USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 NoAdj-H: A 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 71 GLN : amide:sc= -0.801! C(o=-4!,f=-9.5!) USER MOD Set 1.2: A 119 SER OG : rot -160:sc= -3.17! USER MOD Set 2.1: A 44 MET CE :methyl -159:sc= -0.383 (180deg=-0.445) USER MOD Set 2.2: A 99 HIS : no HE2:sc= -1.04! C(o=-1.4!,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0519 (180deg=-0.42) USER MOD Single : A 1 MET N :NH3+ 168:sc= 1.32 (180deg=0.539) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -73:sc= 1.23 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00674 (180deg=-0.0967) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 85:sc= 0.0601 USER MOD Single : A 43 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 46 TYR OH : rot -151:sc= 1.42 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.0137 (180deg=-0.167) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= -0.0283 (180deg=-0.23) USER MOD Single : A 54 MET CE :methyl 175:sc= -0.441 (180deg=-0.539) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 50:sc= 1.21 USER MOD Single : A 67 ASN : amide:sc= 0.35 K(o=0.35,f=-1.8!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 81:sc= 0.717 USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.0373 (180deg=-0.229) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.064 (180deg=-0.333) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 93 THR OG1 : rot 180:sc= 1 USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 106 LYS NZ :NH3+ -171:sc=-0.00292 (180deg=-0.0675) USER MOD Single : A 109 GLN : amide:sc= -0.0854 K(o=-0.085,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -0.0302 K(o=-0.03,f=-3.4!) USER MOD Single : A 112 ASN : amide:sc= 1.12 K(o=1.1,f=-0.028) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= -0.0228 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.729 8.653 -15.719 1.00 0.00 N ATOM 2 CA MET A 1 16.102 8.946 -15.245 1.00 0.00 C ATOM 3 C MET A 1 16.102 9.188 -13.743 1.00 0.00 C ATOM 4 O MET A 1 16.641 8.391 -12.974 1.00 0.00 O ATOM 5 CB MET A 1 16.683 10.170 -15.966 1.00 0.00 C ATOM 6 CG MET A 1 16.899 9.967 -17.459 1.00 0.00 C ATOM 7 SD MET A 1 15.358 9.876 -18.393 1.00 0.00 S ATOM 8 CE MET A 1 14.771 11.564 -18.259 1.00 0.00 C ATOM 0 H1 MET A 1 14.705 8.691 -16.758 1.00 0.00 H new ATOM 0 H2 MET A 1 14.447 7.704 -15.400 1.00 0.00 H new ATOM 0 H3 MET A 1 14.070 9.358 -15.332 1.00 0.00 H new ATOM 0 HA MET A 1 16.726 8.081 -15.470 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.013 11.017 -15.819 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.635 10.432 -15.504 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.504 10.787 -17.847 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.467 9.050 -17.616 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.021 11.750 -19.028 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.328 11.718 -17.275 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.606 12.251 -18.393 1.00 0.00 H new ATOM 20 N GLU A 2 15.486 10.284 -13.327 1.00 0.00 N ATOM 21 CA GLU A 2 15.388 10.615 -11.917 1.00 0.00 C ATOM 22 C GLU A 2 14.147 9.977 -11.322 1.00 0.00 C ATOM 23 O GLU A 2 13.031 10.214 -11.791 1.00 0.00 O ATOM 24 CB GLU A 2 15.341 12.125 -11.724 1.00 0.00 C ATOM 25 CG GLU A 2 16.526 12.852 -12.330 1.00 0.00 C ATOM 26 CD GLU A 2 17.838 12.482 -11.674 1.00 0.00 C ATOM 27 OE1 GLU A 2 18.165 13.059 -10.616 1.00 0.00 O ATOM 28 OE2 GLU A 2 18.556 11.614 -12.214 1.00 0.00 O ATOM 0 H GLU A 2 15.045 10.961 -13.950 1.00 0.00 H new ATOM 0 HA GLU A 2 16.270 10.228 -11.406 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.423 12.511 -12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 2 15.297 12.345 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.580 