USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 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 34 SER OG : rot 92:sc= 1.15! USER MOD Set 1.2: A 41 TYR OH : rot -148:sc= -1.6! USER MOD Set 2.1: A 18 HIS :FLIP no HD1:sc= -2.25 F(o=-5.2!,f=-3.3) USER MOD Set 2.2: A 23 SER OG : rot -163:sc= -1.08! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.263! (180deg=-0.843!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 121:sc= -0.63 USER MOD Single : A 11 ASN : amide:sc= -1.62! C(o=-1.6!,f=-6.1!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -140:sc= -0.322 USER MOD Single : A 17 TYR OH : rot -127:sc= 0.986 USER MOD Single : A 19 TYR OH : rot -56:sc= -2.99! USER MOD Single : A 28 LYS NZ :NH3+ -132:sc= -1.73 (180deg=-3.52!) USER MOD Single : A 32 LYS NZ :NH3+ 150:sc= -3.26! (180deg=-4.79!) USER MOD Single : A 36 GLN : amide:sc= -4.16! C(o=-4.2!,f=-4.7!) USER MOD Single : A 38 HIS : no HD1:sc= -0.683 K(o=-0.68,f=-2.8!) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.63! C(o=-7!,f=-1.6!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -59:sc= 0.0774 USER MOD Single : A 47 ASN : amide:sc= -0.118 K(o=-0.12,f=-2!) USER MOD Single : A 48 GLN : amide:sc= -0.0695 K(o=-0.069,f=-2!) 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 54 ASN : amide:sc= -0.337 K(o=-0.34,f=-1.4) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.203 USER MOD Single : A 60 GLN : amide:sc= -9.27! C(o=-9.3!,f=-14!) USER MOD Single : A 66 LYS NZ :NH3+ -157:sc= -0.155 (180deg=-0.977) USER MOD Single : A 67 CYS SG : rot 40:sc= -0.465 USER MOD Single : A 68 TYR OH : rot -63:sc= -1.54! USER MOD Single : A 72 MET CE :methyl -166:sc= -0.0976 (180deg=-0.574) USER MOD Single : A 73 MET CE :methyl -176:sc= -1.28 (180deg=-1.29) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.129 -16.478 -19.671 1.00 0.00 N ATOM 2 CA MET A 1 -12.141 -17.960 -19.727 1.00 0.00 C ATOM 3 C MET A 1 -10.804 -18.471 -20.243 1.00 0.00 C ATOM 4 O MET A 1 -10.753 -19.280 -21.148 1.00 0.00 O ATOM 5 CB MET A 1 -13.248 -18.438 -20.682 1.00 0.00 C ATOM 6 CG MET A 1 -13.162 -17.647 -21.990 1.00 0.00 C ATOM 7 SD MET A 1 -13.648 -15.902 -21.940 1.00 0.00 S ATOM 8 CE MET A 1 -15.407 -16.142 -22.301 1.00 0.00 C ATOM 0 H1 MET A 1 -12.070 -16.169 -18.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.307 -16.117 -20.196 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.002 -16.107 -20.098 1.00 0.00 H new ATOM 0 HA MET A 1 -12.323 -18.344 -18.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.138 -19.504 -20.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.226 -18.298 -20.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.134 -17.701 -22.350 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.785 -18.150 -22.730 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.910 -15.175 -22.319 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.517 -16.626 -23.272 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.854 -16.770 -21.530 1.00 0.00 H new ATOM 20 N LYS A 2 -9.741 -17.990 -19.657 1.00 0.00 N ATOM 21 CA LYS A 2 -8.401 -18.440 -20.104 1.00 0.00 C ATOM 22 C LYS A 2 -7.319 -17.965 -19.145 1.00 0.00 C ATOM 23 O LYS A 2 -6.291 -18.599 -19.007 1.00 0.00 O ATOM 24 CB LYS A 2 -8.128 -17.839 -21.493 1.00 0.00 C ATOM 25 CG LYS A 2 -6.835 -18.437 -22.056 1.00 0.00 C ATOM 26 CD LYS A 2 -6.534 -17.796 -23.416 1.00 0.00 C ATOM 27 CE LYS A 2 -5.085 -18.100 -23.806 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.824 -17.683 -25.213 1.00 0.00 N ATOM 0 H LYS A 2 -9.746 -17.311 -18.896 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.384 -19.529 -20.135 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.962 -18.049 -22.163 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.041 -16.755 -21.422 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.009 -18.262 -21.367 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.936 -19.517 -22.164 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.216 -18.183 -24.173 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.692 -16.719 -23.367 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.404 -17.578 -23.134 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.888 -19.166 -23.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.837 -17.896 -25.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.461 -18.200 -25.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.992 -16.661 -25.309 1.00 0.00 H new ATOM 42 N GLU A 3 -7.564 -16.852 -18.492 1.00 0.00 N ATOM 43 CA GLU A 3 -6.548 -16.319 -17.532 1.00 0.00 C ATOM 44 C GLU A 3 -7.223 -15.664 -16.328 1.00 0.00 C ATOM 45 O GLU A 3 -8.044 -14.780 -16.473 1.00 0.00 O ATOM 46 CB GLU A 3 -5.698 -15.254 -18.265 1.00 0.00 C ATOM 47 CG GLU A 3 -4.657 -15.951 -19.149 1.00 0.00 C ATOM 48 CD GLU A 3 -3.605 -16.627 -18.263 1.00 0.00 C ATOM 49 OE1 GLU A 3 -3.649 -16.363 -17.072 1.00 0.00 O ATOM 50 OE2 GLU A 3 -2.818 -17.368 -18.828 1.00 0.00 O ATOM 0 H GLU A 3 -8.415 -16.296 -18.582 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.929 -17.143 -17.177 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.340 -14.617 -18.874 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.202 -14.608 -17.541 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.142 -16.691 -19.786 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.181 -15.226 -19.809 1.00 0.00 H new ATOM 57 N THR A 4 -6.857 -16.115 -15.160 1.00 0.00 N ATOM 58 CA THR A 4 -7.453 -15.545 -13.928 1.00 0.00 C ATOM 59 C THR A 4 -7.000 -14.102 -13.744 1.00 0.00 C ATOM 60 O THR A 4 -5.940 -13.731 -14.190 1.00 0.00 O ATOM 61 CB THR A 4 -6.948 -16.379 -12.736 1.00 0.00 C ATOM 62 OG1 THR A 4 -7.659 -17.596 -12.807 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.374 -15.764 -11.392 1.00 0.00 C ATOM 0 H THR A 4 -6.170 -16.854 -15.009 1.00 0.00 H new ATOM 0 HA THR A 4 -8.541 -15.567 -13.996 1.00 0.00 H new ATOM 0 HB THR A 4 -5.862 -16.456 -12.784 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.382 -18.180 -12.071 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.999 -16.380 -10.575 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.963 -14.758 -11.306 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.462 -15.717 -11.342 1.00 0.00 H new ATOM 71 N ARG A 5 -7.821 -13.300 -13.110 1.00 0.00 N ATOM 72 CA ARG A 5 -7.433 -11.870 -12.893 1.00 0.00 C ATOM 73 C ARG A 5 -6.749 -11.739 -11.546 1.00 0.00 C ATOM 74 O ARG A 5 -6.776 -12.649 -10.745 1.00 0.00 O ATOM 75 CB ARG A 5 -8.707 -10.967 -12.925 1.00 0.00 C ATOM 76 CG ARG A 5 -9.798 -11.618 -13.791 1.00 0.00 C ATOM 77 CD ARG A 5 -9.289 -11.763 -15.228 1.00 0.00 C ATOM 78 NE ARG A 5 -10.378 -12.332 -16.074 1.00 0.00 N ATOM 79 CZ ARG A 5 -11.509 -11.689 -16.182 1.00 0.00 C ATOM 80 NH1 ARG A 5 -12.441 -11.897 -15.294 1.00 0.00 N ATOM 81 NH2 ARG A 5 -11.670 -10.859 -17.178 1.00 0.00 N ATOM 0 H ARG A 5 -8.732 -13.568 -12.737 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.752 -11.553 -13.683 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.079 -10.815 -11.912 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.455 -9.984 -13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.063 -12.595 -13.387 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.702 -11.010 -13.774 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -8.978 -10.793 -15.617 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -8.414 -12.412 -15.254 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.240 -13.216 -16.564 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.280 -12.554 -14.530 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.331 -11.403 -15.363 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.919 -10.722 -17.855 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.547 -10.348 -17.279 1.00 0.00 H new ATOM 95 N TYR A 6 -6.155 -10.614 -11.310 1.00 0.00 N ATOM 96 CA TYR A 6 -5.460 -10.414 -10.010 1.00 0.00 C ATOM 97 C TYR A 6 -5.466 -8.952 -9.617 1.00 0.00 C ATOM 98 O TYR A 6 -6.042 -8.126 -10.298 1.00 0.00 O ATOM 99 CB TYR A 6 -4.003 -10.882 -10.180 1.00 0.00 C ATOM 100 CG TYR A 6 -3.978 -12.143 -11.045 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.225 -13.378 -10.487 1.00 0.00 C ATOM 102 CD2 TYR A 6 -3.686 -12.066 -12.392 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.173 -14.513 -11.252 1.00 0.00 C ATOM 104 CE2 TYR A 6 -3.630 -13.207 -13.161 1.00 0.00 C ATOM 105 CZ TYR A 6 -3.873 -14.441 -12.598 1.00 0.00 C ATOM 106 OH TYR A 6 -3.817 -15.585 -13.367 1.00 0.00 O ATOM 0 H TYR A 6 -6.117 -9.824 -11.954 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.971 -10.981 -9.231 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.408 -10.096 -10.645 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.558 -11.086 -9.206 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.462 -13.452 -9.436 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.500 -11.104 -12.846 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.368 -15.473 -10.798 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.394 -13.134 -14.212 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.462 -15.517 -14.102 1.00 0.00 H new ATOM 