ATOM 25 CG LYS A 2 -11.429 -19.354 -21.610 1.00 0.00 C ATOM 26 CD LYS A 2 -12.667 -19.346 -22.536 1.00 0.00 C ATOM 27 CE LYS A 2 -12.864 -20.736 -23.168 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.923 -20.683 -24.215 1.00 0.00 N ATOM 0 H LYS A 2 -10.939 -20.092 -17.271 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.801 -20.643 -19.873 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -12.312 -20.865 -20.330 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.528 -19.227 -19.745 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.029 -18.345 -21.514 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.642 -19.969 -22.045 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.554 -19.067 -21.967 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.541 -18.597 -23.318 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.927 -21.080 -23.606 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.140 -21.457 -22.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.045 -21.627 -24.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.819 -20.375 -23.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.644 -20.010 -24.957 1.00 0.00 H new ATOM 42 N GLU A 3 -10.249 -18.130 -17.941 1.00 0.00 N ATOM 43 CA GLU A 3 -9.725 -16.783 -17.614 1.00 0.00 C ATOM 44 C GLU A 3 -9.818 -16.504 -16.119 1.00 0.00 C ATOM 45 O GLU A 3 -10.564 -17.146 -15.406 1.00 0.00 O ATOM 46 CB GLU A 3 -10.568 -15.742 -18.361 1.00 0.00 C ATOM 47 CG GLU A 3 -12.013 -15.817 -17.864 1.00 0.00 C ATOM 48 CD GLU A 3 -12.909 -14.989 -18.786 1.00 0.00 C ATOM 49 OE1 GLU A 3 -12.929 -13.787 -18.584 1.00 0.00 O ATOM 50 OE2 GLU A 3 -13.523 -15.606 -19.641 1.00 0.00 O ATOM 0 H GLU A 3 -10.806 -18.574 -17.211 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.678 -16.732 -17.911 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -10.165 -14.743 -18.195 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.530 -15.927 -19.434 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.350 -16.853 -17.846 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -12.078 -15.442 -16.842 1.00 0.00 H new ATOM 57 N THR A 4 -9.056 -15.545 -15.677 1.00 0.00 N ATOM 58 CA THR A 4 -9.069 -15.189 -14.237 1.00 0.00 C ATOM 59 C THR A 4 -8.425 -13.830 -14.040 1.00 0.00 C ATOM 60 O THR A 4 -7.417 -13.536 -14.639 1.00 0.00 O ATOM 61 CB THR A 4 -8.245 -16.246 -13.462 1.00 0.00 C ATOM 62 OG1 THR A 4 -9.009 -17.432 -13.525 1.00 0.00 O ATOM 63 CG2 THR A 4 -8.170 -15.918 -11.951 1.00 0.00 C ATOM 0 H THR A 4 -8.423 -14.992 -16.255 1.00 0.00 H new ATOM 0 HA THR A 4 -10.097 -15.161 -13.875 1.00 0.00 H new ATOM 0 HB THR A 4 -7.241 -16.300 -13.884 1.00 0.00 H new ATOM 0 HG1 THR A 4 -9.900 -17.229 -13.880 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.584 -16.683 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.697 -14.946 -11.813 1.00 0.00 H new ATOM 0 HG23 THR A 4 -9.177 -15.894 -11.533 1.00 0.00 H new ATOM 71 N ARG A 5 -9.031 -13.002 -13.226 1.00 0.00 N ATOM 72 CA ARG A 5 -8.442 -11.654 -12.992 1.00 0.00 C ATOM 73 C ARG A 5 -7.537 -11.709 -11.789 1.00 0.00 C ATOM 74 O ARG A 5 -7.479 -12.706 -11.099 1.00 0.00 O ATOM 75 CB ARG A 5 -9.574 -10.636 -12.736 1.00 0.00 C ATOM 76 CG ARG A 5 -10.747 -10.942 -13.674 1.00 0.00 C ATOM 77 CD ARG A 5 -10.244 -10.958 -15.122 1.00 0.00 C ATOM 78 NE ARG A 5 -9.325 -9.800 -15.329 1.00 0.00 N ATOM 79 CZ ARG A 5 -8.486 -9.816 -16.329 1.00 0.00 C ATOM 80 NH1 ARG A 5 -7.601 -10.773 -16.395 1.00 0.00 N ATOM 81 NH2 ARG A 5 -8.559 -8.873 -17.230 1.00 0.00 N ATOM 0 H ARG A 5 -9.895 -13.199 -12.721 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.869 -11.348 -13.868 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.900 -10.690 -11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.213 -9.622 -12.905 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.190 -11.905 -13.420 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.528 -10.191 -13.556 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.724 -11.893 -15.330 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.085 -10.900 -15.813 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.352 -9.002 -14.694 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.573 -11.492 -15.672 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.937 -10.802 -17.169 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.263 -8.140 -17.145 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.912 -8.870 -18.018 1.00 0.00 H new ATOM 95 N TYR A 6 -6.849 -10.642 -11.549 1.00 0.00 N ATOM 96 CA TYR A 6 -5.924 -10.608 -10.385 1.00 0.00 C ATOM 97 C TYR A 6 -5.734 -9.173 -9.910 1.00 0.00 C ATOM 98 O TYR A 6 -6.290 -8.264 -10.493 1.00 0.00 O ATOM 99 CB TYR A 6 -4.562 -11.185 -10.859 1.00 0.00 C ATOM 100 CG TYR A 6 -4.792 -12.301 -11.879 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.042 -13.588 -11.454 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.724 -12.047 -13.232 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.217 -14.601 -12.361 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.894 -13.065 -14.143 1.00 0.00 C ATOM 105 CZ TYR A 6 -5.141 -14.350 -13.715 1.00 0.00 C ATOM 106 OH TYR A 6 -5.298 -15.371 -14.629 1.00 0.00 O ATOM 0 H TYR A 6 -6.882 -9.788 -12.105 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.329 -11.192 -9.558 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.958 -10.394 -11.303 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.004 -11.571 -10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.101 -13.800 -10.397 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.536 -11.042 -13.580 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.416 -15.604 -12.012 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.833 -12.854 -15.200 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.215 -15.013 -15.537 1.00 0.00 H new ATOM 116 N CYS A 7 -4.955 -8.963 -8.859 1.00 0.00 N ATOM 117 CA CYS A 7 -4.787 -7.567 -8.420 1.00 0.00 C ATOM 118 C CYS A 7 -4.219 -6.787 -9.560 1.00 0.00 C ATOM 119 O CYS A 7 -3.291 -7.224 -10.212 1.00 0.00 O ATOM 120 CB CYS A 7 -3.874 -7.452 -7.165 1.00 0.00 C ATOM 121 SG CYS A 7 -4.025 -5.903 -6.214 1.00 0.00 S ATOM 0 H CYS A 7 -4.459 -9.674 -8.322 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.758 -7.167 -8.130 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.095 -8.287 -6.500 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.837 -7.562 -7.482 1.00 0.00 H new ATOM 126 N ALA A 8 -4.792 -5.647 -9.795 1.00 0.00 N ATOM 127 CA ALA A 8 -4.317 -4.800 -10.901 1.00 0.00 C ATOM 128 C ALA A 8 -2.788 -4.853 -11.067 1.00 0.00 C ATOM 129 O ALA A 8 -2.308 -4.882 -12.178 1.00 0.00 O ATOM 130 CB ALA A 8 -4.773 -3.351 -10.644 1.00 0.00 C ATOM 0 H ALA A 8 -5.574 -5.267 -9.262 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.746 -5.178 -11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.428 -2.711 -11.456 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.861 -3.316 -10.592 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.353 -2.999 -9.702 1.00 0.00 H new ATOM 136 N VAL A 9 -2.045 -4.912 -9.968 1.00 0.00 N ATOM 137 CA VAL A 9 -0.538 -4.963 -10.122 1.00 0.00 C ATOM 138 C VAL A 9 0.212 -5.473 -8.856 1.00 0.00 C ATOM 139 O VAL A 9 1.138 -6.255 -8.955 1.00 0.00 O ATOM 140 CB VAL A 9 -0.030 -3.498 -10.391 1.00 0.00 C ATOM 141 CG1 VAL A 9 1.516 -3.457 -10.268 1.00 0.00 C ATOM 142 CG2 VAL A 9 -0.439 -3.038 -11.808 1.00 0.00 C ATOM 0 H VAL A 9 -2.398 -4.927 -9.011 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.331 -5.659 -10.935 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.480 -2.830 -9.657 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.869 -2.443 -10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.809 -3.765 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.957 -4.135 -10.999 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.080 -2.023 -11.979 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.001 -3.707 -12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.525 -3.059 -11.898 1.00 0.00 H new ATOM 152 N CYS A 10 -0.207 -5.019 -7.720 1.00 0.00 N ATOM 153 CA CYS A 10 0.465 -5.443 -6.433 1.00 0.00 C ATOM 154 C CYS A 10 0.687 -6.967 -6.255 1.00 0.00 C ATOM 155 O CYS A 10 1.796 -7.435 -6.431 1.00 0.00 O ATOM 156 CB CYS A 10 -0.354 -4.879 -5.231 1.00 0.00 C ATOM 157 SG CYS A 10 -0.957 -6.037 -3.975 1.00 0.00 S ATOM 0 H CYS A 10 -0.986 -4.370 -7.607 1.00 0.00 H new ATOM 0 HA CYS A 10 1.472 -5.027 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.265 -4.137 -4.727 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.217 -4.351 -5.637 1.00 0.00 H new ATOM 162 N ASN A 11 -0.350 -7.723 -5.915 1.00 0.00 N ATOM 163 CA ASN A 11 -0.156 -9.202 -5.725 1.00 0.00 C ATOM 164 C ASN A 11 -0.697 -10.029 -6.870 1.00 0.00 C