USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 626 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 69 ASN : amide:sc= 0.623 K(o=0.63,f=-0.2) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -170:sc= 0.00312 (180deg=0) USER MOD Set 2.1: A 6 HIS : no HD1:sc= -1.11! K(o=-3.2!,f=-2.4) USER MOD Set 2.2: A 20 TYR OH : rot -16:sc= -2.08 USER MOD Single : A 1 THR N :NH3+ -149:sc= 0.284 (180deg=-0.387) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 2 MET CE :methyl 147:sc= -0.717 (180deg=-2.92!) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 4 SER OG : rot -67:sc= 0.626 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -98:sc= 0.511! USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -2.68! C(o=-2.7!,f=-6.4!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 111:sc= -4.66! USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00996 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.013) USER MOD Single : A 49 THR OG1 : rot 60:sc= -2.98! USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.19 (180deg=-1.33) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 54 ASN : amide:sc= -13.2! C(o=-13!,f=-8.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -149:sc= -5.32! (180deg=-7.25!) USER MOD Single : A 66 THR OG1 : rot 110:sc= -2.8! USER MOD Single : A 68 SER OG : rot -63:sc= 0.883 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -64:sc= 1.11 USER MOD Single : A 77 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.316) USER MOD Single : A 80 SER OG : rot 104:sc= 0.689 USER MOD Single : A 90 SER OG : rot 55:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -7.950 -9.594 -12.906 1.00 0.00 N ATOM 2 CA THR A 1 -7.855 -10.865 -12.129 1.00 0.00 C ATOM 3 C THR A 1 -9.252 -11.450 -11.900 1.00 0.00 C ATOM 4 O THR A 1 -9.430 -12.650 -11.841 1.00 0.00 O ATOM 5 CB THR A 1 -7.213 -10.469 -10.798 1.00 0.00 C ATOM 6 OG1 THR A 1 -7.818 -9.275 -10.320 1.00 0.00 O ATOM 7 CG2 THR A 1 -5.714 -10.239 -11.001 1.00 0.00 C ATOM 0 H1 THR A 1 -7.097 -9.480 -13.491 1.00 0.00 H new ATOM 0 H2 THR A 1 -8.789 -9.624 -13.520 1.00 0.00 H new ATOM 0 H3 THR A 1 -8.030 -8.791 -12.250 1.00 0.00 H new ATOM 0 HA THR A 1 -7.274 -11.626 -12.650 1.00 0.00 H new ATOM 0 HB THR A 1 -7.360 -11.267 -10.071 1.00 0.00 H new ATOM 0 HG1 THR A 1 -7.409 -9.020 -9.466 1.00 0.00 H new ATOM 0 HG21 THR A 1 -5.257 -9.957 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 1 -5.252 -11.155 -11.368 1.00 0.00 H new ATOM 0 HG23 THR A 1 -5.564 -9.441 -11.728 1.00 0.00 H new ATOM 17 N MET A 2 -10.243 -10.611 -11.768 1.00 0.00 N ATOM 18 CA MET A 2 -11.625 -11.120 -11.542 1.00 0.00 C ATOM 19 C MET A 2 -11.667 -11.998 -10.288 1.00 0.00 C ATOM 20 O MET A 2 -12.282 -13.046 -10.272 1.00 0.00 O ATOM 21 CB MET A 2 -11.952 -11.946 -12.785 1.00 0.00 C ATOM 22 CG MET A 2 -13.469 -12.095 -12.917 1.00 0.00 C ATOM 23 SD MET A 2 -14.183 -10.522 -13.463 1.00 0.00 S ATOM 24 CE MET A 2 -13.193 -10.334 -14.967 1.00 0.00 C ATOM 0 H MET A 2 -10.155 -9.596 -11.807 1.00 0.00 H new ATOM 0 HA MET A 2 -12.342 -10.313 -11.389 1.00 0.00 H new ATOM 0 HB2 MET A 2 -11.545 -11.462 -13.673 1.00 0.00 H new ATOM 0 HB3 MET A 2 -11.485 -12.928 -12.715 1.00 0.00 H new ATOM 0 HG2 MET A 2 -13.707 -12.883 -13.632 1.00 0.00 H new ATOM 0 HG3 MET A 2 -13.901 -12.391 -11.961 1.00 0.00 H new ATOM 0 HE1 MET A 2 -13.785 -9.831 -15.732 1.00 0.00 H new ATOM 0 HE2 MET A 2 -12.305 -9.741 -14.747 1.00 0.00 H new ATOM 0 HE3 MET A 2 -12.892 -11.317 -15.330 1.00 0.00 H new ATOM 34 N SER A 3 -11.017 -11.577 -9.237 1.00 0.00 N ATOM 35 CA SER A 3 -11.018 -12.390 -7.986 1.00 0.00 C ATOM 36 C SER A 3 -10.917 -11.475 -6.762 1.00 0.00 C ATOM 37 O SER A 3 -11.694 -11.577 -5.833 1.00 0.00 O ATOM 38 CB SER A 3 -9.784 -13.284 -8.093 1.00 0.00 C ATOM 39 OG SER A 3 -9.048 -13.218 -6.880 1.00 0.00 O ATOM 0 H SER A 3 -10.486 -10.707 -9.190 1.00 0.00 H new ATOM 0 HA SER A 3 -11.932 -12.972 -7.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.083 -14.313 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.160 -12.964 -8.928 1.00 0.00 H new ATOM 0 HG SER A 3 -8.257 -13.792 -6.946 1.00 0.00 H new ATOM 45 N SER A 4 -9.964 -10.584 -6.753 1.00 0.00 N ATOM 46 CA SER A 4 -9.814 -9.665 -5.589 1.00 0.00 C ATOM 47 C SER A 4 -9.947 -10.447 -4.279 1.00 0.00 C ATOM 48 O SER A 4 -10.863 -10.236 -3.509 1.00 0.00 O ATOM 49 CB SER A 4 -10.955 -8.658 -5.729 1.00 0.00 C ATOM 50 OG SER A 4 -11.151 -7.995 -4.488 1.00 0.00 O ATOM 0 H SER A 4 -9.283 -10.452 -7.501 1.00 0.00 H new ATOM 0 HA SER A 4 -8.840 -9.177 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.722 -7.933 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 4 -11.870 -9.168 -6.031 1.00 0.00 H new ATOM 0 HG SER A 4 -11.479 -8.636 -3.823 1.00 0.00 H new ATOM 56 N GLU A 5 -9.041 -11.349 -4.022 1.00 0.00 N ATOM 57 CA GLU A 5 -9.116 -12.146 -2.762 1.00 0.00 C ATOM 58 C GLU A 5 -8.395 -11.412 -1.630 1.00 0.00 C ATOM 59 O GLU A 5 -8.617 -11.680 -0.465 1.00 0.00 O ATOM 60 CB GLU A 5 -8.411 -13.463 -3.085 1.00 0.00 C ATOM 61 CG GLU A 5 -9.454 -14.545 -3.367 1.00 0.00 C ATOM 62 CD GLU A 5 -10.080 -15.009 -2.051 1.00 0.00 C ATOM 63 OE1 GLU A 5 -9.346 -15.505 -1.211 1.00 0.00 O ATOM 64 OE2 GLU A 5 -11.283 -14.862 -1.905 1.00 0.00 O ATOM 0 H GLU A 5 -8.251 -11.570 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 5 -10.143 -12.305 -2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.760 -13.336 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.777 -13.763 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.226 -14.156 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.989 -15.388 -3.878 1.00 0.00 H new ATOM 71 N HIS A 6 -7.534 -10.490 -1.960 1.00 0.00 N ATOM 72 CA HIS A 6 -6.799 -9.742 -0.899 1.00 0.00 C ATOM 73 C HIS A 6 -7.183 -8.261 -0.930 1.00 0.00 C ATOM 74 O HIS A 6 -6.837 -7.505 -0.046 1.00 0.00 O ATOM 75 CB HIS A 6 -5.319 -9.913 -1.239 1.00 0.00 C ATOM 76 CG HIS A 6 -5.037 -11.359 -1.540 1.00 0.00 C ATOM 77 ND1 HIS A 6 -4.383 -12.187 -0.642 1.00 0.00 N ATOM 78 CD2 HIS A 6 -5.312 -12.138 -2.638 1.00 0.00 C ATOM 79 CE1 HIS A 6 -4.286 -13.404 -1.209 1.00 0.00 C ATOM 80 NE2 HIS A 6 -4.836 -13.429 -2.425 1.00 0.00 N ATOM 0 H HIS A 6 -7.307 -10.221 -2.917 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.034 -10.113 0.099 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.058 -9.294 -2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.702 -9.577 -0.405 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.820 -11.801 -3.530 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -3.820 -14.256 -0.737 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.895 -14.224 -3.062 1.00 0.00 H new ATOM 88 N THR A 7 -7.893 -7.841 -1.941 1.00 0.00 N ATOM 89 CA THR A 7 -8.293 -6.408 -2.025 1.00 0.00 C ATOM 90 C THR A 7 -9.593 -6.174 -1.249 1.00 0.00 C ATOM 91 O THR A 7 -10.482 -7.001 -1.245 1.00 0.00 O ATOM 92 CB THR A 7 -8.503 -6.140 -3.516 1.00 0.00 C ATOM 93 OG1 THR A 7 -7.250 -6.202 -4.186 1.00 0.00 O ATOM 94 CG2 THR A 7 -9.117 -4.753 -3.707 1.00 0.00 C ATOM 0 H THR A 7 -8.213 -8.427 -2.712 1.00 0.00 H new ATOM 0 HA THR A 7 -7.543 -5.745 -1.594 1.00 0.00 H new ATOM 0 HB THR A 7 -9.176 -6.891 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.382 -6.032 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.266 -4.564 -4.770 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.077 -4.706 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.447 -3.999 -3.295 1.00 0.00 H new ATOM 102 N CYS A 8 -9.708 -5.050 -0.596 1.00 0.00 N ATOM 103 CA CYS A 8 -10.951 -4.758 0.177 1.00 0.00 C ATOM 104 C CYS A 8 -12.180 -5.192 -0.625 1.00 0.00 C ATOM 105 O CYS A 8 -12.284 -4.931 -1.808 1.00 0.00 O ATOM 106 CB CYS A 8 -10.947 -3.241 0.375 1.00 0.00 C ATOM 107 SG CYS A 8 -10.511 -2.431 -1.185 1.00 0.00 S ATOM 0 H CYS A 8 -8.996 -4.321 -0.564 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.985 -5.291 1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.928 -2.905 0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.233 -2.967 1.152 1.00 0.00 H new ATOM 112 N ILE A 9 -13.112 -5.852 0.004 1.00 0.00 N ATOM 113 CA ILE A 9 -14.331 -6.301 -0.730 1.00 0.00 C ATOM 114 C ILE A 9 -15.438 -5.250 -0.614 1.00 0.00 C ATOM 115 O ILE A 9 -16.128 -4.954 -1.570 1.00 0.00 O ATOM 116 CB ILE A 9 -14.752 -7.599 -0.042 1.00 0.00 C ATOM 117 CG1 ILE A 9 -15.906 -8.236 -0.820 1.00 0.00 C ATOM 118 CG2 ILE A 9 -15.209 -7.297 1.387 1.00 0.00 C ATOM 119 CD1 ILE A 9 -16.411 -9.469 -0.067 1.00 0.00 C ATOM 0 H ILE A 9 -13.084 -6.100 0.993 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.141 -6.445 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.906 -8.286 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.715 -7.516 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.573 -8.518 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.509 -8.224 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.389 -6.842 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -16.055 -6.610 1.361 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.233 -9.922 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.600 -10.190 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.760 -9.173 0.922 1.00 0.00 H new ATOM 131 N ASP A 10 -15.612 -4.687 0.547 1.00 0.00 N ATOM 132 CA ASP A 10 -16.672 -3.658 0.726 1.00 0.00 C ATOM 133 C ASP A 10 -16.255 -2.672 1.819 1.00 0.00 C ATOM 134 O ASP A 10 -16.958 -2.469 2.788 1.00 0.00 O ATOM 135 CB ASP A 10 -17.916 -4.438 1.151 1.00 0.00 C ATOM 136 CG ASP A 10 -19.148 -3.859 0.453 1.00 0.00 C ATOM 137 OD1 ASP A 10 -19.087 -3.673 -0.753 1.00 0.00 O ATOM 138 OD2 ASP A 10 -20.130 -3.614 1.131 1.00 0.00 O ATOM 0 H ASP A 10 -15.065 -4.895 1.382 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.850 -3.079 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.802 -5.491 0.895 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.039 -4.384 2.233 1.00 0.00 H new ATOM 143 N THR A 11 -15.112 -2.063 1.669 1.00 0.00 N ATOM 144 CA THR A 11 -14.645 -1.097 2.701 1.00 0.00 C ATOM 145 C THR A 11 -15.097 0.319 2.342 1.00 0.00 C ATOM 146 O THR A 11 -15.079 0.713 1.193 1.00 0.00 O ATOM 147 CB THR A 11 -13.118 -1.193 2.672 1.00 0.00 C ATOM 148 OG1 THR A 11 -12.710 -2.383 3.333 1.00 0.00 O ATOM 149 CG2 THR A 11 -12.512 0.020 3.381 1.00 0.00 C ATOM 0 H THR A 11 -14.482 -2.192 0.877 1.00 0.00 H new ATOM 0 HA THR A 11 -15.050 -1.320 3.688 1.00 0.00 H new ATOM 0 HB THR A 11 -12.774 -1.213 1.638 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.452 -2.173 4.255 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.425 -0.051 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.826 0.932 2.874 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.853 0.044 4.416 1.00 0.00 H new ATOM 157 N ASN A 12 -15.488 1.094 3.316 1.00 0.00 N ATOM 158 CA ASN A 12 -15.923 2.485 3.020 1.00 0.00 C ATOM 159 C ASN A 12 -14.690 3.337 2.724 1.00 0.00 C ATOM 160 O ASN A 12 -13.888 3.612 3.594 1.00 0.00 O ATOM 161 CB ASN A 12 -16.620 2.964 4.293 1.00 0.00 C ATOM 162 CG ASN A 12 -17.743 3.937 3.927 1.00 0.00 C ATOM 163 OD1 ASN A 12 -18.803 3.525 3.498 1.00 0.00 O ATOM 164 ND2 ASN A 12 -17.551 5.219 4.074 1.00 0.00 N ATOM 0 H ASN A 12 -15.525 0.825 4.299 1.00 0.00 H new ATOM 0 HA ASN A 12 -16.586 2.551 2.157 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.026 2.113 4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -15.902 3.453 4.951 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -18.291 5.877 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -16.661 5.563 4.434 1.00 0.00 H new ATOM 171 N VAL A 13 -14.524 3.742 1.498 1.00 0.00 N ATOM 172 CA VAL A 13 -13.332 4.561 1.143 1.00 0.00 C ATOM 173 C VAL A 13 -13.730 5.708 0.207 1.00 0.00 C ATOM 174 O VAL A 13 -14.356 5.491 -0.811 1.00 0.00 O ATOM 175 CB VAL A 13 -12.391 3.582 0.437 1.00 0.00 C ATOM 176 CG1 VAL A 13 -11.363 4.358 -0.386 1.00 0.00 C ATOM 177 CG2 VAL A 13 -11.668 2.731 1.484 1.00 0.00 C ATOM 0 H VAL A 13 -15.161 3.542 0.726 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.867 5.022 2.014 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.969 2.937 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.695 3.658 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.877 4.966 -1.131 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.783 5.005 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.997 2.032 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.092 3.379 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.400 2.175 2.070 1.00 0.00 H new ATOM 187 N PRO A 14 -13.344 6.894 0.591 1.00 0.00 N ATOM 188 CA PRO A 14 -13.658 8.100 -0.218 1.00 0.00 C ATOM 189 C PRO A 14 -13.024 7.991 -1.608 1.00 0.00 C ATOM 190 O PRO A 14 -12.066 7.271 -1.809 1.00 0.00 O ATOM 191 CB PRO A 14 -13.035 9.253 0.571 1.00 0.00 C ATOM 192 CG PRO A 14 -12.755 8.710 1.938 1.00 0.00 C ATOM 193 CD PRO A 14 -12.591 7.221 1.802 1.00 0.00 C ATOM 0 HA PRO A 14 -14.728 8.234 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.119 9.603 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.714 10.104 0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.853 9.160 2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -13.572 8.946 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.542 6.941 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.984 6.695 2.672 1.00 0.00 H new ATOM 201 N ASP A 15 -13.551 8.703 -2.565 1.00 0.00 N ATOM 202 CA ASP A 15 -12.980 8.645 -3.942 1.00 0.00 C ATOM 203 C ASP A 15 -11.579 9.263 -3.960 1.00 0.00 C ATOM 204 O ASP A 15 -11.309 10.194 -4.693 1.00 0.00 O ATOM 205 CB ASP A 15 -13.939 9.465 -4.805 1.00 0.00 C ATOM 206 CG ASP A 15 -15.261 8.713 -4.954 1.00 0.00 C ATOM 207 OD1 ASP A 15 -15.234 7.600 -5.453 1.00 0.00 O ATOM 208 OD2 ASP A 15 -16.280 9.262 -4.568 1.00 0.00 O ATOM 0 H ASP A 15 -14.353 9.323 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.880 7.622 -4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.112 10.440 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.499 9.646 -5.786 1.00 0.00 H new ATOM 213 N ASN A 16 -10.688 8.753 -3.156 1.00 0.00 N ATOM 214 CA ASN A 16 -9.306 9.309 -3.122 1.00 0.00 C ATOM 215 C ASN A 16 -8.419 8.447 -2.218 1.00 0.00 C ATOM 216 O ASN A 16 -7.444 8.912 -1.662 1.00 0.00 O ATOM 217 CB ASN A 16 -9.457 10.715 -2.540 1.00 0.00 C ATOM 218 CG ASN A 16 -9.442 11.744 -3.671 1.00 0.00 C ATOM 219 OD1 ASN A 16 -9.154 11.414 -4.805 1.00 0.00 O ATOM 220 ND2 ASN A 16 -9.743 12.986 -3.409 1.00 0.00 N ATOM 0 H ASN A 16 -10.857 7.974 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.841 9.326 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.389 10.789 -1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.647 10.918 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.737 13.681 -4.156 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.985 13.262 -2.457 1.00 0.00 H new ATOM 227 N ALA A 17 -8.755 7.195 -2.065 1.00 0.00 N ATOM 228 CA ALA A 17 -7.938 6.304 -1.194 1.00 0.00 C ATOM 229 C ALA A 17 -7.948 4.876 -1.739 1.00 0.00 C ATOM 230 O ALA A 17 -8.735 4.532 -2.598 1.00 0.00 O ATOM 231 CB ALA A 17 -8.618 6.354 0.176 1.00 0.00 C ATOM 0 H ALA A 17 -9.560 6.751 -2.506 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.896 6.621 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.073 5.720 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.622 7.380 0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.644 5.997 0.086 1.00 0.00 H new ATOM 237 N ALA A 18 -7.084 4.038 -1.238 1.00 0.00 N ATOM 238 CA ALA A 18 -7.049 2.629 -1.716 1.00 0.00 C ATOM 239 C ALA A 18 -7.207 1.685 -0.523 1.00 0.00 C ATOM 240 O ALA A 18 -6.574 1.854 0.500 1.00 0.00 O ATOM 241 CB ALA A 18 -5.671 2.462 -2.360 1.00 0.00 C ATOM 0 H ALA A 18 -6.400 4.269 -0.517 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.849 2.401 -2.420 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.567 1.445 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.566 3.168 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.897 2.653 -1.617 1.00 0.00 H new ATOM 247 N CYS A 19 -8.049 0.699 -0.641 1.00 0.00 N ATOM 248 CA CYS A 19 -8.244 -0.243 0.497 1.00 0.00 C ATOM 249 C CYS A 19 -7.756 -1.642 0.119 1.00 0.00 C ATOM 250 O CYS A 19 -7.802 -2.040 -1.029 1.00 0.00 O ATOM 251 CB CYS A 19 -9.749 -0.246 0.769 1.00 0.00 C ATOM 252 SG CYS A 19 -10.657 -0.457 -0.785 1.00 0.00 S ATOM 0 H CYS A 19 -8.609 0.504 -1.471 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.679 0.058 1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.001 -1.051 1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.043 0.688 1.248 1.00 0.00 H new ATOM 257 N TYR A 20 -7.285 -2.388 1.078 1.00 0.00 N ATOM 258 CA TYR A 20 -6.788 -3.762 0.777 1.00 0.00 C ATOM 259 C TYR A 20 -7.110 -4.713 1.932 1.00 0.00 C ATOM 260 O TYR A 20 -7.041 -4.348 3.089 1.00 0.00 O ATOM 261 CB TYR A 20 -5.275 -3.607 0.617 1.00 0.00 C ATOM 262 CG TYR A 20 -4.703 -4.864 0.010 1.00 0.00 C ATOM 263 CD1 TYR A 20 -4.410 -5.965 0.824 1.00 0.00 C ATOM 264 CD2 TYR A 20 -4.466 -4.931 -1.369 1.00 0.00 C ATOM 265 CE1 TYR A 20 -3.882 -7.132 0.259 1.00 0.00 C ATOM 266 CE2 TYR A 20 -3.937 -6.098 -1.933 1.00 0.00 C ATOM 267 CZ TYR A 20 -3.645 -7.199 -1.120 1.00 0.00 C ATOM 268 OH TYR A 20 -3.124 -8.349 -1.675 1.00 0.00 O ATOM 0 H TYR A 20 -7.222 -2.108 2.057 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.254 -4.182 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.051 -2.749 -0.018 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.814 -3.415 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.591 -5.914 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.691 -4.082 -1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.657 -7.981 0.887 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.754 -6.149 -2.996 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.744 -8.910 -0.968 1.00 0.00 H new ATOM 278 N ARG A 21 -7.461 -5.933 1.625 1.00 0.00 N ATOM 279 CA ARG A 21 -7.786 -6.913 2.700 1.00 0.00 C ATOM 280 C ARG A 21 -6.579 -7.816 2.971 1.00 0.00 C ATOM 281 O ARG A 21 -5.785 -8.084 2.091 1.00 0.00 O ATOM 282 CB ARG A 21 -8.952 -7.734 2.152 1.00 0.00 C ATOM 283 CG ARG A 21 -10.240 -7.348 2.883 1.00 0.00 C ATOM 284 CD ARG A 21 -11.371 -8.281 2.450 1.00 0.00 C ATOM 285 NE ARG A 21 -12.007 -8.731 3.719 1.00 0.00 N ATOM 286 CZ ARG A 21 -13.185 -9.291 3.698 1.00 0.00 C ATOM 287 NH1 ARG A 21 -13.806 -9.464 2.562 1.00 0.00 N ATOM 288 NH2 ARG A 21 -13.743 -9.679 4.812 1.00 0.00 N ATOM 0 H ARG A 21 -7.537 -6.293 0.674 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.039 -6.424 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.063 -7.558 1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.753 -8.798 2.281 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.093 -7.414 3.961 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.502 -6.314 2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.087 -7.763 1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.988 -9.127 1.879 1.00 0.00 H new ATOM 0 HE ARG A 21 -11.521 -8.601 4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.370 -9.161 1.691 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.727 -9.902 2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -13.258 -9.544 5.699 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.664 -10.117 4.796 1.00 0.00 H new ATOM 302 N TYR A 22 -6.431 -8.286 4.179 1.00 0.00 N ATOM 303 CA TYR A 22 -5.271 -9.171 4.495 1.00 0.00 C ATOM 304 C TYR A 22 -5.628 -10.636 4.226 1.00 0.00 C ATOM 305 O TYR A 22 -6.757 -10.966 3.923 1.00 0.00 O ATOM 306 CB TYR