116 N CYS A 7 -4.826 -8.652 -8.528 1.00 0.00 N ATOM 117 CA CYS A 7 -4.793 -7.254 -8.093 1.00 0.00 C ATOM 118 C CYS A 7 -4.214 -6.349 -9.158 1.00 0.00 C ATOM 119 O CYS A 7 -3.159 -6.611 -9.699 1.00 0.00 O ATOM 120 CB CYS A 7 -3.951 -7.127 -6.829 1.00 0.00 C ATOM 121 SG CYS A 7 -4.069 -5.556 -5.964 1.00 0.00 S ATOM 0 H CYS A 7 -4.331 -9.315 -7.931 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.821 -6.947 -7.900 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.240 -7.921 -6.141 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.907 -7.298 -7.092 1.00 0.00 H new ATOM 126 N ALA A 8 -4.923 -5.295 -9.440 1.00 0.00 N ATOM 127 CA ALA A 8 -4.447 -4.344 -10.466 1.00 0.00 C ATOM 128 C ALA A 8 -3.329 -3.479 -9.902 1.00 0.00 C ATOM 129 O ALA A 8 -2.662 -2.768 -10.626 1.00 0.00 O ATOM 130 CB ALA A 8 -5.624 -3.432 -10.852 1.00 0.00 C ATOM 0 H ALA A 8 -5.812 -5.055 -9.001 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.073 -4.893 -11.330 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.299 -2.719 -11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.438 -4.038 -11.250 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.970 -2.892 -9.971 1.00 0.00 H new ATOM 136 N VAL A 9 -3.145 -3.559 -8.603 1.00 0.00 N ATOM 137 CA VAL A 9 -2.076 -2.750 -7.949 1.00 0.00 C ATOM 138 C VAL A 9 -0.828 -3.558 -7.702 1.00 0.00 C ATOM 139 O VAL A 9 0.184 -3.367 -8.346 1.00 0.00 O ATOM 140 CB VAL A 9 -2.594 -2.291 -6.570 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.486 -1.512 -5.826 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.794 -1.382 -6.762 1.00 0.00 C ATOM 0 H VAL A 9 -3.689 -4.149 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.837 -1.917 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.878 -3.166 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.858 -1.191 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.618 -2.157 -5.688 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.200 -0.638 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.163 -1.056 -5.789 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.501 -0.512 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.581 -1.925 -7.285 1.00 0.00 H new ATOM 152 N CYS A 10 -0.924 -4.462 -6.760 1.00 0.00 N ATOM 153 CA CYS A 10 0.257 -5.311 -6.427 1.00 0.00 C ATOM 154 C CYS A 10 0.335 -6.602 -7.271 1.00 0.00 C ATOM 155 O CYS A 10 0.877 -6.562 -8.352 1.00 0.00 O ATOM 156 CB CYS A 10 0.227 -5.591 -4.892 1.00 0.00 C ATOM 157 SG CYS A 10 -1.011 -6.738 -4.219 1.00 0.00 S ATOM 0 H CYS A 10 -1.764 -4.647 -6.211 1.00 0.00 H new ATOM 0 HA CYS A 10 1.170 -4.775 -6.684 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.210 -5.968 -4.609 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.095 -4.634 -4.387 1.00 0.00 H new ATOM 162 N ASN A 11 -0.199 -7.712 -6.803 1.00 0.00 N ATOM 163 CA ASN A 11 -0.108 -8.955 -7.635 1.00 0.00 C ATOM 164 C ASN A 11 -0.587 -10.184 -6.863 1.00 0.00 C ATOM 165 O ASN A 11 0.202 -10.899 -6.278 1.00 0.00 O ATOM 166 CB ASN A 11 1.382 -9.180 -8.040 1.00 0.00 C ATOM 167 CG ASN A 11 2.295 -8.667 -6.923 1.00 0.00 C ATOM 168 OD1 ASN A 11 2.868 -7.600 -7.015 1.00 0.00 O ATOM 169 ND2 ASN A 11 2.457 -9.398 -5.854 1.00 0.00 N ATOM 0 H ASN A 11 -0.679 -7.808 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.743 -8.825 -8.511 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.566 -10.240 -8.218 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.600 -8.658 -8.972 1.00 0.00 H new ATOM 0 HD21 ASN A 11 3.063 -9.072 -5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.978 -10.295 -5.772 1.00 0.00 H new ATOM 176 N ASP A 12 -1.861 -10.403 -6.877 1.00 0.00 N ATOM 177 CA ASP A 12 -2.407 -11.577 -6.155 1.00 0.00 C ATOM 178 C ASP A 12 -3.871 -11.773 -6.525 1.00 0.00 C ATOM 179 O ASP A 12 -4.501 -10.880 -7.051 1.00 0.00 O ATOM 180 CB ASP A 12 -2.277 -11.320 -4.616 1.00 0.00 C ATOM 181 CG ASP A 12 -1.703 -12.564 -3.920 1.00 0.00 C ATOM 182 OD1 ASP A 12 -1.986 -13.641 -4.416 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.013 -12.363 -2.934 1.00 0.00 O ATOM 0 H ASP A 12 -2.550 -9.823 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.853 -12.475 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.630 -10.462 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.253 -11.077 -4.196 1.00 0.00 H new ATOM 188 N TYR A 13 -4.391 -12.930 -6.247 1.00 0.00 N ATOM 189 CA TYR A 13 -5.807 -13.159 -6.590 1.00 0.00 C ATOM 190 C TYR A 13 -6.670 -12.156 -5.851 1.00 0.00 C ATOM 191 O TYR A 13 -6.740 -12.165 -4.638 1.00 0.00 O ATOM 192 CB TYR A 13 -6.225 -14.567 -6.149 1.00 0.00 C ATOM 193 CG TYR A 13 -5.396 -15.639 -6.879 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.687 -15.998 -8.187 1.00 0.00 C ATOM 195 CD2 TYR A 13 -4.397 -16.319 -6.211 1.00 0.00 C ATOM 196 CE1 TYR A 13 -5.001 -17.024 -8.802 1.00 0.00 C ATOM 197 CE2 TYR A 13 -3.708 -17.342 -6.831 1.00 0.00 C ATOM 198 CZ TYR A 13 -4.005 -17.701 -8.131 1.00 0.00 C ATOM 199 OH TYR A 13 -3.314 -18.724 -8.750 1.00 0.00 O ATOM 0 H TYR A 13 -3.905 -13.711 -5.806 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.933 -13.051 -7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.092 -14.670 -5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.285 -14.718 -6.355 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.458 -15.469 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.153 -16.048 -5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.246 -17.299 -9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.930 -17.866 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.647 -19.089 -8.132 1.00 0.00 H new ATOM 209 N ALA A 14 -7.308 -11.310 -6.587 1.00 0.00 N ATOM 210 CA ALA A 14 -8.170 -10.297 -5.945 1.00 0.00 C ATOM 211 C ALA A 14 -9.348 -10.952 -5.237 1.00 0.00 C ATOM 212 O ALA A 14 -9.922 -11.904 -5.727 1.00 0.00 O ATOM 213 CB ALA A 14 -8.691 -9.361 -7.038 1.00 0.00 C ATOM 0 H ALA A 14 -7.272 -11.274 -7.606 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.593 -9.748 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.332 -8.601 -6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.850 -8.879 -7.536 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.263 -9.935 -7.767 1.00 0.00 H new ATOM 219 N SER A 15 -9.687 -10.427 -4.092 1.00 0.00 N ATOM 220 CA SER A 15 -10.822 -11.000 -3.332 1.00 0.00 C ATOM 221 C SER A 15 -12.132 -10.818 -4.088 1.00 0.00 C ATOM 222 O SER A 15 -13.120 -11.453 -3.778 1.00 0.00 O ATOM 223 CB SER A 15 -10.922 -10.267 -1.985 1.00 0.00 C ATOM 224 OG SER A 15 -9.573 -10.140 -1.559 1.00 0.00 O ATOM 0 H SER A 15 -9.226 -9.629 -3.655 1.00 0.00 H new ATOM 0 HA SER A 15 -10.650 -12.067 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.399 -9.293 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.515 -10.832 -1.267 1.00 0.00 H new ATOM 0 HG SER A 15 -9.519 -10.299 -0.593 1.00 0.00 H new ATOM 230 N GLY A 16 -12.120 -9.948 -5.069 1.00 0.00 N ATOM 231 CA GLY A 16 -13.371 -9.709 -5.863 1.00 0.00 C ATOM 232 C GLY A 16 -13.468 -8.243 -6.286 1.00 0.00 C ATOM 233 O GLY A 16 -12.803 -7.388 -5.736 1.00 0.00 O ATOM 0 H GLY A 16 -11.310 -9.398 -5.354 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.376 -10.349 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.243 -9.980 -5.268 1.00 0.00 H new ATOM 237 N TYR A 17 -14.298 -7.984 -7.261 1.00 0.00 N ATOM 238 CA TYR A 17 -14.454 -6.585 -7.734 1.00 0.00 C ATOM 239 C TYR A 17 -14.869 -5.677 -6.573 1.00 0.00 C ATOM 240 O TYR A 17 -15.547 -6.105 -5.661 1.00 0.00 O ATOM 241 CB TYR A 17 -15.553 -6.571 -8.857 1.00 0.00 C ATOM 242 CG TYR A 17 -15.016 -5.880 -10.132 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.814 -6.273 -10.699 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.730 -4.859 -10.727 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.342 -5.654 -11.838 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.256 -4.243 -11.867 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.059 -4.634 -12.431 1.00 0.00 C ATOM 248 OH TYR A 17 -13.586 -4.017 -13.570 1.00 0.00 O ATOM 0 H TYR A 17 -14.869 -8.677 -7.745 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.509 -6.213 -8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.856 -7.592 -9.090 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.440 -6.048 -8.499 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.243 -7.070 -10.246 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.668 -4.540 -10.296 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.404 -5.970 -12.269 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.827 -3.447 -12.322 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.568 -3.047 -13.433 1.00 0.00 H new ATOM 258 N HIS A 18 -14.453 -4.429 -6.633 1.00 0.00 N ATOM 259 CA HIS A 18 -14.813 -3.472 -5.538 1.00 0.00 C ATOM 260 C HIS A 18 -15.140 -2.086 -6.089 1.00 0.00 C ATOM 261 O HIS A 18 -16.293 -1.723 -6.222 1.00 0.00 O ATOM 262 CB HIS A 18 -13.598 -3.340 -4.599 1.00 0.00 C ATOM 263 CG HIS A 18 -13.278 -4.700 -3.978 1.00 0.00 C ATOM 264 ND1 HIS A 18 -14.132 -5.656 -3.459 1.00 0.00 N flip ATOM 265 CD2 HIS A 18 -12.127 -5.173 -3.846 1.00 0.00 C flip ATOM 266 CE1 HIS A 