ATOM 165 O ASN A 11 -0.024 -10.229 -7.862 1.00 0.00 O ATOM 166 CB ASN A 11 -0.898 -9.604 -4.430 1.00 0.00 C ATOM 167 CG ASN A 11 -0.810 -11.124 -4.233 1.00 0.00 C ATOM 168 OD1 ASN A 11 0.258 -11.703 -4.246 1.00 0.00 O ATOM 169 ND2 ASN A 11 -1.912 -11.802 -4.051 1.00 0.00 N ATOM 0 H ASN A 11 -1.300 -7.383 -5.765 1.00 0.00 H new ATOM 0 HA ASN A 11 0.915 -9.398 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.460 -9.091 -3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.942 -9.295 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.873 -12.813 -3.921 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.811 -11.320 -4.039 1.00 0.00 H new ATOM 176 N ASP A 12 -1.911 -10.480 -6.726 1.00 0.00 N ATOM 177 CA ASP A 12 -2.502 -11.296 -7.791 1.00 0.00 C ATOM 178 C ASP A 12 -3.970 -11.599 -7.489 1.00 0.00 C ATOM 179 O ASP A 12 -4.709 -10.720 -7.096 1.00 0.00 O ATOM 180 CB ASP A 12 -1.728 -12.634 -7.875 1.00 0.00 C ATOM 181 CG ASP A 12 -2.049 -13.318 -9.207 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.847 -12.661 -10.215 1.00 0.00 O ATOM 183 OD2 ASP A 12 -2.477 -14.458 -9.140 1.00 0.00 O ATOM 0 H ASP A 12 -2.508 -10.313 -5.916 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.440 -10.749 -8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.656 -12.454 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.006 -13.282 -7.044 1.00 0.00 H new ATOM 188 N TYR A 13 -4.362 -12.864 -7.664 1.00 0.00 N ATOM 189 CA TYR A 13 -5.787 -13.257 -7.396 1.00 0.00 C ATOM 190 C TYR A 13 -6.425 -12.403 -6.314 1.00 0.00 C ATOM 191 O TYR A 13 -6.272 -12.649 -5.133 1.00 0.00 O ATOM 192 CB TYR A 13 -5.860 -14.701 -6.939 1.00 0.00 C ATOM 193 CG TYR A 13 -5.086 -15.632 -7.895 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.673 -16.125 -9.060 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.819 -16.062 -7.559 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.000 -17.037 -9.848 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.149 -16.970 -8.354 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.734 -17.463 -9.503 1.00 0.00 C ATOM 199 OH TYR A 13 -3.060 -18.370 -10.297 1.00 0.00 O ATOM 0 H TYR A 13 -3.755 -13.622 -7.977 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.326 -13.113 -8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.450 -14.787 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.902 -15.016 -6.886 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.659 -15.792 -9.347 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.346 -15.684 -6.664 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.469 -17.420 -10.742 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.159 -17.298 -8.075 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.182 -18.558 -9.905 1.00 0.00 H new ATOM 209 N ALA A 14 -7.120 -11.426 -6.754 1.00 0.00 N ATOM 210 CA ALA A 14 -7.803 -10.504 -5.816 1.00 0.00 C ATOM 211 C ALA A 14 -9.018 -11.177 -5.177 1.00 0.00 C ATOM 212 O ALA A 14 -9.713 -11.946 -5.811 1.00 0.00 O ATOM 213 CB ALA A 14 -8.259 -9.264 -6.621 1.00 0.00 C ATOM 0 H ALA A 14 -7.255 -11.212 -7.742 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.119 -10.220 -5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.766 -8.565 -5.956 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.390 -8.778 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.943 -9.574 -7.411 1.00 0.00 H new ATOM 219 N SER A 15 -9.248 -10.869 -3.931 1.00 0.00 N ATOM 220 CA SER A 15 -10.404 -11.473 -3.228 1.00 0.00 C ATOM 221 C SER A 15 -11.710 -11.169 -3.954 1.00 0.00 C ATOM 222 O SER A 15 -12.681 -11.884 -3.812 1.00 0.00 O ATOM 223 CB SER A 15 -10.477 -10.875 -1.815 1.00 0.00 C ATOM 224 OG SER A 15 -9.139 -10.938 -1.343 1.00 0.00 O ATOM 0 H SER A 15 -8.685 -10.226 -3.374 1.00 0.00 H new ATOM 0 HA SER A 15 -10.270 -12.554 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.845 -9.849 -1.835 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.152 -11.444 -1.176 1.00 0.00 H new ATOM 0 HG SER A 15 -9.094 -10.570 -0.436 1.00 0.00 H new ATOM 230 N GLY A 16 -11.713 -10.110 -4.723 1.00 0.00 N ATOM 231 CA GLY A 16 -12.959 -9.752 -5.466 1.00 0.00 C ATOM 232 C GLY A 16 -12.939 -8.283 -5.885 1.00 0.00 C ATOM 233 O GLY A 16 -11.926 -7.619 -5.794 1.00 0.00 O ATOM 0 H GLY A 16 -10.919 -9.486 -4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.056 -10.385 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.829 -9.944 -4.839 1.00 0.00 H new ATOM 237 N TYR A 17 -14.070 -7.808 -6.339 1.00 0.00 N ATOM 238 CA TYR A 17 -14.152 -6.389 -6.773 1.00 0.00 C ATOM 239 C TYR A 17 -14.220 -5.459 -5.558 1.00 0.00 C ATOM 240 O TYR A 17 -14.510 -5.891 -4.459 1.00 0.00 O ATOM 241 CB TYR A 17 -15.441 -6.228 -7.658 1.00 0.00 C ATOM 242 CG TYR A 17 -15.102 -5.514 -8.990 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.070 -5.965 -9.796 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.822 -4.405 -9.390 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.765 -5.313 -10.977 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.518 -3.759 -10.570 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.488 -4.206 -11.372 1.00 0.00 C ATOM 248 OH TYR A 17 -14.185 -3.556 -12.552 1.00 0.00 O ATOM 0 H TYR A 17 -14.935 -8.342 -6.426 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.264 -6.120 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.872 -7.208 -7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.193 -5.657 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.499 -6.833 -9.500 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.630 -4.041 -8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.955 -5.673 -11.594 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.092 -2.894 -10.869 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.214 -3.554 -12.685 1.00 0.00 H new ATOM 258 N HIS A 18 -13.952 -4.192 -5.781 1.00 0.00 N ATOM 259 CA HIS A 18 -13.995 -3.221 -4.650 1.00 0.00 C ATOM 260 C HIS A 18 -14.372 -1.823 -5.133 1.00 0.00 C ATOM 261 O HIS A 18 -15.127 -1.128 -4.482 1.00 0.00 O ATOM 262 CB HIS A 18 -12.598 -3.172 -4.011 1.00 0.00 C ATOM 263 CG HIS A 18 -12.337 -4.498 -3.291 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.336 -5.228 -3.465 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.114 -5.157 -2.357 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.395 -6.274 -2.747 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.498 -6.318 -2.003 1.00 0.00 N ATOM 0 H HIS A 18 -13.708 -3.796 -6.689 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.748 -3.544 -3.931 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.839 -3.002 -4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.534 -2.342 -3.308 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.059 -4.807 -1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.635 -7.042 -2.741 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.801 -7.033 -1.342 1.00 0.00 H new ATOM 275 N TYR A 19 -13.840 -1.426 -6.273 1.00 0.00 N ATOM 276 CA TYR A 19 -14.169 -0.060 -6.808 1.00 0.00 C ATOM 277 C TYR A 19 -14.425 -0.146 -8.313 1.00 0.00 C ATOM 278 O TYR A 19 -15.480 0.226 -8.790 1.00 0.00 O ATOM 279 CB TYR A 19 -12.941 0.883 -6.575 1.00 0.00 C ATOM 280 CG TYR A 19 -12.852 1.376 -5.105 1.00 0.00 C ATOM 281 CD1 TYR A 19 -13.986 1.760 -4.383 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.617 1.382 -4.450 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.886 2.115 -3.058 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.548 1.743 -3.115 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.674 2.111 -2.418 1.00 0.00 C ATOM 286 OH TYR A 19 -12.583 2.489 -1.094 1.00 0.00 O ATOM 0 H TYR A 19 -13.203 -1.979 -6.846 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.054 0.324 -6.300 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.024 0.354 -6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.013 1.743 -7.241 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.950 1.778 -4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.720 1.106 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.774 2.401 -2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.592 1.735 -2.612 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.472 2.731 -0.761 1.00 0.00 H new ATOM 296 N GLY A 20 -13.452 -0.637 -9.030 1.00 0.00 N ATOM 297 CA GLY A 20 -13.611 -0.760 -10.510 1.00 0.00 C ATOM 298 C GLY A 20 -12.587 -1.754 -11.061 1.00 0.00 C ATOM 299 O GLY A 20 -12.224 -1.704 -12.217 1.00 0.00 O ATOM 0 H GLY A 20 -12.557 -0.957 -8.659 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.621 -1.094 -10.750 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.476 0.214 -10.981 1.00 0.00 H new ATOM 303 N VAL A 21 -12.155 -2.642 -10.208 1.00 0.00 N ATOM 304 CA VAL A 21 -11.154 -3.661 -10.630 1.00 0.00 C ATOM 