A 22 -4.991 -8.951 5.982 1.00 0.00 C ATOM 307 CG TYR A 22 -3.521 -9.154 6.250 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.568 -8.496 5.464 1.00 0.00 C ATOM 309 CD2 TYR A 22 -3.109 -10.003 7.285 1.00 0.00 C ATOM 310 CE1 TYR A 22 -1.204 -8.687 5.711 1.00 0.00 C ATOM 311 CE2 TYR A 22 -1.744 -10.193 7.532 1.00 0.00 C ATOM 312 CZ TYR A 22 -0.792 -9.536 6.745 1.00 0.00 C ATOM 313 OH TYR A 22 0.553 -9.724 6.989 1.00 0.00 O ATOM 0 H TYR A 22 -7.060 -8.097 4.959 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.401 -8.940 3.880 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.290 -7.944 6.275 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.580 -9.645 6.581 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.886 -7.841 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.844 -10.511 7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.469 -8.179 5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.426 -10.847 8.330 1.00 0.00 H new ATOM 0 HH TYR A 22 0.666 -10.342 7.741 1.00 0.00 H new ATOM 323 N LEU A 23 -4.669 -11.516 4.329 1.00 0.00 N ATOM 324 CA LEU A 23 -4.945 -12.961 4.075 1.00 0.00 C ATOM 325 C LEU A 23 -5.725 -13.573 5.243 1.00 0.00 C ATOM 326 O LEU A 23 -6.422 -14.556 5.086 1.00 0.00 O ATOM 327 CB LEU A 23 -3.567 -13.610 3.952 1.00 0.00 C ATOM 328 CG LEU A 23 -3.161 -13.670 2.480 1.00 0.00 C ATOM 329 CD1 LEU A 23 -2.206 -12.516 2.167 1.00 0.00 C ATOM 330 CD2 LEU A 23 -2.457 -15.001 2.199 1.00 0.00 C ATOM 0 H LEU A 23 -3.705 -11.297 4.578 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.551 -13.112 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.832 -13.039 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.587 -14.614 4.376 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.050 -13.588 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.916 -12.558 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.704 -11.567 2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.317 -12.599 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.167 -15.045 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.568 -15.082 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.134 -15.825 2.423 1.00 0.00 H new ATOM 342 N ASP A 24 -5.611 -13.007 6.412 1.00 0.00 N ATOM 343 CA ASP A 24 -6.343 -13.566 7.585 1.00 0.00 C ATOM 344 C ASP A 24 -7.824 -13.181 7.522 1.00 0.00 C ATOM 345 O ASP A 24 -8.585 -13.453 8.431 1.00 0.00 O ATOM 346 CB ASP A 24 -5.677 -12.936 8.808 1.00 0.00 C ATOM 347 CG ASP A 24 -6.207 -13.601 10.079 1.00 0.00 C ATOM 348 OD1 ASP A 24 -5.690 -14.645 10.439 1.00 0.00 O ATOM 349 OD2 ASP A 24 -7.122 -13.052 10.672 1.00 0.00 O ATOM 0 H ASP A 24 -5.043 -12.182 6.607 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.301 -14.655 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.595 -13.055 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.879 -11.865 8.834 1.00 0.00 H new ATOM 354 N GLY A 25 -8.242 -12.553 6.458 1.00 0.00 N ATOM 355 CA GLY A 25 -9.673 -12.155 6.340 1.00 0.00 C ATOM 356 C GLY A 25 -9.882 -10.786 6.988 1.00 0.00 C ATOM 357 O GLY A 25 -10.984 -10.276 7.044 1.00 0.00 O ATOM 0 H GLY A 25 -7.654 -12.298 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.965 -12.120 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.308 -12.898 6.823 1.00 0.00 H new ATOM 361 N THR A 26 -8.832 -10.182 7.477 1.00 0.00 N ATOM 362 CA THR A 26 -8.978 -8.844 8.116 1.00 0.00 C ATOM 363 C THR A 26 -9.251 -7.780 7.050 1.00 0.00 C ATOM 364 O THR A 26 -9.709 -8.080 5.966 1.00 0.00 O ATOM 365 CB THR A 26 -7.638 -8.581 8.804 1.00 0.00 C ATOM 366 OG1 THR A 26 -6.651 -8.292 7.823 1.00 0.00 O ATOM 367 CG2 THR A 26 -7.219 -9.816 9.603 1.00 0.00 C ATOM 0 H THR A 26 -7.883 -10.556 7.461 1.00 0.00 H new ATOM 0 HA THR A 26 -9.809 -8.812 8.821 1.00 0.00 H new ATOM 0 HB THR A 26 -7.739 -7.732 9.480 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.391 -7.349 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.264 -9.626 10.092 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.975 -10.036 10.357 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.119 -10.668 8.930 1.00 0.00 H new ATOM 375 N GLU A 27 -8.973 -6.540 7.346 1.00 0.00 N ATOM 376 CA GLU A 27 -9.219 -5.466 6.342 1.00 0.00 C ATOM 377 C GLU A 27 -8.207 -4.331 6.515 1.00 0.00 C ATOM 378 O GLU A 27 -8.021 -3.811 7.598 1.00 0.00 O ATOM 379 CB GLU A 27 -10.636 -4.971 6.631 1.00 0.00 C ATOM 380 CG GLU A 27 -11.533 -5.255 5.426 1.00 0.00 C ATOM 381 CD GLU A 27 -12.978 -5.432 5.895 1.00 0.00 C ATOM 382 OE1 GLU A 27 -13.253 -6.431 6.540 1.00 0.00 O ATOM 383 OE2 GLU A 27 -13.787 -4.568 5.600 1.00 0.00 O ATOM 0 H GLU A 27 -8.588 -6.225 8.236 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.113 -5.828 5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.032 -5.467 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.623 -3.902 6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.470 -4.435 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.194 -6.154 4.911 1.00 0.00 H new ATOM 390 N GLU A 28 -7.556 -3.939 5.454 1.00 0.00 N ATOM 391 CA GLU A 28 -6.564 -2.832 5.551 1.00 0.00 C ATOM 392 C GLU A 28 -6.940 -1.714 4.579 1.00 0.00 C ATOM 393 O GLU A 28 -7.256 -1.958 3.433 1.00 0.00 O ATOM 394 CB GLU A 28 -5.225 -3.461 5.156 1.00 0.00 C ATOM 395 CG GLU A 28 -4.089 -2.745 5.887 1.00 0.00 C ATOM 396 CD GLU A 28 -3.300 -3.757 6.719 1.00 0.00 C ATOM 397 OE1 GLU A 28 -3.030 -4.832 6.210 1.00 0.00 O ATOM 398 OE2 GLU A 28 -2.981 -3.439 7.853 1.00 0.00 O ATOM 0 H GLU A 28 -7.669 -4.339 4.522 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.525 -2.393 6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.221 -4.522 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.081 -3.388 4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.431 -2.257 5.168 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.492 -1.964 6.532 1.00 0.00 H new ATOM 405 N TRP A 29 -6.914 -0.487 5.025 1.00 0.00 N ATOM 406 CA TRP A 29 -7.281 0.639 4.118 1.00 0.00 C ATOM 407 C TRP A 29 -6.142 1.657 4.045 1.00 0.00 C ATOM 408 O TRP A 29 -5.442 1.890 5.011 1.00 0.00 O ATOM 409 CB TRP A 29 -8.525 1.259 4.749 1.00 0.00 C ATOM 410 CG TRP A 29 -9.521 0.177 5.015 1.00 0.00 C ATOM 411 CD1 TRP A 29 -9.697 -0.916 4.241 1.00 0.00 C ATOM 412 CD2 TRP A 29 -10.469 0.060 6.114 1.00 0.00 C ATOM 413 NE1 TRP A 29 -10.693 -1.699 4.792 1.00 0.00 N ATOM 414 CE2 TRP A 29 -11.202 -1.140 5.948 1.00 0.00 C ATOM 415 CE3 TRP A 29 -10.762 0.869 7.227 1.00 0.00 C ATOM 416 CZ2 TRP A 29 -12.191 -1.523 6.855 1.00 0.00 C ATOM 417 CZ3 TRP A 29 -11.758 0.487 8.141 1.00 0.00 C ATOM 418 CH2 TRP A 29 -12.471 -0.707 7.956 1.00 0.00 C ATOM 0 H TRP A 29 -6.656 -0.216 5.974 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.465 0.306 3.096 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.264 1.768 5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.952 2.009 4.083 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -9.148 -1.141 3.338 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -11.013 -2.582 4.394 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.218 1.789 7.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -12.737 -2.443 6.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.976 1.116 8.991 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.235 -0.996 8.663 1.00 0.00 H new ATOM 429 N ARG A 30 -5.950 2.263 2.905 1.00 0.00 N ATOM 430 CA ARG A 30 -4.850 3.263 2.772 1.00 0.00 C ATOM 431 C ARG A 30 -5.245 4.351 1.772 1.00 0.00 C ATOM 432 O ARG A 30 -6.129 4.169 0.959 1.00 0.00 O ATOM 433 CB ARG A 30 -3.654 2.466 2.253 1.00 0.00 C ATOM 434 CG ARG A 30 -2.615 2.315 3.365 1.00 0.00 C ATOM 435 CD ARG A 30 -3.072 1.235 4.350 1.00 0.00 C ATOM 436 NE ARG A 30 -1.951 0.256 4.397 1.00 0.00 N ATOM 437 CZ ARG A 30 -1.829 -0.550 5.415 1.00 0.00 C ATOM 438 NH1 ARG A 30 -2.692 -0.505 6.394 1.00 0.00 N ATOM 439 NH2 ARG A 30 -0.844 -1.404 5.455 1.00 0.00 N ATOM 0 H ARG A 30 -6.504 2.110 2.062 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.628 3.764 3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.980 1.484 1.911 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.212 2.972 1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.648 2.048 2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.483 3.264 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.268 1.657 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.995 0.762 4.016 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.278 0.216 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.464 0.161 6.364 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.595 -1.136 7.189 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.170 -1.441 4.690 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.748 -2.035 6.251 1.00 0.00 H new ATOM 453 N CYS A 31 -4.600 5.484 1.827 1.00 0.00 N ATOM 454 CA CYS A 31 -4.942 6.582 0.877 1.00 0.00 C ATOM 455 C CYS A 31 -3.797 6.803 -0.116 1.00 0.00 C ATOM 456 O CYS A 31 -2.693 6.338 0.082 1.00 0.00 O ATOM 457 CB CYS A 31 -5.140 7.817 1.752 1.00 0.00 C ATOM 458 SG CYS A 31 -6.406 8.878 1.013 1.00 0.00 S ATOM 0 H CYS A 31 -3.852 5.697 2.487 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.830 6.354 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.439 7.520 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.202 8.363 1.847 1.00 0.00 H new ATOM 463 N LEU A 32 -4.056 7.510 -1.181 1.00 0.00 N ATOM 464 CA LEU A 32 -2.984 7.761 -2.188 1.00 0.00 C ATOM 465 C LEU A 32 -1.765 8.401 -1.518 1.00 0.00 C ATOM 466 O LEU A 32 -1.618 8.368 -0.314 1.00 0.00 O ATOM 467 CB LEU A 32 -3.610 8.723 -3.196 1.00 0.00 C ATOM 468 CG LEU A 32 -4.814 8.053 -3.860 1.00 0.00 C ATOM 469 CD1 LEU A 32 -5.721 9.123 -4.473 1.00 0.00 C ATOM 470 CD2 LEU A 32 -4.327 7.107 -4.961 1.00 0.00 C