18 -13.399 -6.715 -3.019 1.00 0.00 C flip ATOM 267 NE2 HIS A 18 -12.157 -6.321 -3.305 1.00 0.00 N flip ATOM 0 H HIS A 18 -13.886 -4.038 -7.385 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.691 -3.854 -5.018 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.736 -2.971 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.809 -2.612 -3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.223 -4.669 -4.153 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.735 -7.633 -2.559 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.326 -6.879 -3.111 1.00 0.00 H new ATOM 275 N TYR A 19 -14.114 -1.336 -6.402 1.00 0.00 N ATOM 276 CA TYR A 19 -14.333 0.037 -6.945 1.00 0.00 C ATOM 277 C TYR A 19 -14.483 -0.005 -8.468 1.00 0.00 C ATOM 278 O TYR A 19 -14.841 0.979 -9.083 1.00 0.00 O ATOM 279 CB TYR A 19 -13.073 0.885 -6.604 1.00 0.00 C ATOM 280 CG TYR A 19 -12.933 1.170 -5.064 1.00 0.00 C ATOM 281 CD1 TYR A 19 -14.035 1.131 -4.194 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.654 1.374 -4.494 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.865 1.268 -2.841 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.527 1.503 -3.128 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.624 1.452 -2.301 1.00 0.00 C ATOM 286 OH TYR A 19 -12.476 1.593 -0.938 1.00 0.00 O ATOM 0 H TYR A 19 -13.138 -1.615 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 19 -15.238 0.461 -6.511 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -12.183 0.363 -6.955 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.121 1.832 -7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.028 0.991 -4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.781 1.428 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.727 1.230 -2.191 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.547 1.647 -2.699 1.00 0.00 H new ATOM 0 HH TYR A 19 -13.033 2.336 -0.624 1.00 0.00 H new ATOM 296 N GLY A 20 -14.206 -1.149 -9.052 1.00 0.00 N ATOM 297 CA GLY A 20 -14.329 -1.275 -10.549 1.00 0.00 C ATOM 298 C GLY A 20 -13.163 -2.092 -11.112 1.00 0.00 C ATOM 299 O GLY A 20 -12.924 -2.099 -12.302 1.00 0.00 O ATOM 0 H GLY A 20 -13.903 -1.994 -8.567 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.274 -1.754 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.341 -0.285 -11.004 1.00 0.00 H new ATOM 303 N VAL A 21 -12.466 -2.767 -10.237 1.00 0.00 N ATOM 304 CA VAL A 21 -11.306 -3.597 -10.682 1.00 0.00 C ATOM 305 C VAL A 21 -11.154 -4.805 -9.795 1.00 0.00 C ATOM 306 O VAL A 21 -11.734 -4.880 -8.736 1.00 0.00 O ATOM 307 CB VAL A 21 -10.004 -2.761 -10.502 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.856 -1.685 -11.637 1.00 0.00 C ATOM 309 CG2 VAL A 21 -10.069 -2.081 -9.132 1.00 0.00 C ATOM 0 H VAL A 21 -12.649 -2.780 -9.234 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.472 -3.897 -11.717 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.136 -3.417 -10.565 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.938 -1.118 -11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.818 -2.182 -12.607 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.710 -1.008 -11.610 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.168 -1.487 -8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.944 -1.432 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.142 -2.839 -8.352 1.00 0.00 H new ATOM 319 N TRP A 22 -10.357 -5.717 -10.236 1.00 0.00 N ATOM 320 CA TRP A 22 -10.136 -6.943 -9.426 1.00 0.00 C ATOM 321 C TRP A 22 -9.016 -6.632 -8.454 1.00 0.00 C ATOM 322 O TRP A 22 -7.897 -6.995 -8.691 1.00 0.00 O ATOM 323 CB TRP A 22 -9.673 -8.095 -10.348 1.00 0.00 C ATOM 324 CG TRP A 22 -10.746 -8.404 -11.393 1.00 0.00 C ATOM 325 CD1 TRP A 22 -10.652 -8.066 -12.662 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.859 -9.050 -11.156 1.00 0.00 C ATOM 327 NE1 TRP A 22 -11.786 -8.542 -13.206 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.613 -9.186 -12.307 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.325 -9.569 -9.965 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -13.826 -9.840 -12.266 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.541 -10.223 -9.926 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.290 -10.358 -11.077 1.00 0.00 C ATOM 0 H TRP A 22 -9.847 -5.675 -11.118 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.051 -7.237 -8.912 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -8.742 -7.821 -10.844 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.468 -8.985 -9.754 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.851 -7.531 -13.152 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.015 -8.437 -14.194 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.739 -9.464 -9.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.413 -9.946 -13.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.906 -10.629 -8.994 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.240 -10.870 -11.046 1.00 0.00 H new ATOM 343 N SER A 23 -9.338 -5.938 -7.368 1.00 0.00 N ATOM 344 CA SER A 23 -8.270 -5.583 -6.359 1.00 0.00 C ATOM 345 C SER A 23 -8.311 -6.448 -5.118 1.00 0.00 C ATOM 346 O SER A 23 -9.328 -7.011 -4.764 1.00 0.00 O ATOM 347 CB SER A 23 -8.463 -4.095 -5.938 1.00 0.00 C ATOM 348 OG SER A 23 -9.740 -3.753 -6.439 1.00 0.00 O ATOM 0 H SER A 23 -10.277 -5.609 -7.143 1.00 0.00 H new ATOM 0 HA SER A 23 -7.304 -5.750 -6.835 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.416 -3.979 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.686 -3.458 -6.361 1.00 0.00 H new ATOM 0 HG SER A 23 -9.832 -2.778 -6.461 1.00 0.00 H new ATOM 354 N CYS A 24 -7.178 -6.517 -4.476 1.00 0.00 N ATOM 355 CA CYS A 24 -7.073 -7.332 -3.233 1.00 0.00 C ATOM 356 C CYS A 24 -7.491 -6.497 -2.020 1.00 0.00 C ATOM 357 O CYS A 24 -7.250 -5.306 -1.973 1.00 0.00 O ATOM 358 CB CYS A 24 -5.607 -7.789 -3.062 1.00 0.00 C ATOM 359 SG CYS A 24 -4.427 -6.611 -2.349 1.00 0.00 S ATOM 0 H CYS A 24 -6.320 -6.044 -4.758 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.731 -8.198 -3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.606 -8.682 -2.437 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.233 -8.085 -4.042 1.00 0.00 H new ATOM 364 N GLU A 25 -8.106 -7.137 -1.065 1.00 0.00 N ATOM 365 CA GLU A 25 -8.553 -6.402 0.156 1.00 0.00 C ATOM 366 C GLU A 25 -7.434 -5.550 0.758 1.00 0.00 C ATOM 367 O GLU A 25 -7.678 -4.468 1.256 1.00 0.00 O ATOM 368 CB GLU A 25 -8.999 -7.437 1.207 1.00 0.00 C ATOM 369 CG GLU A 25 -10.340 -8.042 0.781 1.00 0.00 C ATOM 370 CD GLU A 25 -11.466 -7.038 1.053 1.00 0.00 C ATOM 371 OE1 GLU A 25 -11.128 -5.940 1.465 1.00 0.00 O ATOM 372 OE2 GLU A 25 -12.601 -7.427 0.833 1.00 0.00 O ATOM 0 H GLU A 25 -8.319 -8.134 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.367 -5.735 -0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.248 -8.221 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.094 -6.963 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.315 -8.298 -0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.524 -8.967 1.328 1.00 0.00 H new ATOM 379 N GLY A 26 -6.236 -6.046 0.703 1.00 0.00 N ATOM 380 CA GLY A 26 -5.097 -5.269 1.274 1.00 0.00 C ATOM 381 C GLY A 26 -4.934 -3.913 0.582 1.00 0.00 C ATOM 382 O GLY A 26 -4.836 -2.895 1.237 1.00 0.00 O ATOM 0 H GLY A 26 -5.992 -6.947 0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.259 -5.116 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.176 -5.843 1.171 1.00 0.00 H new ATOM 386 N CYS A 27 -4.907 -3.917 -0.722 1.00 0.00 N ATOM 387 CA CYS A 27 -4.749 -2.626 -1.434 1.00 0.00 C ATOM 388 C CYS A 27 -5.967 -1.748 -1.251 1.00 0.00 C ATOM 389 O CYS A 27 -5.840 -0.566 -1.106 1.00 0.00 O ATOM 390 CB CYS A 27 -4.498 -2.909 -2.917 1.00 0.00 C ATOM 391 SG CYS A 27 -2.828 -3.461 -3.349 1.00 0.00 S ATOM 0 H CYS A 27 -4.986 -4.744 -1.314 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.899 -2.086 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.207 -3.669 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.717 -2.003 -3.481 1.00 0.00 H new ATOM 396 N LYS A 28 -7.125 -2.323 -1.267 1.00 0.00 N ATOM 397 CA LYS A 28 -8.334 -1.483 -1.084 1.00 0.00 C ATOM 398 C LYS A 28 -8.244 -0.810 0.276 1.00 0.00 C ATOM 399 O LYS A 28 -8.530 0.358 0.418 1.00 0.00 O ATOM 400 CB LYS A 28 -9.574 -2.403 -1.124 1.00 0.00 C ATOM 401 CG LYS A 28 -10.858 -1.556 -1.062 1.00 0.00 C ATOM 402 CD LYS A 28 -12.041 -2.465 -0.686 1.00 0.00 C ATOM 403 CE LYS A 28 -13.304 -1.616 -0.496 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.902 -1.265 -1.814 1.00 0.00 N ATOM 0 H LYS A 28 -7.291 -3.321 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.409 -0.728 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.565 -3.000 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.547 -3.100 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.748 -0.759 -0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.041 -1.079 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.204 -3.208 -1.467 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.816 -3.010 0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.030 -2.164 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.058 -0.706 0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.115 -0.247 -1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.229 -1.496 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.779 -1.806 -1.952 1.00 0.00 H new ATOM 418 N ALA A 29 -7.830 -1.569 1.254 1.00 0.00 N ATOM 419 CA ALA A 29 -7.705 -1.006 2.619 1.00 0.00 C ATOM 420 C ALA A 29 -6.696 0.135 2.613 1.00 0.00 C ATOM 421 O ALA A 29 -7.013 1.261 2.942 1.00 0.00 O ATOM 422 CB ALA A 29 -7.201 -2.126 3.556 1.00 0.00 C ATOM 0 H ALA A 29 -7.574 -2.552 1.162 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.669 -0.627 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.101 -1.735 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.914 -2.950 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.232 -2.483 3.207 1.00 0.00 H new ATOM 428 N PHE A 30 -5.497 -0.190 2.238 1.00 0.00 N ATOM 429 CA PHE A 30 -4.422 0.833 2.187 1.00 0.00 C ATOM 430 C PHE A 30 -4.841 1.976 1.306 1.00 0.00 C ATOM 431 O PHE A 30 -4.685 3.133 1.646 1.00 0.00 O ATOM 432 CB PHE A 30 -3.186 0.151 1.552 1.00 0.00 C ATOM 433 CG PHE A 30 -2.108 1.189 1.163 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.258 1.975 0.013 1.00 0.00 C ATOM 435 CD2 PHE A 30 -0.965 1.351 1.941 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.288 2.898 -0.337 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.005 2.275 1.580 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.170 3.047 0.450 1.00 0.00 C ATOM 0 H PHE A 30 -5.211 -1.129 1.962 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.210 1.216 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.764 -0.568 2.254 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.491 -0.408 0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.137 1.860 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.829 0.752 2.829 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.409 3.500 -1.226 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.881 2.394 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.583 3.773 0.181 1.00 0.00 H new ATOM 448 N PHE A 31 -5.363 1.622 0.191 1.00 0.00 N ATOM 449 CA PHE A 31 -5.812 2.643 -0.763 1.00 0.00 C ATOM 450 C PHE A 31 -6.928 3.506 -0.169 1.00 0.00 C ATOM 451 O PHE A 31 -6.985 4.686 -0.421 1.00 0.00 O ATOM 452 CB PHE A 31 -6.329 1.908 -2.016 1.00 0.00 C ATOM 453 CG PHE A 31 -6.829 2.921 -3.038 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.999 3.895 -3.497 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.134 2.892 -3.467 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.448 4.842 -4.357 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.620 3.840 -4.329 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.766 4.831 -4.789 1.00 0.00 C ATOM 0 H PHE A 31 -5.501 0.657 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.984 3.308 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.532 1.304 -2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.134 1.226 -1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.969 3.915 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.789 2.107 -3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.775 5.610 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.652 3.816 -4.645 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.123 5.585 -5.475 1.00 0.00 H new ATOM 468 N LYS A 32 -7.775 2.902 0.635 1.00 0.00 N ATOM 469 CA LYS A 32 -8.896 3.681 1.255 1.00 0.00 C ATOM 470 C LYS A 32 -8.356 4.721 2.223 1.00 0.00 C ATOM 471 O LYS A 32 -8.838 5.834 2.280 1.00 0.00 O ATOM 472 CB LYS A 32 -9.818 2.686 2.038 1.00 0.00 C ATOM 473 CG LYS A 32 -10.958 2.189 1.128 1.00 0.00 C ATOM 474 CD LYS A 32 -12.030 1.506 1.990 1.00 0.00 C ATOM 475 CE LYS A 32 -11.437 0.262 2.665 1.00 0.00 C ATOM 476 NZ LYS A 32 -10.679 0.644 3.891 1.00 0.00 N ATOM 0 H LYS A 32 -7.739 1.914 0.886 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.454 4.192 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.232 1.839 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.233 3.179 2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.393 3.025 0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.570 1.490 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.399 2.200 2.745 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -12.882 1.224 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.235 -0.433 2.926 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.777 -0.257 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.721 -0.133 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.687 0.832 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.099 1.500 4.306 1.00 0.00 H new ATOM 490 N ARG A 33 -7.369 4.338 2.960 1.00 0.00 N ATOM 491 CA ARG A 33 -6.775 5.283 3.938 1.00 0.00 C ATOM 492 C ARG A 33 -5.808 6.230 3.247 1.00 0.00 C ATOM 493 O ARG A 33 -5.409 7.235 3.803 1.00 0.00 O ATOM 494 CB ARG A 33 -5.991 4.436 4.955 1.00 0.00 C ATOM 495 CG ARG A 33 -5.282 5.339 5.982 1.00 0.00 C ATOM 496 CD ARG A 33 -6.298 6.283 6.642 1.00 0.00 C ATOM 497 NE ARG A 33 -5.761 6.713 7.967 1.00 0.00 N ATOM 498 CZ ARG A 33 -6.581 7.171 8.875 1.00 0.00 C ATOM 499 NH1 ARG A 33 -7.247 8.266 8.630 1.00 0.00 N ATOM 500 NH2 ARG A 33 -6.706 6.519 9.999 1.00 0.00 N ATOM 0 H ARG A 33 -6.943 3.412 2.932 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.557 5.875 4.413 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.670 3.755 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.256 3.822 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.795 4.727 6.741 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.501 5.919 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.476 7.151 6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.256 5.779 6.768 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.762 6.650 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.123 8.750 7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -7.892 8.638 9.328 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.168 5.667 10.157 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.342 6.862 10.719 1.00 0.00 H new ATOM 514 N SER A 34 -5.466 5.900 2.030 1.00 0.00 N ATOM 515 CA SER A 34 -4.510 6.760 1.254 1.00 0.00 C ATOM 516 C SER A 34 -5.127 7.483 0.052 1.00 0.00 C ATOM 517 O SER A 34 -4.429 8.200 -0.631 1.00 0.00 O ATOM 518 CB SER A 34 -3.455 5.827 0.699 1.00 0.00 C ATOM 519 OG SER A 34 -2.881 5.217 1.846 1.00 0.00 O ATOM 0 H SER A 34 -5.804 5.074 1.536 1.00 0.00 H new ATOM 0 HA SER A 34 -4.143 7.529 1.934 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.893 5.085 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.707 6.372 0.123 1.00 0.00 H new ATOM 0 HG SER A 34 -3.353 4.381 2.043 1.00 0.00 H new ATOM 525 N ILE A 35 -6.393 7.289 -0.208 1.00 0.00 N ATOM 526 CA ILE A 35 -6.990 8.007 -1.401 1.00 0.00 C ATOM 527 C ILE A 35 -6.549 9.457 -1.478 1.00 0.00 C ATOM 528 O ILE A 35 -6.746 10.102 -2.487 1.00 0.00 O ATOM 529 CB ILE A 35 -8.543 7.980 -1.377 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.079 6.607 -0.949 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.046 8.291 -2.821 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.814 5.581 -2.058 1.00 0.00 C ATOM 0 H ILE A 35 -7.028 6.692 0.322 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.624 7.468 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.900 8.717 -0.657 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.597 6.290 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.148 6.670 -0.746 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.136 8.279 -2.837 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.689 9.275 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.665 7.537 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.196 4.607 -1.751 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.316 5.896 -2.973 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.742 5.510 -2.239 1.00 0.00 H new ATOM 544 N GLN A 36 -5.988 9.968 -0.432 1.00 0.00 N ATOM 545 CA GLN A 36 -5.556 11.369 -0.509 1.00 0.00 C ATOM 546 C GLN A 36 -4.351 11.462 -1.419 1.00 0.00 C ATOM 547 O GLN A 36 -3.520 10.575 -1.446 1.00 0.00 O ATOM 548 CB GLN A 36 -5.153 11.863 0.874 1.00 0.00 C ATOM 549 CG GLN A 36 -6.336 11.712 1.833 1.00 0.00 C ATOM 550 CD GLN A 36 -6.510 10.235 2.191 1.00 0.00 C ATOM 551 OE1 GLN A 36 -5.559 9.543 2.496 1.00 0.00 O ATOM 552 NE2 GLN A 36 -7.706 9.714 2.169 1.00 0.00 N ATOM 0 H GLN A 36 -5.814 9.488 0.451 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.376 11.977 -0.893 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.299 11.294 1.241 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.843 12.907 0.823 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.165 12.299 2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.245 12.096 1.371 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.508 10.290 1.914 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.839 8.731 2.407 1.00 0.00 H new ATOM 561 N GLY A 37 -4.272 12.521 -2.145 1.00 0.00 N ATOM 562 CA GLY A 37 -3.113 12.693 -3.074 1.00 0.00 C ATOM 563 C GLY A 37 -1.988 13.390 -2.327 