USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 862 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 83 ASN : amide:sc= 0.973 K(o=2,f=-6!) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -158:sc= 0.99 (180deg=0) USER MOD Set 2.1: A 39 ASN : amide:sc= -1.01 K(o=-1.5,f=-3.3) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.525 X(o=-1.5,f=-1.1) USER MOD Single : A 4 ASN : amide:sc= -1.71! C(o=-1.7!,f=-5.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -34:sc= 1.24 USER MOD Single : A 10 THR OG1 : rot -41:sc= 0.279 USER MOD Single : A 13 GLN : amide:sc= -3.51! C(o=-3.5!,f=-1.2!) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc=-0.00646 (180deg=-0.122) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -6:sc= 0.445 USER MOD Single : A 34 SER OG : rot 53:sc= 0.497 USER MOD Single : A 37 CYS SG : rot -4:sc= -0.222 USER MOD Single : A 44 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.67) USER MOD Single : A 47 MET CE :methyl -136:sc= -0.0729 (180deg=-0.799) USER MOD Single : A 53 GLN : amide:sc= -4.93! C(o=-4.9!,f=-3.6!) USER MOD Single : A 54 TYR OH : rot -13:sc= -0.527 USER MOD Single : A 60 ASN : amide:sc= -2.8! C(o=-2.8!,f=-4.3!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 LYS NZ :NH3+ -144:sc= 0.626 (180deg=0.224) USER MOD Single : A 71 LYS NZ :NH3+ 168:sc=-0.00385 (180deg=-0.106) USER MOD Single : A 74 SER OG : rot -10:sc= 1.13 USER MOD Single : A 79 GLN : amide:sc= -4.81! C(o=-4.8!,f=-4.8!) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.011) USER MOD Single : A 88 TYR OH : rot 59:sc= 0.302 USER MOD Single : A 91 THR OG1 : rot 61:sc= 1.31 USER MOD Single : A 99 HIS : no HD1:sc= -0.953 K(o=-0.95,f=-0.38) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 119 HIS : no HE2:sc= 0.553 K(o=0.55,f=-5.1!) USER MOD Single : A 122 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.05) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.915 9.261 -7.223 1.00 0.00 N ATOM 43 CA ASN A 4 -10.165 8.629 -6.824 1.00 0.00 C ATOM 44 C ASN A 4 -9.800 7.786 -5.632 1.00 0.00 C ATOM 45 O ASN A 4 -10.310 6.692 -5.410 1.00 0.00 O ATOM 46 CB ASN A 4 -10.822 7.762 -7.983 1.00 0.00 C ATOM 47 CG ASN A 4 -9.916 6.696 -8.641 1.00 0.00 C ATOM 48 OD1 ASN A 4 -10.371 5.600 -9.003 1.00 0.00 O ATOM 49 ND2 ASN A 4 -8.684 7.042 -8.907 1.00 0.00 N ATOM 0 HA ASN A 4 -10.927 9.373 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.701 7.261 -7.578 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.172 8.441 -8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.075 6.406 -9.422 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.331 7.948 -8.600 1.00 0.00 H new ATOM 56 N LYS A 5 -8.907 8.373 -4.848 1.00 0.00 N ATOM 57 CA LYS A 5 -8.313 7.769 -3.694 1.00 0.00 C ATOM 58 C LYS A 5 -9.313 7.556 -2.599 1.00 0.00 C ATOM 59 O LYS A 5 -9.817 8.514 -1.997 1.00 0.00 O ATOM 60 CB LYS A 5 -7.158 8.631 -3.161 1.00 0.00 C ATOM 61 CG LYS A 5 -5.960 8.734 -4.085 1.00 0.00 C ATOM 62 CD LYS A 5 -4.956 9.742 -3.564 1.00 0.00 C ATOM 63 CE LYS A 5 -3.702 9.779 -4.420 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.852 10.933 -4.065 1.00 0.00 N ATOM 0 H LYS A 5 -8.572 9.321 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.931 6.798 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.534 9.635 -2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.828 8.221 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.485 7.758 -4.180 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.290 9.026 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.412 10.732 -3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.689 9.492 -2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.140 8.855 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.978 9.836 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.002 10.935 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.383 11.814 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.571 10.863 -3.066 1.00 0.00 H new ATOM 78 N VAL A 6 -9.632 6.320 -2.370 1.00 0.00 N ATOM 79 CA VAL A 6 -10.443 5.971 -1.265 1.00 0.00 C ATOM 80 C VAL A 6 -9.556 5.798 -0.057 1.00 0.00 C ATOM 81 O VAL A 6 -8.815 4.857 0.036 1.00 0.00 O ATOM 82 CB VAL A 6 -11.240 4.669 -1.508 1.00 0.00 C ATOM 83 CG1 VAL A 6 -12.125 4.324 -0.308 1.00 0.00 C ATOM 84 CG2 VAL A 6 -12.073 4.775 -2.763 1.00 0.00 C ATOM 0 H VAL A 6 -9.334 5.533 -2.947 1.00 0.00 H new ATOM 0 HA VAL A 6 -11.169 6.769 -1.110 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.519 3.862 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.672 3.403 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.502 4.188 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.832 5.135 -0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.625 3.847 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -12.775 5.603 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.421 4.952 -3.619 1.00 0.00 H new ATOM 94 N CYS A 7 -9.569 6.772 0.770 1.00 0.00 N ATOM 95 CA CYS A 7 -8.957 6.747 2.074 1.00 0.00 C ATOM 96 C CYS A 7 -10.097 6.401 3.005 1.00 0.00 C ATOM 97 O CYS A 7 -11.230 6.351 2.522 1.00 0.00 O ATOM 98 CB CYS A 7 -8.373 8.121 2.382 1.00 0.00 C ATOM 99 SG CYS A 7 -7.136 8.642 1.171 1.00 0.00 S ATOM 0 H CYS A 7 -10.025 7.660 0.561 1.00 0.00 H new ATOM 0 HA CYS A 7 -8.136 6.035 2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.178 8.855 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.920 8.105 3.373 1.00 0.00 H new ATOM 0 HG CYS A 7 -6.471 7.605 0.757 1.00 0.00 H new ATOM 105 N GLY A 8 -9.808 6.105 4.276 1.00 0.00 N ATOM 106 CA GLY A 8 -10.819 5.635 5.244 1.00 0.00 C ATOM 107 C GLY A 8 -12.191 6.229 5.060 1.00 0.00 C ATOM 108 O GLY A 8 -12.383 7.435 5.182 1.00 0.00 O ATOM 0 H GLY A 8 -8.870 6.182 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.895 4.550 5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.471 5.863 6.251 1.00 0.00 H new ATOM 112 N LEU A 9 -13.129 5.387 4.748 1.00 0.00 N ATOM 113 CA LEU A 9 -14.441 5.816 4.421 1.00 0.00 C ATOM 114 C LEU A 9 -15.411 4.766 4.903 1.00 0.00 C ATOM 115 O LEU A 9 -15.030 3.607 5.070 1.00 0.00 O ATOM 116 CB LEU A 9 -14.522 6.007 2.901 1.00 0.00 C ATOM 117 CG LEU A 9 -15.798 6.599 2.328 1.00 0.00 C ATOM 118 CD1 LEU A 9 -16.097 7.943 2.974 1.00 0.00 C ATOM 119 CD2 LEU A 9 -15.642 6.757 0.830 1.00 0.00 C ATOM 0 H LEU A 9 -12.997 4.376 4.715 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.689 6.764 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.692 6.645 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.364 5.036 2.433 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.633 5.930 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.014 8.353 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.219 7.811 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.272 8.629 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.555 7.182 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.803 7.421 0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.455 5.782 0.379 1.00 0.00 H new ATOM 131 N THR A 10 -16.647 5.147 5.114 1.00 0.00 N ATOM 132 CA THR A 10 -17.605 4.229 5.677 1.00 0.00 C ATOM 133 C THR A 10 -18.947 4.373 4.952 1.00 0.00 C ATOM 134 O THR A 10 -19.980 3.873 5.380 1.00 0.00 O ATOM 135 CB THR A 10 -17.743 4.461 7.218 1.00 0.00 C ATOM 136 OG1 THR A 10 -18.515 3.417 7.824 1.00 0.00 O ATOM 137 CG2 THR A 10 -18.380 5.818 7.527 1.00 0.00 C ATOM 0 H THR A 10 -17.010 6.077 4.907 1.00 0.00 H new ATOM 0 HA THR A 10 -17.257 3.206 5.536 1.00 0.00 H new ATOM 0 HB THR A 10 -16.737 4.450 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 10 -19.272 3.191 7.244 1.00 0.00 H new ATOM 0 HG21 THR A 10 -18.460 5.945 8.607 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.760 6.614 7.113 1.00 0.00 H new ATOM 0 HG23 THR A 10 -19.374 5.863 7.082 1.00 0.00 H new ATOM 145 N ARG A 11 -18.900 5.026 3.823 1.00 0.00 N ATOM 146 CA ARG A 11 -20.085 5.272 3.058 1.00 0.00 C ATOM 147 C ARG A 11 -19.938 4.531 1.754 1.00 0.00 C ATOM 148 O ARG A 11 -19.105 4.904 0.935 1.00 0.00 O ATOM 149 CB ARG A 11 -20.213 6.747 2.730 1.00 0.00 C ATOM 150 CG ARG A 11 -20.114 7.723 3.877 1.00 0.00 C ATOM 151 CD ARG A 11 -20.040 9.131 3.313 1.00 0.00 C ATOM 152 NE ARG A 11 -19.809 10.147 4.323 1.00 0.00 N ATOM 153 CZ ARG A 11 -19.123 11.289 4.111 1.00 0.00 C ATOM 154 NH1 ARG A 11 -18.412 11.471 2.979 1.00 0.00 N ATOM 155 NH2 ARG A 11 -19.096 12.213 5.053 1.00 0.00 N ATOM 0 H ARG A 11 -18.044 5.399 3.412 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.958 4.951 3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.439 6.999 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.173 6.901 2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.979 7.624 4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.231 7.510 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.240 9.176 2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -20.970 9.354 2.790 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.191 9.987 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -18.388 10.739 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -17.899 12.340 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.591 12.060 5.932 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -18.580 13.080 4.902 1.00 0.00 H new ATOM 169 N GLY A 12 -20.710 3.501 1.566 1.00 0.00 N ATOM 170 CA GLY A 12 -20.659 2.709 0.344 1.00 0.00 C ATOM 171 C GLY A 12 -20.917 3.527 -0.920 1.00 0.00 C ATOM 172 O GLY A 12 -20.288 3.312 -1.957 1.00 0.00 O ATOM 0 H GLY A 12 -21.396 3.176 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.680 2.235 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.397 1.909 0.407 1.00 0.00 H new ATOM 176 N GLN A 13 -21.800 4.505 -0.799 1.00 0.00 N ATOM 177 CA GLN A 13 -22.206 5.356 -1.917 1.00 0.00 C ATOM 178 C GLN A 13 -21.055 6.262 -2.287 1.00 0.00 C ATOM 179 O GLN A 13 -20.802 6.554 -3.447 1.00 0.00 O ATOM 180 CB GLN A 13 -23.411 6.276 -1.563 1.00 0.00 C ATOM 181 CG GLN A 13 -24.603 5.657 -0.817 1.00 0.00 C ATOM 182 CD GLN A 13 -24.296 5.367 0.644 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.450 6.226 1.497 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.894 4.165 0.937 1.00 0.00 N ATOM 0 H GLN A 13 -22.261 4.736 0.081 1.00 0.00 H new ATOM 0 HA GLN A 13 -22.495 4.692 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -23.033 7.102 -0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.786 6.705 -2.492 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.455 6.334 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.896 4.732 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -23.776 3.472 0.198 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.697 3.915 1.906 1.00 0.00 H new ATOM 193 N ASP A 14 -20.340 6.653 -1.276 1.00 0.00 N ATOM 194 CA ASP A 14 -19.265 7.606 -1.394 1.00 0.00 C ATOM 195 C ASP A 14 -18.019 6.879 -1.866 1.00 0.00 C ATOM 196 O ASP A 14 -17.109 7.461 -2.444 1.00 0.00 O ATOM 197 CB ASP A 14 -19.057 8.231 -0.024 1.00 0.00 C ATOM 198 CG ASP A 14 -18.349 9.564 -0.044 1.00 0.00 C ATOM 199 OD1 ASP A 14 -18.575 10.353 -0.975 1.00 0.00 O ATOM 200 OD2 ASP A 14 -17.648 9.883 0.919 1.00 0.00 O ATOM 0 H ASP A 14 -20.486 6.315 -0.325 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.493 8.390 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.028 8.357 0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.484 7.539 0.594 1.00 0.00 H new ATOM 205 N ALA A 15 -18.010 5.586 -1.621 1.00 0.00 N ATOM 206 CA ALA A 15 -16.946 4.713 -2.039 1.00 0.00 C ATOM 207 C ALA A 15 -17.090 4.408 -3.526 1.00 0.00 C ATOM 208 O ALA A 15 -16.119 4.487 -4.290 1.00 0.00 O ATOM 209 CB ALA A 15 -16.988 3.430 -1.215 1.00 0.00 C ATOM 0 H ALA A 15 -18.757 5.109 -1.117 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.983 5.198 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.182 2.768 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.866 3.672 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.946 2.932 -1.365 1.00 0.00 H new ATOM 215 N LYS A 16 -18.320 4.107 -3.949 1.00 0.00 N ATOM 216 CA LYS A 16 -18.582 3.796 -5.346 1.00 0.00 C ATOM 217 C LYS A 16 -18.397 4.997 -6.232 1.00 0.00 C ATOM 218 O LYS A 16 -18.141 4.852 -7.396 1.00 0.00 O ATOM 219 CB LYS A 16 -19.935 3.107 -5.574 1.00 0.00 C ATOM 220 CG LYS A 16 -21.173 3.910 -5.205 1.00 0.00 C ATOM 221 CD LYS A 16 -22.420 3.037 -5.281 1.00 0.00 C ATOM 222 CE LYS A 16 -23.707 3.824 -5.091 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.955 4.772 -6.192 1.00 0.00 N ATOM 0 H LYS A 16 -19.141 4.073 -3.345 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.830 3.062 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -20.006 2.834 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.947 2.179 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -21.065 4.313 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -21.276 4.760 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -22.447 2.535 -6.248 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -22.360 2.260 -4.519 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -24.545 3.131 -5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -23.660 4.370 -4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -24.917 5.159 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.264 5.548 -6.