ATOM 0 H LEU A 32 -4.962 7.925 -1.398 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.637 6.842 -2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.921 9.640 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.875 9.005 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.372 7.488 -3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.579 8.645 -4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.067 9.798 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.163 9.689 -5.219 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.184 6.629 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.769 7.673 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.681 6.345 -4.526 1.00 0.00 H new ATOM 482 N LEU A 33 -0.889 8.983 -2.292 1.00 0.00 N ATOM 483 CA LEU A 33 0.318 9.624 -1.700 1.00 0.00 C ATOM 484 C LEU A 33 0.046 11.100 -1.403 1.00 0.00 C ATOM 485 O LEU A 33 0.350 11.597 -0.337 1.00 0.00 O ATOM 486 CB LEU A 33 1.404 9.485 -2.767 1.00 0.00 C ATOM 487 CG LEU A 33 2.755 9.244 -2.094 1.00 0.00 C ATOM 488 CD1 LEU A 33 3.431 8.025 -2.725 1.00 0.00 C ATOM 489 CD2 LEU A 33 3.645 10.472 -2.282 1.00 0.00 C ATOM 0 H LEU A 33 -0.958 9.042 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 33 0.609 9.160 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.167 8.658 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.446 10.387 -3.377 1.00 0.00 H new ATOM 0 HG LEU A 33 2.602 9.065 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.394 7.854 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.798 7.148 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.583 8.204 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.608 10.300 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.797 10.652 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.165 11.341 -1.832 1.00 0.00 H new ATOM 501 N THR A 34 -0.531 11.805 -2.338 1.00 0.00 N ATOM 502 CA THR A 34 -0.825 13.249 -2.109 1.00 0.00 C ATOM 503 C THR A 34 -2.045 13.401 -1.197 1.00 0.00 C ATOM 504 O THR A 34 -2.493 14.496 -0.918 1.00 0.00 O ATOM 505 CB THR A 34 -1.119 13.819 -3.498 1.00 0.00 C ATOM 506 OG1 THR A 34 -0.193 13.285 -4.433 1.00 0.00 O ATOM 507 CG2 THR A 34 -0.991 15.343 -3.464 1.00 0.00 C ATOM 0 H THR A 34 -0.811 11.444 -3.250 1.00 0.00 H new ATOM 0 HA THR A 34 0.002 13.767 -1.623 1.00 0.00 H new ATOM 0 HB THR A 34 -2.132 13.549 -3.795 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.381 13.648 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.201 15.748 -4.454 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.702 15.752 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.021 15.617 -3.167 1.00 0.00 H new ATOM 515 N PHE A 35 -2.588 12.309 -0.730 1.00 0.00 N ATOM 516 CA PHE A 35 -3.779 12.392 0.162 1.00 0.00 C ATOM 517 C PHE A 35 -3.484 11.711 1.502 1.00 0.00 C ATOM 518 O PHE A 35 -2.895 10.649 1.554 1.00 0.00 O ATOM 519 CB PHE A 35 -4.885 11.641 -0.581 1.00 0.00 C ATOM 520 CG PHE A 35 -6.119 12.506 -0.663 1.00 0.00 C ATOM 521 CD1 PHE A 35 -6.024 13.816 -1.149 1.00 0.00 C ATOM 522 CD2 PHE A 35 -7.360 11.998 -0.255 1.00 0.00 C ATOM 523 CE1 PHE A 35 -7.167 14.618 -1.227 1.00 0.00 C ATOM 524 CE2 PHE A 35 -8.504 12.803 -0.333 1.00 0.00 C ATOM 525 CZ PHE A 35 -8.407 14.112 -0.818 1.00 0.00 C ATOM 0 H PHE A 35 -2.258 11.364 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.058 13.423 0.380 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.548 11.375 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.116 10.709 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -5.068 14.207 -1.464 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.434 10.988 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.093 15.628 -1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.461 12.413 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 35 -9.289 14.732 -0.877 1.00 0.00 H new ATOM 535 N LYS A 36 -3.899 12.308 2.586 1.00 0.00 N ATOM 536 CA LYS A 36 -3.649 11.688 3.918 1.00 0.00 C ATOM 537 C LYS A 36 -4.985 11.383 4.599 1.00 0.00 C ATOM 538 O LYS A 36 -5.843 12.235 4.717 1.00 0.00 O ATOM 539 CB LYS A 36 -2.868 12.738 4.710 1.00 0.00 C ATOM 540 CG LYS A 36 -3.613 14.074 4.669 1.00 0.00 C ATOM 541 CD LYS A 36 -2.921 15.072 5.600 1.00 0.00 C ATOM 542 CE LYS A 36 -3.739 16.363 5.665 1.00 0.00 C ATOM 543 NZ LYS A 36 -2.884 17.321 6.421 1.00 0.00 N ATOM 0 H LYS A 36 -4.399 13.197 2.607 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.098 10.750 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.744 12.411 5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.869 12.855 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.630 14.462 3.651 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.650 13.934 4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.818 14.644 6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.915 15.285 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.965 16.738 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.692 16.202 6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.377 18.233 6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.691 16.940 7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.986 17.460 5.914 1.00 0.00 H new ATOM 557 N GLU A 37 -5.174 10.171 5.045 1.00 0.00 N ATOM 558 CA GLU A 37 -6.460 9.818 5.709 1.00 0.00 C ATOM 559 C GLU A 37 -6.330 9.945 7.226 1.00 0.00 C ATOM 560 O GLU A 37 -5.556 9.251 7.856 1.00 0.00 O ATOM 561 CB GLU A 37 -6.724 8.366 5.309 1.00 0.00 C ATOM 562 CG GLU A 37 -7.986 8.295 4.445 1.00 0.00 C ATOM 563 CD GLU A 37 -8.524 6.863 4.443 1.00 0.00 C ATOM 564 OE1 GLU A 37 -7.892 6.013 5.047 1.00 0.00 O ATOM 565 OE2 GLU A 37 -9.561 6.643 3.840 1.00 0.00 O ATOM 0 H GLU A 37 -4.495 9.412 4.978 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.274 10.478 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.871 7.969 4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.845 7.749 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.742 8.978 4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.760 8.611 3.427 1.00 0.00 H new ATOM 572 N GLU A 38 -7.088 10.827 7.820 1.00 0.00 N ATOM 573 CA GLU A 38 -7.014 10.998 9.300 1.00 0.00 C ATOM 574 C GLU A 38 -8.423 10.987 9.902 1.00 0.00 C ATOM 575 O GLU A 38 -9.135 11.969 9.859 1.00 0.00 O ATOM 576 CB GLU A 38 -6.353 12.360 9.508 1.00 0.00 C ATOM 577 CG GLU A 38 -6.986 13.386 8.566 1.00 0.00 C ATOM 578 CD GLU A 38 -6.976 14.764 9.229 1.00 0.00 C ATOM 579 OE1 GLU A 38 -7.395 14.854 10.372 1.00 0.00 O ATOM 580 OE2 GLU A 38 -6.548 15.707 8.585 1.00 0.00 O ATOM 0 H GLU A 38 -7.755 11.436 7.345 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.455 10.196 9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.472 12.679 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.282 12.289 9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.436 13.420 7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.008 13.093 8.327 1.00 0.00 H new ATOM 587 N GLY A 39 -8.829 9.880 10.465 1.00 0.00 N ATOM 588 CA GLY A 39 -10.189 9.808 11.071 1.00 0.00 C ATOM 589 C GLY A 39 -11.140 9.088 10.113 1.00 0.00 C ATOM 590 O GLY A 39 -12.343 9.246 10.182 1.00 0.00 O ATOM 0 H GLY A 39 -8.278 9.024 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.146 9.279 12.023 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.559 10.812 11.280 1.00 0.00 H new ATOM 594 N GLY A 40 -10.610 8.301 9.217 1.00 0.00 N ATOM 595 CA GLY A 40 -11.483 7.573 8.254 1.00 0.00 C ATOM 596 C GLY A 40 -11.704 8.441 7.015 1.00 0.00 C ATOM 597 O GLY A 40 -12.240 7.996 6.020 1.00 0.00 O ATOM 0 H GLY A 40 -9.610 8.131 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.022 6.627 7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.439 7.335 8.720 1.00 0.00 H new ATOM 601 N LYS A 41 -11.288 9.676 7.067 1.00 0.00 N ATOM 602 CA LYS A 41 -11.466 10.577 5.892 1.00 0.00 C ATOM 603 C LYS A 41 -10.099 11.020 5.368 1.00 0.00 C ATOM 604 O LYS A 41 -9.150 11.146 6.115 1.00 0.00 O ATOM 605 CB LYS A 41 -12.252 11.775 6.425 1.00 0.00 C ATOM 606 CG LYS A 41 -13.620 11.309 6.925 1.00 0.00 C ATOM 607 CD LYS A 41 -14.552 12.514 7.057 1.00 0.00 C ATOM 608 CE LYS A 41 -14.231 13.272 8.347 1.00 0.00 C ATOM 609 NZ LYS A 41 -14.826 14.626 8.157 1.00 0.00 N ATOM 0 H LYS A 41 -10.831 10.102 7.874 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.985 10.089 5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -11.701 12.253 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.375 12.521 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.044 10.582 6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.516 10.809 7.888 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.435 13.173 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.591 12.184 7.066 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.658 12.771 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.155 13.333 8.