12.625 -13.395 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.371 13.927 -12.241 1.00 0.00 H new ATOM 35 N PHE A 3 14.343 9.153 -10.309 1.00 0.00 N ATOM 36 CA PHE A 3 13.232 8.472 -9.662 1.00 0.00 C ATOM 37 C PHE A 3 12.338 9.472 -8.946 1.00 0.00 C ATOM 38 O PHE A 3 12.796 10.259 -8.113 1.00 0.00 O ATOM 39 CB PHE A 3 13.740 7.409 -8.686 1.00 0.00 C ATOM 40 CG PHE A 3 12.642 6.705 -7.943 1.00 0.00 C ATOM 41 CD1 PHE A 3 11.851 5.765 -8.580 1.00 0.00 C ATOM 42 CD2 PHE A 3 12.404 6.985 -6.610 1.00 0.00 C ATOM 43 CE1 PHE A 3 10.837 5.117 -7.899 1.00 0.00 C ATOM 44 CE2 PHE A 3 11.393 6.342 -5.921 1.00 0.00 C ATOM 45 CZ PHE A 3 10.609 5.406 -6.567 1.00 0.00 C ATOM 0 H PHE A 3 15.259 8.938 -9.915 1.00 0.00 H new ATOM 0 HA PHE A 3 12.644 7.973 -10.432 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.326 6.673 -9.236 1.00 0.00 H new ATOM 0 HB3 PHE A 3 14.412 7.878 -7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 3 12.028 5.535 -9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 3 13.016 7.715 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.225 4.387 -8.407 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.216 6.571 -4.880 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.819 4.901 -6.032 1.00 0.00 H new ATOM 55 N THR A 4 11.064 9.443 -9.288 1.00 0.00 N ATOM 56 CA THR A 4 10.099 10.354 -8.704 1.00 0.00 C ATOM 57 C THR A 4 9.340 9.676 -7.576 1.00 0.00 C ATOM 58 O THR A 4 8.575 8.735 -7.799 1.00 0.00 O ATOM 59 CB THR A 4 9.098 10.854 -9.759 1.00 0.00 C ATOM 60 OG1 THR A 4 9.610 10.613 -11.079 1.00 0.00 O ATOM 61 CG2 THR A 4 8.847 12.337 -9.582 1.00 0.00 C ATOM 0 H THR A 4 10.672 8.795 -9.971 1.00 0.00 H new ATOM 0 HA THR A 4 10.651 11.207 -8.310 1.00 0.00 H new ATOM 0 HB THR A 4 8.161 10.313 -9.630 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.965 10.933 -11.744 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.137 12.678 -10.335 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.439 12.521 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.785 12.881 -9.695 1.00 0.00 H new ATOM 69 N VAL A 5 9.564 10.157 -6.366 1.00 0.00 N ATOM 70 CA VAL A 5 8.897 9.608 -5.194 1.00 0.00 C ATOM 71 C VAL A 5 7.540 10.280 -5.022 1.00 0.00 C ATOM 72 O VAL A 5 7.355 11.443 -5.394 1.00 0.00 O ATOM 73 CB VAL A 5 9.739 9.771 -3.891 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.226 9.757 -4.199 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.366 11.021 -3.110 1.00 0.00 C ATOM 0 H VAL A 5 10.203 10.927 -6.167 1.00 0.00 H new ATOM 0 HA VAL A 5 8.772 8.538 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 5 9.505 8.915 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.790 9.872 -3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.491 8.811 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.465 10.578 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.981 11.087 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.534 11.901 -3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.315 10.973 -2.826 1.00 0.00 H new ATOM 85 N SER A 6 6.589 9.538 -4.490 1.00 0.00 N ATOM 86 CA SER A 6 5.253 10.061 -4.266 1.00 0.00 C ATOM 87 C SER A 6 5.145 10.633 -2.853 1.00 0.00 C ATOM 88 O SER A 6 5.099 9.885 -1.877 1.00 0.00 O ATOM 89 CB SER A 6 4.214 8.956 -4.479 1.00 0.00 C ATOM 90 OG SER A 6 4.392 8.325 -5.739 1.00 0.00 O ATOM 0 H SER A 6 6.716 8.567 -4.203 1.00 0.00 H new ATOM 0 HA SER A 6 5.060 10.861 -4.