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.860 4.279 -7.103 1.00 0.00 H new ATOM 237 N ALA A 17 -18.509 6.180 -5.656 1.00 0.00 N ATOM 238 CA ALA A 17 -18.276 7.427 -6.370 1.00 0.00 C ATOM 239 C ALA A 17 -16.868 7.455 -6.981 1.00 0.00 C ATOM 240 O ALA A 17 -16.681 7.887 -8.116 1.00 0.00 O ATOM 241 CB ALA A 17 -18.448 8.594 -5.430 1.00 0.00 C ATOM 0 H ALA A 17 -18.765 6.306 -4.677 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.003 7.500 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.272 9.525 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -19.462 8.592 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.734 8.509 -4.611 1.00 0.00 H new ATOM 247 N ALA A 18 -15.896 6.943 -6.241 1.00 0.00 N ATOM 248 CA ALA A 18 -14.516 6.904 -6.696 1.00 0.00 C ATOM 249 C ALA A 18 -14.361 5.857 -7.800 1.00 0.00 C ATOM 250 O ALA A 18 -13.642 6.050 -8.789 1.00 0.00 O ATOM 251 CB ALA A 18 -13.612 6.602 -5.524 1.00 0.00 C ATOM 0 H ALA A 18 -16.041 6.545 -5.313 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.234 7.872 -7.110 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -12.576 6.572 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.725 7.379 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.882 5.637 -5.096 1.00 0.00 H new ATOM 257 N TYR A 19 -15.076 4.768 -7.649 1.00 0.00 N ATOM 258 CA TYR A 19 -15.109 3.717 -8.642 1.00 0.00 C ATOM 259 C TYR A 19 -15.831 4.194 -9.890 1.00 0.00 C ATOM 260 O TYR A 19 -15.470 3.837 -11.007 1.00 0.00 O ATOM 261 CB TYR A 19 -15.713 2.439 -8.036 1.00 0.00 C ATOM 262 CG TYR A 19 -16.622 1.631 -8.946 1.00 0.00 C ATOM 263 CD1 TYR A 19 -16.097 0.736 -9.848 1.00 0.00 C ATOM 264 CD2 TYR A 19 -18.003 1.781 -8.901 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.904 0.005 -10.692 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.826 1.052 -9.739 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.266 0.163 -10.636 1.00 0.00 C ATOM 268 OH TYR A 19 -19.068 -0.568 -11.482 1.00 0.00 O ATOM 0 H TYR A 19 -15.655 4.583 -6.830 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.095 3.465 -8.953 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.896 1.796 -7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.278 2.716 -7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.026 0.603 -9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.440 2.478 -8.201 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.467 -0.689 -11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.898 1.176 -9.693 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.008 -0.343 -11.318 1.00 0.00 H new ATOM 278 N ASP A 20 -16.813 5.004 -9.681 1.00 0.00 N ATOM 279 CA ASP A 20 -17.561 5.631 -10.759 1.00 0.00 C ATOM 280 C ASP A 20 -16.675 6.605 -11.527 1.00 0.00 C ATOM 281 O ASP A 20 -16.811 6.762 -12.735 1.00 0.00 O ATOM 282 CB ASP A 20 -18.784 6.358 -10.200 1.00 0.00 C ATOM 283 CG ASP A 20 -19.516 7.160 -11.240 1.00 0.00 C ATOM 284 OD1 ASP A 20 -20.346 6.591 -11.968 1.00 0.00 O ATOM 285 OD2 ASP A 20 -19.277 8.380 -11.334 1.00 0.00 O ATOM 0 H ASP A 20 -17.137 5.264 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.897 4.854 -11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -19.467 5.628 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -18.469 7.020 -9.393 1.00 0.00 H new ATOM 290 N ALA A 21 -15.736 7.221 -10.818 1.00 0.00 N ATOM 291 CA ALA A 21 -14.838 8.200 -11.416 1.00 0.00 C ATOM 292 C ALA A 21 -13.811 7.535 -12.332 1.00 0.00 C ATOM 293 O ALA A 21 -13.266 8.177 -13.231 1.00 0.00 O ATOM 294 CB ALA A 21 -14.140 9.013 -10.337 1.00 0.00 C ATOM 0 H ALA A 21 -15.577 7.058 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.442 8.871 -12.027 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.473 9.739 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.884 9.536 -9.737 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.561 8.347 -9.697 1.00 0.00 H new ATOM 300 N GLY A 22 -13.542 6.264 -12.105 1.00 0.00 N ATOM 301 CA GLY A 22 -12.667 5.557 -12.976 1.00 0.00 C ATOM 302 C GLY A 22 -12.365 4.159 -12.502 1.00 0.00 C ATOM 303 O GLY A 22 -11.948 3.322 -13.309 1.00 0.00 O ATOM 0 H GLY A 22 -13.919 5.718 -11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.113 5.509 -13.969 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.733 6.111 -13.072 1.00 0.00 H new ATOM 307 N ALA A 23 -12.560 3.894 -11.172 1.00 0.00 N ATOM 308 CA ALA A 23 -12.259 2.582 -10.564 1.00 0.00 C ATOM 309 C ALA A 23 -10.806 2.265 -10.736 1.00 0.00 C ATOM 310 O ALA A 23 -10.396 1.103 -10.765 1.00 0.00 O ATOM 311 CB ALA A 23 -13.109 1.491 -11.164 1.00 0.00 C ATOM 0 H ALA A 23 -12.925 4.580 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.492 2.636 -9.501 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.863 0.538 -10.695 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.162 1.717 -10.996 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.917 1.428 -12.235 1.00 0.00 H new ATOM 317 N ILE A 24 -10.042 3.308 -10.758 1.00 0.00 N ATOM 318 CA ILE A 24 -8.664 3.247 -11.078 1.00 0.00 C ATOM 319 C ILE A 24 -7.906 2.575 -9.966 1.00 0.00 C ATOM 320 O ILE A 24 -7.310 1.519 -10.165 1.00 0.00 O ATOM 321 CB ILE A 24 -8.111 4.670 -11.295 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.027 5.478 -12.251 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.683 4.610 -11.835 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.592 6.919 -12.437 1.00 0.00 C ATOM 0 H ILE A 24 -10.374 4.249 -10.547 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.541 2.670 -11.994 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.094 5.182 -10.333 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.048 4.985 -13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.046 5.462 -11.864 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.307 5.622 -11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.046 4.087 -11.122 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.676 4.078 -12.786 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.279 7.421 -13.118 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.599 7.428 -11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.585 6.944 -12.854 1.00 0.00 H new ATOM 336 N TYR A 25 -7.970 3.179 -8.805 1.00 0.00 N ATOM 337 CA TYR A 25 -7.251 2.733 -7.631 1.00 0.00 C ATOM 338 C TYR A 25 -7.602 3.656 -6.460 1.00 0.00 C ATOM 339 O TYR A 25 -7.910 4.833 -6.671 1.00 0.00 O ATOM 340 CB TYR A 25 -5.707 2.649 -7.908 1.00 0.00 C ATOM 341 CG TYR A 25 -4.880 3.646 -7.193 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.388 3.354 -5.949 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.620 4.884 -7.739 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.665 4.256 -5.251 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.883 5.810 -7.054 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.405 5.496 -5.796 1.00 0.00 C ATOM 347 OH TYR A 25 -2.672 6.422 -5.085 1.00 0.00 O ATOM 0 H TYR A 25 -8.535 4.013 -8.644 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.555 1.720 -7.367 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.360 1.652 -7.637 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.540 2.764 -8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.582 2.383 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.003 5.126 -8.719 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.291 4.007 -4.269 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.677 6.776 -7.491 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.580 7.242 -5.614 1.00 0.00 H new ATOM 357 N GLY A 26 -7.549 3.137 -5.266 1.00 0.00 N ATOM 358 CA GLY A 26 -7.842 3.891 -4.103 1.00 0.00 C ATOM 359 C GLY A 26 -6.643 3.919 -3.204 1.00 0.00 C ATOM 360 O GLY A 26 -6.021 2.881 -2.970 1.00 0.00 O ATOM 0 H GLY A 26 -7.297 2.166 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.126 4.907 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.692 3.454 -3.579 1.00 0.00 H new ATOM 364 N GLY A 27 -6.296 5.082 -2.728 1.00 0.00 N ATOM 365 CA GLY A 27 -5.143 5.215 -1.892 1.00 0.00 C ATOM 366 C GLY A 27 -5.485 5.117 -0.431 1.00 0.00 C ATOM 367 O GLY A 27 -5.627 6.144 0.251 1.00 0.00 O ATOM 0 H GLY A 27 -6.798 5.951 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.420 4.440 -2.147 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.664 6.174 -2.087 1.00 0.00 H new ATOM 371 N LEU A 28 -5.630 3.905 0.047 1.00 0.00 N ATOM 372 CA LEU A 28 -5.913 3.655 1.426 1.00 0.00 C ATOM 373 C LEU A 28 -4.772 2.942 2.062 1.00 0.00 C ATOM 374 O LEU A 28 -4.000 2.265 1.399 1.00 0.00 O ATOM 375 CB LEU A 28 -7.296 2.947 1.713 1.00 0.00 C ATOM 376 CG LEU A 28 -7.706 1.617 0.992 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.861 1.797 -0.504 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.760 0.474 1.302 1.00 0.00 C ATOM 0 H LEU A 28 -5.553 3.062 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.029 4.635 1.889 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.333 2.750 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.076 3.677 1.496 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.683 1.351 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.146 0.847 -0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.633 2.540 -0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.916 2.133 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.089 -0.423 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.754 0.736 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.756 0.286 2.376 1.00 0.00 H new ATOM 390 N ILE A 29 -4.617 3.164 3.303 1.00 0.00 N ATOM 391 CA ILE A 29 -3.545 2.518 4.043 1.00 0.00 C ATOM 392 C ILE A 29 -4.123 1.621 5.155 1.00 0.00 C ATOM 393 O ILE A 29 -5.230 1.879 5.617 1.00 0.00 O ATOM 394 CB ILE A 29 -2.600 3.557 4.644 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.266 4.667 3.639 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.352 2.881 5.107 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.383 5.772 4.188 1.00 0.00 C ATOM 0 H ILE A 29 -5.206 3.786 3.856 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.979 1.897 3.349 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.099 4.027 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.772 4.221 2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.197 5.108 3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.676 3.620 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.601 2.135 5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.867 2.394 4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.199 6.512 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.880 6.250 5.032 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.434 5.349 4.518 1.00 0.00 H new ATOM 409 N PHE A 30 -3.374 0.602 5.609 1.00 0.00 N ATOM 410 CA PHE A 30 -3.868 -0.301 6.661 1.00 0.00 C ATOM 411 C PHE A 30 -3.641 0.322 8.034 1.00 0.00 C ATOM 412 O PHE A 30 -2.750 -0.109 8.781 1.00 0.00 O ATOM 413 CB PHE A 30 -3.140 -1.658 6.676 1.00 0.00 C ATOM 414 CG PHE A 30 -2.946 -2.327 5.364 1.00 0.00 C ATOM 415 CD1 PHE A 30 -3.927 -3.126 4.810 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.752 -2.172 4.697 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.709 -3.754 3.601 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.525 -2.791 3.507 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.499 -3.584 2.950 1.00 0.00 C ATOM 0 H PHE A 30 -2.437 0.385 5.269 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.925 -0.457 6.445 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.161 -1.513 7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.696 -2.335 7.324 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.867 -3.260 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.982 -1.548 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.478 -4.375 3.165 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.580 -2.659 3.001 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.321 -4.075 2.005 1.00 0.00 H new ATOM 429 N VAL A 31 -4.352 1.361 8.345 1.00 0.00 N ATOM 430 CA VAL A 31 -4.229 1.931 9.663 1.00 0.00 C ATOM 431 C VAL A 31 -5.323 1.367 10.538 1.00 0.00 C ATOM 432 O VAL A 31 -6.515 1.568 10.258 1.00 0.00 O ATOM 433 CB VAL A 31 -4.254 3.476 9.682 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.042 3.970 11.099 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.172 4.035 8.771 1.00 0.00 C ATOM 0 H VAL A 31 -5.012 1.828 7.724 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.247 1.656 10.047 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.224 3.818 9.320 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.060 5.060 11.111 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.836 3.587 11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.078 3.619 11.466 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.203 5.124 8.795 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.196 3.692 9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.341 3.690 7.751 1.00 0.00 H new ATOM 445 N ALA A 32 -4.894 0.679 11.588 1.00 0.00 N ATOM 446 CA ALA A 32 -5.734 -0.090 12.511 1.00 0.00 C ATOM 447 C ALA A 32 -7.007 0.621 12.935 1.00 0.00 C ATOM 448 O ALA A 32 -6.992 1.494 13.808 1.00 0.00 O ATOM 449 CB ALA A 32 -4.934 -0.501 13.736 1.00 0.00 C ATOM 0 H ALA A 32 -3.905 0.637 11.835 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.053 -0.972 11.955 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.571 -1.071 14.412 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.088 -1.116 13.429 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.568 0.389 14.247 1.00 0.00 H new ATOM 455 N THR A 33 -8.090 0.289 12.244 1.00 0.00 N ATOM 456 CA THR A 33 -9.461 0.736 12.533 1.00 0.00 C ATOM 457 C THR A 33 -9.599 2.264 12.563 1.00 0.00 C ATOM 458 O THR A 33 -10.539 2.804 13.145 1.00 0.00 O ATOM 459 CB THR A 33 -10.012 0.107 13.856 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.240 0.523 15.003 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.002 -1.410 13.771 1.00 0.00 C ATOM 0 H THR A 33 -8.043 -0.325 11.431 1.00 0.00 H new ATOM 0 HA THR A 33 -10.070 0.376 11.703 1.00 0.00 H new ATOM 0 HB THR A 33 -11.036 0.460 13.978 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.463 1.040 14.704 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.389 -1.829 14.700 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.629 -1.732 12.939 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.982 -1.759 13.613 1.00 0.00 H new ATOM 469 N SER A 34 -8.700 2.948 11.895 1.00 0.00 N ATOM 470 CA SER A 34 -8.707 4.369 11.899 1.00 0.00 C ATOM 471 C SER A 34 -9.269 4.840 10.599 1.00 0.00 C ATOM 472 O SER A 34 -8.618 4.706 9.584 1.00 0.00 O ATOM 473 CB SER A 34 -7.293 4.881 12.134 1.00 0.00 C ATOM 474 OG SER A 34 -6.726 4.241 13.286 1.00 0.00 O ATOM 0 H SER A 34 -7.954 2.527 11.341 1.00 0.00 H new ATOM 0 HA SER A 34 -9.331 4.758 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.676 4.684 11.257 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.308 5.961 12.278 1.00 0.00 H new ATOM 0 HG SER A 34 -6.802 3.269 13.191 1.00 0.00 H new ATOM 480 N PRO A 35 -10.490 5.445 10.623 1.00 0.00 N ATOM 481 CA PRO A 35 -11.264 5.836 9.414 1.00 0.00 C ATOM 482 C PRO A 35 -10.634 6.970 8.599 1.00 0.00 C ATOM 483 O PRO A 35 -11.295 7.643 7.830 1.00 0.00 O ATOM 484 CB PRO A 35 -12.611 6.268 9.977 1.00 0.00 C ATOM 485 CG PRO A 35 -12.316 6.705 11.360 1.00 0.00 C ATOM 486 CD PRO A 35 -11.226 5.809 11.855 1.00 0.00 C ATOM 0 HA PRO A 35 -11.315 5.008 8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.045 7.077 9.390 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.327 5.446 9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.002 7.749 11.380 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.202 6.626 11.991 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.582 6.319 12.571 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.627 4.929 12.357 1.00 0.00 H new ATOM 494 N ARG A 36 -9.381 7.169 8.798 1.00 0.00 N ATOM 495 CA ARG A 36 -8.594 8.041 7.987 1.00 0.00 C ATOM 496 C ARG A 36 -8.001 7.178 6.885 1.00 0.00 C ATOM 497 O ARG A 36 -7.633 7.646 5.810 1.00 0.00 O ATOM 498 CB ARG A 36 -7.483 8.673 8.819 1.00 0.00 C ATOM 499 CG ARG A 36 -7.981 9.549 9.958 1.00 0.00 C ATOM 500 CD ARG A 36 -8.754 10.746 9.440 1.00 0.00 C ATOM 501 NE ARG A 36 -9.120 11.661 10.516 1.00 0.00 N ATOM 502 CZ ARG A 36 -9.300 12.970 10.363 1.00 0.00 C ATOM 503 NH1 ARG A 36 -9.271 13.513 9.150 1.00 0.00 N ATOM 504 NH2 ARG A 36 -9.529 13.733 11.418 1.00 0.00 N ATOM 0 H ARG A 36 -8.856 6.720 9.548 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.195 8.851 7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.857 7.881 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.850 9.272 8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.618 8.961 10.619 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.134 9.891 10.553 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.152 11.276 8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.655 10.404 8.931 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.247 11.270 11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.110 12.925 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.410 14.517 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.568 13.318 12.349 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.667 14.737 11.301 1.00 0.00 H new ATOM 518 N CYS A 37 -7.946 5.885 7.161 1.00 0.00 N ATOM 519 CA CYS A 37 -7.454 4.903 6.231 1.00 0.00 C ATOM 520 C CYS A 37 -8.328 3.656 6.354 1.00 0.00 C ATOM 521 O CYS A 37 -9.210 3.625 7.201 1.00 0.00 O ATOM 522 CB CYS A 37 -5.995 4.611 6.521 1.00 0.00 C ATOM 523 SG CYS A 37 -4.908 6.048 6.345 1.00 0.00 S ATOM 0 H CYS A 37 -8.248 5.491 8.052 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.508 5.268 5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.907 4.224 7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.652 3.824 5.849 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.598 7.064 5.918 1.00 0.00 H new ATOM 529 N VAL A 38 -8.145 2.664 5.523 1.00 0.00 N ATOM 530 CA VAL A 38 -8.994 1.516 5.605 1.00 0.00 C ATOM 531 C VAL A 38 -8.179 0.252 5.540 1.00 0.00 C ATOM 532 O VAL A 38 -7.262 0.121 4.740 1.00 0.00 O ATOM 533 CB VAL A 38 -10.145 1.583 4.519 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.372 0.263 3.809 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.451 2.011 5.171 1.00 0.00 C ATOM 0 H VAL A 38 -7.429 2.630 4.797 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.496 1.509 6.572 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.821 2.311 3.775 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.173 0.376 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.456 -0.039 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.650 -0.499 4.537 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.237 2.054 4.417 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.726 1.291 5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.327 2.995 5.623 1.00 0.00 H new ATOM 545 N ASN A 39 -8.537 -0.659 6.384 1.00 0.00 N ATOM 546 CA ASN A 39 -7.880 -1.926 6.488 1.00 0.00 C ATOM 547 C ASN A 39 -8.715 -2.988 5.881 1.00 0.00 C ATOM 548 O ASN A 39 -9.898 -2.752 5.594 1.00 0.00 O ATOM 549 CB ASN A 39 -7.447 -2.236 7.935 1.00 0.00 C ATOM 550 CG ASN A 39 -8.497 -1.951 8.963 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.620 -0.831 9.453 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.196 -2.938 9.358 1.00 0.00 N ATOM 0 H ASN A 39 -9.312 -0.543 7.037 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.952 -1.885 5.918 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.165 -3.287 8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.557 -1.652 8.169 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.882 -2.812 10.102 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.070 -3.856 8.931 1.00 0.00 H new ATOM 559 N VAL A 40 -8.109 -4.150 5.681 1.00 0.00 N ATOM 560 CA VAL A 40 -8.706 -5.301 4.998 1.00 0.00 C ATOM 561 C VAL A 40 -10.104 -5.623 5.516 1.00 0.00 C ATOM 562 O VAL A 40 -10.983 -6.000 4.748 1.00 0.00 O ATOM 563 CB VAL A 40 -7.769 -6.534 5.124 1.00 0.00 C ATOM 564 CG1 VAL A 40 -8.366 -7.793 4.532 1.00 0.00 C ATOM 565 CG2 VAL A 40 -6.447 -6.237 4.458 1.00 0.00 C ATOM 0 H VAL A 40 -7.156 -4.329 5.998 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.817 -5.041 3.945 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.627 -6.719 6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.665 -8.619 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.297 -8.031 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.567 -7.637 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.792 -7.103 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.612 -6.015 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.981 -5.378 4.941 1.00 0.00 H new ATOM 575 N GLU A 41 -10.299 -5.414 6.783 1.00 0.00 N ATOM 576 CA GLU A 41 -11.531 -5.650 7.435 1.00 0.00 C ATOM 577 C GLU A 41 -12.656 -4.771 6.873 1.00 0.00 C ATOM 578 O GLU A 41 -13.679 -5.289 6.419 1.00 0.00 O ATOM 579 CB GLU A 41 -11.357 -5.452 8.911 1.00 0.00 C ATOM 580 CG GLU A 41 -10.458 -6.488 9.560 1.00 0.00 C ATOM 581 CD GLU A 41 -8.990 -6.093 9.617 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.486 -5.454 8.672 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.316 -6.407 10.626 1.00 0.00 O ATOM 0 H GLU A 41 -9.571 -5.061 7.405 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.832 -6.681 7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.942 -4.460 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.335 -5.480 9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.812 -6.675 10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.549 -7.426 9.012 1.00 0.00 H new ATOM 590 N GLN A 42 -12.460 -3.447 6.873 1.00 0.00 N ATOM 591 CA GLN A 42 -13.441 -2.538 6.276 1.00 0.00 C ATOM 592 C GLN A 42 -13.469 -2.708 4.774 1.00 0.00 C ATOM 593 O GLN A 42 -14.528 -2.776 4.166 1.00 0.00 O ATOM 594 CB GLN A 42 -13.082 -1.109 6.599 1.00 0.00 C ATOM 595 CG GLN A 42 -13.237 -0.750 8.050 1.00 0.00 C ATOM 596 CD GLN A 42 -12.349 0.365 8.417 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.695 1.534 8.317 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.214 0.016 8.875 1.00 0.00 N ATOM 0 H GLN A 42 -11.642 -2.988 7.274 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.423 -2.775 6.686 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.050 -0.929 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.708 -0.445 6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.273 -0.476 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.011 -1.618 8.669 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.972 -0.973 8.939 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.547 0.725 9.178 1.00 0.00 H new ATOM 607 N ALA A 43 -12.292 -2.832 4.183 1.00 0.00 N ATOM 608 CA ALA A 43 -12.150 -2.933 2.739 1.00 0.00 C ATOM 609 C ALA A 43 -12.810 -4.187 2.185 1.00 0.00 C ATOM 610 O ALA A 43 -13.134 -4.242 1.017 1.00 0.00 O ATOM 611 CB ALA A 43 -10.690 -2.864 2.336 1.00 0.00 C ATOM 0 H ALA A 43 -11.408 -2.866 4.690 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.669 -2.080 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.608 -2.942 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.266 -1.915 2.665 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.145 -3.686 2.801 1.00 0.00 H new ATOM 617 N GLN A 44 -13.034 -5.177 3.048 1.00 0.00 N ATOM 618 CA GLN A 44 -13.695 -6.417 2.666 1.00 0.00 C ATOM 619 C GLN A 44 -15.128 -6.089 2.225 1.00 0.00 C ATOM 620 O GLN A 44 -15.708 -6.739 1.359 1.00 0.00 O ATOM 621 CB GLN A 44 -13.753 -7.367 3.869 1.00 0.00 C ATOM 622 CG GLN A 44 -13.735 -8.835 3.507 1.00 0.00 C ATOM 623 CD GLN A 44 -12.319 -9.402 3.513 1.00 0.00 C ATOM 624 OE1 GLN A 44 -12.116 -10.592 3.736 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.328 -8.558 3.348 1.00 0.00 N ATOM 0 H GLN A 44 -12.761 -5.139 4.030 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.143 -6.893 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.908 -7.156 4.524 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.658 -7.157 4.439 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.352 -9.391 4.213 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.177 -8.972 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.522 -7.574 3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.364 -8.886 3.404 1.00 0.00 H new ATOM 634 N GLU A 45 -15.671 -5.065 2.836 1.00 0.00 N ATOM 635 CA GLU A 45 -16.995 -4.594 2.538 1.00 0.00 C ATOM 636 C GLU A 45 -16.938 -3.622 1.387 1.00 0.00 C ATOM 637 O GLU A 45 -17.704 -3.716 0.434 1.00 0.00 O ATOM 638 CB GLU A 45 -17.574 -3.897 3.751 1.00 0.00 C ATOM 639 CG GLU A 45 -17.574 -4.774 4.992 1.00 0.00 C ATOM 640 CD GLU A 45 -18.192 -4.108 6.180 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.408 -3.843 6.153 1.00 0.00 O ATOM 642 OE2 GLU A 45 -17.499 -3.903 7.193 1.00 0.00 O ATOM 0 H GLU A 45 -15.197 -4.530 3.564 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.625 -5.442 2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.001 -2.992 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.595 -3.586 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.114 -5.696 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.548 -5.054 5.232 1.00 0.00 H new ATOM 649 N VAL A 46 -15.983 -2.722 1.463 1.00 0.00 N ATOM 650 CA VAL A 46 -15.837 -1.649 0.499 1.00 0.00 C ATOM 651 C VAL A 46 -15.515 -2.196 -0.915 1.00 0.00 C ATOM 652 O VAL A 46 -15.968 -1.644 -1.915 1.00 0.00 O ATOM 653 CB VAL A 46 -14.761 -0.616 0.959 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.795 0.615 0.096 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.969 -0.216 2.407 1.00 0.00 C ATOM 0 H VAL A 46 -15.279 -2.712 2.201 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.794 -1.131 0.442 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.788 -1.098 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -14.036 1.319 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.595 0.339 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.778 1.080 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.205 0.504 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.955 0.234 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.897 -1.099 3.042 1.00 0.00 H new ATOM 665 N MET A 47 -14.779 -3.314 -0.986 1.00 0.00 N ATOM 666 CA MET A 47 -14.429 -3.946 -2.278 1.00 0.00 C ATOM 667 C MET A 47 -15.684 -4.451 -2.993 1.00 0.00 C ATOM 668 O MET A 47 -15.727 -4.537 -4.221 1.00 0.00 O ATOM 669 CB MET A 47 -13.396 -5.097 -2.105 1.00 0.00 C ATOM 670 CG MET A 47 -13.922 -6.335 -1.383 1.00 0.00 C ATOM 671 SD MET A 47 -12.654 -7.596 -1.093 