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.647 15.206 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.395 15.081 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.852 14.537 8.009 1.00 0.00 H new ATOM 623 N CYS A 42 -9.984 11.255 4.089 1.00 0.00 N ATOM 624 CA CYS A 42 -8.669 11.685 3.534 1.00 0.00 C ATOM 625 C CYS A 42 -8.748 13.116 3.005 1.00 0.00 C ATOM 626 O CYS A 42 -9.765 13.554 2.507 1.00 0.00 O ATOM 627 CB CYS A 42 -8.374 10.709 2.398 1.00 0.00 C ATOM 628 SG CYS A 42 -6.589 10.413 2.311 1.00 0.00 S ATOM 0 H CYS A 42 -10.739 11.169 3.408 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.887 11.676 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.902 9.770 2.564 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.733 11.115 1.452 1.00 0.00 H new ATOM 633 N VAL A 43 -7.673 13.844 3.114 1.00 0.00 N ATOM 634 CA VAL A 43 -7.666 15.250 2.622 1.00 0.00 C ATOM 635 C VAL A 43 -6.374 15.520 1.846 1.00 0.00 C ATOM 636 O VAL A 43 -5.444 14.743 1.909 1.00 0.00 O ATOM 637 CB VAL A 43 -7.718 16.108 3.887 1.00 0.00 C ATOM 638 CG1 VAL A 43 -8.781 15.554 4.837 1.00 0.00 C ATOM 639 CG2 VAL A 43 -6.351 16.076 4.579 1.00 0.00 C ATOM 0 H VAL A 43 -6.795 13.525 3.524 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.497 15.463 1.950 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.969 17.135 3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.818 16.166 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.754 15.573 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.530 14.528 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.385 16.687 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.102 15.049 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.592 16.469 3.903 1.00 0.00 H new ATOM 649 N PRO A 44 -6.356 16.618 1.145 1.00 0.00 N ATOM 650 CA PRO A 44 -5.157 16.990 0.361 1.00 0.00 C ATOM 651 C PRO A 44 -3.937 17.040 1.284 1.00 0.00 C ATOM 652 O PRO A 44 -4.008 17.522 2.396 1.00 0.00 O ATOM 653 CB PRO A 44 -5.479 18.381 -0.194 1.00 0.00 C ATOM 654 CG PRO A 44 -6.723 18.833 0.512 1.00 0.00 C ATOM 655 CD PRO A 44 -7.429 17.604 1.017 1.00 0.00 C ATOM 0 HA PRO A 44 -4.927 16.280 -0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.656 19.072 -0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.634 18.344 -1.272 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.474 19.499 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.367 19.393 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.920 17.788 1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.199 17.270 0.322 1.00 0.00 H new ATOM 663 N ALA A 45 -2.819 16.542 0.834 1.00 0.00 N ATOM 664 CA ALA A 45 -1.601 16.561 1.694 1.00 0.00 C ATOM 665 C ALA A 45 -0.523 17.448 1.067 1.00 0.00 C ATOM 666 O ALA A 45 -0.174 18.484 1.599 1.00 0.00 O ATOM 667 CB ALA A 45 -1.133 15.106 1.750 1.00 0.00 C ATOM 0 H ALA A 45 -2.695 16.124 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.803 16.963 2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.237 15.035 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.920 14.487 2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.908 14.757 0.742 1.00 0.00 H new ATOM 673 N SER A 46 0.007 17.047 -0.057 1.00 0.00 N ATOM 674 CA SER A 46 1.064 17.866 -0.722 1.00 0.00 C ATOM 675 C SER A 46 2.380 17.776 0.057 1.00 0.00 C ATOM 676 O SER A 46 3.420 17.474 -0.495 1.00 0.00 O ATOM 677 CB SER A 46 0.531 19.298 -0.711 1.00 0.00 C ATOM 678 OG SER A 46 1.023 19.991 -1.851 1.00 0.00 O ATOM 0 H SER A 46 -0.246 16.187 -0.545 1.00 0.00 H new ATOM 0 HA SER A 46 1.272 17.519 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.559 19.293 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.842 19.807 0.201 1.00 0.00 H new ATOM 0 HG SER A 46 0.682 20.910 -1.848 1.00 0.00 H new ATOM 684 N ASN A 47 2.345 18.036 1.336 1.00 0.00 N ATOM 685 CA ASN A 47 3.597 17.967 2.145 1.00 0.00 C ATOM 686 C ASN A 47 4.078 16.516 2.267 1.00 0.00 C ATOM 687 O ASN A 47 5.117 16.245 2.834 1.00 0.00 O ATOM 688 CB ASN A 47 3.213 18.522 3.517 1.00 0.00 C ATOM 689 CG ASN A 47 3.235 20.052 3.474 1.00 0.00 C ATOM 690 OD1 ASN A 47 3.365 20.697 4.495 1.00 0.00 O ATOM 691 ND2 ASN A 47 3.116 20.662 2.327 1.00 0.00 N ATOM 0 H ASN A 47 1.506 18.293 1.855 1.00 0.00 H new ATOM 0 HA ASN A 47 4.411 18.530 1.689 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.221 18.170 3.799 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.907 18.159 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 47 3.132 21.681 2.287 1.00 0.00 H new ATOM 0 HD22 ASN A 47 3.007 20.120 1.470 1.00 0.00 H new ATOM 698 N VAL A 48 3.331 15.582 1.742 1.00 0.00 N ATOM 699 CA VAL A 48 3.754 14.154 1.831 1.00 0.00 C ATOM 700 C VAL A 48 5.153 13.981 1.236 1.00 0.00 C ATOM 701 O VAL A 48 5.451 14.483 0.171 1.00 0.00 O ATOM 702 CB VAL A 48 2.723 13.381 1.010 1.00 0.00 C ATOM 703 CG1 VAL A 48 3.215 11.949 0.795 1.00 0.00 C ATOM 704 CG2 VAL A 48 1.389 13.353 1.761 1.00 0.00 C ATOM 0 H VAL A 48 2.449 15.745 1.257 1.00 0.00 H new ATOM 0 HA VAL A 48 3.800 13.801 2.861 1.00 0.00 H new ATOM 0 HB VAL A 48 2.587 13.869 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.481 11.396 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.165 11.967 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.350 11.462 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.653 12.802 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.525 12.864 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.038 14.373 1.917 1.00 0.00 H new ATOM 714 N THR A 49 6.014 13.276 1.918 1.00 0.00 N ATOM 715 CA THR A 49 7.396 13.074 1.391 1.00 0.00 C ATOM 716 C THR A 49 8.230 12.278 2.394 1.00 0.00 C ATOM 717 O THR A 49 7.886 12.168 3.553 1.00 0.00 O ATOM 718 CB THR A 49 7.963 14.485 1.223 1.00 0.00 C ATOM 719 OG1 THR A 49 7.164 15.405 1.954 1.00 0.00 O ATOM 720 CG2 THR A 49 7.959 14.866 -0.257 1.00 0.00 C ATOM 0 H THR A 49 5.822 12.831 2.816 1.00 0.00 H new ATOM 0 HA THR A 49 7.406 12.516 0.455 1.00 0.00 H new ATOM 0 HB THR A 49 8.986 14.513 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.169 15.161 2.903 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.363 15.871 -0.375 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.573 14.160 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.938 14.839 -0.637 1.00 0.00 H new ATOM 728 N CYS A 50 9.326 11.717 1.955 1.00 0.00 N ATOM 729 CA CYS A 50 10.183 10.927 2.890 1.00 0.00 C ATOM 730 C CYS A 50 10.224 11.606 4.261 1.00 0.00 C ATOM 731 O CYS A 50 10.267 10.956 5.287 1.00 0.00 O ATOM 732 CB CYS A 50 11.577 10.920 2.259 1.00 0.00 C ATOM 733 SG CYS A 50 11.746 9.495 1.155 1.00 0.00 S ATOM 0 H CYS A 50 9.664 11.771 0.994 1.00 0.00 H new ATOM 0 HA CYS A 50 9.803 9.916 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.739 11.843 1.703 1.00 0.00 H new ATOM 0 HB3 CYS A 50 12.338 10.880 3.038 1.00 0.00 H new ATOM 738 N LYS A 51 10.208 12.913 4.285 1.00 0.00 N ATOM 739 CA LYS A 51 10.242 13.635 5.590 1.00 0.00 C ATOM 740 C LYS A 51 9.106 13.146 6.489 1.00 0.00 C ATOM 741 O LYS A 51 9.297 12.879 7.660 1.00 0.00 O ATOM 742 CB LYS A 51 10.050 15.109 5.232 1.00 0.00 C ATOM 743 CG LYS A 51 11.412 15.754 4.973 1.00 0.00 C ATOM 744 CD LYS A 51 12.014 16.224 6.298 1.00 0.00 C ATOM 745 CE LYS A 51 13.443 16.721 6.063 1.00 0.00 C ATOM 746 NZ LYS A 51 13.324 17.733 4.978 1.00 0.00 N ATOM 0 H LYS A 51 10.173 13.510 3.459 1.00 0.00 H new ATOM 0 HA LYS A 51 11.172 13.468 6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.419 15.200 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.539 15.627 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.079 15.039 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.303 16.597 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.406 17.022 6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.016 15.406 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.862 17.160 6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.102 15.904 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.117 18.403 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.346 17.256 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.426 18.248 5.081 1.00 0.00 H new ATOM 760 N ASP A 52 7.923 13.022 5.951 1.00 0.00 N ATOM 761 CA ASP A 52 6.777 12.542 6.773 1.00 0.00 C ATOM 762 C ASP A 52 6.791 11.012 6.833 1.00 0.00 C ATOM 763 O ASP A 52 7.821 10.403 7.049 1.00 0.00 O ATOM 764 CB ASP A 52 5.529 13.045 6.045 1.00 0.00 C ATOM 765 CG ASP A 52 5.623 14.561 5.858 1.00 0.00 C ATOM 766 OD1 ASP A 52 6.637 15.012 5.352 1.00 0.00 O ATOM 767 OD2 ASP A 52 4.680 15.242 6.222 1.00 0.00 O ATOM 0 H ASP A 52 7.701 13.232 4.978 1.00 0.00 H new ATOM 0 HA ASP A 52 6.816 12.904 7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.437 12.553 5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.636 12.793 6.616 1.00 0.00 H new ATOM 772 N ASN A 53 5.667 10.382 6.630 1.00 0.00 N ATOM 773 CA ASN A 53 5.642 8.900 6.661 1.00 0.00 C ATOM 774 C ASN A 53 5.871 8.365 5.252 1.00 0.00 C ATOM 775 O ASN A 53 5.033 8.492 4.382 1.00 0.00 O ATOM 776 CB ASN A 53 4.242 8.535 7.158 1.00 0.00 C ATOM 777 CG ASN A 53 3.950 9.284 8.460 1.00 0.00 C ATOM 778 OD1 ASN A 53 4.812 9.414 9.305 1.00 0.00 O ATOM 779 ND2 ASN A 53 2.762 9.784 8.657 1.00 0.00 N ATOM 0 H ASN A 53 4.770 10.831 6.445 1.00 0.00 H new ATOM 0 HA ASN A 53 6.415 8.476 7.302 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.498 8.792 6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.172 7.460 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.556 10.285 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.038 9.674 7.947 1.00 0.00 H new ATOM 786 N ASN A 54 7.002 7.769 5.038 1.00 0.00 N ATOM 787 CA ASN A 54 7.335 7.207 3.693 1.00 0.00 C ATOM 788 C ASN A 54 6.636 8.001 2.582 1.00 0.00 C ATOM 789 O ASN A 54 6.200 7.447 1.593 1.00 0.00 O ATOM 790 CB ASN A 54 6.829 5.766 3.730 1.00 0.00 C ATOM 791 CG ASN A 54 7.847 4.857 3.041 1.00 0.00 C ATOM 792 OD1 ASN A 54 9.010 4.853 3.389 1.00 0.00 O ATOM 793 ND2 ASN A 54 7.451 4.074 2.075 1.00 0.00 N ATOM 0 H ASN A 54 7.727 7.642 5.744 1.00 0.00 H new ATOM 0 HA ASN A 54 8.403 7.260 3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.679 5.447 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.863 5.694 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.119 3.458 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.474 4.078 1.783 1.00 0.00 H new ATOM 800 N GLY A 55 6.528 9.295 2.738 1.00 0.00 N ATOM 801 CA GLY A 55 5.859 10.129 1.694 1.00 0.00 C ATOM 802 C GLY A 55 4.652 9.374 1.133 1.00 0.00 C ATOM 803 O GLY A 55 4.360 9.445 -0.044 1.00 0.00 O ATOM 0 H GLY A 55 6.875 9.812 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.540 