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.297 8.216 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.211 9.379 -4.418 1.00 0.00 H new ATOM 0 HG SER A 6 3.718 7.622 -5.851 1.00 0.00 H new ATOM 96 N THR A 7 5.128 11.957 -2.747 1.00 0.00 N ATOM 97 CA THR A 7 5.070 12.619 -1.450 1.00 0.00 C ATOM 98 C THR A 7 3.651 12.626 -0.888 1.00 0.00 C ATOM 99 O THR A 7 2.714 12.162 -1.543 1.00 0.00 O ATOM 100 CB THR A 7 5.579 14.074 -1.533 1.00 0.00 C ATOM 101 OG1 THR A 7 4.779 14.826 -2.456 1.00 0.00 O ATOM 102 CG2 THR A 7 7.033 14.113 -1.976 1.00 0.00 C ATOM 0 H THR A 7 5.154 12.593 -3.544 1.00 0.00 H new ATOM 0 HA THR A 7 5.718 12.049 -0.784 1.00 0.00 H new ATOM 0 HB THR A 7 5.501 14.517 -0.540 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.987 14.547 -3.372 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.370 15.148 -2.027 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.646 13.567 -1.259 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.126 13.652 -2.959 1.00 0.00 H new ATOM 110 N THR A 8 3.499 13.154 0.319 1.00 0.00 N ATOM 111 CA THR A 8 2.199 13.270 0.960 1.00 0.00 C ATOM 112 C THR A 8 1.189 13.984 0.060 1.00 0.00 C ATOM 113 O THR A 8 0.067 13.510 -0.128 1.00 0.00 O ATOM 114 CB THR A 8 2.323 14.020 2.299 1.00 0.00 C ATOM 115 OG1 THR A 8 3.278 13.358 3.146 1.00 0.00 O ATOM 116 CG2 THR A 8 0.979 14.095 2.997 1.00 0.00 C ATOM 0 H THR A 8 4.272 13.513 0.879 1.00 0.00 H new ATOM 0 HA THR A 8 1.836 12.259 1.145 1.00 0.00 H new ATOM 0 HB THR A 8 2.665 15.035 2.096 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.353 13.842 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.089 14.629 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.268 14.623 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.613 13.087 3.191 1.00 0.00 H new ATOM 124 N GLU A 9 1.602 15.105 -0.518 1.00 0.00 N ATOM 125 CA GLU A 9 0.726 15.889 -1.375 1.00 0.00 C ATOM 126 C GLU A 9 0.315 15.084 -2.603 1.00 0.00 C ATOM 127 O GLU A 9 -0.846 15.118 -3.015 1.00 0.00 O ATOM 128 CB GLU A 9 1.400 17.194 -1.800 1.00 0.00 C ATOM 129 CG GLU A 9 0.460 18.155 -2.507 1.00 0.00 C ATOM 130 CD GLU A 9 1.138 19.448 -2.906 1.00 0.00 C ATOM 131 OE1 GLU A 9 1.731 20.109 -2.027 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.078 19.814 -4.097 1.00 0.00 O ATOM 0 H GLU A 9 2.540 15.491 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.169 16.136 -0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.814 17.684 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.237 16.964 -2.460 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.055 17.672 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.383 18.378 -1.854 1.00 0.00 H new ATOM 139 N ASP A 10 1.265 14.347 -3.180 1.00 0.00 N ATOM 140 CA ASP A 10 0.972 13.497 -4.333 1.00 0.00 C ATOM 141 C ASP A 10 -0.018 12.416 -3.936 1.00 0.00 C ATOM 142 O ASP A 10 -0.930 12.082 -4.691 1.00 0.00 O ATOM 143 CB ASP A 10 2.229 12.824 -4.896 1.00 0.00 C ATOM 144 CG ASP A 10 3.314 13.797 -5.304 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.077 14.630 -6.200 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.430 13.709 -4.747 1.00 0.00 O ATOM 0 H ASP A 10 2.237 14.322 -2.870 1.00 0.00 H new ATOM 0 HA ASP A 10 0.555 14.142 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.630 12.141 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.951 12.222 -5.761 1.00 0.00 H new ATOM 151 N LEU A 11 0.161 11.885 -2.732 1.00 0.00 N ATOM 152 CA LEU A 11 -0.693 10.825 -2.227 1.00 0.00 C ATOM 153 C LEU A 11 -2.125 11.316 -2.052 1.00 0.00 C ATOM 154 O LEU A 11 -3.078 10.588 -2.329 1.00 0.00 O ATOM 155 CB LEU A 11 -0.148 10.273 -0.907 1.00 0.00 C ATOM 156 CG LEU A 11 -1.005 9.180 -0.282 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.052 7.972 -1.196 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.472 8.801 1.088 1.00 0.00 C ATOM 0 H LEU A 11 0.895 12.176 -2.087 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.698 10.019 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.854 9.879 -1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.051 