1.00 0.00 S ATOM 672 CE MET A 47 -13.661 -8.894 -0.370 1.00 0.00 C ATOM 0 H MET A 47 -14.412 -3.803 -0.169 1.00 0.00 H new ATOM 0 HA MET A 47 -13.960 -3.179 -2.895 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.038 -5.395 -3.091 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.536 -4.713 -1.556 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.349 -6.034 -0.426 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.730 -6.772 -1.970 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.147 -9.315 0.494 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.619 -8.479 -0.055 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.830 -9.677 -1.109 1.00 0.00 H new ATOM 682 N ALA A 48 -16.720 -4.738 -2.222 1.00 0.00 N ATOM 683 CA ALA A 48 -17.970 -5.200 -2.774 1.00 0.00 C ATOM 684 C ALA A 48 -18.795 -4.011 -3.236 1.00 0.00 C ATOM 685 O ALA A 48 -19.641 -4.130 -4.116 1.00 0.00 O ATOM 686 CB ALA A 48 -18.736 -6.023 -1.753 1.00 0.00 C ATOM 0 H ALA A 48 -16.713 -4.656 -1.205 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.763 -5.841 -3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.676 -6.362 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.139 -6.887 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.944 -5.412 -0.875 1.00 0.00 H new ATOM 692 N ALA A 49 -18.529 -2.866 -2.647 1.00 0.00 N ATOM 693 CA ALA A 49 -19.222 -1.645 -2.992 1.00 0.00 C ATOM 694 C ALA A 49 -18.613 -1.032 -4.238 1.00 0.00 C ATOM 695 O ALA A 49 -19.314 -0.764 -5.221 1.00 0.00 O ATOM 696 CB ALA A 49 -19.165 -0.661 -1.837 1.00 0.00 C ATOM 0 H ALA A 49 -17.827 -2.755 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.267 -1.881 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.691 0.253 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.638 -1.102 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.125 -0.427 -1.609 1.00 0.00 H new ATOM 702 N ALA A 50 -17.315 -0.860 -4.222 1.00 0.00 N ATOM 703 CA ALA A 50 -16.618 -0.270 -5.276 1.00 0.00 C ATOM 704 C ALA A 50 -15.468 -1.175 -5.638 1.00 0.00 C ATOM 705 O ALA A 50 -14.491 -1.256 -4.900 1.00 0.00 O ATOM 706 CB ALA A 50 -16.107 1.080 -4.830 1.00 0.00 C ATOM 0 H ALA A 50 -16.721 -1.143 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.262 -0.131 -6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.560 1.550 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.948 1.712 -4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.443 0.953 -3.975 1.00 0.00 H new ATOM 712 N PRO A 51 -15.578 -1.913 -6.746 1.00 0.00 N ATOM 713 CA PRO A 51 -14.517 -2.815 -7.206 1.00 0.00 C ATOM 714 C PRO A 51 -13.348 -2.056 -7.860 1.00 0.00 C ATOM 715 O PRO A 51 -12.857 -2.413 -8.949 1.00 0.00 O ATOM 716 CB PRO A 51 -15.237 -3.705 -8.212 1.00 0.00 C ATOM 717 CG PRO A 51 -16.335 -2.867 -8.748 1.00 0.00 C ATOM 718 CD PRO A 51 -16.762 -1.965 -7.625 1.00 0.00 C ATOM 0 HA PRO A 51 -14.055 -3.370 -6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.564 -4.028 -9.006 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.624 -4.606 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.998 -2.286 -9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.166 -3.485 -9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.034 -0.974 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.632 -2.362 -7.102 1.00 0.00 H new ATOM 726 N LEU A 52 -12.902 -1.032 -7.174 1.00 0.00 N ATOM 727 CA LEU A 52 -11.753 -0.266 -7.571 1.00 0.00 C ATOM 728 C LEU A 52 -10.517 -0.952 -7.050 1.00 0.00 C ATOM 729 O LEU A 52 -10.615 -1.891 -6.270 1.00 0.00 O ATOM 730 CB LEU A 52 -11.861 1.216 -7.106 1.00 0.00 C ATOM 731 CG LEU A 52 -12.506 1.479 -5.736 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.554 1.241 -4.586 1.00 0.00 C ATOM 733 CD2 LEU A 52 -13.126 2.861 -5.672 1.00 0.00 C ATOM 0 H LEU A 52 -13.336 -0.705 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.696 -0.223 -8.659 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.857 1.640 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.429 1.765 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 52 -13.308 0.749 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.064 1.442 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.216 0.205 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.694 1.904 -4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.573 3.014 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.356 3.613 -5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.895 2.950 -6.439 1.00 0.00 H new ATOM 745 N GLN A 53 -9.389 -0.538 -7.495 1.00 0.00 N ATOM 746 CA GLN A 53 -8.167 -1.152 -7.101 1.00 0.00 C ATOM 747 C GLN A 53 -7.710 -0.665 -5.706 1.00 0.00 C ATOM 748 O GLN A 53 -7.826 0.500 -5.390 1.00 0.00 O ATOM 749 CB GLN A 53 -7.130 -0.878 -8.178 1.00 0.00 C ATOM 750 CG GLN A 53 -6.469 -2.127 -8.651 1.00 0.00 C ATOM 751 CD GLN A 53 -5.674 -2.755 -7.559 1.00 0.00 C ATOM 752 OE1 GLN A 53 -5.583 -3.977 -7.465 1.00 0.00 O ATOM 753 NE2 GLN A 53 -4.997 -1.932 -6.789 1.00 0.00 N ATOM 0 H GLN A 53 -9.282 0.240 -8.146 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.305 -2.229 -7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.607 -0.379 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.376 -0.194 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.223 -2.829 -9.008 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.819 -1.901 -9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.104 -0.924 -6.902 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.365 -2.302 -6.079 1.00 0.00 H new ATOM 762 N TYR A 54 -7.185 -1.571 -4.899 1.00 0.00 N ATOM 763 CA TYR A 54 -6.748 -1.258 -3.540 1.00 0.00 C ATOM 764 C TYR A 54 -5.240 -1.382 -3.409 1.00 0.00 C ATOM 765 O TYR A 54 -4.603 -2.236 -4.067 1.00 0.00 O ATOM 766 CB TYR A 54 -7.448 -2.163 -2.504 1.00 0.00 C ATOM 767 CG TYR A 54 -8.923 -1.877 -2.330 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.838 -2.215 -3.306 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.389 -1.233 -1.199 1.00 0.00 C ATOM 770 CE1 TYR A 54 -11.170 -1.924 -3.162 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.718 -0.927 -1.051 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.602 -1.277 -2.037 1.00 0.00 C ATOM 773 OH TYR A 54 -12.910 -0.940 -1.917 1.00 0.00 O ATOM 0 H TYR A 54 -7.048 -2.547 -5.163 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.030 -0.225 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.324 -3.204 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.950 -2.047 -1.541 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.499 -2.718 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.694 -0.966 -0.417 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.874 -2.204 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.064 -0.415 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.353 -1.035 -2.786 1.00 0.00 H new ATOM 783 N VAL A 55 -4.667 -0.550 -2.586 1.00 0.00 N ATOM 784 CA VAL A 55 -3.246 -0.554 -2.370 1.00 0.00 C ATOM 785 C VAL A 55 -3.032 -0.490 -0.867 1.00 0.00 C ATOM 786 O VAL A 55 -3.973 -0.217 -0.140 1.00 0.00 O ATOM 787 CB VAL A 55 -2.541 0.659 -3.088 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.874 1.991 -2.430 1.00 0.00 C ATOM 789 CG2 VAL A 55 -1.034 0.458 -3.188 1.00 0.00 C ATOM 0 H VAL A 55 -5.172 0.152 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.803 -1.455 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.939 0.692 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.365 2.796 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.951 2.156 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.545 1.976 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.585 1.316 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.613 0.361 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.825 -0.446 -3.759 1.00 0.00 H new ATOM 799 N GLY A 56 -1.854 -0.789 -0.413 1.00 0.00 N ATOM 800 CA GLY A 56 -1.576 -0.677 1.005 1.00 0.00 C ATOM 801 C GLY A 56 -0.230 -0.124 1.279 1.00 0.00 C ATOM 802 O GLY A 56 0.668 -0.306 0.498 1.00 0.00 O ATOM 0 H GLY A 56 -1.073 -1.109 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.328 -0.040 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.662 -1.660 1.467 1.00 0.00 H new ATOM 806 N VAL A 57 -0.097 0.584 2.373 1.00 0.00 N ATOM 807 CA VAL A 57 1.189 1.076 2.825 1.00 0.00 C ATOM 808 C VAL A 57 1.336 0.557 4.239 1.00 0.00 C ATOM 809 O VAL A 57 0.334 0.490 4.951 1.00 0.00 O ATOM 810 CB VAL A 57 1.247 2.648 2.847 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.636 3.167 3.205 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.745 3.263 1.538 1.00 0.00 C ATOM 0 H VAL A 57 -0.877 0.838 2.979 1.00 0.00 H new ATOM 0 HA VAL A 57 1.982 0.743 2.155 1.00 0.00 H new ATOM 0 HB VAL A 57 0.567 2.968 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.628 4.257 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.916 2.804 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.358 2.812 2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.804 4.350 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.363 2.913 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.290 2.965 1.369 1.00 0.00 H new ATOM 822 N PHE A 58 2.512 0.125 4.635 1.00 0.00 N ATOM 823 CA PHE A 58 2.692 -0.338 5.998 1.00 0.00 C ATOM 824 C PHE A 58 4.167 -0.515 6.294 1.00 0.00 C ATOM 825 O PHE A 58 4.993 -0.620 5.375 1.00 0.00 O ATOM 826 CB PHE A 58 1.935 -1.685 6.208 1.00 0.00 C ATOM 827 CG PHE A 58 1.747 -2.097 7.645 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.925 -1.359 8.481 1.00 0.00 C ATOM 829 CD2 PHE A 58 2.371 -3.225 8.155 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.733 -1.732 9.794 1.00 0.00 C ATOM 831 CE2 PHE A 58 2.181 -3.602 9.471 1.00 0.00 C ATOM 832 CZ PHE A 58 1.362 -2.853 10.291 1.00 0.00 C ATOM 0 H PHE A 58 3.345 0.083 4.048 1.00 0.00 H new ATOM 0 HA PHE A 58 2.283 0.405 6.683 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.955 -1.610 5.737 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.479 -2.474 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.428 -0.480 8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.012 -3.815 7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.090 -1.146 10.433 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.673 -4.482 9.857 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.214 -3.145 11.320 1.00 0.00 H new ATOM 842 N ARG A 59 4.516 -0.498 7.562 1.00 0.00 N ATOM 843 CA ARG A 59 5.854 -0.831 7.958 1.00 0.00 C ATOM 844 C ARG A 59 5.886 -2.319 8.103 1.00 0.00 C ATOM 845 O ARG A 59 5.463 -2.867 9.115 1.00 0.00 O ATOM 846 CB ARG A 59 6.273 -0.151 9.262 1.00 0.00 C ATOM 847 CG ARG A 59 6.357 1.357 9.178 1.00 0.00 C ATOM 848 CD ARG A 59 6.907 1.939 10.462 1.00 0.00 C ATOM 849 NE ARG A 59 7.061 3.393 10.383 1.00 0.00 N ATOM 850 CZ ARG A 59 8.072 4.085 10.918 1.00 0.00 C ATOM 851 NH1 ARG A 59 9.093 3.449 11.485 1.00 0.00 N ATOM 852 NH2 ARG A 59 8.077 5.413 10.848 1.00 0.00 N ATOM 0 H ARG A 59 3.889 -0.257 8.330 1.00 0.00 H new ATOM 0 HA ARG A 59 6.563 -0.477 7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.563 -0.421 10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.244 -0.541 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.994 1.644 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.368 1.770 8.981 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.241 1.689 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.872 1.484 10.682 1.00 0.00 H new ATOM 0 HE ARG A 59 6.343 3.917 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.107 2.429 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.862 3.981 11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.310 5.902 10.387 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.848 5.942 11.256 1.00 0.00 H new ATOM 866 N ASN A 60 6.298 -2.956 7.056 1.00 0.00 N ATOM 867 CA ASN A 60 6.266 -4.347 6.951 1.00 0.00 C ATOM 868 C ASN A 60 7.395 -4.941 7.684 1.00 0.00 C ATOM 869 O ASN A 60 8.571 -4.632 7.459 1.00 0.00 O ATOM 870 CB ASN A 60 6.255 -4.812 5.491 1.00 0.00 C ATOM 871 CG ASN A 60 5.025 -4.354 4.717 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.962 -4.144 5.279 1.00 0.00 O ATOM 873 ND2 ASN A 60 5.150 -4.243 3.416 1.00 0.00 N ATOM 0 H ASN A 60 6.676 -2.490 6.231 1.00 0.00 H new ATOM 0 HA ASN A 60 5.335 -4.691 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.149 -4.438 4.992 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.307 -5.900 5.464 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.347 -3.975 2.847 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.051 -4.425 2.973 1.00 0.00 H new ATOM 880 N HIS A 61 7.023 -5.688 8.610 1.00 0.00 N ATOM 881 CA HIS A 61 7.920 -6.484 9.394 1.00 0.00 C ATOM 882 C HIS A 61 7.696 -7.920 8.962 1.00 0.00 C ATOM 883 O HIS A 61 8.572 -8.563 8.372 1.00 0.00 O ATOM 884 CB HIS A 61 7.611 -6.348 10.901 1.00 0.00 C ATOM 885 CG HIS A 61 7.484 -4.934 11.407 1.00 0.00 C ATOM 886 ND1 HIS A 61 6.304 -4.398 11.878 1.00 0.00 N ATOM 887 CD2 HIS A 61 8.409 -3.957 11.535 1.00 0.00 C ATOM 888 CE1 HIS A 61 6.537 -3.147 12.263 1.00 0.00 C ATOM 889 NE2 HIS A 61 7.804 -2.824 12.079 1.00 0.00 N ATOM 0 H HIS A 61 6.045 -5.790 8.882 1.00 0.00 H new ATOM 0 HA HIS A 61 8.950 -6.163 9.242 1.00 0.00 H new ATOM 0 HB2 HIS A 61 6.682 -6.877 11.114 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.399 -6.848 