11.079 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.561 10.360 0.893 1.00 0.00 H new ATOM 807 N GLY A 56 3.952 8.645 1.961 1.00 0.00 N ATOM 808 CA GLY A 56 2.772 7.882 1.466 1.00 0.00 C ATOM 809 C GLY A 56 3.256 6.792 0.514 1.00 0.00 C ATOM 810 O GLY A 56 2.677 6.556 -0.527 1.00 0.00 O ATOM 0 H GLY A 56 4.147 8.546 2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.231 7.440 2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.078 8.549 0.954 1.00 0.00 H new ATOM 814 N CYS A 57 4.326 6.133 0.862 1.00 0.00 N ATOM 815 CA CYS A 57 4.866 5.065 -0.025 1.00 0.00 C ATOM 816 C CYS A 57 4.664 3.682 0.604 1.00 0.00 C ATOM 817 O CYS A 57 5.028 2.676 0.030 1.00 0.00 O ATOM 818 CB CYS A 57 6.355 5.382 -0.151 1.00 0.00 C ATOM 819 SG CYS A 57 7.193 3.992 -0.944 1.00 0.00 S ATOM 0 H CYS A 57 4.850 6.288 1.723 1.00 0.00 H new ATOM 0 HA CYS A 57 4.363 5.042 -0.992 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.497 6.290 -0.737 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.784 5.567 0.834 1.00 0.00 H new ATOM 824 N ALA A 58 4.094 3.626 1.782 1.00 0.00 N ATOM 825 CA ALA A 58 3.871 2.308 2.456 1.00 0.00 C ATOM 826 C ALA A 58 5.130 1.880 3.218 1.00 0.00 C ATOM 827 O ALA A 58 6.236 2.114 2.772 1.00 0.00 O ATOM 828 CB ALA A 58 3.558 1.315 1.333 1.00 0.00 C ATOM 0 H ALA A 58 3.772 4.438 2.308 1.00 0.00 H new ATOM 0 HA ALA A 58 3.060 2.358 3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.384 0.327 1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.667 1.641 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.400 1.269 0.643 1.00 0.00 H new ATOM 834 N PRO A 59 4.913 1.266 4.351 1.00 0.00 N ATOM 835 CA PRO A 59 6.042 0.800 5.197 1.00 0.00 C ATOM 836 C PRO A 59 6.825 -0.313 4.493 1.00 0.00 C ATOM 837 O PRO A 59 8.039 -0.348 4.531 1.00 0.00 O ATOM 838 CB PRO A 59 5.365 0.269 6.460 1.00 0.00 C ATOM 839 CG PRO A 59 3.938 0.021 6.077 1.00 0.00 C ATOM 840 CD PRO A 59 3.611 0.954 4.942 1.00 0.00 C ATOM 0 HA PRO A 59 6.762 1.591 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.843 -0.648 6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.433 0.990 7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 59 3.796 -1.017 5.775 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.276 0.200 6.924 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.947 0.483 4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.109 1.854 5.297 1.00 0.00 H new ATOM 848 N GLU A 60 6.144 -1.222 3.851 1.00 0.00 N ATOM 849 CA GLU A 60 6.857 -2.329 3.149 1.00 0.00 C ATOM 850 C GLU A 60 7.627 -1.779 1.945 1.00 0.00 C ATOM 851 O GLU A 60 8.349 -2.492 1.278 1.00 0.00 O ATOM 852 CB GLU A 60 5.753 -3.283 2.690 1.00 0.00 C ATOM 853 CG GLU A 60 5.682 -4.478 3.643 1.00 0.00 C ATOM 854 CD GLU A 60 4.990 -4.056 4.941 1.00 0.00 C ATOM 855 OE1 GLU A 60 4.247 -3.090 4.905 1.00 0.00 O ATOM 856 OE2 GLU A 60 5.216 -4.706 5.948 1.00 0.00 O ATOM 0 H GLU A 60 5.127 -1.247 3.782 1.00 0.00 H new ATOM 0 HA GLU A 60 7.584 -2.827 3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.795 -2.764 2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.953 -3.625 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.134 -5.297 3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.685 -4.846 3.857 1.00 0.00 H new ATOM 863 N ALA A 61 7.474 -0.515 1.663 1.00 0.00 N ATOM 864 CA ALA A 61 8.192 0.089 0.504 1.00 0.00 C ATOM 865 C ALA A 61 9.157 1.175 0.989 1.00 0.00 C ATOM 866 O ALA A 61 8.945 1.797 2.012 1.00 0.00 O ATOM 867 CB ALA A 61 7.093 0.698 -0.367 1.00 0.00 C ATOM 0 H ALA A 61 6.881 0.128 2.187 1.00 0.00 H new ATOM 0 HA ALA A 61 8.787 -0.643 -0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.541 1.164 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.404 -0.085 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.549 1.449 0.206 1.00 0.00 H new ATOM 873 N GLU A 62 10.215 1.407 0.262 1.00 0.00 N ATOM 874 CA GLU A 62 11.195 2.451 0.680 1.00 0.00 C ATOM 875 C GLU A 62 10.814 3.797 0.058 1.00 0.00 C ATOM 876 O GLU A 62 10.293 3.858 -1.037 1.00 0.00 O ATOM 877 CB GLU A 62 12.542 1.971 0.140 1.00 0.00 C ATOM 878 CG GLU A 62 12.915 0.643 0.803 1.00 0.00 C ATOM 879 CD GLU A 62 14.037 -0.027 0.008 1.00 0.00 C ATOM 880 OE1 GLU A 62 14.345 0.457 -1.068 1.00 0.00 O ATOM 881 OE2 GLU A 62 14.568 -1.014 0.490 1.00 0.00 O ATOM 0 H GLU A 62 10.444 0.919 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 62 11.221 2.591 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.489 1.847 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.312 2.717 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.236 0.815 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.044 -0.011 0.846 1.00 0.00 H new ATOM 888 N CYS A 63 11.052 4.877 0.754 1.00 0.00 N ATOM 889 CA CYS A 63 10.681 6.207 0.198 1.00 0.00 C ATOM 890 C CYS A 63 11.916 6.925 -0.355 1.00 0.00 C ATOM 891 O CYS A 63 12.878 7.180 0.341 1.00 0.00 O ATOM 892 CB CYS A 63 10.057 6.977 1.376 1.00 0.00 C ATOM 893 SG CYS A 63 11.325 7.887 2.305 1.00 0.00 S ATOM 0 H CYS A 63 11.485 4.894 1.678 1.00 0.00 H new ATOM 0 HA CYS A 63 9.984 6.126 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.305 7.673 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.545 6.280 2.040 1.00 0.00 H new ATOM 898 N LYS A 64 11.882 7.254 -1.615 1.00 0.00 N ATOM 899 CA LYS A 64 13.028 7.968 -2.241 1.00 0.00 C ATOM 900 C LYS A 64 12.623 9.420 -2.495 1.00 0.00 C ATOM 901 O LYS A 64 11.489 9.706 -2.798 1.00 0.00 O ATOM 902 CB LYS A 64 13.283 7.238 -3.561 1.00 0.00 C ATOM 903 CG LYS A 64 14.739 6.770 -3.613 1.00 0.00 C ATOM 904 CD LYS A 64 15.581 7.798 -4.371 1.00 0.00 C ATOM 905 CE LYS A 64 15.069 7.919 -5.808 1.00 0.00 C ATOM 906 NZ LYS A 64 16.257 8.335 -6.605 1.00 0.00 N ATOM 0 H LYS A 64 11.103 7.057 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 64 13.921 7.975 -1.616 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.612 6.384 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.072 7.900 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.127 6.641 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.802 5.799 -4.105 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.528 8.766 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.628 7.497 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.666 6.971 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.267 8.654 -5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 15.986 8.439 -7.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.615 9.243 -6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.001 7.613 -6.522 1.00 0.00 H new ATOM 920 N MET A 65 13.524 10.344 -2.362 1.00 0.00 N ATOM 921 CA MET A 65 13.140 11.765 -2.582 1.00 0.00 C ATOM 922 C MET A 65 13.565 12.246 -3.967 1.00 0.00 C ATOM 923 O MET A 65 14.566 11.823 -4.511 1.00 0.00 O ATOM 924 CB MET A 65 13.854 12.558 -1.491 1.00 0.00 C ATOM 925 CG MET A 65 13.031 13.809 -1.185 1.00 0.00 C ATOM 926 SD MET A 65 12.649 13.873 0.581 1.00 0.00 S ATOM 927 CE MET A 65 10.956 14.490 0.411 1.00 0.00 C ATOM 0 H MET A 65 14.500 10.184 -2.113 1.00 0.00 H new ATOM 0 HA MET A 65 12.059 11.894 -2.534 1.00 0.00 H new ATOM 0 HB2 MET A 65 13.968 11.950 -0.593 1.00 0.00 H new ATOM 0 HB3 MET A 65 14.856 12.834 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 65 13.584 14.701 -1.479 1.00 0.00 H new ATOM 0 HG3 MET A 65 12.109 13.800 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 65 10.705 15.107 1.274 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.876 15.087 -0.498 1.00 0.00 H new ATOM 0 HE3 MET A 65 10.266 13.648 0.355 1.00 0.00 H new ATOM 937 N THR A 66 12.803 13.140 -4.533 1.00 0.00 N ATOM 938 CA THR A 66 13.139 13.675 -5.879 1.00 0.00 C ATOM 939 C THR A 66 14.354 14.587 -5.760 1.00 0.00 C ATOM 940 O THR A 66 14.952 14.698 -4.707 1.00 0.00 O ATOM 941 CB THR A 66 11.909 14.466 -6.325 1.00 0.00 C ATOM 942 OG1 THR A 66 11.480 15.310 -5.266 1.00 0.00 O ATOM 943 CG2 THR A 66 10.785 13.500 -6.700 1.00 0.00 C ATOM 0 H THR A 66 11.955 13.525 -4.116 1.00 0.00 H new ATOM 0 HA THR A 66 13.381 12.891 -6.596 1.00 0.00 H new ATOM 0 HB THR A 66 12.164 15.074 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.661 16.245 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.909 14.066 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.116 12.856 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.527 12.888 -5.835 1.00 0.00 H new ATOM 951 N ASP A 67 14.750 15.218 -6.823 1.00 0.00 N ATOM 952 CA ASP A 67 15.953 16.090 -6.742 1.00 0.00 C ATOM 953 C ASP A 67 15.833 17.046 -5.552 1.00 0.00 C ATOM 954 O ASP A 67 16.811 17.623 -5.119 1.00 0.00 O ATOM 955 CB ASP A 67 15.965 16.869 -8.057 1.00 0.00 C ATOM 956 CG ASP A 67 17.348 16.765 -8.702 1.00 0.00 C ATOM 957 OD1 ASP A 67 18.298 16.502 -7.981 1.00 0.00 O ATOM 958 OD2 ASP A 67 17.435 16.947 -9.904 1.00 0.00 O ATOM 0 H ASP A 67 14.300 15.171 -7.737 1.00 0.00 H new ATOM 0 HA ASP A 67 16.870 15.518 -6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.207 16.473 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.715 17.914 -7.875 1.00 0.00 H new ATOM 963 N SER A 68 14.652 17.203 -5.001 1.00 0.00 N ATOM 964 CA SER A 68 14.492 18.103 -3.824 1.00 0.00 C ATOM 965 C SER A 68 13.026 18.503 -3.663 1.00 0.00 C ATOM 966 O SER A 68 12.699 19.673 -3.662 1.00 0.00 O ATOM 967 CB SER A 68 15.345 19.337 -4.130 1.00 0.00 C ATOM 968 OG SER A 68 14.839 20.452 -3.406 1.00 0.00 O ATOM 0 H SER A 68 13.797 16.746 -5.318 1.00 0.00 H new ATOM 0 HA SER A 68 14.801 17.617 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.384 19.152 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.330 19.547 -5.200 1.00 0.00 H new ATOM 0 HG SER A 68 13.927 20.649 -3.705 1.00 0.00 H new ATOM 974 N ASN A 69 12.129 17.559 -3.524 1.00 0.00 N ATOM 975 CA ASN A 69 