11.094 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.019 9.558 -0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.667 7.195 -0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.481 8.259 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.042 7.592 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.098 8.019 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.551 8.436 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.486 9.676 1.739 1.00 0.00 H new ATOM 170 N GLN A 12 -2.272 12.562 -1.622 1.00 0.00 N ATOM 171 CA GLN A 12 -3.593 13.139 -1.412 1.00 0.00 C ATOM 172 C GLN A 12 -4.282 13.382 -2.750 1.00 0.00 C ATOM 173 O GLN A 12 -5.513 13.422 -2.838 1.00 0.00 O ATOM 174 CB GLN A 12 -3.495 14.438 -0.609 1.00 0.00 C ATOM 175 CG GLN A 12 -3.003 14.236 0.818 1.00 0.00 C ATOM 176 CD GLN A 12 -2.910 15.528 1.604 1.00 0.00 C ATOM 177 OE1 GLN A 12 -1.875 16.195 1.612 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.987 15.883 2.283 1.00 0.00 N ATOM 0 H GLN A 12 -1.496 13.190 -1.413 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.192 12.432 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.821 15.123 -1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.475 14.914 -0.583 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.676 13.551 1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.022 13.761 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.825 15.302 2.250 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.980 16.737 2.840 1.00 0.00 H new ATOM 187 N ARG A 13 -3.473 13.523 -3.789 1.00 0.00 N ATOM 188 CA ARG A 13 -3.971 13.691 -5.143 1.00 0.00 C ATOM 189 C ARG A 13 -4.595 12.389 -5.634 1.00 0.00 C ATOM 190 O ARG A 13 -5.747 12.364 -6.072 1.00 0.00 O ATOM 191 CB ARG A 13 -2.825 14.101 -6.063 1.00 0.00 C ATOM 192 CG ARG A 13 -3.248 14.450 -7.477 1.00 0.00 C ATOM 193 CD ARG A 13 -2.034 14.730 -8.349 1.00 0.00 C ATOM 194 NE ARG A 13 -1.087 15.630 -7.685 1.00 0.00 N ATOM 195 CZ ARG A 13 0.204 15.350 -7.493 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.735 14.241 -7.995 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.974 16.191 -6.816 1.00 0.00 N ATOM 0 H ARG A 13 -2.456 13.524 -3.716 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.733 14.471 -5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.316 14.960 -5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.100 13.288 -6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.825 13.629 -7.902 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.900 15.324 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.536 13.791 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.357 15.172 -9.292 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.436 16.527 -7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.155 13.596 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.722 14.035 -7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.580 17.054 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.960 15.975 -6.670 1.00 0.00 H new ATOM 211 N TYR A 14 -3.830 11.303 -5.532 1.00 0.00 N ATOM 212 CA TYR A 14 -4.299 9.988 -5.959 1.00 0.00 C ATOM 213 C TYR A 14 -5.499 9.548 -5.136 1.00 0.00 C ATOM 214 O TYR A 14 -6.441 8.968 -5.670 1.00 0.00 O ATOM 215 CB TYR A 14 -3.190 8.939 -5.845 1.00 0.00 C ATOM 216 CG TYR A 14 -1.927 9.303 -6.598 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.688 9.306 -5.972 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.983 9.653 -7.940 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.460 9.652 -6.661 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.842 9.996 -8.636 1.00 0.00 C ATOM 221 CZ TYR A 14 0.377 9.994 -7.993 1.00 0.00 C ATOM 222 OH TYR A 14 1.517 10.340 -8.684 1.00 0.00 O ATOM 0 H TYR A 14 -2.882 