11.463 1.00 0.00 H new ATOM 0 HD2 HIS A 61 9.450 -4.040 11.260 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.789 -2.483 12.672 1.00 0.00 H new ATOM 0 HE2 HIS A 61 8.248 -1.931 12.291 1.00 0.00 H new ATOM 897 N ASP A 62 6.475 -8.383 9.168 1.00 0.00 N ATOM 898 CA ASP A 62 6.078 -9.732 8.825 1.00 0.00 C ATOM 899 C ASP A 62 5.680 -9.844 7.390 1.00 0.00 C ATOM 900 O ASP A 62 4.632 -9.338 6.976 1.00 0.00 O ATOM 901 CB ASP A 62 4.941 -10.266 9.707 1.00 0.00 C ATOM 902 CG ASP A 62 5.411 -10.791 11.032 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.172 -11.789 11.051 1.00 0.00 O ATOM 904 OD2 ASP A 62 5.002 -10.256 12.077 1.00 0.00 O ATOM 0 H ASP A 62 5.727 -7.826 9.582 1.00 0.00 H new ATOM 0 HA ASP A 62 6.961 -10.345 9.005 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.217 -9.469 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.420 -11.061 9.174 1.00 0.00 H new ATOM 909 N ILE A 63 6.499 -10.527 6.632 1.00 0.00 N ATOM 910 CA ILE A 63 6.248 -10.753 5.231 1.00 0.00 C ATOM 911 C ILE A 63 4.994 -11.606 5.027 1.00 0.00 C ATOM 912 O ILE A 63 4.223 -11.379 4.092 1.00 0.00 O ATOM 913 CB ILE A 63 7.484 -11.380 4.526 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.175 -11.654 3.064 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.927 -12.660 5.231 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.384 -11.991 2.233 1.00 0.00 C ATOM 0 H ILE A 63 7.365 -10.945 6.972 1.00 0.00 H new ATOM 0 HA ILE A 63 6.068 -9.784 4.766 1.00 0.00 H new ATOM 0 HB ILE A 63 8.306 -10.666 4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.464 -12.478 3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.686 -10.778 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.793 -13.077 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.192 -12.433 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.112 -13.384 5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.078 -12.173 1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.088 -11.160 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.862 -12.885 2.632 1.00 0.00 H new ATOM 928 N ALA A 64 4.734 -12.503 5.967 1.00 0.00 N ATOM 929 CA ALA A 64 3.595 -13.393 5.888 1.00 0.00 C ATOM 930 C ALA A 64 2.309 -12.614 6.067 1.00 0.00 C ATOM 931 O ALA A 64 1.247 -13.020 5.597 1.00 0.00 O ATOM 932 CB ALA A 64 3.700 -14.472 6.942 1.00 0.00 C ATOM 0 H ALA A 64 5.307 -12.631 6.801 1.00 0.00 H new ATOM 0 HA ALA A 64 3.587 -13.863 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.837 -15.134 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.613 -15.047 6.785 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.726 -14.014 7.931 1.00 0.00 H new ATOM 938 N ASP A 65 2.422 -11.466 6.688 1.00 0.00 N ATOM 939 CA ASP A 65 1.265 -10.650 6.958 1.00 0.00 C ATOM 940 C ASP A 65 0.947 -9.839 5.732 1.00 0.00 C ATOM 941 O ASP A 65 -0.216 -9.601 5.406 1.00 0.00 O ATOM 942 CB ASP A 65 1.502 -9.732 8.140 1.00 0.00 C ATOM 943 CG ASP A 65 0.229 -9.023 8.542 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.543 -9.591 9.332 1.00 0.00 O ATOM 945 OD2 ASP A 65 -0.055 -7.915 8.048 1.00 0.00 O ATOM 0 H ASP A 65 3.305 -11.075 7.016 1.00 0.00 H new ATOM 0 HA ASP A 65 0.426 -11.300 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.882 -10.310 8.983 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.267 -8.998 7.887 1.00 0.00 H new ATOM 950 N VAL A 66 1.998 -9.443 5.034 1.00 0.00 N ATOM 951 CA VAL A 66 1.868 -8.732 3.779 1.00 0.00 C ATOM 952 C VAL A 66 1.175 -9.650 2.789 1.00 0.00 C ATOM 953 O VAL A 66 0.243 -9.244 2.108 1.00 0.00 O ATOM 954 CB VAL A 66 3.249 -8.318 3.209 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.097 -7.449 1.965 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.071 -7.605 4.260 1.00 0.00 C ATOM 0 H VAL A 66 2.963 -9.606 5.323 1.00 0.00 H new ATOM 0 HA VAL A 66 1.293 -7.822 3.948 1.00 0.00 H new ATOM 0 HB VAL A 66 3.775 -9.228 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.083 -7.175 1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.557 -8.004 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.542 -6.546 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.036 -7.324 3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.544 -6.709 4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.227 -8.267 5.111 1.00 0.00 H new ATOM 966 N VAL A 67 1.612 -10.916 2.776 1.00 0.00 N ATOM 967 CA VAL A 67 1.019 -11.945 1.912 1.00 0.00 C ATOM 968 C VAL A 67 -0.453 -12.101 2.248 1.00 0.00 C ATOM 969 O VAL A 67 -1.300 -12.132 1.363 1.00 0.00 O ATOM 970 CB VAL A 67 1.729 -13.322 2.073 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.099 -14.381 1.169 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.205 -13.202 1.768 1.00 0.00 C ATOM 0 H VAL A 67 2.379 -11.254 3.358 1.00 0.00 H new ATOM 0 HA VAL A 67 1.144 -11.621 0.879 1.00 0.00 H new ATOM 0 HB VAL A 67 1.604 -13.635 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.617 -15.330 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.047 -14.501 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.183 -14.068 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.681 -14.175 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.338 -12.856 0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.661 -12.489 2.454 1.00 0.00 H new ATOM 982 N ASP A 68 -0.730 -12.164 3.539 1.00 0.00 N ATOM 983 CA ASP A 68 -2.084 -12.268 4.078 1.00 0.00 C ATOM 984 C ASP A 68 -2.988 -11.178 3.512 1.00 0.00 C ATOM 985 O ASP A 68 -3.926 -11.466 2.774 1.00 0.00 O ATOM 986 CB ASP A 68 -2.027 -12.181 5.614 1.00 0.00 C ATOM 987 CG ASP A 68 -3.374 -12.039 6.286 1.00 0.00 C ATOM 988 OD1 ASP A 68 -4.167 -12.987 6.270 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.631 -10.975 6.914 1.00 0.00 O ATOM 0 H ASP A 68 -0.009 -12.144 4.260 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.507 -13.229 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.537 -13.076 5.998 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.404 -11.331 5.894 1.00 0.00 H new ATOM 994 N LYS A 69 -2.639 -9.939 3.770 1.00 0.00 N ATOM 995 CA LYS A 69 -3.455 -8.791 3.364 1.00 0.00 C ATOM 996 C LYS A 69 -3.554 -8.679 1.848 1.00 0.00 C ATOM 997 O LYS A 69 -4.648 -8.432 1.304 1.00 0.00 O ATOM 998 CB LYS A 69 -2.880 -7.489 3.944 1.00 0.00 C ATOM 999 CG LYS A 69 -2.689 -7.482 5.459 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.990 -7.739 6.182 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.840 -7.689 7.677 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.883 -8.694 8.177 1.00 0.00 N ATOM 0 H LYS A 69 -1.784 -9.686 4.266 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.458 -8.950 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.917 -7.293 3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.541 -6.666 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.960 -8.243 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.282 -6.520 5.771 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.727 -6.999 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.376 -8.716 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.507 -6.694 7.974 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.812 -7.852 8.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.212 -9.061 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.813 -9.476 7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.948 -8.254 8.296 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.436 -8.894 1.173 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.373 -8.795 -0.273 1.00 0.00 C ATOM 1018 C ALA A 70 -3.225 -9.857 -0.942 1.00 0.00 C ATOM 1019 O ALA A 70 -3.764 -9.628 -2.017 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.940 -8.882 -0.752 1.00 0.00 C ATOM 0 H ALA A 70 -1.550 -9.141 1.613 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.776 -7.822 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.914 -8.806 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.361 -8.067 -0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.511 -9.836 -0.445 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.345 -11.003 -0.298 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.157 -12.090 -0.808 1.00 0.00 C ATOM 1028 C LYS A 71 -5.623 -11.833 -0.510 1.00 0.00 C ATOM 1029 O LYS A 71 -6.443 -11.757 -1.425 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.756 -13.410 -0.159 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.510 -14.617 -0.699 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.215 -15.869 0.120 1.00 0.00 C ATOM 1033 CE LYS A 71 -4.939 -15.862 1.470 1.00 0.00 C ATOM 1034 NZ LYS A 71 -6.407 -16.037 1.316 1.00 0.00 N ATOM 0 H LYS A 71 -2.884 -11.205 0.589 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.999 -12.149 -1.885 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.687 -13.566 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.923 -13.341 0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.581 -14.415 -0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.231 -14.787 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.515 -16.751 -0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.141 -15.947 0.286 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.543 -16.660 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.738 -14.922 1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.833 -16.230 2.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.820 -15.169 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.596 -16.835 0.676 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.931 -11.671 0.781 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.305 -11.502 1.271 1.00 0.00 C ATOM 1050 C VAL A 72 -8.030 -10.367 0.557 1.00 0.00 C ATOM 1051 O VAL A 72 -9.097 -10.565 -0.024 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.354 -11.253 2.810 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.781 -11.108 3.294 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.671 -12.369 3.569 1.00 0.00 C ATOM 0 H VAL A 72 -5.230 -11.653 1.521 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.815 -12.440 1.052 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.820 -10.322 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.784 -10.935 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.252 -10.264 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.335 -12.020 3.071 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.722 -12.166 4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.171 -13.314 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.627 -12.433 3.261 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.458 -9.186 0.586 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.108 -8.064 -0.057 1.00 0.00 C ATOM 1066 C LEU A 73 -7.830 -8.078 -1.577 1.00 0.00 C ATOM 1067 O LEU A 73 -8.559 -7.458 -2.357 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.655 -6.751 0.611 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.694 -5.605 0.710 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.051 -5.015 -0.638 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -9.947 -6.102 1.405 1.00 0.00 C ATOM 0 H LEU A 73 -6.566 -8.977 1.035 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.188 -8.143 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.316 -6.986 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.791 -6.375 0.063 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.233 -4.808 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.782 -4.218 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.154 -4.610 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.474 -5.792 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.672 -5.291 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.376 -6.927 0.836 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.695 -6.445 2.408 1.00 0.00 H new ATOM 1083 N SER A 74 -6.816 -8.850 -1.975 1.00 0.00 N ATOM 1084 CA SER A 74 -6.385 -8.953 -3.365 1.00 0.00 C ATOM 1085 C SER A 74 -5.951 -7.570 -3.898 1.00 0.00 C ATOM 1086 O SER A 74 -6.684 -6.882 -4.616 1.00 0.00 O ATOM 1087 CB SER A 74 -7.473 -9.626 -4.224 1.00 0.00 C ATOM 1088 OG SER A 74 -7.867 -10.877 -3.626 1.00 0.00 O ATOM 0 H SER A 74 -6.269 -9.424 -1.334 1.00 0.00 H new ATOM 0 HA SER A 74 -5.508 -9.597 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.337 -8.968 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.098 -9.798 -5.233 1.00 0.00 H new ATOM 0 HG SER A 74 -7.246 -11.104 -2.902 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.781 -7.151 -3.450 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.230 -5.836 -3.736 1.00 0.00 C ATOM 1096 C LEU A 75 -3.459 -5.815 -5.053 1.00 0.00 C ATOM 1097 O LEU A 75 -3.524 -6.760 -5.848 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.293 -5.445 -2.595 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.900 -5.486 -1.200 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.858 -5.164 -0.165 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -5.067 -4.529 -1.093 1.00 0.00 C ATOM 0 H LEU A 75 -4.174 -7.726 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.055 -5.129 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.429 -6.109 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.924 -4.436 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.270 -6.495 