305 C VAL A 21 -11.195 -4.845 -9.703 1.00 0.00 C ATOM 306 O VAL A 21 -11.945 -4.877 -8.758 1.00 0.00 O ATOM 307 CB VAL A 21 -9.727 -3.054 -10.471 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.466 -1.972 -11.534 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.639 -2.432 -9.081 1.00 0.00 C ATOM 0 H VAL A 21 -12.453 -2.705 -9.235 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.375 -3.954 -11.656 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.980 -3.837 -10.600 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.464 -1.565 -11.400 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.550 -2.411 -12.528 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.199 -1.173 -11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.649 -1.998 -8.939 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.395 -1.653 -8.982 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.810 -3.200 -8.327 1.00 0.00 H new ATOM 319 N TRP A 22 -10.356 -5.786 -9.985 1.00 0.00 N ATOM 320 CA TRP A 22 -10.285 -7.009 -9.145 1.00 0.00 C ATOM 321 C TRP A 22 -9.052 -6.860 -8.281 1.00 0.00 C ATOM 322 O TRP A 22 -8.018 -7.394 -8.596 1.00 0.00 O ATOM 323 CB TRP A 22 -10.113 -8.232 -10.064 1.00 0.00 C ATOM 324 CG TRP A 22 -11.335 -8.367 -10.968 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.381 -7.922 -12.207 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.465 -8.942 -10.626 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.615 -8.255 -12.622 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.373 -8.911 -11.670 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.820 -9.529 -9.425 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.626 -9.466 -11.514 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -14.076 -10.083 -9.273 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.977 -10.051 -10.315 1.00 0.00 C ATOM 0 H TRP A 22 -9.706 -5.765 -10.771 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.183 -7.139 -8.541 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.212 -8.123 -10.667 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.989 -9.135 -9.466 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.608 -7.409 -12.760 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.962 -8.042 -13.557 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -12.116 -9.554 -8.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -15.332 -9.443 -12.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -14.353 -10.542 -8.335 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.959 -10.484 -10.193 1.00 0.00 H new ATOM 343 N SER A 23 -9.187 -6.114 -7.193 1.00 0.00 N ATOM 344 CA SER A 23 -8.016 -5.898 -6.276 1.00 0.00 C ATOM 345 C SER A 23 -8.113 -6.683 -5.005 1.00 0.00 C ATOM 346 O SER A 23 -9.174 -7.074 -4.568 1.00 0.00 O ATOM 347 CB SER A 23 -7.937 -4.383 -5.921 1.00 0.00 C ATOM 348 OG SER A 23 -9.208 -3.877 -6.268 1.00 0.00 O ATOM 0 H SER A 23 -10.051 -5.653 -6.908 1.00 0.00 H new ATOM 0 HA SER A 23 -7.124 -6.240 -6.801 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.725 -4.233 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.144 -3.884 -6.479 1.00 0.00 H new ATOM 0 HG SER A 23 -9.164 -2.900 -6.334 1.00 0.00 H new ATOM 354 N CYS A 24 -6.977 -6.883 -4.434 1.00 0.00 N ATOM 355 CA CYS A 24 -6.916 -7.637 -3.174 1.00 0.00 C ATOM 356 C CYS A 24 -7.466 -6.788 -2.028 1.00 0.00 C ATOM 357 O CYS A 24 -7.287 -5.586 -2.003 1.00 0.00 O ATOM 358 CB CYS A 24 -5.447 -7.980 -2.893 1.00 0.00 C ATOM 359 SG CYS A 24 -4.364 -6.630 -2.364 1.00 0.00 S ATOM 0 H CYS A 24 -6.079 -6.554 -4.789 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.514 -8.545 -3.255 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.422 -8.753 -2.124 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.024 -8.417 -3.798 1.00 0.00 H new ATOM 364 N GLU A 25 -8.127 -7.425 -1.106 1.00 0.00 N ATOM 365 CA GLU A 25 -8.697 -6.673 0.043 1.00 0.00 C ATOM 366 C GLU A 25 -7.664 -5.736 0.665 1.00 0.00 C ATOM 367 O GLU A 25 -8.001 -4.684 1.170 1.00 0.00 O ATOM 368 CB GLU A 25 -9.139 -7.692 1.107 1.00 0.00 C ATOM 369 CG GLU A 25 -9.850 -6.957 2.250 1.00 0.00 C ATOM 370 CD GLU A 25 -10.324 -7.977 3.289 1.00 0.00 C ATOM 371 OE1 GLU A 25 -9.703 -9.026 3.342 1.00 0.00 O ATOM 372 OE2 GLU A 25 -11.281 -7.650 3.973 1.00 0.00 O ATOM 0 H GLU A 25 -8.297 -8.431 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.534 -6.072 -0.311 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.807 -8.431 0.664 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.274 -8.233 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.174 -6.238 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.699 -6.393 1.863 1.00 0.00 H new ATOM 379 N GLY A 26 -6.427 -6.131 0.611 1.00 0.00 N ATOM 380 CA GLY A 26 -5.355 -5.274 1.199 1.00 0.00 C ATOM 381 C GLY A 26 -5.284 -3.902 0.510 1.00 0.00 C ATOM 382 O GLY A 26 -5.500 -2.885 1.135 1.00 0.00 O ATOM 0 H GLY A 26 -6.108 -7.003 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.541 -5.137 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.393 -5.779 1.106 1.00 0.00 H new ATOM 386 N CYS A 27 -4.980 -3.895 -0.759 1.00 0.00 N ATOM 387 CA CYS A 27 -4.895 -2.591 -1.478 1.00 0.00 C ATOM 388 C CYS A 27 -6.096 -1.719 -1.165 1.00 0.00 C ATOM 389 O CYS A 27 -5.955 -0.572 -0.855 1.00 0.00 O ATOM 390 CB CYS A 27 -4.851 -2.867 -2.999 1.00 0.00 C ATOM 391 SG CYS A 27 -3.265 -3.347 -3.706 1.00 0.00 S ATOM 0 H CYS A 27 -4.789 -4.723 -1.323 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.996 -2.067 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.571 -3.655 -3.220 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.192 -1.969 -3.515 1.00 0.00 H new ATOM 396 N LYS A 28 -7.249 -2.273 -1.266 1.00 0.00 N ATOM 397 CA LYS A 28 -8.456 -1.472 -0.971 1.00 0.00 C ATOM 398 C LYS A 28 -8.319 -0.838 0.410 1.00 0.00 C ATOM 399 O LYS A 28 -8.455 0.351 0.555 1.00 0.00 O ATOM 400 CB LYS A 28 -9.683 -2.449 -1.043 1.00 0.00 C ATOM 401 CG LYS A 28 -10.846 -2.008 -0.124 1.00 0.00 C ATOM 402 CD LYS A 28 -11.358 -0.633 -0.555 1.00 0.00 C ATOM 403 CE LYS A 28 -12.429 -0.164 0.447 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.157 -1.329 1.024 1.00 0.00 N ATOM 0 H LYS A 28 -7.417 -3.242 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.591 -0.661 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.039 -2.505 -2.072 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.362 -3.452 -0.761 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.654 -2.738 -0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.509 -1.972 0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.536 0.082 -0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.778 -0.685 -1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.960 0.410 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.134 0.501 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.971 -0.991 1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.492 -1.944 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.517 -1.866 1.643 1.00 0.00 H new ATOM 418 N ALA A 29 -8.029 -1.645 1.388 1.00 0.00 N ATOM 419 CA ALA A 29 -7.879 -1.101 2.765 1.00 0.00 C ATOM 420 C ALA A 29 -6.860 0.037 2.795 1.00 0.00 C ATOM 421 O ALA A 29 -7.156 1.128 3.242 1.00 0.00 O ATOM 422 CB ALA A 29 -7.393 -2.237 3.685 1.00 0.00 C ATOM 0 H ALA A 29 -7.890 -2.651 1.296 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.840 -0.711 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.277 -1.858 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.123 -3.046 3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.435 -2.612 3.325 1.00 0.00 H new ATOM 428 N PHE A 30 -5.682 -0.241 2.321 1.00 0.00 N ATOM 429 CA PHE A 30 -4.624 0.807 2.308 1.00 0.00 C ATOM 430 C PHE A 30 -5.059 1.970 1.469 1.00 0.00 C ATOM 431 O PHE A 30 -4.996 3.114 1.873 1.00 0.00 O ATOM 432 CB PHE A 30 -3.363 0.192 1.649 1.00 0.00 C ATOM 433 CG PHE A 30 -2.333 1.300 1.319 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.413 2.015 0.120 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.320 1.603 2.210 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.488 3.012 -0.165 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.407 2.595 1.917 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.494 3.292 0.736 1.00 0.00 C ATOM 0 H PHE A 30 -5.404 -1.146 1.942 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.429 1.145 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.915 -0.542 2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.642 -0.337 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.197 1.791 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.243 1.060 3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.552 3.563 -1.092 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.380 