10.707 17.967 -3.363 1.00 0.00 C ATOM 976 C ASN A 69 9.743 16.782 -3.200 1.00 0.00 C ATOM 977 O ASN A 69 9.183 16.576 -2.141 1.00 0.00 O ATOM 978 CB ASN A 69 10.379 18.739 -4.640 1.00 0.00 C ATOM 979 CG ASN A 69 9.680 20.050 -4.277 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.592 20.322 -4.745 1.00 0.00 O ATOM 981 ND2 ASN A 69 10.262 20.882 -3.456 1.00 0.00 N ATOM 0 H ASN A 69 12.313 16.556 -3.515 1.00 0.00 H new ATOM 0 HA ASN A 69 10.584 18.554 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.292 18.944 -5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.738 18.139 -5.286 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.803 21.759 -3.208 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.175 20.655 -3.062 1.00 0.00 H new ATOM 988 N LYS A 70 9.493 16.042 -4.245 1.00 0.00 N ATOM 989 CA LYS A 70 8.506 14.923 -4.149 1.00 0.00 C ATOM 990 C LYS A 70 9.144 13.595 -3.739 1.00 0.00 C ATOM 991 O LYS A 70 10.261 13.280 -4.100 1.00 0.00 O ATOM 992 CB LYS A 70 7.922 14.811 -5.557 1.00 0.00 C ATOM 993 CG LYS A 70 6.645 15.648 -5.649 1.00 0.00 C ATOM 994 CD LYS A 70 6.913 17.055 -5.110 1.00 0.00 C ATOM 995 CE LYS A 70 6.490 17.128 -3.640 1.00 0.00 C ATOM 996 NZ LYS A 70 6.018 18.528 -3.444 1.00 0.00 N ATOM 0 H LYS A 70 9.927 16.161 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 70 7.761 15.130 -3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.649 15.156 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.704 13.769 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.308 15.702 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.846 15.175 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.971 17.298 -5.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.362 17.791 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.699 16.410 -3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.324 16.896 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.872 18.706 -2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.731 19.190 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.122 18.667 -3.953 1.00 0.00 H new ATOM 1010 N ILE A 71 8.414 12.808 -2.989 1.00 0.00 N ATOM 1011 CA ILE A 71 8.923 11.485 -2.542 1.00 0.00 C ATOM 1012 C ILE A 71 8.598 10.404 -3.582 1.00 0.00 C ATOM 1013 O ILE A 71 7.479 10.287 -4.040 1.00 0.00 O ATOM 1014 CB ILE A 71 8.162 11.203 -1.247 1.00 0.00 C ATOM 1015 CG1 ILE A 71 8.314 9.731 -0.872 1.00 0.00 C ATOM 1016 CG2 ILE A 71 6.676 11.514 -1.448 1.00 0.00 C ATOM 1017 CD1 ILE A 71 9.772 9.324 -1.037 1.00 0.00 C ATOM 0 H ILE A 71 7.474 13.034 -2.665 1.00 0.00 H new ATOM 0 HA ILE A 71 10.005 11.484 -2.407 1.00 0.00 H new ATOM 0 HB ILE A 71 8.567 11.829 -0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.993 9.570 0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.677 9.114 -1.505 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.134 11.313 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.557 12.564 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.278 10.887 -2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.889 8.273 -0.771 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.076 9.472 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.396 9.935 -0.385 1.00 0.00 H new ATOM 1029 N VAL A 72 9.560 9.599 -3.934 1.00 0.00 N ATOM 1030 CA VAL A 72 9.307 8.506 -4.915 1.00 0.00 C ATOM 1031 C VAL A 72 9.110 7.195 -4.150 1.00 0.00 C ATOM 1032 O VAL A 72 9.783 6.937 -3.172 1.00 0.00 O ATOM 1033 CB VAL A 72 10.566 8.444 -5.781 1.00 0.00 C ATOM 1034 CG1 VAL A 72 10.377 7.397 -6.882 1.00 0.00 C ATOM 1035 CG2 VAL A 72 10.814 9.814 -6.417 1.00 0.00 C ATOM 0 H VAL A 72 10.516 9.651 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 72 8.418 8.674 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 72 11.420 8.170 -5.162 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.274 7.352 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.199 6.421 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.523 7.671 -7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.711 9.771 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.960 10.088 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.948 10.560 -5.634 1.00 0.00 H new ATOM 1045 N CYS A 73 8.183 6.376 -4.561 1.00 0.00 N ATOM 1046 CA CYS A 73 7.950 5.105 -3.818 1.00 0.00 C ATOM 1047 C CYS A 73 8.505 3.896 -4.574 1.00 0.00 C ATOM 1048 O CYS A 73 8.316 3.747 -5.765 1.00 0.00 O ATOM 1049 CB CYS A 73 6.435 4.986 -3.687 1.00 0.00 C ATOM 1050 SG CYS A 73 6.050 3.618 -2.569 1.00 0.00 S ATOM 0 H CYS A 73 7.582 6.528 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 73 8.455 5.121 -2.852 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.016 5.916 -3.303 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.985 4.812 -4.664 1.00 0.00 H new ATOM 1055 N LYS A 74 9.174 3.021 -3.873 1.00 0.00 N ATOM 1056 CA LYS A 74 9.730 1.800 -4.516 1.00 0.00 C ATOM 1057 C LYS A 74 9.601 0.615 -3.553 1.00 0.00 C ATOM 1058 O LYS A 74 10.172 0.614 -2.482 1.00 0.00 O ATOM 1059 CB LYS A 74 11.201 2.121 -4.783 1.00 0.00 C ATOM 1060 CG LYS A 74 11.972 0.822 -5.025 1.00 0.00 C ATOM 1061 CD LYS A 74 13.437 1.146 -5.321 1.00 0.00 C ATOM 1062 CE LYS A 74 14.180 1.400 -4.008 1.00 0.00 C ATOM 1063 NZ LYS A 74 15.473 2.020 -4.412 1.00 0.00 N ATOM 0 H LYS A 74 9.360 3.102 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 74 9.207 1.533 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.290 2.776 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.627 2.656 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.901 0.176 -4.150 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.533 0.276 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.901 0.320 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.503 2.023 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.612 2.062 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.341 0.472 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 16.040 2.224 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.995 1.364 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.288 2.905 -4.926 1.00 0.00 H new ATOM 1077 N CYS A 75 8.853 -0.390 -3.919 1.00 0.00 N ATOM 1078 CA CYS A 75 8.695 -1.562 -3.011 1.00 0.00 C ATOM 1079 C CYS A 75 9.216 -2.831 -3.685 1.00 0.00 C ATOM 1080 O CYS A 75 8.850 -3.152 -4.798 1.00 0.00 O ATOM 1081 CB CYS A 75 7.192 -1.670 -2.749 1.00 0.00 C ATOM 1082 SG CYS A 75 6.916 -2.198 -1.040 1.00 0.00 S ATOM 0 H CYS A 75 8.347 -0.451 -4.802 1.00 0.00 H new ATOM 0 HA CYS A 75 9.259 -1.441 -2.086 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.711 -0.708 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 75 6.742 -2.384 -3.439 1.00 0.00 H new ATOM 1087 N THR A 76 10.069 -3.554 -3.016 1.00 0.00 N ATOM 1088 CA THR A 76 10.615 -4.806 -3.616 1.00 0.00 C ATOM 1089 C THR A 76 11.042 -5.777 -2.512 1.00 0.00 C ATOM 1090 O THR A 76 12.121 -6.333 -2.543 1.00 0.00 O ATOM 1091 CB THR A 76 11.828 -4.358 -4.434 1.00 0.00 C ATOM 1092 OG1 THR A 76 12.646 -5.484 -4.721 1.00 0.00 O ATOM 1093 CG2 THR A 76 12.635 -3.330 -3.638 1.00 0.00 C ATOM 0 H THR A 76 10.412 -3.334 -2.081 1.00 0.00 H new ATOM 0 HA THR A 76 9.879 -5.325 -4.230 1.00 0.00 H new ATOM 0 HB THR A 76 11.489 -3.906 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.001 -5.852 -3.885 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.498 -3.013 -4.223 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.008 -2.466 -3.419 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.975 -3.778 -2.704 1.00 0.00 H new ATOM 1101 N LYS A 77 10.199 -5.986 -1.537 1.00 0.00 N ATOM 1102 CA LYS A 77 10.555 -6.922 -0.432 1.00 0.00 C ATOM 1103 C LYS A 77 10.441 -8.372 -0.911 1.00 0.00 C ATOM 1104 O LYS A 77 9.770 -9.185 -0.304 1.00 0.00 O ATOM 1105 CB LYS A 77 9.535 -6.640 0.671 1.00 0.00 C ATOM 1106 CG LYS A 77 9.942 -7.380 1.945 1.00 0.00 C ATOM 1107 CD LYS A 77 8.846 -7.218 3.001 1.00 0.00 C ATOM 1108 CE LYS A 77 8.980 -8.324 4.050 1.00 0.00 C ATOM 1109 NZ LYS A 77 10.262 -8.037 4.751 1.00 0.00 N ATOM 0 H LYS A 77 9.280 -5.550 -1.458 1.00 0.00 H new ATOM 0 HA LYS A 77 11.579 -6.781 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.478 -5.569 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.543 -6.960 0.353 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.101 -8.437 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.886 -6.986 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.926 -6.240 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.864 -7.265 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.140 -8.313 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.997 -9.309 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.282 -8.544 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.058 -8.352 4.