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.308 -5.197 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.051 -5.894 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.459 -4.167 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.485 -4.576 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.725 -3.514 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.833 -4.807 -1.817 1.00 0.00 H new ATOM 1113 N ALA A 76 -2.729 -4.736 -5.279 1.00 0.00 N ATOM 1114 CA ALA A 76 -1.941 -4.595 -6.486 1.00 0.00 C ATOM 1115 C ALA A 76 -0.567 -4.238 -6.127 1.00 0.00 C ATOM 1116 O ALA A 76 0.357 -4.684 -6.737 1.00 0.00 O ATOM 1117 CB ALA A 76 -2.489 -3.558 -7.415 1.00 0.00 C ATOM 0 H ALA A 76 -2.667 -3.944 -4.639 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.973 -5.552 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.859 -3.495 -8.302 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.503 -3.831 -7.708 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.505 -2.591 -6.912 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.442 -3.379 -5.153 1.00 0.00 N ATOM 1124 CA ALA A 77 0.826 -2.994 -4.662 1.00 0.00 C ATOM 1125 C ALA A 77 0.748 -2.761 -3.190 1.00 0.00 C ATOM 1126 O ALA A 77 -0.343 -2.598 -2.630 1.00 0.00 O ATOM 1127 CB ALA A 77 1.313 -1.748 -5.349 1.00 0.00 C ATOM 0 H ALA A 77 -1.229 -2.931 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 77 1.532 -3.798 -4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.291 -1.473 -4.953 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.394 -1.931 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.608 -0.936 -5.172 1.00 0.00 H new ATOM 1133 N VAL A 78 1.874 -2.771 -2.581 1.00 0.00 N ATOM 1134 CA VAL A 78 2.007 -2.485 -1.176 1.00 0.00 C ATOM 1135 C VAL A 78 3.264 -1.663 -0.980 1.00 0.00 C ATOM 1136 O VAL A 78 4.273 -1.880 -1.658 1.00 0.00 O ATOM 1137 CB VAL A 78 2.058 -3.774 -0.319 1.00 0.00 C ATOM 1138 CG1 VAL A 78 3.189 -4.678 -0.803 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.236 -3.450 1.167 1.00 0.00 C ATOM 0 H VAL A 78 2.758 -2.982 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 78 1.130 -1.930 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 78 1.108 -4.295 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.218 -5.582 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.019 -4.947 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.139 -4.151 -0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.268 -4.377 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.167 -2.902 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.400 -2.840 1.509 1.00 0.00 H new ATOM 1149 N GLN A 79 3.179 -0.670 -0.164 1.00 0.00 N ATOM 1150 CA GLN A 79 4.235 0.183 0.088 1.00 0.00 C ATOM 1151 C GLN A 79 4.918 -0.209 1.311 1.00 0.00 C ATOM 1152 O GLN A 79 4.324 -0.282 2.390 1.00 0.00 O ATOM 1153 CB GLN A 79 3.779 1.608 0.170 1.00 0.00 C ATOM 1154 CG GLN A 79 3.603 2.289 -1.159 1.00 0.00 C ATOM 1155 CD GLN A 79 2.487 1.713 -1.994 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.364 2.186 -1.941 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.774 0.649 -2.727 1.00 0.00 N ATOM 0 H GLN A 79 2.331 -0.441 0.354 1.00 0.00 H new ATOM 0 HA GLN A 79 4.935 0.109 -0.744 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.832 1.642 0.708 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.501 2.173 0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.409 3.348 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.536 2.220 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.726 0.284 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.043 0.194 -3.274 1.00 0.00 H new ATOM 1166 N LEU A 80 6.137 -0.475 1.148 1.00 0.00 N ATOM 1167 CA LEU A 80 6.957 -0.866 2.199 1.00 0.00 C ATOM 1168 C LEU A 80 7.880 0.298 2.429 1.00 0.00 C ATOM 1169 O LEU A 80 8.355 0.925 1.453 1.00 0.00 O ATOM 1170 CB LEU A 80 7.777 -2.087 1.739 1.00 0.00 C ATOM 1171 CG LEU A 80 8.315 -3.077 2.796 1.00 0.00 C ATOM 1172 CD1 LEU A 80 9.178 -4.111 2.127 1.00 0.00 C ATOM 1173 CD2 LEU A 80 9.078 -2.407 3.924 1.00 0.00 C ATOM 0 H LEU A 80 6.611 -0.425 0.246 1.00 0.00 H new ATOM 0 HA LEU A 80 6.402 -1.129 3.100 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.158 -2.654 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.631 -1.714 1.174 1.00 0.00 H new ATOM 0 HG LEU A 80 7.446 -3.548 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.556 -4.808 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.588 -4.655 1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.016 -3.620 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.426 -3.163 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.934 -1.871 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.423 -1.705 4.440 1.00 0.00 H new ATOM 1185 N HIS A 81 8.097 0.651 3.659 1.00 0.00 N ATOM 1186 CA HIS A 81 9.144 1.590 3.956 1.00 0.00 C ATOM 1187 C HIS A 81 10.436 0.793 3.884 1.00 0.00 C ATOM 1188 O HIS A 81 10.948 0.316 4.881 1.00 0.00 O ATOM 1189 CB HIS A 81 8.956 2.271 5.321 1.00 0.00 C ATOM 1190 CG HIS A 81 7.704 3.104 5.415 1.00 0.00 C ATOM 1191 ND1 HIS A 81 7.652 4.459 5.154 1.00 0.00 N ATOM 1192 CD2 HIS A 81 6.439 2.742 5.743 1.00 0.00 C ATOM 1193 CE1 HIS A 81 6.390 4.866 5.322 1.00 0.00 C ATOM 1194 NE2 HIS A 81 5.611 3.857 5.683 1.00 0.00 N ATOM 0 H HIS A 81 7.574 0.311 4.466 1.00 0.00 H new ATOM 0 HA HIS A 81 9.145 2.415 3.244 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.933 1.507 6.098 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.819 2.905 5.523 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.124 1.744 6.009 1.00 0.00 H new ATOM 0 HE1 HIS A 81 6.051 5.882 5.182 1.00 0.00 H new ATOM 0 HE2 HIS A 81 4.610 3.891 5.877 1.00 0.00 H new ATOM 1202 N GLY A 82 10.876 0.580 2.637 1.00 0.00 N ATOM 1203 CA GLY A 82 11.971 -0.322 2.272 1.00 0.00 C ATOM 1204 C GLY A 82 13.269 -0.130 2.999 1.00 0.00 C ATOM 1205 O GLY A 82 14.123 -0.992 2.953 1.00 0.00 O ATOM 0 H GLY A 82 10.464 1.047 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.637 -1.347 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.159 -0.214 1.204 1.00 0.00 H new ATOM 1209 N ASN A 83 13.389 0.973 3.686 1.00 0.00 N ATOM 1210 CA ASN A 83 14.581 1.358 4.427 1.00 0.00 C ATOM 1211 C ASN A 83 15.019 0.295 5.439 1.00 0.00 C ATOM 1212 O ASN A 83 16.193 0.261 5.831 1.00 0.00 O ATOM 1213 CB ASN A 83 14.383 2.710 5.114 1.00 0.00 C ATOM 1214 CG ASN A 83 14.128 3.850 4.130 1.00 0.00 C ATOM 1215 OD1 ASN A 83 14.605 3.836 2.984 1.00 0.00 O ATOM 1216 ND2 ASN A 83 13.361 4.822 4.547 1.00 0.00 N ATOM 0 H ASN A 83 12.638 1.660 3.754 1.00 0.00 H new ATOM 0 HA ASN A 83 15.386 1.449 3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.543 2.640 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.267 2.942 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.139 5.599 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 83 12.985 4.804 5.495 1.00 0.00 H new ATOM 1223 N GLU A 84 14.058 -0.539 5.875 1.00 0.00 N ATOM 1224 CA GLU A 84 14.270 -1.596 6.872 1.00 0.00 C ATOM 1225 C GLU A 84 15.495 -2.473 6.572 1.00 0.00 C ATOM 1226 O GLU A 84 16.365 -2.649 7.445 1.00 0.00 O ATOM 1227 CB GLU A 84 13.022 -2.483 6.929 1.00 0.00 C ATOM 1228 CG GLU A 84 11.753 -1.751 7.341 1.00 0.00 C ATOM 1229 CD GLU A 84 11.832 -1.215 8.743 1.00 0.00 C ATOM 1230 OE1 GLU A 84 11.541 -1.965 9.683 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.204 -0.032 8.931 1.00 0.00 O ATOM 0 H GLU A 84 13.097 -0.494 5.537 1.00 0.00 H new ATOM 0 HA GLU A 84 14.454 -1.105 7.828 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.866 -2.934 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.201 -3.298 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.570 -0.928 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.903 -2.429 7.261 1.00 0.00 H new ATOM 1238 N GLU A 85 15.594 -2.952 5.340 1.00 0.00 N ATOM 1239 CA GLU A 85 16.681 -3.803 4.884 1.00 0.00 C ATOM 1240 C GLU A 85 16.430 -4.040 3.415 1.00 0.00 C ATOM 1241 O GLU A 85 15.293 -4.098 3.004 1.00 0.00 O ATOM 1242 CB GLU A 85 16.679 -5.107 5.702 1.00 0.00 C ATOM 1243 CG GLU A 85 17.967 -5.900 5.658 1.00 0.00 C ATOM 1244 CD GLU A 85 18.126 -6.739 4.433 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.460 -7.786 4.346 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.891 -6.353 3.530 1.00 0.00 O ATOM 0 H GLU A 85 14.905 -2.755 4.614 1.00 0.00 H new ATOM 0 HA GLU A 85 17.664 -3.353 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.456 -4.864 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.869 -5.741 5.342 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.808 -5.210 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.014 -6.545 6.535 1.00 0.00 H new ATOM 1253 N GLN A 86 17.474 -4.207 2.657 1.00 0.00 N ATOM 1254 CA GLN A 86 17.407 -4.203 1.214 1.00 0.00 C ATOM 1255 C GLN A 86 16.883 -5.493 0.673 1.00 0.00 C ATOM 1256 O GLN A 86 15.950 -5.542 -0.136 1.00 0.00 O ATOM 1257 CB GLN A 86 18.790 -3.973 0.682 1.00 0.00 C ATOM 1258 CG GLN A 86 18.877 -3.785 -0.819 1.00 0.00 C ATOM 1259 CD GLN A 86 20.290 -3.563 -1.280 1.00 0.00 C ATOM 1260 OE1 GLN A 86 20.650 -3.936 -2.384 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.097 -2.951 -0.445 1.00 0.00 N ATOM 0 H GLN A 86 18.414 -4.353 3.024 1.00 0.00 H new ATOM 0 HA GLN A 86 16.723 -3.414 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 86 19.208 -3.091 1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 86 19.417 -4.819 0.964 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.467 -4.663 -1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.262 -2.935 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.756 -2.655 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.065 -2.771 -0.711 1.00 0.00 H new ATOM 1270 N LEU A 87 17.455 -6.519 1.167 1.00 0.00 N ATOM 1271 CA LEU A 87 17.202 -7.870 0.716 1.00 0.00 C ATOM 1272 C LEU A 87 15.844 -8.311 1.159 1.00 0.00 C ATOM 1273 O LEU A 87 15.279 -9.278 0.649 1.00 0.00 O ATOM 1274 CB LEU A 87 18.250 -8.775 1.271 1.00 0.00 C ATOM 1275 CG LEU A 87 19.662 -8.384 0.912 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.642 -9.149 1.752 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.940 -8.595 -0.569 1.00 0.00 C ATOM 0 H LEU A 87 18.138 -6.464 1.922 1.00 0.00 H new ATOM 0 HA LEU A 87 17.236 -7.906 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 87 18.157 -8.797 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.064 -9.788 0.915 1.00 0.00 H new ATOM 0 HG LEU A 87 19.779 -7.320 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.657 -8.857 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.468 -8.929 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.513 -10.217 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.966 -8.303 -0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.799 -9.646 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.254 -7.987 -1.158 1.00 0.00 H new ATOM 1289 N TYR A 88 15.326 -7.596 2.121 1.00 0.00 N ATOM 1290 CA TYR A 88 14.006 -7.794 2.589 1.00 0.00 C ATOM 1291 C TYR A 88 13.016 -7.551 1.462 1.00 0.00 C ATOM 1292 O TYR A 88 12.131 -8.362 1.235 1.00 0.00 O ATOM 1293 CB TYR A 88 13.723 -6.886 3.771 1.00 0.00 C ATOM 1294 CG TYR A 88 12.317 -6.967 4.267 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.696 -8.198 4.449 1.00 0.00 C ATOM 1296 CD2 TYR A 88 11.608 -5.822 4.549 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.411 -8.289 4.903 1.00 0.00 C ATOM 1298 CE2 TYR A 88 10.313 -5.899 5.010 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.717 -7.145 5.191 1.00 0.00 C ATOM 1300 OH TYR A 88 8.423 -7.242 5.641 1.00 0.00 O ATOM 0 H TYR A 88 15.829 -6.850 2.601 1.00 0.00 H new ATOM 0 HA TYR A 88 13.897 -8.825 2.926 1.00 0.00 H new ATOM 0 HB2 TYR A 88 14.401 -7.142 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.940 -5.856 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.242 -9.103 4.226 1.00 0.00 H new ATOM 0 HD2 TYR A 88 12.070 -4.856 4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.947 -9.255 5.034 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.761 -4.997 5.230 1.00 0.00 H new ATOM 0 HH TYR A 88 8.403 -7.764 6.470 1.00 0.00 H new ATOM 1310 N ILE A 89 13.215 -6.477 0.716 1.00 0.00 N ATOM 1311 CA ILE A 89 12.334 -6.150 -0.410 1.00 0.00 C ATOM 1312 C ILE A 89 12.400 -7.271 -1.438 1.00 0.00 C ATOM 1313 O ILE A 89 11.377 -7.711 -1.995 1.00 0.00 O ATOM 1314 CB ILE A 89 12.700 -4.795 -1.103 1.00 0.00 C ATOM 1315 CG1 ILE A 89 12.367 -3.574 -0.237 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.968 -4.664 -2.410 1.00 0.00 C ATOM 1317 CD1 ILE A 89 13.209 -3.409 0.977 1.00 0.00 C ATOM 0 H ILE A 89 13.975 -5.813 0.863 1.00 0.00 H new ATOM 0 HA ILE A 89 11.327 -6.043 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 89 13.778 -4.815 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.462 -2.678 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.323 -3.641 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.232 -3.717 -2.881 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.248 -5.487 -3.068 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.893 -4.693 -2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.894 -2.518 1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 89 13.098 -4.283 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 89 14.254 -3.305 0.684 1.00 0.00 H new