2.825 2.620 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.226 4.066 0.516 1.00 0.00 H new ATOM 448 N PHE A 31 -5.490 1.642 0.321 1.00 0.00 N ATOM 449 CA PHE A 31 -5.947 2.656 -0.610 1.00 0.00 C ATOM 450 C PHE A 31 -7.080 3.493 -0.014 1.00 0.00 C ATOM 451 O PHE A 31 -7.172 4.664 -0.285 1.00 0.00 O ATOM 452 CB PHE A 31 -6.423 1.905 -1.853 1.00 0.00 C ATOM 453 CG PHE A 31 -6.876 2.893 -2.936 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.047 3.898 -3.368 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.156 2.831 -3.422 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.496 4.834 -4.251 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.628 3.767 -4.308 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.789 4.780 -4.734 1.00 0.00 C ATOM 0 H PHE A 31 -5.547 0.684 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.145 3.355 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.618 1.279 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.246 1.241 -1.591 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.031 3.947 -3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.806 2.030 -3.102 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.836 5.624 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.645 3.713 -4.669 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.141 5.521 -5.437 1.00 0.00 H new ATOM 468 N LYS A 32 -7.904 2.880 0.815 1.00 0.00 N ATOM 469 CA LYS A 32 -9.036 3.649 1.431 1.00 0.00 C ATOM 470 C LYS A 32 -8.510 4.718 2.374 1.00 0.00 C ATOM 471 O LYS A 32 -9.007 5.826 2.413 1.00 0.00 O ATOM 472 CB LYS A 32 -9.940 2.657 2.243 1.00 0.00 C ATOM 473 CG LYS A 32 -11.419 3.072 2.102 1.00 0.00 C ATOM 474 CD LYS A 32 -12.232 2.469 3.259 1.00 0.00 C ATOM 475 CE LYS A 32 -13.728 2.667 2.984 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.516 2.479 4.236 1.00 0.00 N ATOM 0 H LYS A 32 -7.841 1.899 1.086 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.608 4.130 0.637 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.801 1.640 1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.649 2.661 3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.505 4.159 2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.815 2.728 1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.007 1.408 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.957 2.946 4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.902 3.666 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.062 1.958 2.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.527 2.616 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.363 1.517 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.208 3.172 4.947 1.00 0.00 H new ATOM 490 N ARG A 33 -7.515 4.358 3.113 1.00 0.00 N ATOM 491 CA ARG A 33 -6.923 5.315 4.070 1.00 0.00 C ATOM 492 C ARG A 33 -5.999 6.297 3.362 1.00 0.00 C ATOM 493 O ARG A 33 -5.621 7.312 3.913 1.00 0.00 O ATOM 494 CB ARG A 33 -6.090 4.490 5.065 1.00 0.00 C ATOM 495 CG ARG A 33 -5.759 5.335 6.300 1.00 0.00 C ATOM 496 CD ARG A 33 -4.660 4.635 7.101 1.00 0.00 C ATOM 497 NE ARG A 33 -4.901 3.165 7.068 1.00 0.00 N ATOM 498 CZ ARG A 33 -3.949 2.350 7.433 1.00 0.00 C ATOM 499 NH1 ARG A 33 -2.863 2.845 7.962 1.00 0.00 N ATOM 500 NH2 ARG A 33 -4.115 1.068 7.258 1.00 0.00 N ATOM 0 H ARG A 33 -7.081 3.435 3.097 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.712 5.884 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.642 3.598 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.170 4.152 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.430 6.330 5.999 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.649 5.466 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.681 4.866 6.680 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.657 4.994 8.130 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.803 2.799 6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.769 3.853 8.084 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.109 2.223 8.253 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.978 0.718 6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.382 0.416 7.537 1.00 0.00 H new ATOM 514 N SER A 34 -5.668 5.981 2.140 1.00 0.00 N ATOM 515 CA SER A 34 -4.755 6.874 1.351 1.00 0.00 C ATOM 516 C SER A 34 -5.399 7.531 0.128 1.00 0.00 C ATOM 517 O SER A 34 -4.725 8.246 -0.583 1.00 0.00 O ATOM 518 CB SER A 34 -3.649 5.990 0.830 1.00 0.00 C ATOM 519 OG SER A 34 -3.031 5.470 1.999 1.00 0.00 O ATOM 0 H SER A 34 -5.987 5.146 1.649 1.00 0.00 H new ATOM 0 HA SER A 34 -4.438 7.679 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.042 5.192 0.200 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.941 6.555 0.224 1.00 0.00 H new ATOM 0 HG SER A 34 -3.458 4.623 2.245 1.00 0.00 H new ATOM 525 N ILE A 35 -6.660 7.286 -0.127 1.00 0.00 N ATOM 526 CA ILE A 35 -7.276 7.945 -1.346 1.00 0.00 C ATOM 527 C ILE A 35 -6.888 9.410 -1.454 1.00 0.00 C ATOM 528 O ILE A 35 -7.109 10.027 -2.477 1.00 0.00 O ATOM 529 CB ILE A 35 -8.827 7.858 -1.343 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.318 6.479 -0.891 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.324 8.108 -2.798 1.00 0.00 C ATOM 532 CD1 ILE A 35 -9.013 5.433 -1.983 1.00 0.00 C ATOM 0 H ILE A 35 -7.277 6.687 0.422 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.884 7.394 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.217 8.601 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.830 6.197 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.390 6.511 -0.694 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.412 8.053 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.003 9.096 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.905 7.351 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.364 4.454 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.521 5.712 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.938 5.393 -2.159 1.00 0.00 H new ATOM 544 N GLN A 36 -6.341 9.961 -0.418 1.00 0.00 N ATOM 545 CA GLN A 36 -5.956 11.373 -0.514 1.00 0.00 C ATOM 546 C GLN A 36 -4.771 11.487 -1.456 1.00 0.00 C ATOM 547 O GLN A 36 -3.955 10.590 -1.537 1.00 0.00 O ATOM 548 CB GLN A 36 -5.538 11.883 0.863 1.00 0.00 C ATOM 549 CG GLN A 36 -6.717 11.751 1.829 1.00 0.00 C ATOM 550 CD GLN A 36 -6.356 12.408 3.163 1.00 0.00 C ATOM 551 OE1 GLN A 36 -5.207 12.683 3.442 1.00 0.00 O ATOM 552 NE2 GLN A 36 -7.308 12.675 4.015 1.00 0.00 N ATOM 0 H GLN A 36 -6.149 9.501 0.472 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.797 11.961 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.685 11.313 1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.221 12.924 0.797 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.603 12.224 1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.960 10.700 1.983 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.276 12.447 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.084 13.112 4.909 1.00 0.00 H new ATOM 561 N GLY A 37 -4.691 12.571 -2.151 1.00 0.00 N ATOM 562 CA GLY A 37 -3.546 12.754 -3.106 1.00 0.00 C ATOM 563 C GLY A 37 -2.411 13.491 -2.409 1.00 0.00 C ATOM 564 O GLY A 37 -1.430 12.897 -2.004 1.00 0.00 O ATOM 0 H GLY A 37 -5.356 13.343 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.198 11.784 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.875 13.316 -3.980 1.00 0.00 H new ATOM 568 N HIS A 38 -2.572 14.776 -2.286 1.00 0.00 N ATOM 569 CA HIS A 38 -1.525 15.587 -1.621 1.00 0.00 C ATOM 570 C HIS A 38 -1.236 15.050 -0.224 1.00 0.00 C ATOM 571 O HIS A 38 -1.924 15.372 0.725 1.00 0.00 O ATOM 572 CB HIS A 38 -2.030 17.031 -1.503 1.00 0.00 C ATOM 573 CG HIS A 38 -2.365 17.563 -2.898 1.00 0.00 C ATOM 574 ND1 HIS A 38 -3.389 18.216 -3.186 1.00 0.00 N ATOM 575 CD2 HIS A 38 -1.658 17.448 -4.079 1.00 0.00 C ATOM 576 CE1 HIS A 38 -3.412 18.529 -4.414 1.00 0.00 C ATOM 577 NE2 HIS A 38 -2.342 18.081 -5.071 1.00 0.00 N ATOM 0 H HIS A 38 -3.383 15.298 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.609 15.542 -2.211 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.913 17.069 -0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.271 17.657 -1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.714 16.937 -4.197 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.208 19.094 -4.876 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.100 18.185 -6.056 1.00 0.00 H new ATOM 585 N ASN A 39 -0.222 14.242 -0.130 1.00 0.00 N ATOM 586 CA ASN A 39 0.145 13.662 1.185 1.00 0.00 C ATOM 587 C ASN A 39 1.582 13.146 1.137 1.00 0.00 C ATOM 588 O ASN A 39 2.142 13.010 0.075 1.00 0.00 O ATOM 589 CB ASN A 39 -0.831 12.500 1.479 1.00 0.00 C ATOM 590 CG ASN A 39 -0.973 12.318 2.996 1.00 0.00 C ATOM 591 OD1 ASN A 39 -2.037 12.493 3.555 1.00 0.00 O ATOM 592 ND2 ASN A 39 0.073 11.970 