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.342 -7.015 4.923 1.00 0.00 H new ATOM 1123 N GLU A 78 11.089 -8.704 -1.993 1.00 0.00 N ATOM 1124 CA GLU A 78 11.018 -10.101 -2.510 1.00 0.00 C ATOM 1125 C GLU A 78 9.599 -10.413 -2.999 1.00 0.00 C ATOM 1126 O GLU A 78 8.731 -10.769 -2.227 1.00 0.00 O ATOM 1127 CB GLU A 78 11.380 -10.984 -1.315 1.00 0.00 C ATOM 1128 CG GLU A 78 11.890 -12.337 -1.816 1.00 0.00 C ATOM 1129 CD GLU A 78 12.313 -13.197 -0.623 1.00 0.00 C ATOM 1130 OE1 GLU A 78 13.468 -13.118 -0.239 1.00 0.00 O ATOM 1131 OE2 GLU A 78 11.473 -13.921 -0.115 1.00 0.00 O ATOM 0 H GLU A 78 11.666 -8.068 -2.543 1.00 0.00 H new ATOM 0 HA GLU A 78 11.687 -10.264 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.144 -10.498 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.508 -11.126 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 78 11.110 -12.844 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.734 -12.192 -2.491 1.00 0.00 H new ATOM 1138 N GLY A 79 9.360 -10.282 -4.275 1.00 0.00 N ATOM 1139 CA GLY A 79 8.001 -10.572 -4.812 1.00 0.00 C ATOM 1140 C GLY A 79 7.032 -9.469 -4.379 1.00 0.00 C ATOM 1141 O GLY A 79 5.834 -9.665 -4.333 1.00 0.00 O ATOM 0 H GLY A 79 10.047 -9.987 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.034 -10.634 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.654 -11.539 -4.448 1.00 0.00 H new ATOM 1145 N SER A 80 7.541 -8.311 -4.058 1.00 0.00 N ATOM 1146 CA SER A 80 6.646 -7.198 -3.627 1.00 0.00 C ATOM 1147 C SER A 80 6.328 -6.283 -4.812 1.00 0.00 C ATOM 1148 O SER A 80 7.179 -5.990 -5.630 1.00 0.00 O ATOM 1149 CB SER A 80 7.443 -6.443 -2.562 1.00 0.00 C ATOM 1150 OG SER A 80 7.526 -5.070 -2.922 1.00 0.00 O ATOM 0 H SER A 80 8.536 -8.087 -4.075 1.00 0.00 H new ATOM 0 HA SER A 80 5.692 -7.559 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.962 -6.547 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 80 8.443 -6.868 -2.470 1.00 0.00 H new ATOM 0 HG SER A 80 6.908 -4.549 -2.368 1.00 0.00 H new ATOM 1156 N GLU A 81 5.108 -5.831 -4.914 1.00 0.00 N ATOM 1157 CA GLU A 81 4.735 -4.934 -6.047 1.00 0.00 C ATOM 1158 C GLU A 81 3.844 -3.792 -5.551 1.00 0.00 C ATOM 1159 O GLU A 81 2.720 -4.015 -5.149 1.00 0.00 O ATOM 1160 CB GLU A 81 3.969 -5.828 -7.024 1.00 0.00 C ATOM 1161 CG GLU A 81 4.939 -6.807 -7.687 1.00 0.00 C ATOM 1162 CD GLU A 81 4.907 -6.608 -9.203 1.00 0.00 C ATOM 1163 OE1 GLU A 81 3.824 -6.646 -9.763 1.00 0.00 O ATOM 1164 OE2 GLU A 81 5.966 -6.422 -9.779 1.00 0.00 O ATOM 0 H GLU A 81 4.353 -6.043 -4.262 1.00 0.00 H new ATOM 0 HA GLU A 81 5.607 -4.474 -6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.187 -6.375 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.476 -5.219 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.949 -6.647 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.665 -7.832 -7.438 1.00 0.00 H new ATOM 1171 N PRO A 82 4.382 -2.600 -5.601 1.00 0.00 N ATOM 1172 CA PRO A 82 3.628 -1.403 -5.151 1.00 0.00 C ATOM 1173 C PRO A 82 2.337 -1.256 -5.956 1.00 0.00 C ATOM 1174 O PRO A 82 2.289 -1.558 -7.131 1.00 0.00 O ATOM 1175 CB PRO A 82 4.576 -0.233 -5.424 1.00 0.00 C ATOM 1176 CG PRO A 82 5.654 -0.777 -6.310 1.00 0.00 C ATOM 1177 CD PRO A 82 5.723 -2.262 -6.077 1.00 0.00 C ATOM 0 HA PRO A 82 3.334 -1.460 -4.103 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.051 0.590 -5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.993 0.157 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.435 -0.563 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.611 -0.308 -6.082 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.971 -2.800 -6.992 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.485 -2.517 -5.341 1.00 0.00 H new ATOM 1185 N LEU A 83 1.283 -0.808 -5.329 1.00 0.00 N ATOM 1186 CA LEU A 83 -0.006 -0.658 -6.061 1.00 0.00 C ATOM 1187 C LEU A 83 -0.279 0.805 -6.397 1.00 0.00 C ATOM 1188 O LEU A 83 -0.373 1.651 -5.533 1.00 0.00 O ATOM 1189 CB LEU A 83 -1.060 -1.218 -5.107 1.00 0.00 C ATOM 1190 CG LEU A 83 -1.883 -2.284 -5.830 1.00 0.00 C ATOM 1191 CD1 LEU A 83 -0.995 -3.491 -6.138 1.00 0.00 C ATOM 1192 CD2 LEU A 83 -3.045 -2.724 -4.936 1.00 0.00 C ATOM 0 H LEU A 83 1.259 -0.540 -4.345 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.002 -1.183 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.579 -1.648 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.710 -0.417 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.274 -1.872 -6.760 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.581 -4.252 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.165 -3.180 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.605 -3.903 -5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.633 -3.484 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.653 -3.136 -4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.678 -1.865 -4.713 1.00 0.00 H new ATOM 1204 N PHE A 84 -0.407 1.092 -7.666 1.00 0.00 N ATOM 1205 CA PHE A 84 -0.676 2.488 -8.117 1.00 0.00 C ATOM 1206 C PHE A 84 0.289 3.473 -7.462 1.00 0.00 C ATOM 1207 O PHE A 84 1.200 3.983 -8.083 1.00 0.00 O ATOM 1208 CB PHE A 84 -2.115 2.812 -7.690 1.00 0.00 C ATOM 1209 CG PHE A 84 -2.848 1.560 -7.270 1.00 0.00 C ATOM 1210 CD1 PHE A 84 -3.298 0.655 -8.239 1.00 0.00 C ATOM 1211 CD2 PHE A 84 -3.094 1.315 -5.913 1.00 0.00 C ATOM 1212 CE1 PHE A 84 -3.992 -0.498 -7.850 1.00 0.00 C ATOM 1213 CE2 PHE A 84 -3.791 0.163 -5.525 1.00 0.00 C ATOM 1214 CZ PHE A 84 -4.238 -0.744 -6.494 1.00 0.00 C ATOM 0 H PHE A 84 -0.335 0.408 -8.419 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.543 2.573 -9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.102 3.524 -6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.645 3.289 -8.515 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.110 0.846 -9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.747 2.014 -5.166 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.337 -1.198 -8.597 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.983 -0.025 -4.479 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.773 -1.633 -6.195 1.00 0.00 H new ATOM 1224 N GLU A 85 0.074 3.755 -6.215 1.00 0.00 N ATOM 1225 CA GLU A 85 0.951 4.729 -5.498 1.00 0.00 C ATOM 1226 C GLU A 85 2.102 4.022 -4.781 1.00 0.00 C ATOM 1227 O GLU A 85 3.133 4.608 -4.518 1.00 0.00 O ATOM 1228 CB GLU A 85 0.031 5.408 -4.484 1.00 0.00 C ATOM 1229 CG GLU A 85 0.173 6.926 -4.603 1.00 0.00 C ATOM 1230 CD GLU A 85 -0.639 7.424 -5.800 1.00 0.00 C ATOM 1231 OE1 GLU A 85 -1.559 6.728 -6.198 1.00 0.00 O ATOM 1232 OE2 GLU A 85 -0.329 8.494 -6.297 1.00 0.00 O ATOM 0 H GLU A 85 -0.675 3.353 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 85 1.412 5.437 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.003 5.114 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.285 5.086 -3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.175 7.407 -3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.222 7.195 -4.725 1.00 0.00 H new ATOM 1239 N GLY A 86 1.927 2.779 -4.438 1.00 0.00 N ATOM 1240 CA GLY A 86 3.006 2.054 -3.714 1.00 0.00 C ATOM 1241 C GLY A 86 2.656 2.020 -2.227 1.00 0.00 C ATOM 1242 O GLY A 86 3.259 1.303 -1.453 1.00 0.00 O ATOM 0 H GLY A 86 1.086 2.234 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.108 1.041 -4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.964 2.551 -3.866 1.00 0.00 H new ATOM 1246 N VAL A 87 1.672 2.785 -1.827 1.00 0.00 N ATOM 1247 CA VAL A 87 1.262 2.797 -0.393 1.00 0.00 C ATOM 1248 C VAL A 87 1.025 1.361 0.083 1.00 0.00 C ATOM 1249 O VAL A 87 0.942 1.087 1.264 1.00 0.00 O ATOM 1250 CB VAL A 87 -0.029 3.620 -0.369 1.00 0.00 C ATOM 1251 CG1 VAL A 87 -1.193 2.769 0.147 1.00 0.00 C ATOM 1252 CG2 VAL A 87 0.161 4.834 0.546 1.00 0.00 C ATOM 0 H VAL A 87 1.134 3.403 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 87 2.016 3.223 0.269 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.257 3.952 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.104 3.367 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.332 1.908 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.972 2.425 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.756 5.422 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.397 4.496 1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.978 5.449 0.169 1.00 0.00 H new ATOM 1262 N PHE A 88 0.925 0.445 -0.838 1.00 0.00 N ATOM 1263 CA PHE A 88 0.711 -0.979 -0.474 1.00 0.00 C ATOM 1264 C PHE A 88 1.250 -1.862 -1.599 1.00 0.00 C ATOM 1265 O PHE A 88 0.650 -1.980 -2.647 1.00 0.00 O ATOM 1266 CB PHE A 88 -0.804 -1.136 -0.342 1.00 0.00 C ATOM 1267 CG PHE A 88 -1.123 -2.547 0.083 1.00 0.00 C ATOM 1268 CD1 PHE A 88 -1.282 -3.548 -0.883 1.00 0.00 C ATOM 1269 CD2 PHE A 88 -1.259 -2.856 1.441 1.00 0.00 C ATOM 1270 CE1 PHE A 88 -1.579 -4.859 -0.489 1.00 0.00 C ATOM 1271 CE2 PHE A 88 -1.556 -4.166 1.835 1.00 0.00 C ATOM 1272 CZ PHE A 88 -1.716 -5.167 0.870 1.00 0.00 C ATOM 0 H PHE A 88 0.983 0.627 -1.840 1.00 0.00 H new ATOM 0 HA PHE A 88 1.219 -1.265 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.192 -0.427 0.389 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.289 -0.912 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.176 -3.310 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.135 -2.083 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -1.702 -5.632 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.662 -4.404 2.883 1.00 0.00 H new ATOM 0 HZ PHE A 88 -1.945 -6.178 1.174 1.00 0.00 H new ATOM 1282 N CYS A 89 2.389 -2.467 -1.404 1.00 0.00 N ATOM 1283 CA CYS A 89 2.960 -3.319 -2.485 1.00 0.00 C ATOM 1284 C CYS A 89 2.860 -4.798 -2.119 1.00 0.00 C ATOM 1285 O CYS A 89 3.189 -5.203 -1.022 1.00 0.00 O ATOM 1286 CB CYS A 89 4.423 -2.889 -2.601 1.00 0.00 C ATOM 1287 SG CYS A 89 5.343 -3.461 -1.153 1.00 0.00 S ATOM 0 H CYS A 89 2.945 -2.410 -0.551 1.00 0.00 H new ATOM 0 HA CYS A 89 2.423 -3.197 -3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.862 -3.301 -3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 89 4.488 -1.804 -2.680 1.00 0.00 H new ATOM 1292 N SER A 90 2.405 -5.607 -3.036 1.00 0.00 N ATOM 1293 CA SER A 90 2.279 -7.065 -2.749 1.00 0.00 C ATOM 1294 C SER A 90 1.970 -7.832 -4.037 1.00 0.00 C ATOM 1295 O SER A 90 1.251 -7.297 -4.866 1.00 0.00 O ATOM 1296 CB SER A 90 1.115 -7.177 -1.766 1.00 0.00 C ATOM 1297 OG SER A 90 1.599 -7.654 -0.517 1.00 0.00 O ATOM 1298 OXT SER A 90 2.457 -8.943 -4.175 1.00 0.00 O ATOM 0 H SER A 90 2.115 -5.322 -3.971 1.00 0.00 H new ATOM 0 HA SER A 90 3.198 -7.486 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.638 -6.205 -1.637 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.357 -7.855 -2.158 1.00 0.00 H new ATOM 0 HG SER A 90 2.324 -7.073 -0.204 1.00 0.00 H new TER 1304 SER A 90