ATOM 1329 N ASP A 90 13.597 -7.780 -1.605 1.00 0.00 N ATOM 1330 CA ASP A 90 13.886 -8.862 -2.538 1.00 0.00 C ATOM 1331 C ASP A 90 13.181 -10.151 -2.091 1.00 0.00 C ATOM 1332 O ASP A 90 12.905 -11.039 -2.881 1.00 0.00 O ATOM 1333 CB ASP A 90 15.390 -9.069 -2.579 1.00 0.00 C ATOM 1334 CG ASP A 90 15.836 -10.033 -3.658 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.844 -9.649 -4.838 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.219 -11.185 -3.341 1.00 0.00 O ATOM 0 H ASP A 90 14.416 -7.454 -1.092 1.00 0.00 H new ATOM 0 HA ASP A 90 13.520 -8.605 -3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.877 -8.107 -2.738 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.725 -9.440 -1.610 1.00 0.00 H new ATOM 1341 N THR A 91 12.835 -10.188 -0.827 1.00 0.00 N ATOM 1342 CA THR A 91 12.185 -11.311 -0.212 1.00 0.00 C ATOM 1343 C THR A 91 10.655 -11.258 -0.445 1.00 0.00 C ATOM 1344 O THR A 91 10.029 -12.278 -0.739 1.00 0.00 O ATOM 1345 CB THR A 91 12.511 -11.318 1.290 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.930 -11.475 1.489 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.767 -12.401 1.989 1.00 0.00 C ATOM 0 H THR A 91 13.004 -9.415 -0.184 1.00 0.00 H new ATOM 0 HA THR A 91 12.552 -12.232 -0.664 1.00 0.00 H new ATOM 0 HB THR A 91 12.199 -10.364 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.403 -10.722 1.077 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.014 -12.386 3.050 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.695 -12.246 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.046 -13.366 1.565 1.00 0.00 H new ATOM 1355 N LEU A 92 10.068 -10.057 -0.333 1.00 0.00 N ATOM 1356 CA LEU A 92 8.641 -9.825 -0.569 1.00 0.00 C ATOM 1357 C LEU A 92 8.194 -10.396 -1.883 1.00 0.00 C ATOM 1358 O LEU A 92 7.132 -10.986 -1.979 1.00 0.00 O ATOM 1359 CB LEU A 92 8.286 -8.322 -0.533 1.00 0.00 C ATOM 1360 CG LEU A 92 8.043 -7.662 0.834 1.00 0.00 C ATOM 1361 CD1 LEU A 92 7.001 -8.402 1.583 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.282 -7.617 1.652 1.00 0.00 C ATOM 0 H LEU A 92 10.579 -9.213 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 92 8.118 -10.334 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.092 -7.778 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.389 -8.178 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 92 7.715 -6.640 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.839 -7.924 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.071 -8.396 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.325 -9.431 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.068 -7.143 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.643 -8.631 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.045 -7.043 1.126 1.00 0.00 H new ATOM 1374 N ARG A 93 9.058 -10.267 -2.867 1.00 0.00 N ATOM 1375 CA ARG A 93 8.780 -10.699 -4.239 1.00 0.00 C ATOM 1376 C ARG A 93 8.475 -12.158 -4.294 1.00 0.00 C ATOM 1377 O ARG A 93 7.668 -12.618 -5.076 1.00 0.00 O ATOM 1378 CB ARG A 93 10.013 -10.497 -5.122 1.00 0.00 C ATOM 1379 CG ARG A 93 10.648 -9.150 -4.998 1.00 0.00 C ATOM 1380 CD ARG A 93 9.596 -8.093 -4.985 1.00 0.00 C ATOM 1381 NE ARG A 93 8.651 -8.247 -6.137 1.00 0.00 N ATOM 1382 CZ ARG A 93 8.335 -7.335 -7.064 1.00 0.00 C ATOM 1383 NH1 ARG A 93 8.895 -6.145 -7.076 1.00 0.00 N ATOM 1384 NH2 ARG A 93 7.451 -7.643 -7.991 1.00 0.00 N ATOM 0 H ARG A 93 9.984 -9.857 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 93 7.932 -10.108 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.752 -11.258 -4.872 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.730 -10.657 -6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.238 -9.099 -4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.333 -8.983 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.041 -8.142 -4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.065 -7.110 -5.027 1.00 0.00 H new ATOM 0 HE ARG A 93 8.194 -9.155 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.587 -5.900 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.637 -5.467 -7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 93 7.017 -8.566 -7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.200 -6.958 -8.704 1.00 0.00 H new ATOM 1398 N GLU A 94 9.131 -12.853 -3.444 1.00 0.00 N ATOM 1399 CA GLU A 94 9.107 -14.304 -3.447 1.00 0.00 C ATOM 1400 C GLU A 94 7.824 -14.837 -2.822 1.00 0.00 C ATOM 1401 O GLU A 94 7.237 -15.812 -3.302 1.00 0.00 O ATOM 1402 CB GLU A 94 10.339 -14.848 -2.726 1.00 0.00 C ATOM 1403 CG GLU A 94 11.620 -14.155 -3.163 1.00 0.00 C ATOM 1404 CD GLU A 94 12.873 -14.755 -2.576 1.00 0.00 C ATOM 1405 OE1 GLU A 94 12.866 -15.163 -1.395 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.889 -14.863 -3.315 1.00 0.00 O ATOM 0 H GLU A 94 9.712 -12.447 -2.710 1.00 0.00 H new ATOM 0 HA GLU A 94 9.129 -14.648 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.211 -14.725 -1.651 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.425 -15.918 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.687 -14.190 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.566 -13.103 -2.881 1.00 0.00 H new ATOM 1413 N ALA A 95 7.365 -14.180 -1.789 1.00 0.00 N ATOM 1414 CA ALA A 95 6.171 -14.641 -1.088 1.00 0.00 C ATOM 1415 C ALA A 95 4.886 -14.067 -1.674 1.00 0.00 C ATOM 1416 O ALA A 95 3.793 -14.610 -1.479 1.00 0.00 O ATOM 1417 CB ALA A 95 6.277 -14.394 0.400 1.00 0.00 C ATOM 0 H ALA A 95 7.786 -13.332 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 95 6.114 -15.719 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.372 -14.749 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.140 -14.929 0.797 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.396 -13.326 0.584 1.00 0.00 H new ATOM 1423 N LEU A 96 5.028 -13.019 -2.398 1.00 0.00 N ATOM 1424 CA LEU A 96 3.905 -12.349 -3.031 1.00 0.00 C ATOM 1425 C LEU A 96 3.758 -12.808 -4.462 1.00 0.00 C ATOM 1426 O LEU A 96 4.756 -13.095 -5.132 1.00 0.00 O ATOM 1427 CB LEU A 96 4.063 -10.820 -2.960 1.00 0.00 C ATOM 1428 CG LEU A 96 4.015 -10.208 -1.550 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.283 -8.718 -1.603 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.668 -10.471 -0.900 1.00 0.00 C ATOM 0 H LEU A 96 5.930 -12.581 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 96 2.998 -12.615 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.013 -10.550 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.276 -10.364 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 96 4.793 -10.680 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.244 -8.305 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.270 -8.541 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.528 -8.234 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.653 -10.031 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.879 -10.026 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.504 -11.546 -0.824 1.00 0.00 H new ATOM 1442 N PRO A 97 2.516 -12.982 -4.932 1.00 0.00 N ATOM 1443 CA PRO A 97 2.258 -13.328 -6.317 1.00 0.00 C ATOM 1444 C PRO A 97 2.546 -12.144 -7.219 1.00 0.00 C ATOM 1445 O PRO A 97 2.603 -11.002 -6.759 1.00 0.00 O ATOM 1446 CB PRO A 97 0.764 -13.641 -6.361 1.00 0.00 C ATOM 1447 CG PRO A 97 0.185 -12.944 -5.186 1.00 0.00 C ATOM 1448 CD PRO A 97 1.269 -12.881 -4.144 1.00 0.00 C ATOM 0 HA PRO A 97 2.880 -14.157 -6.654 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.315 -13.287 -7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.585 -14.715 -6.309 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.151 -11.943 -5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.685 -13.481 -4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.227 -11.951 -3.578 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.182 -13.696 -3.425 1.00 0.00 H new ATOM 1456 N ALA A 98 2.630 -12.415 -8.500 1.00 0.00 N ATOM 1457 CA ALA A 98 2.948 -11.420 -9.537 1.00 0.00 C ATOM 1458 C ALA A 98 1.893 -10.313 -9.617 1.00 0.00 C ATOM 1459 O ALA A 98 2.086 -9.284 -10.277 1.00 0.00 O ATOM 1460 CB ALA A 98 3.035 -12.121 -10.873 1.00 0.00 C ATOM 0 H ALA A 98 2.478 -13.351 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 98 3.898 -10.953 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.270 -11.394 -11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 98 3.817 -12.879 -10.836 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.080 -12.596 -11.097 1.00 0.00 H new ATOM 1466 N HIS A 99 0.785 -10.536 -8.954 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.328 -9.613 -8.958 1.00 0.00 C ATOM 1468 C HIS A 99 -0.035 -8.471 -7.998 1.00 0.00 C ATOM 1469 O HIS A 99 -0.527 -7.349 -8.181 1.00 0.00 O ATOM 1470 CB HIS A 99 -1.637 -10.300 -8.494 1.00 0.00 C ATOM 1471 CG HIS A 99 -1.784 -11.750 -8.868 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -1.544 -12.269 -10.119 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -2.083 -12.804 -8.085 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -1.689 -13.594 -10.046 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -2.021 -13.968 -8.827 1.00 0.00 N ATOM 0 H HIS A 99 0.627 -11.371 -8.390 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.457 -9.252 -9.978 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -1.705 -10.215 -7.409 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.481 -9.750 -8.910 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.333 -12.748 -7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.552 -14.270 -10.877 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.196 -14.918 -8.500 1.00 0.00 H new ATOM 1483 N VAL A 100 0.760 -8.758 -6.968 1.00 0.00 N ATOM 1484 CA VAL A 100 1.047 -7.828 -5.964 1.00 0.00 C ATOM 1485 C VAL A 100 2.448 -7.285 -6.159 1.00 0.00 C ATOM 1486 O VAL A 100 3.411 -8.032 -6.287 1.00 0.00 O ATOM 1487 CB VAL A 100 0.933 -8.500 -4.598 1.00 0.00 C ATOM 1488 CG1 VAL A 100 1.216 -7.513 -3.518 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -0.439 -9.133 -4.417 1.00 0.00 C ATOM 0 H VAL A 100 1.211 -9.664 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 100 0.336 -7.004 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 100 1.673 -9.298 -4.539 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.132 -8.002 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.225 -7.119 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.498 -6.695 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.495 -9.605 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.208 -8.364 -4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.598 -9.884 -5.191 1.00 0.00 H new ATOM 1499 N ALA A 101 2.537 -6.008 -6.186 1.00 0.00 N ATOM 1500 CA ALA A 101 3.759 -5.320 -6.399 1.00 0.00 C ATOM 1501 C ALA A 101 4.161 -4.613 -5.131 1.00 0.00 C ATOM 1502 O ALA A 101 3.389 -4.544 -4.177 1.00 0.00 O ATOM 1503 CB ALA A 101 3.580 -4.331 -7.523 1.00 0.00 C ATOM 0 H ALA A 101 1.736 -5.390 -6.056 1.00 0.00 H new ATOM 0 HA ALA A 101 4.545 -6.025 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.516 -3.799 -7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 101 3.295 -4.861 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.799 -3.618 -7.259 1.00 0.00 H new ATOM 1509 N ILE A 102 5.329 -4.063 -5.122 1.00 0.00 N ATOM 1510 CA ILE A 102 5.844 -3.402 -3.968 1.00 0.00 C ATOM 1511 C ILE A 102 6.308 -2.028 -4.370 1.00 0.00 C ATOM 1512 O ILE A 102 7.037 -1.895 -5.333 1.00 0.00 O ATOM 1513 CB ILE A 102 7.078 -4.130 -3.333 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.771 -5.537 -2.731 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.738 -3.219 -2.322 1.00 0.00 C ATOM 1516 CD1 ILE A 102 6.611 -6.666 -3.755 1.00 0.00 C ATOM 0 H ILE A 102 5.960 -4.059 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 102 5.039 -3.386 -3.233 1.00 0.00 H new ATOM 0 HB ILE A 102 7.768 -4.338 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.574 -5.803 -2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.856 -5.470 -2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.596 -3.726 -1.881 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.071 -2.307 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.023 -2.967 -1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.400 -7.601 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.787 -6.432 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.532 -6.770 -4.329 1.00 0.00 H new ATOM 1528 N TRP A 103 5.903 -1.022 -3.667 1.00 0.00 N ATOM 1529 CA TRP A 103 6.436 0.300 -3.948 1.00 0.00 C ATOM 1530 C TRP A 103 7.185 0.764 -2.723 1.00 0.00 C ATOM 1531 O TRP A 103 6.909 0.295 -1.606 1.00 0.00 O ATOM 1532 CB TRP A 103 5.344 1.329 -4.346 1.00 0.00 C ATOM 1533 CG TRP A 103 4.469 0.911 -5.502 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.757 0.002 -6.439 1.00 0.00 C ATOM 1535 CD2 TRP A 103 3.170 1.409 -5.827 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.731 -0.139 -7.307 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.739 0.727 -6.965 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.336 2.350 -5.259 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 1.501 0.958 -7.549 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 1.107 2.593 -5.829 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.699 1.896 -6.966 1.00 0.00 C ATOM 0 H TRP A 103 5.222 -1.070 -2.909 1.00 0.00 H new ATOM 0 HA TRP A 103 7.098 0.230 -4.811 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.710 1.518 -3.479 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.829 2.272 -4.598 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.686 -0.546 -6.495 1.00 0.00 H new ATOM 0 HE1 TRP A 103 3.705 -0.790 -8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.644 2.890 -4.