3.693 1.00 0.00 N ATOM 0 H ASN A 39 0.370 13.958 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 39 0.078 14.415 1.970 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.804 12.708 1.035 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.464 11.580 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -0.005 11.846 4.702 1.00 0.00 H new ATOM 0 HD22 ASN A 39 0.969 11.822 3.229 1.00 0.00 H new ATOM 599 N ASP A 40 2.153 12.886 2.297 1.00 0.00 N ATOM 600 CA ASP A 40 3.570 12.373 2.347 1.00 0.00 C ATOM 601 C ASP A 40 3.841 11.401 1.223 1.00 0.00 C ATOM 602 O ASP A 40 4.071 11.780 0.094 1.00 0.00 O ATOM 603 CB ASP A 40 3.762 11.659 3.710 1.00 0.00 C ATOM 604 CG ASP A 40 3.799 12.702 4.828 1.00 0.00 C ATOM 605 OD1 ASP A 40 2.723 13.020 5.309 1.00 0.00 O ATOM 606 OD2 ASP A 40 4.902 13.121 5.141 1.00 0.00 O ATOM 0 H ASP A 40 1.704 13.005 3.205 1.00 0.00 H new ATOM 0 HA ASP A 40 4.264 13.206 2.236 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.948 10.954 3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.687 11.083 3.704 1.00 0.00 H new ATOM 611 N TYR A 41 3.857 10.206 1.578 1.00 0.00 N ATOM 612 CA TYR A 41 4.102 9.119 0.598 1.00 0.00 C ATOM 613 C TYR A 41 5.395 9.319 -0.190 1.00 0.00 C ATOM 614 O TYR A 41 5.551 10.285 -0.901 1.00 0.00 O ATOM 615 CB TYR A 41 2.925 9.109 -0.406 1.00 0.00 C ATOM 616 CG TYR A 41 1.624 8.685 0.302 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.037 9.499 1.245 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.013 7.499 -0.027 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.141 9.136 1.851 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.177 7.117 0.578 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.764 7.938 1.527 1.00 0.00 C ATOM 622 OH TYR A 41 -1.945 7.573 2.137 1.00 0.00 O ATOM 0 H TYR A 41 3.708 9.890 2.536 1.00 0.00 H new ATOM 0 HA TYR A 41 4.189 8.183 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.803 10.100 -0.844 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.142 8.423 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.508 10.434 1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.465 6.855 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.587 9.789 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.644 6.181 0.309 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.939 6.609 2.311 1.00 0.00 H new ATOM 632 N MET A 42 6.293 8.382 -0.048 1.00 0.00 N ATOM 633 CA MET A 42 7.583 8.479 -0.776 1.00 0.00 C ATOM 634 C MET A 42 8.483 7.303 -0.412 1.00 0.00 C ATOM 635 O MET A 42 8.607 6.937 0.741 1.00 0.00 O ATOM 636 CB MET A 42 8.299 9.819 -0.396 1.00 0.00 C ATOM 637 CG MET A 42 8.392 10.752 -1.625 1.00 0.00 C ATOM 638 SD MET A 42 8.780 12.496 -1.317 1.00 0.00 S ATOM 639 CE MET A 42 9.526 12.857 -2.928 1.00 0.00 C ATOM 0 H MET A 42 6.186 7.556 0.541 1.00 0.00 H new ATOM 0 HA MET A 42 7.386 8.458 -1.848 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.751 10.316 0.405 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.299 9.609 -0.016 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.151 10.351 -2.296 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.441 10.707 -2.156 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.485 13.930 -3.116 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.565 12.527 -2.930 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.977 12.331 -3.709 1.00 0.00 H new ATOM 649 N CYS A 43 9.087 6.744 -1.404 1.00 0.00 N ATOM 650 CA CYS A 43 9.990 5.587 -1.155 1.00 0.00 C ATOM 651 C CYS A 43 11.291 6.077 -0.449 1.00 0.00 C ATOM 652 O CYS A 43 11.641 7.236 -0.557 1.00 0.00 O ATOM 653 CB CYS A 43 10.359 4.936 -2.539 1.00 0.00 C ATOM 654 SG CYS A 43 9.275 5.272 -3.945 1.00 0.00 S ATOM 0 H CYS A 43 9.001 7.031 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 43 9.492 4.858 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 43 11.364 5.263 -2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.402 3.856 -2.400 1.00 0.00 H new ATOM 659 N PRO A 44 11.989 5.182 0.265 1.00 0.00 N ATOM 660 CA PRO A 44 13.228 5.571 0.956 1.00 0.00 C ATOM 661 C PRO A 44 14.342 5.924 -0.056 1.00 0.00 C ATOM 662 O PRO A 44 15.512 5.895 0.275 1.00 0.00 O ATOM 663 CB PRO A 44 13.637 4.308 1.784 1.00 0.00 C ATOM 664 CG PRO A 44 12.693 3.144 1.337 1.00 0.00 C ATOM 665 CD PRO A 44 11.580 3.771 0.457 1.00 0.00 C ATOM 0 HA PRO A 44 13.082 6.453 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.680 4.050 1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.536 4.498 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.248 2.391 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.262 2.643 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.493 3.252 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.608 3.705 0.945 1.00 0.00 H new ATOM 673 N ALA A 45 13.949 6.252 -1.264 1.00 0.00 N ATOM 674 CA ALA A 45 14.953 6.605 -2.302 1.00 0.00 C ATOM 675 C ALA A 45 14.349 7.558 -3.241 1.00 0.00 C ATOM 676 O ALA A 45 15.030 8.302 -3.920 1.00 0.00 O ATOM 677 CB ALA A 45 15.320 5.343 -3.064 1.00 0.00 C ATOM 0 H ALA A 45 12.977 6.289 -1.570 1.00 0.00 H new ATOM 0 HA ALA A 45 15.837 7.043 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 45 16.057 5.582 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.739 4.610 -2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.428 4.929 -3.534 1.00 0.00 H new ATOM 683 N THR A 46 13.073 7.511 -3.291 1.00 0.00 N ATOM 684 CA THR A 46 12.351 8.413 -4.181 1.00 0.00 C ATOM 685 C THR A 46 12.809 8.223 -5.630 1.00 0.00 C ATOM 686 O THR A 46 12.433 8.961 -6.517 1.00 0.00 O ATOM 687 CB THR A 46 12.634 9.863 -3.674 1.00 0.00 C ATOM 688 OG1 THR A 46 11.554 10.162 -2.816 1.00 0.00 O ATOM 689 CG2 THR A 46 12.523 10.919 -4.793 1.00 0.00 C ATOM 0 H THR A 46 12.490 6.877 -2.745 1.00 0.00 H new ATOM 0 HA THR A 46 11.280 8.209 -4.169 1.00 0.00 H new ATOM 0 HB THR A 46 13.633 9.894 -3.240 1.00 0.00 H new ATOM 0 HG1 THR A 46 11.852 10.782 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.730 11.907 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.245 10.694 -5.578 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.516 10.903 -5.210 1.00 0.00 H new ATOM 697 N ASN A 47 13.591 7.207 -5.838 1.00 0.00 N ATOM 698 CA ASN A 47 14.102 6.923 -7.213 1.00 0.00 C ATOM 699 C ASN A 47 13.270 5.836 -7.873 1.00 0.00 C ATOM 700 O ASN A 47 13.798 4.953 -8.518 1.00 0.00 O ATOM 701 CB ASN A 47 15.549 6.424 -7.099 1.00 0.00 C ATOM 702 CG ASN A 47 16.112 6.190 -8.503 1.00 0.00 C ATOM 703 OD1 ASN A 47 17.191 5.658 -8.670 1.00 0.00 O ATOM 704 ND2 ASN A 47 15.412 6.572 -9.537 1.00 0.00 N ATOM 0 H ASN A 47 13.902 6.556 -5.117 1.00 0.00 H new ATOM 0 HA ASN A 47 14.045 7.832 -7.812 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.158 7.155 -6.567 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.583 5.500 -6.522 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.772 6.423 -10.480 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.505 7.019 -9.402 1.00 0.00 H new ATOM 711 N GLN A 48 11.978 5.919 -7.692 1.00 0.00 N ATOM 712 CA GLN A 48 11.083 4.900 -8.298 1.00 0.00 C ATOM 713 C GLN A 48 11.409 3.506 -7.768 1.00 0.00 C ATOM 714 O GLN A 48 12.559 3.141 -7.645 1.00 0.00 O ATOM 715 CB GLN A 48 11.283 4.919 -9.829 1.00 0.00 C ATOM 716 CG GLN A 48 10.076 4.267 -10.501 1.00 0.00 C ATOM 717 CD GLN A 48 8.883 5.221 -10.433 1.00 0.00 C ATOM 718 OE1 GLN A 48 7.966 5.029 -9.659 1.00 0.00 O ATOM 719 NE2 GLN A 48 8.856 6.260 -11.221 1.00 0.00 N ATOM 0 H GLN A 48 11.509 6.647 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 48 10.050 5.135 -8.040 1.00 0.00 H new ATOM 0 HB2 GLN A 48 11.400 5.944 -10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.195 4.385 -10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.308 4.030 -11.539 1.00 0.00 H new ATOM 0 HG3 GLN A 48 9.833 3.327 -10.006 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.623 6.426 -11.873 1.00 0.00 H new ATOM 0 HE22 GLN A 48 8.068 6.907 -11.186 1.00 0.00 H new ATOM 728 N CYS A 49 10.385 2.751 -7.464 1.00 0.00 N ATOM 729 CA CYS A 49 10.619 1.376 -6.939 1.00 0.00 C ATOM 730 C CYS A 49 9.419 0.475 -7.228 1.00 0.00 C ATOM 731 O CYS A 49 8.298 0.935 -7.323 1.00 0.00 O ATOM 732 CB CYS A 49 10.830 1.474 -5.417 1.00 0.00 C ATOM 733 SG CYS A 49 9.365 1.391 -4.360 1.00 0.00 S ATOM 0 H CYS A 49 9.407 3.025 -7.556 1.00 0.00 H new ATOM 0 HA CYS A 49 11.494 0.945 -7.425 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.505 0.671 -5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.341 2.414 -5.209 1.00 0.00 H new ATOM 738 N THR A 50 9.682 -0.797 -7.364 1.00 0.00 N ATOM 739 CA THR A 50 8.580 -1.754 -7.650 1.00 0.00 C ATOM 740 C THR A 50 7.612 -1.863 -6.476 1.00 0.00 C ATOM 741 O THR A 50 7.787 -1.230 -5.455 1.00 0.00 O ATOM 742 CB THR A 50 9.203 -3.135 -7.906 