1.00 0.00 C ATOM 564 O GLY A 37 -0.973 12.798 -2.014 1.00 0.00 O ATOM 0 H GLY A 37 -4.951 13.282 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.778 11.724 -3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.410 13.280 -3.943 1.00 0.00 H new ATOM 568 N HIS A 38 -2.202 14.646 -2.058 1.00 0.00 N ATOM 569 CA HIS A 38 -1.175 15.432 -1.328 1.00 0.00 C ATOM 570 C HIS A 38 -0.994 14.881 0.084 1.00 0.00 C ATOM 571 O HIS A 38 -1.772 15.167 0.971 1.00 0.00 O ATOM 572 CB HIS A 38 -1.653 16.890 -1.229 1.00 0.00 C ATOM 573 CG HIS A 38 -1.751 17.490 -2.633 1.00 0.00 C ATOM 574 ND1 HIS A 38 -2.115 16.870 -3.652 1.00 0.00 N ATOM 575 CD2 HIS A 38 -1.482 18.777 -3.062 1.00 0.00 C ATOM 576 CE1 HIS A 38 -2.108 17.614 -4.678 1.00 0.00 C ATOM 577 NE2 HIS A 38 -1.715 18.857 -4.400 1.00 0.00 N ATOM 0 H HIS A 38 -3.045 15.161 -2.313 1.00 0.00 H new ATOM 0 HA HIS A 38 -0.227 15.370 -1.862 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -2.624 16.933 -0.735 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.960 17.471 -0.621 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.142 19.588 -2.435 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.389 17.279 -5.666 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.615 19.657 -5.025 1.00 0.00 H new ATOM 585 N ASN A 39 0.031 14.106 0.257 1.00 0.00 N ATOM 586 CA ASN A 39 0.300 13.516 1.588 1.00 0.00 C ATOM 587 C ASN A 39 1.667 12.845 1.579 1.00 0.00 C ATOM 588 O ASN A 39 2.280 12.718 0.536 1.00 0.00 O ATOM 589 CB ASN A 39 -0.797 12.483 1.870 1.00 0.00 C ATOM 590 CG ASN A 39 -0.740 12.056 3.345 1.00 0.00 C ATOM 591 OD1 ASN A 39 0.231 11.286 3.752 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -1.585 12.423 4.139 1.00 0.00 N flip ATOM 0 H ASN A 39 0.699 13.854 -0.472 1.00 0.00 H new ATOM 0 HA ASN A 39 0.300 14.284 2.361 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.775 12.906 1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.666 11.614 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.348 13.025 3.830 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.531 12.129 5.114 1.00 0.00 H new ATOM 599 N ASP A 40 2.136 12.423 2.720 1.00 0.00 N ATOM 600 CA ASP A 40 3.470 11.764 2.738 1.00 0.00 C ATOM 601 C ASP A 40 3.425 10.428 2.033 1.00 0.00 C ATOM 602 O ASP A 40 2.894 9.459 2.538 1.00 0.00 O ATOM 603 CB ASP A 40 3.911 11.530 4.159 1.00 0.00 C ATOM 604 CG ASP A 40 3.809 12.834 4.951 1.00 0.00 C ATOM 605 OD1 ASP A 40 2.682 13.250 5.167 1.00 0.00 O ATOM 606 OD2 ASP A 40 4.863 13.341 5.296 1.00 0.00 O ATOM 0 H ASP A 40 1.666 12.503 3.622 1.00 0.00 H new ATOM 0 HA ASP A 40 4.170 12.423 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.290 10.763 4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.937 11.162 4.176 1.00 0.00 H new ATOM 611 N TYR A 41 3.991 10.415 0.887 1.00 0.00 N ATOM 612 CA TYR A 41 4.032 9.169 0.061 1.00 0.00 C ATOM 613 C TYR A 41 5.254 9.209 -0.825 1.00 0.00 C ATOM 614 O TYR A 41 5.262 9.887 -1.833 1.00 0.00 O ATOM 615 CB TYR A 41 2.777 9.120 -0.875 1.00 0.00 C ATOM 616 CG TYR A 41 1.538 8.627 -0.104 1.00 0.00 C ATOM 617 CD1 TYR A 41 0.920 9.431 0.812 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.053 7.359 -0.312 1.00 0.00 C ATOM 619 CE1 TYR A 41 -0.160 8.983 1.535 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.039 6.889 0.404 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.653 7.707 1.341 1.00 0.00 C ATOM 622 OH TYR A 41 -1.723 7.253 2.078 1.00 0.00 O ATOM 0 H TYR A 41 4.443 11.224 0.461 1.00 0.00 H new ATOM 0 HA TYR A 41 4.052 8.303 0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.585 10.111 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.973 8.458 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 41 1.286 10.435 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.527 6.720 -1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.627 9.633 2.260 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.410 5.889 0.232 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.638 6.287 2.217 1.00 0.00 H new ATOM 632 N MET A 42 6.273 8.493 -0.459 1.00 0.00 N ATOM 633 CA MET A 42 7.482 8.512 -1.306 1.00 0.00 C ATOM 634 C MET A 42 8.369 7.306 -1.046 1.00 0.00 C ATOM 635 O MET A 42 8.419 6.770 0.044 1.00 0.00 O ATOM 636 CB MET A 42 8.260 9.843 -1.033 1.00 0.00 C ATOM 637 CG MET A 42 9.323 9.657 0.066 1.00 0.00 C ATOM 638 SD MET A 42 8.792 8.916 1.631 1.00 0.00 S ATOM 639 CE MET A 42 10.438 8.701 2.354 1.00 0.00 C ATOM 0 H MET A 42 6.320 7.907 0.374 1.00 0.00 H new ATOM 0 HA MET A 42 7.184 8.462 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.739 10.181 -1.952 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.558 10.622 -0.735 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.124 9.041 -0.343 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.753 10.634 0.286 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.345 8.250 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.035 8.052 1.713 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.926 9.672 2.443 1.00 0.00 H new ATOM 649 N CYS A 43 9.042 6.911 -2.070 1.00 0.00 N ATOM 650 CA CYS A 43 9.952 5.750 -1.975 1.00 0.00 C ATOM 651 C CYS A 43 11.326 6.192 -1.397 1.00 0.00 C ATOM 652 O CYS A 43 11.671 7.354 -1.480 1.00 0.00 O ATOM 653 CB CYS A 43 10.146 5.227 -3.421 1.00 0.00 C ATOM 654 SG CYS A 43 8.740 5.388 -4.547 1.00 0.00 S ATOM 0 H CYS A 43 9.002 7.350 -2.990 1.00 0.00 H new ATOM 0 HA CYS A 43 9.540 4.983 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 43 10.994 5.752 -3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.418 4.173 -3.367 1.00 0.00 H new ATOM 659 N PRO A 44 12.083 5.259 -0.794 1.00 0.00 N ATOM 660 CA PRO A 44 13.394 5.607 -0.232 1.00 0.00 C ATOM 661 C PRO A 44 14.408 5.924 -1.359 1.00 0.00 C ATOM 662 O PRO A 44 15.583 5.635 -1.242 1.00 0.00 O ATOM 663 CB PRO A 44 13.842 4.329 0.554 1.00 0.00 C ATOM 664 CG PRO A 44 12.842 3.188 0.174 1.00 0.00 C ATOM 665 CD PRO A 44 11.664 3.851 -0.584 1.00 0.00 C ATOM 0 HA PRO A 44 13.344 6.492 0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.863 4.052 0.290 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.829 4.512 1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.330 2.440 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.486 2.674 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.475 3.350 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.742 3.796 -0.005 1.00 0.00 H new ATOM 673 N ALA A 45 13.928 6.525 -2.423 1.00 0.00 N ATOM 674 CA ALA A 45 14.810 6.864 -3.542 1.00 0.00 C ATOM 675 C ALA A 45 14.246 8.039 -4.204 1.00 0.00 C ATOM 676 O ALA A 45 14.475 9.152 -3.772 1.00 0.00 O ATOM 677 CB ALA A 45 14.851 5.679 -4.524 1.00 0.00 C ATOM 0 H ALA A 45 12.951 6.790 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 45 15.823 7.072 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.506 5.922 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.230 4.795 -4.012 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.846 5.480 -4.896 1.00 0.00 H new ATOM 683 N THR A 46 13.483 7.824 -5.224 1.00 0.00 N ATOM 684 CA THR A 46 12.918 8.978 -5.887 1.00 0.00 C ATOM 685 C THR A 46 11.843 8.577 -6.912 1.00 0.00 C ATOM 686 O THR A 46 11.823 9.071 -8.016 1.00 0.00 O ATOM 687 CB THR A 46 14.094 9.731 -6.568 1.00 0.00 C ATOM 688 OG1 THR A 46 13.608 11.033 -6.824 1.00 0.00 O ATOM 689 CG2 THR A 46 14.434 9.153 -7.967 1.00 0.00 C ATOM 0 H THR A 46 13.238 6.913 -5.611 1.00 0.00 H new ATOM 0 HA THR A 46 12.415 9.621 -5.164 1.00 0.00 H new ATOM 0 HB THR A 46 14.972 9.667 -5.926 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.817 10.979 -7.400 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.262 9.714 -8.401 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.717 8.105 -7.869 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.562 9.234 -8.616 1.00 0.00 H new ATOM 697 N ASN A 47 10.970 7.687 -6.504 1.00 0.00 N ATOM 698 CA ASN A 47 9.873 7.220 -7.416 1.00 0.00 C ATOM 699 C ASN A 47 10.383 6.182 -8.421 1.00 0.00 C ATOM 700 O ASN A 47 10.463 6.442 -9.605 1.00 0.00 O ATOM 701 CB ASN A 47 9.283 8.445 -8.180 1.00 0.00 C ATOM 702 CG ASN A 47 7.814 8.172 -8.523 1.00 0.00 C ATOM 703 OD1 ASN A 47 7.302 7.092 -8.301 1.00 0.00 O ATOM 704 ND2 ASN A 47 7.103 9.122 -9.064 1.00 0.00 N ATOM 0 H ASN A 47 10.968 7.262 -5.577 1.00 0.00 H new ATOM 0 HA ASN A 47 9.100 6.748 -6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.364 9.343 -7.567 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.853 8.628 -9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.124 8.956 -9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.526 10.031 -9.253 1.00 0.00 H new ATOM 711 N GLN A 48 10.707 5.017 -7.922 1.00 0.00 N ATOM 712 CA GLN A 48 11.210 3.947 -8.822 1.00 0.00 C ATOM 713 C GLN A 48 11.399 2.641 -8.059 1.00 0.00 C ATOM 714 O GLN A 48 12.360 2.472 -7.336 1.00 0.00 O ATOM 715 CB GLN A 48 12.566 4.374 -9.399 1.00 0.00 C ATOM 716 CG GLN A 48 13.098 3.247 -10.291 1.00 0.00 C ATOM 717 CD GLN A 48 14.213 3.793 -11.187 1.00 0.00 C ATOM 718 OE1 GLN A 48 14.296 4.980 -11.440 1.00 0.00 O ATOM 719 NE2 GLN A 48 15.088 2.966 -11.686 1.00 0.00 N ATOM 0 H GLN A 