11.309 -5.157 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.594 10.073 -7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.946 8.794 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.564 7.986 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.619 9.033 -4.929 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.936 9.657 -8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.416 9.654 -6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.904 10.265 -9.680 1.00 0.00 H new ATOM 0 HH TYR A 14 1.285 10.552 -9.612 1.00 0.00 H new ATOM 232 N ARG A 15 -5.470 9.842 -3.837 1.00 0.00 N ATOM 233 CA ARG A 15 -6.568 9.474 -2.951 1.00 0.00 C ATOM 234 C ARG A 15 -7.865 10.114 -3.433 1.00 0.00 C ATOM 235 O ARG A 15 -8.907 9.467 -3.491 1.00 0.00 O ATOM 236 CB ARG A 15 -6.254 9.875 -1.495 1.00 0.00 C ATOM 237 CG ARG A 15 -7.442 10.460 -0.729 1.00 0.00 C ATOM 238 CD ARG A 15 -7.058 10.922 0.678 1.00 0.00 C ATOM 239 NE ARG A 15 -6.454 9.854 1.475 1.00 0.00 N ATOM 240 CZ ARG A 15 -5.901 10.045 2.677 1.00 0.00 C ATOM 241 NH1 ARG A 15 -5.881 11.256 3.223 1.00 0.00 N ATOM 242 NH2 ARG A 15 -5.360 9.033 3.333 1.00 0.00 N ATOM 0 H ARG A 15 -4.701 10.331 -3.379 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.691 8.391 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.889 8.998 -0.960 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.445 10.605 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.851 11.303 -1.286 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.231 9.711 -0.660 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.359 11.755 0.605 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.946 11.294 1.189 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.455 8.909 1.091 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.289 12.047 2.725 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.457 11.395 4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.363 8.099 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.940 9.186 4.250 1.00 0.00 H new ATOM 256 N THR A 16 -7.767 11.379 -3.817 1.00 0.00 N ATOM 257 CA THR A 16 -8.906 12.140 -4.289 1.00 0.00 C ATOM 258 C THR A 16 -9.505 11.521 -5.551 1.00 0.00 C ATOM 259 O THR A 16 -10.711 11.262 -5.620 1.00 0.00 O ATOM 260 CB THR A 16 -8.480 13.590 -4.576 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.123 14.242 -3.349 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.581 14.361 -5.281 1.00 0.00 C ATOM 0 H THR A 16 -6.892 11.904 -3.809 1.00 0.00 H new ATOM 0 HA THR A 16 -9.668 12.126 -3.509 1.00 0.00 H new ATOM 0 HB THR A 16 -7.615 13.567 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.213 13.984 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.248 15.382 -5.469 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.816 13.876 -6.228 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.471 14.380 -4.653 1.00 0.00 H new ATOM 270 N GLU A 17 -8.655 11.268 -6.536 1.00 0.00 N ATOM 271 CA GLU A 17 -9.115 10.745 -7.816 1.00 0.00 C ATOM 272 C GLU A 17 -9.682 9.332 -7.662 1.00 0.00 C ATOM 273 O GLU A 17 -10.710 9.003 -8.256 1.00 0.00 O ATOM 274 CB GLU A 17 -7.983 10.794 -8.862 1.00 0.00 C ATOM 275 CG GLU A 17 -7.888 9.563 -9.749 1.00 0.00 C ATOM 276 CD GLU A 17 -6.923 9.756 -10.897 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.708 9.555 -10.703 1.00 0.00 O ATOM 278 OE2 GLU A 17 -7.378 10.119 -12.002 1.00 0.00 O ATOM 0 H GLU A 17 -7.648 11.415 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.925 11.380 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.127 11.671 -9.494 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.033 10.927 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.570 8.710 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.876 9.325 -10.144 1.00 0.00 H new ATOM 285 N CYS A 18 -9.027 8.509 -6.848 1.00 0.00 N ATOM 286 CA CYS A 18 -9.498 7.150 -6.595 1.00 0.00 C ATOM 287 C CYS A 18 -10.837 7.165 -5.867 1.00 0.00 C ATOM 288 O CYS A 18 -11.688 6.309 -6.105 1.00 0.00 O ATOM 289 CB CYS A 18 -8.472 6.346 -5.796 1.00 0.00 C ATOM 290 SG CYS A 18 -6.934 6.001 -6.711 1.00 0.00 S ATOM 0 H CYS A 18 -8.171 8.758 -6.353 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.633 6.665 -7.562 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.227 6.891 -4.885 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.922 5.401 -5.491 1.00 0.00 H new ATOM 295 N VAL A 19 -11.031 8.156 -5.004 1.00 0.00 N ATOM 296 CA VAL A 19 -12.278 8.295 -4.270 1.00 0.00 C ATOM 297 C VAL A 19 -13.426 8.607 -5.219 1.00 0.00 C ATOM 298 O VAL A 19 -14.427 7.890 -5.255 1.00 0.00 O ATOM 299 CB VAL A 19 -12.175 9.381 -3.170 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.547 9.925 -2.799 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.484 8.813 -1.941 1.00 0.00 C ATOM 0 H VAL A 19 -10.338 8.875 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.478 7.343 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.583 10.207 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.440 10.685 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.013 10.367 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.172 9.113 -2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.416 9.584 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.058 7.969 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.482 8.479 -2.209 1.00 0.00 H new ATOM 311 N SER A 20 -13.251 9.653 -6.011 1.00 0.00 N ATOM 312 CA SER A 20 -14.279 10.092 -6.941 1.00 0.00 C ATOM 313 C SER A 20 -14.534 9.047 -8.036 1.00 0.00 C ATOM 314 O SER A 20 -15.602 9.026 -8.645 1.00 0.00 O ATOM 315 CB SER A 20 -13.857 11.428 -7.560 1.00 0.00 C ATOM 316 OG SER A 20 -14.889 11.993 -8.353 1.00 0.00 O ATOM 0 H SER A 20 -12.401 10.217 -6.028 1.00 0.00 H new ATOM 0 HA SER A 20 -15.213 10.218 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.585 12.125 -6.768 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.968 11.279 -8.173 1.00 0.00 H new ATOM 0 HG SER A 20 -14.583 12.845 -8.729 1.00 0.00 H new ATOM 322 N SER A 21 -13.559 8.173 -8.275 1.00 0.00 N ATOM 323 CA SER A 21 -13.677 7.170 -9.324 1.00 0.00 C ATOM 324 C SER A 21 -14.354 5.901 -8.802 1.00 0.00 C ATOM 325 O SER A 21 -15.284 5.384 -9.418 1.00 0.00 O ATOM 326 CB SER A 21 -12.292 6.839 -9.879 1.00 0.00 C ATOM 327 OG SER A 21 -12.374 6.027 -11.035 1.00 0.00 O ATOM 0 H SER A 21 -12.681 8.141 -7.756 1.00 0.00 H new ATOM 0 HA SER A 21 -14.299 7.578 -10.121 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.765 7.763 -10.119 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.706 6.328 -9.115 1.00 0.00 H new ATOM 0 HG SER A 21 -11.471 5.835 -11.365 1.00 0.00 H new ATOM 333 N LEU A 22 -13.895 5.406 -7.655 1.00 0.00 N ATOM 334 CA LEU A 22 -14.425 4.166 -7.097 1.00 0.00 C ATOM 335 C LEU A 22 -15.689 4.411 -6.277 1.00 0.00 C ATOM 336 O LEU A 22 -16.155 3.521 -5.564 1.00 0.00 O ATOM 337 CB LEU A 22 -13.361 3.484 -6.239 1.00 0.00 C ATOM 338 CG LEU A 22 -12.201 2.885 -7.026 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.072 2.492 -6.091 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.675 1.678 -7.813 1.00 0.00 C ATOM 0 H LEU A 22 -13.161 5.842 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.693 3.513 -7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.965 4.210 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.834 2.694 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.827 3.636 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.252 2.066 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.719 