1.00 0.00 C ATOM 743 OG1 THR A 50 10.096 -2.947 -8.985 1.00 0.00 O ATOM 744 CG2 THR A 50 8.157 -4.134 -8.439 1.00 0.00 C ATOM 0 H THR A 50 10.611 -1.212 -7.289 1.00 0.00 H new ATOM 0 HA THR A 50 8.022 -1.398 -8.516 1.00 0.00 H new ATOM 0 HB THR A 50 9.645 -3.511 -6.983 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.533 -3.798 -9.200 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.631 -5.101 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.356 -4.246 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.744 -3.762 -9.377 1.00 0.00 H new ATOM 752 N ILE A 51 6.597 -2.676 -6.657 1.00 0.00 N ATOM 753 CA ILE A 51 5.579 -2.870 -5.581 1.00 0.00 C ATOM 754 C ILE A 51 5.124 -4.341 -5.574 1.00 0.00 C ATOM 755 O ILE A 51 4.907 -4.928 -6.616 1.00 0.00 O ATOM 756 CB ILE A 51 4.375 -1.876 -5.884 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.246 -0.836 -4.761 1.00 0.00 C ATOM 758 CG2 ILE A 51 3.007 -2.630 -6.014 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.672 -1.488 -3.494 1.00 0.00 C ATOM 0 H ILE A 51 6.432 -3.214 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 51 5.984 -2.651 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 51 4.601 -1.390 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.222 -0.402 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.599 -0.021 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.214 -1.912 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.065 -3.351 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.789 -3.152 -5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.586 -0.739 -2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.687 -1.901 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.335 -2.287 -3.164 1.00 0.00 H new ATOM 771 N ASP A 52 4.992 -4.906 -4.393 1.00 0.00 N ATOM 772 CA ASP A 52 4.555 -6.334 -4.303 1.00 0.00 C ATOM 773 C ASP A 52 3.777 -6.595 -3.011 1.00 0.00 C ATOM 774 O ASP A 52 2.599 -6.306 -2.929 1.00 0.00 O ATOM 775 CB ASP A 52 5.811 -7.222 -4.313 1.00 0.00 C ATOM 776 CG ASP A 52 6.392 -7.261 -5.728 1.00 0.00 C ATOM 777 OD1 ASP A 52 5.623 -7.579 -6.621 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.572 -6.969 -5.837 1.00 0.00 O ATOM 0 H ASP A 52 5.166 -4.444 -3.500 1.00 0.00 H new ATOM 0 HA ASP A 52 3.903 -6.558 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.551 -6.832 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.560 -8.230 -3.983 1.00 0.00 H new ATOM 783 N LYS A 53 4.448 -7.139 -2.019 1.00 0.00 N ATOM 784 CA LYS A 53 3.748 -7.419 -0.735 1.00 0.00 C ATOM 785 C LYS A 53 4.729 -7.558 0.429 1.00 0.00 C ATOM 786 O LYS A 53 5.852 -7.983 0.255 1.00 0.00 O ATOM 787 CB LYS A 53 2.983 -8.746 -0.886 1.00 0.00 C ATOM 788 CG LYS A 53 3.927 -9.817 -1.481 1.00 0.00 C ATOM 789 CD LYS A 53 3.403 -11.233 -1.134 1.00 0.00 C ATOM 790 CE LYS A 53 3.918 -11.656 0.254 1.00 0.00 C ATOM 791 NZ LYS A 53 3.534 -13.066 0.542 1.00 0.00 N ATOM 0 H LYS A 53 5.435 -7.395 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 53 3.079 -6.586 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.607 -9.074 0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.117 -8.608 -1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.990 -9.698 -2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.935 -9.686 -1.086 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.313 -11.240 -1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.734 -11.948 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.002 -11.552 0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.506 -10.997 1.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.888 -13.337 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.498 -13.154 0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.947 -13.692 -0.178 1.00 0.00 H new ATOM 805 N ASN A 54 4.265 -7.197 1.599 1.00 0.00 N ATOM 806 CA ASN A 54 5.119 -7.283 2.818 1.00 0.00 C ATOM 807 C ASN A 54 4.286 -6.881 4.036 1.00 0.00 C ATOM 808 O ASN A 54 3.760 -7.717 4.743 1.00 0.00 O ATOM 809 CB ASN A 54 6.312 -6.295 2.660 1.00 0.00 C ATOM 810 CG ASN A 54 7.502 -7.016 2.017 1.00 0.00 C ATOM 811 OD1 ASN A 54 7.803 -8.149 2.336 1.00 0.00 O ATOM 812 ND2 ASN A 54 8.202 -6.396 1.107 1.00 0.00 N ATOM 0 H ASN A 54 3.322 -6.843 1.761 1.00 0.00 H new ATOM 0 HA ASN A 54 5.493 -8.299 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.014 -5.446 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.599 -5.898 3.634 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.996 -6.863 0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.955 -5.445 0.834 1.00 0.00 H new ATOM 819 N ARG A 55 4.190 -5.594 4.248 1.00 0.00 N ATOM 820 CA ARG A 55 3.403 -5.062 5.400 1.00 0.00 C ATOM 821 C ARG A 55 2.282 -4.213 4.855 1.00 0.00 C ATOM 822 O ARG A 55 1.241 -4.709 4.472 1.00 0.00 O ATOM 823 CB ARG A 55 4.337 -4.185 6.264 1.00 0.00 C ATOM 824 CG ARG A 55 5.262 -5.086 7.083 1.00 0.00 C ATOM 825 CD ARG A 55 6.101 -4.215 8.022 1.00 0.00 C ATOM 826 NE ARG A 55 6.801 -5.092 9.000 1.00 0.00 N ATOM 827 CZ ARG A 55 7.305 -4.568 10.084 1.00 0.00 C ATOM 828 NH1 ARG A 55 7.529 -3.282 10.117 1.00 0.00 N ATOM 829 NH2 ARG A 55 7.570 -5.346 11.097 1.00 0.00 N ATOM 0 H ARG A 55 4.629 -4.881 3.665 1.00 0.00 H new ATOM 0 HA ARG A 55 2.996 -5.874 6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.925 -3.523 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.749 -3.550 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.677 -5.804 7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.911 -5.660 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.826 -3.635 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 55 5.463 -3.502 8.545 1.00 0.00 H new ATOM 0 HE ARG A 55 6.886 -6.093 8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.311 -2.705 9.305 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.922 -2.854 10.955 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.383 -6.347 11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.964 -4.954 11.952 1.00 0.00 H new ATOM 843 N ARG A 56 2.518 -2.961 4.835 1.00 0.00 N ATOM 844 CA ARG A 56 1.496 -2.021 4.317 1.00 0.00 C ATOM 845 C ARG A 56 1.658 -1.958 2.817 1.00 0.00 C ATOM 846 O ARG A 56 1.620 -0.901 2.225 1.00 0.00 O ATOM 847 CB ARG A 56 1.757 -0.622 4.902 1.00 0.00 C ATOM 848 CG ARG A 56 1.835 -0.715 6.427 1.00 0.00 C ATOM 849 CD ARG A 56 2.168 0.669 6.996 1.00 0.00 C ATOM 850 NE ARG A 56 1.889 0.674 8.459 1.00 0.00 N ATOM 851 CZ ARG A 56 1.825 1.811 9.096 1.00 0.00 C ATOM 852 NH1 ARG A 56 2.573 2.803 8.694 1.00 0.00 N ATOM 853 NH2 ARG A 56 1.017 1.920 10.115 1.00 0.00 N ATOM 0 H ARG A 56 3.383 -2.527 5.157 1.00 0.00 H new ATOM 0 HA ARG A 56 0.493 -2.350 4.591 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.687 -0.217 4.503 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.960 0.061 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.887 -1.070 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.597 -1.436 6.722 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.215 0.909 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.573 1.434 6.497 1.00 0.00 H new ATOM 0 HE ARG A 56 1.749 -0.204 8.959 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.194 2.682 7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.536 3.699 9.180 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.448 1.124 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.955 2.802 10.624 1.00 0.00 H new ATOM 867 N LYS A 57 1.858 -3.121 2.244 1.00 0.00 N ATOM 868 CA LYS A 57 2.040 -3.226 0.771 1.00 0.00 C ATOM 869 C LYS A 57 3.347 -2.579 0.369 1.00 0.00 C ATOM 870 O LYS A 57 3.394 -1.767 -0.531 1.00 0.00 O ATOM 871 CB LYS A 57 0.870 -2.528 0.034 1.00 0.00 C ATOM 872 CG LYS A 57 -0.467 -2.968 0.650 1.00 0.00 C ATOM 873 CD LYS A 57 -0.503 -4.504 0.752 1.00 0.00 C ATOM 874 CE LYS A 57 -1.948 -4.970 0.911 1.00 0.00 C ATOM 875 NZ LYS A 57 -2.702 -4.767 -0.357 1.00 0.00 N ATOM 0 H LYS A 57 1.902 -4.009 2.744 1.00 0.00 H new ATOM 0 HA LYS A 57 2.055 -4.280 0.495 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.976 -1.446 0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.893 -2.780 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.588 -2.524 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.296 -2.614 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.062 -4.949 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.093 -4.837 1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.968 -6.024 1.189 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.428 -4.418 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.402 -5.528 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.190 -3.849 -0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.041 -4.782 -1.160 1.00 0.00 H new ATOM 889 N SER A 58 4.398 -2.953 1.058 