48 10.644 4.765 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 48 10.481 3.793 -9.617 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.459 5.293 -9.975 1.00 0.00 H new ATOM 0 HB3 GLN A 48 13.270 4.583 -8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.477 2.430 -9.677 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.292 2.840 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.024 1.969 -11.478 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.836 3.315 -12.285 1.00 0.00 H new ATOM 728 N CYS A 49 10.473 1.743 -8.236 1.00 0.00 N ATOM 729 CA CYS A 49 10.561 0.426 -7.537 1.00 0.00 C ATOM 730 C CYS A 49 9.325 -0.420 -7.845 1.00 0.00 C ATOM 731 O CYS A 49 8.236 0.099 -7.986 1.00 0.00 O ATOM 732 CB CYS A 49 10.654 0.663 -5.975 1.00 0.00 C ATOM 733 SG CYS A 49 10.406 2.342 -5.343 1.00 0.00 S ATOM 0 H CYS A 49 9.656 1.861 -8.835 1.00 0.00 H new ATOM 0 HA CYS A 49 11.450 -0.100 -7.886 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.919 0.016 -5.497 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.637 0.326 -5.646 1.00 0.00 H new ATOM 738 N THR A 50 9.518 -1.710 -7.946 1.00 0.00 N ATOM 739 CA THR A 50 8.364 -2.594 -8.242 1.00 0.00 C ATOM 740 C THR A 50 7.604 -2.906 -6.964 1.00 0.00 C ATOM 741 O THR A 50 8.177 -3.340 -5.986 1.00 0.00 O ATOM 742 CB THR A 50 8.882 -3.907 -8.841 1.00 0.00 C ATOM 743 OG1 THR A 50 9.331 -3.574 -10.137 1.00 0.00 O ATOM 744 CG2 THR A 50 7.722 -4.903 -9.075 1.00 0.00 C ATOM 0 H THR A 50 10.416 -2.181 -7.837 1.00 0.00 H new ATOM 0 HA THR A 50 7.699 -2.091 -8.944 1.00 0.00 H new ATOM 0 HB THR A 50 9.631 -4.343 -8.180 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.680 -4.376 -10.579 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.115 -5.826 -9.500 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.232 -5.121 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.000 -4.465 -9.764 1.00 0.00 H new ATOM 752 N ILE A 51 6.324 -2.680 -6.997 1.00 0.00 N ATOM 753 CA ILE A 51 5.492 -2.954 -5.793 1.00 0.00 C ATOM 754 C ILE A 51 5.198 -4.464 -5.708 1.00 0.00 C ATOM 755 O ILE A 51 5.026 -5.121 -6.716 1.00 0.00 O ATOM 756 CB ILE A 51 4.178 -2.065 -5.932 1.00 0.00 C ATOM 757 CG1 ILE A 51 3.951 -1.208 -4.675 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.900 -2.928 -6.177 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.355 -2.052 -3.542 1.00 0.00 C ATOM 0 H ILE A 51 5.816 -2.318 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 51 5.997 -2.691 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 51 4.341 -1.424 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.896 -0.772 -4.351 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.281 -0.381 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.031 -2.275 -6.265 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.018 -3.500 -7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.757 -3.612 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.203 -1.426 -2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.399 -2.467 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.039 -2.864 -3.295 1.00 0.00 H new ATOM 771 N ASP A 52 5.148 -4.982 -4.500 1.00 0.00 N ATOM 772 CA ASP A 52 4.872 -6.445 -4.338 1.00 0.00 C ATOM 773 C ASP A 52 4.268 -6.761 -2.962 1.00 0.00 C ATOM 774 O ASP A 52 3.121 -6.451 -2.706 1.00 0.00 O ATOM 775 CB ASP A 52 6.205 -7.201 -4.480 1.00 0.00 C ATOM 776 CG ASP A 52 6.808 -6.907 -5.854 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.419 -7.604 -6.776 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.625 -6.002 -5.903 1.00 0.00 O ATOM 0 H ASP A 52 5.284 -4.463 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 52 4.154 -6.751 -5.099 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.895 -6.895 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.043 -8.273 -4.363 1.00 0.00 H new ATOM 783 N LYS A 53 5.055 -7.378 -2.090 1.00 0.00 N ATOM 784 CA LYS A 53 4.520 -7.715 -0.730 1.00 0.00 C ATOM 785 C LYS A 53 5.619 -7.747 0.344 1.00 0.00 C ATOM 786 O LYS A 53 6.753 -8.086 0.077 1.00 0.00 O ATOM 787 CB LYS A 53 3.880 -9.110 -0.806 1.00 0.00 C ATOM 788 CG LYS A 53 3.080 -9.367 0.473 1.00 0.00 C ATOM 789 CD LYS A 53 2.238 -10.631 0.294 1.00 0.00 C ATOM 790 CE LYS A 53 1.336 -10.809 1.516 1.00 0.00 C ATOM 791 NZ LYS A 53 0.413 -11.961 1.321 1.00 0.00 N ATOM 0 H LYS A 53 6.022 -7.654 -2.263 1.00 0.00 H new ATOM 0 HA LYS A 53 3.803 -6.944 -0.448 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.228 -9.177 -1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.651 -9.871 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.755 -9.482 1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.436 -8.515 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.635 -10.556 -0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.885 -11.500 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.946 -10.971 2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.760 -9.899 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.192 -12.067 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.182 -11.792 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.967 -12.830 1.182 1.00 0.00 H new ATOM 805 N ASN A 54 5.230 -7.389 1.551 1.00 0.00 N ATOM 806 CA ASN A 54 6.190 -7.373 2.696 1.00 0.00 C ATOM 807 C ASN A 54 5.444 -6.939 3.960 1.00 0.00 C ATOM 808 O ASN A 54 5.013 -7.757 4.748 1.00 0.00 O ATOM 809 CB ASN A 54 7.307 -6.351 2.394 1.00 0.00 C ATOM 810 CG ASN A 54 8.187 -6.174 3.636 1.00 0.00 C ATOM 811 OD1 ASN A 54 8.315 -7.066 4.452 1.00 0.00 O ATOM 812 ND2 ASN A 54 8.806 -5.040 3.817 1.00 0.00 N ATOM 0 H ASN A 54 4.279 -7.106 1.788 1.00 0.00 H new ATOM 0 HA ASN A 54 6.621 -8.364 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.910 -6.694 1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.871 -5.395 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.394 -4.905 4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.702 -4.288 3.136 1.00 0.00 H new ATOM 819 N ARG A 55 5.314 -5.648 4.117 1.00 0.00 N ATOM 820 CA ARG A 55 4.605 -5.083 5.301 1.00 0.00 C ATOM 821 C ARG A 55 3.357 -4.425 4.777 1.00 0.00 C ATOM 822 O ARG A 55 2.366 -5.078 4.517 1.00 0.00 O ATOM 823 CB ARG A 55 5.542 -4.035 5.972 1.00 0.00 C ATOM 824 CG ARG A 55 4.850 -3.402 7.217 1.00 0.00 C ATOM 825 CD ARG A 55 5.153 -4.238 8.475 1.00 0.00 C ATOM 826 NE ARG A 55 4.482 -5.562 8.355 1.00 0.00 N ATOM 827 CZ ARG A 55 4.853 -6.540 9.135 1.00 0.00 C ATOM 828 NH1 ARG A 55 5.036 -6.299 10.405 1.00 0.00 N ATOM 829 NH2 ARG A 55 5.026 -7.726 8.621 1.00 0.00 N ATOM 0 H ARG A 55 5.675 -4.952 3.465 1.00 0.00 H new ATOM 0 HA ARG A 55 4.348 -5.842 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.476 -4.512 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.798 -3.255 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.201 -2.380 7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.773 -3.350 7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.229 -4.371 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.801 -3.718 9.366 1.00 0.00 H new ATOM 0 HE ARG A 55 3.740 -5.703 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.889 -5.359 10.772 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.326 -7.051 11.030 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.871 -7.877 7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.316 -8.502 9.216 1.00 0.00 H new ATOM 843 N ARG A 56 3.418 -3.161 4.632 1.00 0.00 N ATOM 844 CA ARG A 56 2.240 -2.428 4.109 1.00 0.00 C ATOM 845 C ARG A 56 2.311 -2.531 2.604 1.00 0.00 C ATOM 846 O ARG A 56 2.119 -1.567 1.889 1.00 0.00 O ATOM 847 CB ARG A 56 2.316 -0.947 4.526 1.00 0.00 C ATOM 848 CG ARG A 56 1.946 -0.825 6.011 1.00 0.00 C ATOM 849 CD ARG A 56 1.895 0.655 6.413 1.00 0.00 C ATOM 850 NE ARG A 56 3.286 1.141 6.659 1.00 0.00 N ATOM 851 CZ ARG A 56 3.476 2.194 7.409 1.00 0.00 C ATOM 852 NH1 ARG A 56 3.165 2.129 8.674 1.00 0.00 N ATOM 853 NH2 ARG A 56 3.970 3.274 6.868 1.00 0.00 N ATOM 0 H ARG A 56 4.231 -2.585 4.850 1.00 0.00 H new ATOM 0 HA ARG A 56 1.311 -2.844 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.320 -0.559 4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.636 -0.350 3.919 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.980 -1.295 6.194 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.678 -1.353 6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.425 1.243 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 56 1.288 0.781 7.310 1.00 0.00 H new ATOM 0 HE ARG A 56 4.081 0.655 6.245 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.781 1.267 9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 56 3.306 2.940 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.201 3.287 5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.125 4.105 7.439 1.00 0.00 H new ATOM 867 N LYS A 57 2.633 -3.738 2.165 1.00 0.00 N ATOM 868 CA LYS A 57 2.756 -4.040 0.715 1.00 0.00 C ATOM 869 C LYS A 57 3.956 -3.312 0.124 1.00 0.00 C ATOM 870 O LYS A 57 3.817 -2.280 -0.485 1.00 0.00 O ATOM 871 CB LYS A 57 1.440 -3.633 -0.044 1.00 0.00 C ATOM 872 CG LYS A 57 0.582 -4.885 -0.306 1.00 0.00 C ATOM 873 CD LYS A 57 0.079 -5.430 1.032 