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 1.185 0.417 -8.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.452 3.331 -5.391 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.271 2.103 -7.394 1.00 0.00 H new ATOM 1552 N LYS A 104 8.112 1.651 -2.903 1.00 0.00 N ATOM 1553 CA LYS A 104 8.884 2.139 -1.804 1.00 0.00 C ATOM 1554 C LYS A 104 8.312 3.466 -1.405 1.00 0.00 C ATOM 1555 O LYS A 104 8.314 4.420 -2.196 1.00 0.00 O ATOM 1556 CB LYS A 104 10.410 2.231 -2.181 1.00 0.00 C ATOM 1557 CG LYS A 104 11.400 2.626 -1.037 1.00 0.00 C ATOM 1558 CD LYS A 104 11.365 4.126 -0.693 1.00 0.00 C ATOM 1559 CE LYS A 104 12.227 4.490 0.530 1.00 0.00 C ATOM 1560 NZ LYS A 104 13.668 4.229 0.338 1.00 0.00 N ATOM 0 H LYS A 104 8.354 2.055 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 104 8.830 1.453 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.720 1.265 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.517 2.957 -2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.160 2.050 -0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.413 2.351 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.709 4.698 -1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.334 4.425 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 104 12.086 5.546 0.762 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.876 3.924 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 14.130 4.133 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.792 3.350 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.098 5.020 -0.182 1.00 0.00 H new ATOM 1574 N ALA A 105 7.753 3.498 -0.215 1.00 0.00 N ATOM 1575 CA ALA A 105 7.233 4.715 0.353 1.00 0.00 C ATOM 1576 C ALA A 105 8.404 5.592 0.703 1.00 0.00 C ATOM 1577 O ALA A 105 9.152 5.317 1.654 1.00 0.00 O ATOM 1578 CB ALA A 105 6.383 4.421 1.580 1.00 0.00 C ATOM 0 H ALA A 105 7.648 2.679 0.384 1.00 0.00 H new ATOM 0 HA ALA A 105 6.587 5.221 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.002 5.356 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.547 3.781 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.990 3.916 2.331 1.00 0.00 H new ATOM 1584 N LEU A 106 8.619 6.576 -0.106 1.00 0.00 N ATOM 1585 CA LEU A 106 9.730 7.433 0.030 1.00 0.00 C ATOM 1586 C LEU A 106 9.431 8.539 1.006 1.00 0.00 C ATOM 1587 O LEU A 106 8.677 9.478 0.696 1.00 0.00 O ATOM 1588 CB LEU A 106 10.124 8.004 -1.344 1.00 0.00 C ATOM 1589 CG LEU A 106 11.373 8.895 -1.398 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.620 8.109 -1.022 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.529 9.511 -2.779 1.00 0.00 C ATOM 0 H LEU A 106 8.011 6.804 -0.892 1.00 0.00 H new ATOM 0 HA LEU A 106 10.571 6.860 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 106 10.275 7.168 -2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.281 8.580 -1.726 1.00 0.00 H new ATOM 0 HG LEU A 106 11.247 9.698 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.490 8.764 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.513 7.719 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.752 7.281 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.419 10.139 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.627 8.719 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.652 10.117 -3.008 1.00 0.00 H new ATOM 1748 N PHE A 117 16.693 0.220 -3.273 1.00 0.00 N ATOM 1749 CA PHE A 117 16.114 -1.068 -3.144 1.00 0.00 C ATOM 1750 C PHE A 117 15.670 -1.541 -4.474 1.00 0.00 C ATOM 1751 O PHE A 117 14.788 -0.937 -5.094 1.00 0.00 O ATOM 1752 CB PHE A 117 14.944 -1.008 -2.147 1.00 0.00 C ATOM 1753 CG PHE A 117 15.405 -0.505 -0.821 1.00 0.00 C ATOM 1754 CD1 PHE A 117 16.228 -1.284 -0.074 1.00 0.00 C ATOM 1755 CD2 PHE A 117 15.090 0.765 -0.372 1.00 0.00 C ATOM 1756 CE1 PHE A 117 16.743 -0.842 1.120 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.609 1.232 0.819 1.00 0.00 C ATOM 1758 CZ PHE A 117 16.440 0.423 1.568 1.00 0.00 C ATOM 0 HA PHE A 117 16.849 -1.775 -2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 117 14.161 -0.357 -2.536 1.00 0.00 H new ATOM 0 HB3 PHE A 117 14.506 -2.000 -2.033 1.00 0.00 H new ATOM 0 HD1 PHE A 117 16.483 -2.273 -0.426 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.435 1.394 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 117 17.384 -1.485 1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.366 2.226 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.850 0.781 2.501 1.00 0.00 H new ATOM 1768 N GLN A 118 16.332 -2.550 -4.950 1.00 0.00 N ATOM 1769 CA GLN A 118 15.998 -3.161 -6.165 1.00 0.00 C ATOM 1770 C GLN A 118 14.795 -4.057 -5.903 1.00 0.00 C ATOM 1771 O GLN A 118 14.470 -4.337 -4.742 1.00 0.00 O ATOM 1772 CB GLN A 118 17.163 -3.991 -6.625 1.00 0.00 C ATOM 1773 CG GLN A 118 17.219 -4.200 -8.103 1.00 0.00 C ATOM 1774 CD GLN A 118 18.414 -5.028 -8.538 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.460 -5.008 -7.914 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.270 -5.751 -9.609 1.00 0.00 N ATOM 0 H GLN A 118 17.135 -2.969 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 118 15.764 -2.424 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 118 18.087 -3.511 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.119 -4.963 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 118 16.304 -4.693 -8.430 1.00 0.00 H new ATOM 0 HG3 GLN A 118 17.254 -3.231 -8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.382 -5.748 -10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.045 -6.321 -9.947 1.00 0.00 H new ATOM 1785 N HIS A 119 14.172 -4.502 -6.954 1.00 0.00 N ATOM 1786 CA HIS A 119 12.962 -5.306 -6.882 1.00 0.00 C ATOM 1787 C HIS A 119 11.782 -4.533 -6.320 1.00 0.00 C ATOM 1788 O HIS A 119 10.879 -5.110 -5.704 1.00 0.00 O ATOM 1789 CB HIS A 119 13.152 -6.669 -6.166 1.00 0.00 C ATOM 1790 CG HIS A 119 13.390 -7.824 -7.102 1.00 0.00 C ATOM 1791 ND1 HIS A 119 14.172 -8.922 -6.809 1.00 0.00 N ATOM 1792 CD2 HIS A 119 12.857 -8.070 -8.322 1.00 0.00 C ATOM 1793 CE1 HIS A 119 14.089 -9.778 -7.833 1.00 0.00 C ATOM 1794 NE2 HIS A 119 13.301 -9.307 -8.782 1.00 0.00 N ATOM 0 H HIS A 119 14.486 -4.320 -7.907 1.00 0.00 H new ATOM 0 HA HIS A 119 12.727 -5.549 -7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.994 -6.592 -5.478 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.267 -6.878 -5.564 1.00 0.00 H new ATOM 0 HD1 HIS A 119 14.719 -9.057 -5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 119 12.190 -7.409 -8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 119 14.599 -10.729 -7.878 1.00 0.00 H new ATOM 1802 N VAL A 120 11.767 -3.240 -6.544 1.00 0.00 N ATOM 1803 CA VAL A 120 10.586 -2.460 -6.232 1.00 0.00 C ATOM 1804 C VAL A 120 9.872 -2.156 -7.531 1.00 0.00 C ATOM 1805 O VAL A 120 10.500 -2.063 -8.589 1.00 0.00 O ATOM 1806 CB VAL A 120 10.848 -1.145 -5.427 1.00 0.00 C ATOM 1807 CG1 VAL A 120 11.584 -1.414 -4.131 1.00 0.00 C ATOM 1808 CG2 VAL A 120 11.550 -0.092 -6.254 1.00 0.00 C ATOM 0 H VAL A 120 12.545 -2.709 -6.935 1.00 0.00 H new ATOM 0 HA VAL A 120 9.974 -3.064 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 120 9.869 -0.742 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.746 -0.474 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.991 -2.083 -3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.546 -1.878 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.708 0.801 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 120 12.512 -0.476 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.936 0.160 -7.119 1.00 0.00 H new ATOM 1818 N ASP A 121 8.591 -2.035 -7.462 1.00 0.00 N ATOM 1819 CA ASP A 121 7.778 -1.822 -8.655 1.00 0.00 C ATOM 1820 C ASP A 121 7.699 -0.339 -9.014 1.00 0.00 C ATOM 1821 O ASP A 121 7.844 0.026 -10.170 1.00 0.00 O ATOM 1822 CB ASP A 121 6.389 -2.445 -8.449 1.00 0.00 C ATOM 1823 CG ASP A 121 5.411 -2.286 -9.605 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.465 -3.068 -10.571 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.508 -1.447 -9.524 1.00 0.00 O ATOM 0 H ASP A 121 8.060 -2.078 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 121 8.250 -2.318 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.515 -3.509 -8.249 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.943 -2.004 -7.558 1.00 0.00 H new ATOM 1830 N LYS A 122 7.526 0.502 -8.011 1.00 0.00 N ATOM 1831 CA LYS A 122 7.431 1.969 -8.181 1.00 0.00 C ATOM 1832 C LYS A 122 7.873 2.702 -6.929 1.00 0.00 C ATOM 1833 O LYS A 122 8.009 2.106 -5.855 1.00 0.00 O ATOM 1834 CB LYS A 122 6.012 2.493 -8.596 1.00 0.00 C ATOM 1835 CG LYS A 122 5.815 2.735 -10.100 1.00 0.00 C ATOM 1836 CD LYS A 122 5.209 1.545 -10.812 1.00 0.00 C ATOM 1837 CE LYS A 122 3.730 1.409 -10.490 1.00 0.00 C ATOM 1838 NZ LYS A 122 3.143 0.197 -11.091 1.00 0.00 N ATOM 0 H LYS A 122 7.445 0.199 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 122 8.105 2.183 -9.011 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.265 1.774 -8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.818 3.426 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.172 3.604 -10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.777 2.973 -10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.341 1.655 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.733 0.636 -10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.596 1.379 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.198 2.288 -10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.107 0.235 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.409 0.144 -12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 3.499 -0.644 -10.594 1.00 0.00 H new ATOM 1852 N TYR A 123 8.152 3.971 -7.086 1.00 0.00 N ATOM 1853 CA TYR A 123 8.461 4.854 -5.981 1.00 0.00 C ATOM 1854 C TYR A 123 7.317 5.805 -5.770 1.00 0.00 C ATOM 1855 O TYR A 123 6.769 6.341 -6.729 1.00 0.00 O ATOM 1856 CB TYR A 123 9.738 5.650 -6.229 1.00 0.00 C ATOM 1857 CG TYR A 123 10.985 5.003 -5.702 1.00 0.00 C ATOM 1858 CD1 TYR A 123 11.561 3.903 -6.319 1.00 0.00 C ATOM 1859 CD2 TYR A 123 11.594 5.515 -4.574 1.00 0.00 C ATOM 1860 CE1 TYR A 123 12.715 3.335 -5.815 1.00 0.00 C ATOM 1861 CE2 TYR A 123 12.734 4.961 -4.066 1.00 0.00 C ATOM 1862 CZ TYR A 123 13.296 3.870 -4.681 1.00 0.00 C ATOM 1863 OH TYR A 123 14.462 3.327 -4.177 1.00 0.00 O ATOM 0 H TYR A 123 8.172 4.430 -7.997 1.00 0.00 H new ATOM 0 HA TYR A 123 8.616 4.239 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.851 5.808 -7.302 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.633 6.634 -5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 123 11.102 3.486 -7.203 1.00 0.00 H new ATOM 0 HD2 TYR A 123 11.159 6.373 -4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 123 13.159 2.480 -6.303 1.00 0.00 H new ATOM 0 HE2 TYR A 123 13.192 5.380 -3.182 1.00 0.00 H new ATOM 0 HH TYR A 123 14.735 3.823 -3.377 1.00 0.00 H new ATOM 1873 N VAL A 124 6.941 6.004 -4.543 1.00 0.00 N ATOM 1874 CA VAL A 124 5.853 6.910 -4.217 1.00 0.00 C ATOM 1875 C VAL A 124 6.220 7.719 -3.007 1.00 0.00 C ATOM 1876 O VAL A 124 7.150 7.367 -2.286 1.00 0.00 O ATOM 1877 CB VAL A 124 4.490 6.190 -3.967 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.948 5.552 -5.240 1.00 0.00 C ATOM 1879 CG2 VAL A 124 4.617 5.152 -2.865 1.00 0.00 C ATOM 0 H VAL A 124 7.369 5.552 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 124 5.712 7.550 -5.088 1.00 0.00 H new ATOM 0 HB VAL A 124 3.778 6.950 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.999 5.061 -5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.795 6.322 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.662 4.816 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.654 4.665 -2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.359 4.406 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.930 5.639 -1.941 1.00 0.00 H new ATOM 1889 N LEU A 125 5.515 8.782 -2.792 1.00 0.00 N ATOM 1890 CA LEU A 125 5.757 9.656 -1.675 1.00 0.00 C ATOM 1891 C LEU A 125 5.082 9.100 -0.433 1.00 0.00 C ATOM 1892 O LEU A 125 4.056 8.404 -0.537 1.00 0.00 O ATOM 1893 CB LEU A 125 5.190 11.052 -1.984 1.00 0.00 C ATOM 1894 CG LEU A 125 5.351 12.123 -0.898 1.00 0.00 C ATOM 1895 CD1 LEU A 125 6.812 12.492 -0.699 1.00 0.00 C ATOM 1896 CD2 LEU A 125 4.513 13.349 -1.226 1.00 0.00 C ATOM 0 H LEU A 125 4.744 9.077 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 125 6.831 9.728 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 125 5.666 11.418 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.127 10.946 -2.201 1.00 0.00 H new ATOM 0 HG LEU A 125 4.989 11.707 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.893 13.253 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.373 11.607 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.219 12.881 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.641 14.097 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 125 4.834 13.764 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.462 13.065 -1.289 1.00 0.00 H new