1.00 0.00 N ATOM 890 CA SER A 58 5.727 -2.377 0.741 1.00 0.00 C ATOM 891 C SER A 58 5.626 -0.865 0.574 1.00 0.00 C ATOM 892 O SER A 58 5.020 -0.191 1.383 1.00 0.00 O ATOM 893 CB SER A 58 6.218 -3.002 -0.576 1.00 0.00 C ATOM 894 OG SER A 58 6.008 -4.394 -0.399 1.00 0.00 O ATOM 0 H SER A 58 4.386 -3.629 1.821 1.00 0.00 H new ATOM 0 HA SER A 58 6.422 -2.590 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.660 -2.620 -1.431 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.269 -2.777 -0.756 1.00 0.00 H new ATOM 0 HG SER A 58 6.297 -4.873 -1.204 1.00 0.00 H new ATOM 900 N CYS A 59 6.217 -0.357 -0.469 1.00 0.00 N ATOM 901 CA CYS A 59 6.156 1.100 -0.688 1.00 0.00 C ATOM 902 C CYS A 59 4.728 1.588 -0.610 1.00 0.00 C ATOM 903 O CYS A 59 3.836 1.012 -1.199 1.00 0.00 O ATOM 904 CB CYS A 59 6.697 1.407 -2.075 1.00 0.00 C ATOM 905 SG CYS A 59 6.715 3.138 -2.567 1.00 0.00 S ATOM 0 H CYS A 59 6.734 -0.888 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 59 6.747 1.599 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.716 1.025 -2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.105 0.852 -2.802 1.00 0.00 H new ATOM 910 N GLN A 60 4.536 2.643 0.121 1.00 0.00 N ATOM 911 CA GLN A 60 3.172 3.203 0.265 1.00 0.00 C ATOM 912 C GLN A 60 2.900 4.242 -0.806 1.00 0.00 C ATOM 913 O GLN A 60 1.768 4.575 -1.077 1.00 0.00 O ATOM 914 CB GLN A 60 3.089 3.870 1.651 1.00 0.00 C ATOM 915 CG GLN A 60 3.348 2.812 2.728 1.00 0.00 C ATOM 916 CD GLN A 60 3.319 3.474 4.108 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.305 3.496 4.776 1.00 0.00 O ATOM 918 NE2 GLN A 60 4.409 4.021 4.572 1.00 0.00 N ATOM 0 H GLN A 60 5.267 3.143 0.626 1.00 0.00 H new ATOM 0 HA GLN A 60 2.433 2.408 0.161 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.822 4.673 1.727 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.107 4.321 1.794 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.593 2.028 2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.314 2.336 2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 60 5.264 4.006 4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 60 4.406 4.464 5.491 1.00 0.00 H new ATOM 927 N ALA A 61 3.938 4.734 -1.416 1.00 0.00 N ATOM 928 CA ALA A 61 3.728 5.760 -2.479 1.00 0.00 C ATOM 929 C ALA A 61 3.496 5.126 -3.814 1.00 0.00 C ATOM 930 O ALA A 61 2.585 5.507 -4.523 1.00 0.00 O ATOM 931 CB ALA A 61 4.927 6.671 -2.511 1.00 0.00 C ATOM 0 H ALA A 61 4.908 4.478 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 61 2.834 6.339 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.789 7.427 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.040 7.158 -1.542 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.821 6.088 -2.730 1.00 0.00 H new ATOM 937 N CYS A 62 4.294 4.175 -4.165 1.00 0.00 N ATOM 938 CA CYS A 62 4.067 3.546 -5.466 1.00 0.00 C ATOM 939 C CYS A 62 2.800 2.748 -5.364 1.00 0.00 C ATOM 940 O CYS A 62 2.120 2.546 -6.334 1.00 0.00 O ATOM 941 CB CYS A 62 5.246 2.624 -5.806 1.00 0.00 C ATOM 942 SG CYS A 62 6.814 3.416 -6.245 1.00 0.00 S ATOM 0 H CYS A 62 5.076 3.815 -3.618 1.00 0.00 H new ATOM 0 HA CYS A 62 3.982 4.296 -6.252 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.424 1.973 -4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.946 1.984 -6.636 1.00 0.00 H new ATOM 947 N ARG A 63 2.494 2.300 -4.162 1.00 0.00 N ATOM 948 CA ARG A 63 1.261 1.518 -3.992 1.00 0.00 C ATOM 949 C ARG A 63 0.117 2.443 -4.287 1.00 0.00 C ATOM 950 O ARG A 63 -0.681 2.196 -5.155 1.00 0.00 O ATOM 951 CB ARG A 63 1.176 1.039 -2.522 1.00 0.00 C ATOM 952 CG ARG A 63 -0.232 0.477 -2.215 1.00 0.00 C ATOM 953 CD ARG A 63 -0.599 -0.626 -3.232 1.00 0.00 C ATOM 954 NE ARG A 63 -1.311 -0.008 -4.383 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.491 -0.703 -5.471 1.00 0.00 C ATOM 956 NH1 ARG A 63 -1.521 -2.002 -5.387 1.00 0.00 N ATOM 957 NH2 ARG A 63 -1.635 -0.076 -6.606 1.00 0.00 N ATOM 0 H ARG A 63 3.046 2.448 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 63 1.239 0.650 -4.651 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.928 0.271 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.397 1.868 -1.850 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.257 0.072 -1.203 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.969 1.279 -2.256 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.301 -1.135 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.230 -1.379 -2.759 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.655 0.950 -4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.405 -2.457 -4.482 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.661 -2.564 -6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.606 0.943 -6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.777 -0.605 -7.466 1.00 0.00 H new ATOM 971 N LEU A 64 0.059 3.503 -3.535 1.00 0.00 N ATOM 972 CA LEU A 64 -1.012 4.481 -3.738 1.00 0.00 C ATOM 973 C LEU A 64 -1.052 4.909 -5.178 1.00 0.00 C ATOM 974 O LEU A 64 -2.024 4.696 -5.874 1.00 0.00 O ATOM 975 CB LEU A 64 -0.671 5.724 -2.919 1.00 0.00 C ATOM 976 CG LEU A 64 -1.756 6.814 -3.103 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.142 6.249 -2.667 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.371 8.030 -2.213 1.00 0.00 C ATOM 0 H LEU A 64 0.716 3.725 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.965 4.039 -3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.589 5.460 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.299 6.114 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.819 7.120 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.905 7.017 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.391 5.383 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.101 5.952 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.120 8.814 -2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.325 7.717 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.398 8.412 -2.521 1.00 0.00 H new ATOM 990 N ARG A 65 0.033 5.520 -5.610 1.00 0.00 N ATOM 991 CA ARG A 65 0.095 5.981 -7.003 1.00 0.00 C ATOM 992 C ARG A 65 -0.330 4.882 -7.920 1.00 0.00 C ATOM 993 O ARG A 65 -1.058 5.112 -8.866 1.00 0.00 O ATOM 994 CB ARG A 65 1.548 6.384 -7.337 1.00 0.00 C ATOM 995 CG ARG A 65 1.585 7.104 -8.729 1.00 0.00 C ATOM 996 CD ARG A 65 2.840 6.681 -9.518 1.00 0.00 C ATOM 997 NE ARG A 65 2.530 5.433 -10.278 1.00 0.00 N ATOM 998 CZ ARG A 65 3.508 4.683 -10.707 1.00 0.00 C ATOM 999 NH1 ARG A 65 4.242 4.046 -9.836 1.00 0.00 N ATOM 1000 NH2 ARG A 65 3.719 4.594 -11.992 1.00 0.00 N ATOM 0 H ARG A 65 0.863 5.709 -5.048 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.570 6.835 -7.131 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.940 7.044 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.186 5.501 -7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.689 6.856 -9.298 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.584 8.185 -8.587 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.142 7.475 -10.202 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.675 6.512 -8.838 1.00 0.00 H new ATOM 0 HE ARG A 65 1.562 5.169 -10.460 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.047 4.139 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.011 3.455 -10.152 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.124 5.106 -12.643 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.479 4.012 -12.345 1.00 0.00 H new ATOM 1014 N LYS A 66 0.121 3.687 -7.648 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.286 2.605 -8.526 1.00 0.00 C ATOM 1016 C LYS A 66 -1.771 2.488 -8.422 1.00 0.00 C ATOM 1017 O LYS A 66 -2.444 2.390 -9.406 1.00 0.00 O ATOM 1018 CB LYS A 66 0.374 1.277 -8.081 1.00 0.00 C ATOM 1019 CG LYS A 66 1.835 1.223 -8.605 1.00 0.00 C ATOM 1020 CD LYS A 66 1.853 0.631 -10.021 1.00 0.00 C ATOM 1021 CE LYS A 66 3.284 0.674 -10.565 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.291 0.411 -12.032 1.00 0.00 N ATOM 0 H LYS A 66 0.736 3.437 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 66 0.021 2.808 -9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.363 1.200 -6.994 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.193 0.430 -8.466 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.266 2.224 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.449 0.617 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.488 -0.396 -10.004 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.186 1.195 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.728 1.649 -10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.897 -0.068 -10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.268 0.444 -12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.887 -0.529 -12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.723 1.135 -12.517 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.267 2.589 -7.204 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.712 2.485 -7.016 1.00 0.00 C ATOM 1038 C CYS A 67 -4.410 3.499 -7.878 1.00 0.00 C ATOM 1039 O CYS A 67 -5.371 3.195 -8.538 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.031 2.712 -5.529 1.00 0.00 C ATOM 1041 SG CYS A 67 -5.046 1.450 -4.752 1.00 0.00 S ATOM 0 H CYS A 67 -1.721 2.737 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.063 1.496 -7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.091 2.785 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.536 3.673 -5.427 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.075 2.008 -4.187 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.941 4.696 -7.851 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.607 5.695 -8.694 1.00 0.00 C ATOM 1049 C TYR A 68 -4.347 5.319 -10.136 1.00 0.00 C ATOM 1050 O TYR A 68 -5.139 5.604 -11.011 1.00 0.00 O ATOM 1051 CB TYR A 68 -4.007 7.098 -8.425 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.291 7.605 -6.973 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.543 7.453 -6.365 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.309 8.314 -6.287 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.789 7.999 -5.116 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.575 8.867 -5.049 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.803 8.711 -4.458 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.037 9.251 -3.225 1.00 0.00 O ATOM 0 H TYR A 68 -3.148 5.021 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.675 5.720 -8.478 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.930 7.066 -8.591 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.419 7.809 -9.141 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.323 6.906 -6.874 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.330 8.433 -6.727 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.756 7.868 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.806 9.429 -4.540 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.200 9.605 -2.859 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.225 4.677 -10.360 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.894 4.267 -11.738 1.00 0.00 C ATOM 1070 C GLU A 69 -3.819 3.163 -12.157 1.00 0.00 C ATOM 1071 O GLU A 69 -4.151 3.013 -13.316 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.436 3.770 -11.775 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.888 3.905 -13.200 1.00 0.00 C ATOM 1074 CD GLU A 69 -0.713 5.388 -13.535 1.00 0.00 C ATOM 1075 OE1 GLU A 69 -0.330 6.107 -12.627 1.00 0.00 O ATOM 1076 OE2 GLU A 69 -0.972 5.718 -14.681 1.00 0.00 O ATOM 0 H GLU A 69 -2.538 4.427 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.008 5.110 -12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.825 4.349 -11.082 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.386 2.730 -11.451 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.066 3.386 -13.286 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.570 3.438 -13.910 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.212 2.413 -11.197 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.133 1.290 -11.484 1.00 0.00 C ATOM 1085 C VAL A 70 -6.406 1.879 -11.987 1.00 0.00 C ATOM 1086 O VAL A 70 -7.237 1.217 -12.574 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.455 0.496 -10.171 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.523 -0.550 -10.460 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.213 -0.219 -9.643 1.00 0.00 C ATOM 0 H VAL A 70 -3.941 2.520 -10.220 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.677 0.615 -12.208 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.803 1.208 -9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.747 -1.103 -9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.427 -0.058 -10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.160 -1.240 -11.222 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.465 -0.762 -8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.850 -0.920 -10.394 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.436 0.514 -9.425 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.516 3.135 -11.753 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.716 3.857 -12.185 1.00 0.00 C ATOM 1101 C GLY A 71 -8.889 3.327 -11.397 1.00 0.00 C ATOM 1102 O GLY A 71 -9.945 3.077 -11.943 1.00 0.00 O ATOM 0 H GLY A 71 -5.816 3.702 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.597 4.928 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.881 3.718 -13.253 1.00 0.00 H new ATOM 1106 N MET A 72 -8.687 3.160 -10.102 1.00 0.00 N ATOM 1107 CA MET A 72 -9.816 2.634 -9.269 1.00 0.00 C ATOM 1108 C MET A 72 -10.675 3.750 -8.789 1.00 0.00 C ATOM 1109 O MET A 72 -11.833 3.879 -9.128 1.00 0.00 O ATOM 1110 CB MET A 72 -9.252 1.896 -7.979 1.00 0.00 C ATOM 1111 CG MET A 72 -9.596 0.440 -8.113 1.00 0.00 C ATOM 1112 SD MET A 72 -9.575 -0.634 -6.668 1.00 0.00 S ATOM 1113 CE MET A 72 -8.059 -0.035 -6.038 1.00 0.00 C ATOM 0 H MET A 72 -7.819 3.359 -9.605 1.00 0.00 H new ATOM 0 HA MET A 72 -10.389 1.947 -9.892 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.173 2.031 -7.900 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.693 2.314 -7.074 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.596 0.383 -8.543 1.00 0.00 H new ATOM 0 HG3 MET A 72 -8.910 0.012 -8.843 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.665 -0.740 -5.306 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.345 0.078 -6.854 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.220 0.932 -5.561 1.00 0.00 H new ATOM 1123 N MET A 73 -10.056 4.514 -7.991 1.00 0.00 N ATOM 1124 CA MET A 73 -10.705 5.677 -7.388 1.00 0.00 C ATOM 1125 C MET A 73 -11.809 5.191 -6.502 1.00 0.00 C ATOM 1126 O MET A 73 -12.679 4.463 -6.937 1.00 0.00 O ATOM 1127 CB MET A 73 -11.278 6.602 -8.470 1.00 0.00 C ATOM 1128 CG MET A 73 -10.227 6.824 -9.568 1.00 0.00 C ATOM 1129 SD MET A 73 -10.523 8.176 -10.735 1.00 0.00 S ATOM 1130 CE MET A 73 -9.534 7.520 -12.102 1.00 0.00 C ATOM 0 H MET A 73 -9.083 4.382 -7.714 1.00 0.00 H new ATOM 0 HA MET A 73 -9.974 6.244 -6.812 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.179 6.163 -8.898 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.567 7.557 -8.031 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.266 6.999 -9.085 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.134 5.900 -10.138 1.00 0.00 H new ATOM 0 HE1 MET A 73 -9.576 8.209 -12.945 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.499 7.404 -11.780 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.930 6.551 -12.405 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.745 5.587 -5.269 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.780 5.166 -4.294 1.00 0.00 C ATOM 1142 C LYS A 74 -14.166 5.042 -4.934 1.00 0.00 C ATOM 1143 O LYS A 74 -14.935 4.168 -4.603 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.861 6.212 -3.168 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.002 7.623 -3.763 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.113 8.638 -2.621 1.00 0.00 C ATOM 1147 CE LYS A 74 -12.904 10.047 -3.179 1.00 0.00 C ATOM 1148 NZ LYS A 74 -11.575 10.155 -3.840 1.00 0.00 N ATOM 0 H LYS A 74 -11.014 6.189 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.492 4.186 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.711 5.996 -2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.967 6.159 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.141 7.855 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.884 7.676 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -14.091 8.563 -2.146 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.369 8.423 -1.854 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.692 10.282 -3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.976 10.778 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.541 11.023 -4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.829 10.188 -3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.425 9.329 -4.454 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.450 5.933 -5.819 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.774 5.899 -6.503 1.00 0.00 C ATOM 1164 C GLY A 75 -16.907 5.901 -5.475 1.00 0.00 C ATOM 1165 O GLY A 75 -17.779 5.062 -5.628 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.837 6.742 -4.593 1.00 0.00 O ATOM 0 H GLY A 75 -13.829 6.689 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.872 6.761 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.844 5.009 -7.129 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.206 -5.615 -4.076 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.121 3.328 -4.360 1.00 0.00 ZN