1.00 0.00 C ATOM 874 CE LYS A 57 -0.844 -6.623 0.777 1.00 0.00 C ATOM 875 NZ LYS A 57 -1.206 -7.282 2.063 1.00 0.00 N ATOM 0 H LYS A 57 2.817 -4.534 2.776 1.00 0.00 H new ATOM 0 HA LYS A 57 2.906 -5.113 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.876 -2.912 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.689 -3.147 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.260 -4.637 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.169 -5.643 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.921 -5.733 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.456 -4.652 1.577 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.747 -6.290 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.350 -7.339 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.833 -8.090 1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.343 -7.617 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.696 -6.600 2.677 1.00 0.00 H new ATOM 889 N SER A 58 5.123 -3.880 0.345 1.00 0.00 N ATOM 890 CA SER A 58 6.385 -3.266 -0.185 1.00 0.00 C ATOM 891 C SER A 58 6.321 -1.737 -0.178 1.00 0.00 C ATOM 892 O SER A 58 5.846 -1.139 0.766 1.00 0.00 O ATOM 893 CB SER A 58 6.580 -3.749 -1.633 1.00 0.00 C ATOM 894 OG SER A 58 7.940 -3.454 -1.917 1.00 0.00 O ATOM 0 H SER A 58 5.254 -4.744 0.871 1.00 0.00 H new ATOM 0 HA SER A 58 7.214 -3.569 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.375 -4.815 -1.728 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.909 -3.233 -2.319 1.00 0.00 H new ATOM 0 HG SER A 58 8.152 -3.735 -2.832 1.00 0.00 H new ATOM 900 N CYS A 59 6.803 -1.135 -1.235 1.00 0.00 N ATOM 901 CA CYS A 59 6.772 0.341 -1.299 1.00 0.00 C ATOM 902 C CYS A 59 5.359 0.840 -1.140 1.00 0.00 C ATOM 903 O CYS A 59 4.490 0.543 -1.937 1.00 0.00 O ATOM 904 CB CYS A 59 7.313 0.789 -2.652 1.00 0.00 C ATOM 905 SG CYS A 59 7.337 2.558 -2.951 1.00 0.00 S ATOM 0 H CYS A 59 7.211 -1.603 -2.044 1.00 0.00 H new ATOM 0 HA CYS A 59 7.384 0.748 -0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.330 0.410 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.716 0.318 -3.433 1.00 0.00 H new ATOM 910 N GLN A 60 5.156 1.591 -0.110 1.00 0.00 N ATOM 911 CA GLN A 60 3.818 2.133 0.150 1.00 0.00 C ATOM 912 C GLN A 60 3.465 3.261 -0.798 1.00 0.00 C ATOM 913 O GLN A 60 2.327 3.412 -1.166 1.00 0.00 O ATOM 914 CB GLN A 60 3.807 2.680 1.591 1.00 0.00 C ATOM 915 CG GLN A 60 3.709 1.511 2.569 1.00 0.00 C ATOM 916 CD GLN A 60 3.777 2.043 4.001 1.00 0.00 C ATOM 917 OE1 GLN A 60 4.668 1.711 4.757 1.00 0.00 O ATOM 918 NE2 GLN A 60 2.858 2.873 4.414 1.00 0.00 N ATOM 0 H GLN A 60 5.870 1.854 0.569 1.00 0.00 H new ATOM 0 HA GLN A 60 3.086 1.338 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.713 3.255 1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.965 3.358 1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.776 0.969 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.520 0.805 2.392 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.107 3.156 3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 60 2.891 3.238 5.366 1.00 0.00 H new ATOM 927 N ALA A 61 4.435 4.024 -1.223 1.00 0.00 N ATOM 928 CA ALA A 61 4.074 5.145 -2.154 1.00 0.00 C ATOM 929 C ALA A 61 3.786 4.673 -3.569 1.00 0.00 C ATOM 930 O ALA A 61 2.978 5.269 -4.253 1.00 0.00 O ATOM 931 CB ALA A 61 5.167 6.226 -2.150 1.00 0.00 C ATOM 0 H ALA A 61 5.422 3.933 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 61 3.146 5.576 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.887 7.030 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.279 6.627 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.112 5.789 -2.474 1.00 0.00 H new ATOM 937 N CYS A 62 4.425 3.630 -4.010 1.00 0.00 N ATOM 938 CA CYS A 62 4.134 3.174 -5.391 1.00 0.00 C ATOM 939 C CYS A 62 2.784 2.487 -5.374 1.00 0.00 C ATOM 940 O CYS A 62 2.070 2.485 -6.354 1.00 0.00 O ATOM 941 CB CYS A 62 5.236 2.178 -5.850 1.00 0.00 C ATOM 942 SG CYS A 62 6.734 2.878 -6.601 1.00 0.00 S ATOM 0 H CYS A 62 5.116 3.088 -3.492 1.00 0.00 H new ATOM 0 HA CYS A 62 4.119 4.016 -6.083 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.537 1.587 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.790 1.489 -6.567 1.00 0.00 H new ATOM 947 N ARG A 63 2.455 1.909 -4.243 1.00 0.00 N ATOM 948 CA ARG A 63 1.160 1.227 -4.143 1.00 0.00 C ATOM 949 C ARG A 63 0.067 2.242 -4.417 1.00 0.00 C ATOM 950 O ARG A 63 -0.787 2.029 -5.246 1.00 0.00 O ATOM 951 CB ARG A 63 1.009 0.682 -2.712 1.00 0.00 C ATOM 952 CG ARG A 63 -0.090 -0.379 -2.686 1.00 0.00 C ATOM 953 CD ARG A 63 -0.292 -0.836 -1.244 1.00 0.00 C ATOM 954 NE ARG A 63 -1.142 -2.059 -1.228 1.00 0.00 N ATOM 955 CZ ARG A 63 -1.559 -2.537 -0.084 1.00 0.00 C ATOM 956 NH1 ARG A 63 -1.237 -1.913 1.015 1.00 0.00 N ATOM 957 NH2 ARG A 63 -2.280 -3.623 -0.079 1.00 0.00 N ATOM 0 H ARG A 63 3.031 1.888 -3.402 1.00 0.00 H new ATOM 0 HA ARG A 63 1.093 0.408 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.952 0.253 -2.373 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.763 1.493 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.018 0.028 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.186 -1.225 -3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.671 -1.043 -0.778 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.764 -0.044 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.397 -2.520 -2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.669 -1.067 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.553 -2.271 1.916 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.511 -4.086 -0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.614 -4.010 0.804 1.00 0.00 H new ATOM 971 N LEU A 64 0.110 3.334 -3.689 1.00 0.00 N ATOM 972 CA LEU A 64 -0.914 4.379 -3.895 1.00 0.00 C ATOM 973 C LEU A 64 -0.927 4.797 -5.339 1.00 0.00 C ATOM 974 O LEU A 64 -1.883 4.609 -6.040 1.00 0.00 O ATOM 975 CB LEU A 64 -0.537 5.627 -3.091 1.00 0.00 C ATOM 976 CG LEU A 64 -1.625 6.729 -3.276 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.008 6.184 -2.801 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.225 7.952 -2.416 1.00 0.00 C ATOM 0 H LEU A 64 0.806 3.535 -2.971 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.880 3.979 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.440 5.374 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.432 6.002 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.700 7.014 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.767 6.955 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.276 5.308 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.948 5.908 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.973 8.737 -2.530 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.166 7.656 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.255 8.325 -2.743 1.00 0.00 H new ATOM 990 N ARG A 65 0.165 5.377 -5.765 1.00 0.00 N ATOM 991 CA ARG A 65 0.244 5.823 -7.168 1.00 0.00 C ATOM 992 C ARG A 65 -0.272 4.741 -8.077 1.00 0.00 C ATOM 993 O ARG A 65 -0.953 5.013 -9.044 1.00 0.00 O ATOM 994 CB ARG A 65 1.727 6.132 -7.496 1.00 0.00 C ATOM 995 CG ARG A 65 1.881 6.434 -8.999 1.00 0.00 C ATOM 996 CD ARG A 65 0.896 7.541 -9.407 1.00 0.00 C ATOM 997 NE ARG A 65 1.374 8.172 -10.671 1.00 0.00 N ATOM 998 CZ ARG A 65 2.347 9.041 -10.625 1.00 0.00 C ATOM 999 NH1 ARG A 65 3.011 9.185 -9.511 1.00 0.00 N ATOM 1000 NH2 ARG A 65 2.622 9.735 -11.695 1.00 0.00 N ATOM 0 H ARG A 65 0.995 5.556 -5.199 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.364 6.716 -7.315 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.068 6.984 -6.908 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.354 5.284 -7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.903 6.745 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.693 5.533 -9.582 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.102 7.125 -9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.821 8.289 -8.617 1.00 0.00 H new ATOM 0 HE ARG A 65 0.945 7.927 -11.563 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.767 8.623 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.775 9.859 -9.456 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.080 9.594 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.379 10.419 -11.679 1.00 0.00 H new ATOM 1014 N LYS A 66 0.047 3.521 -7.760 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.443 2.454 -8.615 1.00 0.00 C ATOM 1016 C LYS A 66 -1.942 2.410 -8.467 1.00 0.00 C ATOM 1017 O LYS A 66 -2.648 2.260 -9.429 1.00 0.00 O ATOM 1018 CB LYS A 66 0.172 1.111 -8.174 1.00 0.00 C ATOM 1019 CG LYS A 66 1.522 0.926 -8.868 1.00 0.00 C ATOM 1020 CD LYS A 66 2.104 -0.418 -8.458 1.00 0.00 C ATOM 1021 CE LYS A 66 3.357 -0.697 -9.290 1.00 0.00 C ATOM 1022 NZ LYS A 66 3.029 -0.698 -10.742 1.00 0.00 N ATOM 0 H LYS A 66 0.614 3.237 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.167 2.631 -9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.300 1.094 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.497 0.289 -8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.399 0.970 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.202 1.732 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.351 -0.412 -7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.369 -1.208 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.114 0.059 -9.083 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.782 -1.660 -9.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.743 -1.250 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.091 -1.125 -10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.023 0.279 -11.097 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.411 2.590 -7.247 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.867 2.558 -7.035 1.00 0.00 C ATOM 1038 C CYS A 67 -4.528 3.552 -7.934 1.00 0.00 C ATOM 1039 O CYS A 67 -5.548 3.276 -8.522 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.185 2.919 -5.587 1.00 0.00 C ATOM 1041 SG CYS A 67 -3.434 1.907 -4.289 1.00 0.00 S ATOM 0 H CYS A 67 -1.845 2.754 -6.414 1.00 0.00 H new ATOM 0 HA CYS A 67 -4.234 1.556 -7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.882 3.953 -5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.267 2.880 -5.460 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.208 1.624 -4.615 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.954 4.711 -8.025 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.565 5.715 -8.901 1.00 0.00 C ATOM 1049 C TYR A 68 -4.320 5.306 -10.340 1.00 0.00 C ATOM 1050 O TYR A 68 -5.104 5.608 -11.218 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.902 7.090 -8.631 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.140 7.583 -7.159 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.381 7.443 -6.523 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.130 8.275 -6.484 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.597 7.986 -5.269 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.369 8.829 -5.234 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.590 8.683 -4.623 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.799 9.213 -3.379 1.00 0.00 O ATOM 0 H TYR A 68 -3.104 4.997 -7.538 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.636 5.787 -8.712 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.831 7.019 -8.820 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.300 7.827 -9.328 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.177 6.906 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.156 8.379 -6.939 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.558 7.865 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.586 9.381 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.505 9.891 -3.427 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.230 4.620 -10.560 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.924 4.178 -11.937 1.00 0.00 C ATOM 1070 C GLU A 69 -3.962 3.195 -12.378 1.00 0.00 C ATOM 1071 O GLU A 69 -4.378 3.170 -13.519 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.545 3.507 -11.951 1.00 0.00 C ATOM 1073 CG GLU A 69 -1.046 3.416 -13.395 1.00 0.00 C ATOM 1074 CD GLU A 69 0.264 2.627 -13.428 1.00 0.00 C ATOM 1075 OE1 GLU A 69 0.241 1.518 -12.920 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.214 3.177 -13.960 1.00 0.00 O ATOM 0 H GLU A 69 -2.549 4.352 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.922 5.034 -12.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.842 4.080 -11.346 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.607 2.512 -11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.794 2.928 -14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.893 4.415 -13.803 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.358 2.405 -11.455 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.390 1.383 -11.754 1.00 0.00 C ATOM 1085 C VAL A 70 -6.613 2.098 -12.211 1.00 0.00 C ATOM 1086 O VAL A 70 -7.500 1.534 -12.821 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.756 0.611 -10.443 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.977 -0.292 -10.694 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.589 -0.265 -9.995 1.00 0.00 C ATOM 0 H VAL A 70 -4.017 2.412 -10.494 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.020 0.687 -12.507 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.981 1.343 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.228 -0.827 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.825 0.320 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.744 -1.009 -11.481 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.861 -0.795 -9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.355 -0.987 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.717 0.360 -9.806 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.619 3.340 -11.922 1.00 0.00 N ATOM 1100 CA GLY A 71 -7.764 4.168 -12.304 1.00 0.00 C ATOM 1101 C GLY A 71 -8.947 3.737 -11.456 1.00 0.00 C ATOM 1102 O GLY A 71 -10.068 3.684 -11.924 1.00 0.00 O ATOM 0 H GLY A 71 -5.871 3.829 -11.430 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.543 5.223 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.988 4.046 -13.364 1.00 0.00 H new ATOM 1106 N MET A 72 -8.672 3.432 -10.196 1.00 0.00 N ATOM 1107 CA MET A 72 -9.784 2.997 -9.305 1.00 0.00 C ATOM 1108 C MET A 72 -10.501 4.227 -8.752 1.00 0.00 C ATOM 1109 O MET A 72 -10.429 5.305 -9.309 1.00 0.00 O ATOM 1110 CB MET A 72 -9.194 2.167 -8.070 1.00 0.00 C ATOM 1111 CG MET A 72 -9.710 0.758 -8.189 1.00 0.00 C ATOM 1112 SD MET A 72 -9.708 -0.337 -6.751 1.00 0.00 S ATOM 1113 CE MET A 72 -8.157 0.166 -6.154 1.00 0.00 C ATOM 0 H MET A 72 -7.747 3.468 -9.767 1.00 0.00 H new ATOM 0 HA MET A 72 -10.474 2.378 -9.878 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.104 2.179 -8.084 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.505 2.612 -7.125 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.738 0.820 -8.546 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.130 0.266 -8.970 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.810 -0.542 -5.401 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.443 0.199 -6.977 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.243 1.157 -5.708 1.00 0.00 H new ATOM 1123 N MET A 73 -11.173 4.026 -7.672 1.00 0.00 N ATOM 1124 CA MET A 73 -11.898 5.118 -7.034 1.00 0.00 C ATOM 1125 C MET A 73 -12.543 4.609 -5.781 1.00 0.00 C ATOM 1126 O MET A 73 -13.319 3.684 -5.805 1.00 0.00 O ATOM 1127 CB MET A 73 -12.963 5.701 -7.978 1.00 0.00 C ATOM 1128 CG MET A 73 -13.752 4.575 -8.664 1.00 0.00 C ATOM 1129 SD MET A 73 -14.979 5.067 -9.900 1.00 0.00 S ATOM 1130 CE MET A 73 -15.652 3.419 -10.220 1.00 0.00 C ATOM 0 H MET A 73 -11.248 3.126 -7.198 1.00 0.00 H new ATOM 0 HA MET A 73 -11.195 5.915 -6.792 1.00 0.00 H new ATOM 0 HB2 MET A 73 -13.644 6.340 -7.416 1.00 0.00 H new ATOM 0 HB3 MET A 73 -12.485 6.329 -8.731 1.00 0.00 H new ATOM 0 HG2 MET A 73 -13.038 3.905 -9.143 1.00 0.00 H new ATOM 0 HG3 MET A 73 -14.261 3.999 -7.891 1.00 0.00 H new ATOM 0 HE1 MET A 73 -16.391 3.477 -11.019 1.00 0.00 H new ATOM 0 HE2 MET A 73 -14.846 2.749 -10.519 1.00 0.00 H new ATOM 0 HE3 MET A 73 -16.125 3.037 -9.315 1.00 0.00 H new ATOM 1140 N LYS A 74 -12.192 5.216 -4.702 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.758 4.801 -3.407 1.00 0.00 C ATOM 1142 C LYS A 74 -14.248 4.436 -3.518 1.00 0.00 C ATOM 1143 O LYS A 74 -14.774 3.707 -2.702 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.622 5.966 -2.415 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.771 5.435 -0.986 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.018 6.610 -0.036 1.00 0.00 C ATOM 1147 CE LYS A 74 -12.843 6.133 1.408 1.00 0.00 C ATOM 1148 NZ LYS A 74 -13.146 7.238 2.361 1.00 0.00 N ATOM 0 H LYS A 74 -11.530 5.991 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.213 3.919 -3.071 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.653 6.450 -2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -13.383 6.720 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -13.599 4.728 -0.932 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.871 4.895 -0.690 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.321 7.420 -0.251 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.023 7.006 -0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.503 5.287 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.822 5.782 1.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.023 6.899 3.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.499 8.034 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.128 7.554 2.226 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.896 4.965 -4.521 1.00 0.00 N ATOM 1163 CA GLY A 75 -16.345 4.663 -4.703 1.00 0.00 C ATOM 1164 C GLY A 75 -17.192 5.532 -3.770 1.00 0.00 C ATOM 1165 O GLY A 75 -16.821 6.683 -3.618 1.00 0.00 O ATOM 1166 OXT GLY A 75 -18.162 4.993 -3.260 1.00 0.00 O ATOM 0 H GLY A 75 -14.488 5.589 -5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.633 4.842 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.532 3.609 -4.498 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.035 -5.669 -3.928 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.293 3.176 -4.943 1.00 0.00 ZN