3.374 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.433 1.754 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.839 1.257 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.067 0.927 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.459 1.981 -8.507 1.00 0.00 H new ATOM 352 N ASN A 23 -16.234 5.625 -6.390 1.00 0.00 N ATOM 353 CA ASN A 23 -17.469 6.008 -5.696 1.00 0.00 C ATOM 354 C ASN A 23 -17.338 5.829 -4.187 1.00 0.00 C ATOM 355 O ASN A 23 -18.310 5.506 -3.505 1.00 0.00 O ATOM 356 CB ASN A 23 -18.657 5.189 -6.212 1.00 0.00 C ATOM 357 CG ASN A 23 -18.864 5.334 -7.705 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.306 4.575 -8.497 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.669 6.304 -8.102 1.00 0.00 N ATOM 0 H ASN A 23 -15.834 6.369 -6.963 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.645 7.063 -5.904 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.499 4.138 -5.972 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.562 5.503 -5.692 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.847 6.444 -9.097 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.113 6.912 -7.414 1.00 0.00 H new ATOM 366 N ILE A 24 -16.129 6.042 -3.676 1.00 0.00 N ATOM 367 CA ILE A 24 -15.848 5.871 -2.261 1.00 0.00 C ATOM 368 C ILE A 24 -16.633 6.883 -1.430 1.00 0.00 C ATOM 369 O ILE A 24 -16.495 8.092 -1.617 1.00 0.00 O ATOM 370 CB ILE A 24 -14.341 6.039 -1.968 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.498 5.160 -2.909 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.046 5.699 -0.512 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.725 3.671 -2.739 1.00 0.00 C ATOM 0 H ILE A 24 -15.324 6.336 -4.229 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.153 4.861 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.071 7.080 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.720 5.434 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.443 5.377 -2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.980 5.821 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.612 6.365 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.334 4.667 -0.314 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.093 3.124 -3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.474 3.379 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.771 3.438 -2.936 1.00 0.00 H new ATOM 385 N PRO A 25 -17.483 6.395 -0.513 1.00 0.00 N ATOM 386 CA PRO A 25 -18.271 7.253 0.374 1.00 0.00 C ATOM 387 C PRO A 25 -17.386 8.145 1.239 1.00 0.00 C ATOM 388 O PRO A 25 -16.339 7.719 1.737 1.00 0.00 O ATOM 389 CB PRO A 25 -19.047 6.268 1.249 1.00 0.00 C ATOM 390 CG PRO A 25 -19.017 4.974 0.519 1.00 0.00 C ATOM 391 CD PRO A 25 -17.745 4.967 -0.281 1.00 0.00 C ATOM 0 HA PRO A 25 -18.913 7.932 -0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.589 6.173 2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.071 6.606 1.406 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.043 4.135 1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.886 4.875 -0.132 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.930 4.492 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.862 4.422 -1.218 1.00 0.00 H new ATOM 399 N ALA A 26 -17.837 9.385 1.409 1.00 0.00 N ATOM 400 CA ALA A 26 -17.109 10.405 2.162 1.00 0.00 C ATOM 401 C ALA A 26 -16.777 9.941 3.575 1.00 0.00 C ATOM 402 O ALA A 26 -15.784 10.377 4.155 1.00 0.00 O ATOM 403 CB ALA A 26 -17.930 11.677 2.215 1.00 0.00 C ATOM 0 H ALA A 26 -18.724 9.713 1.026 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.166 10.591 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.387 12.437 2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.112 12.035 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.882 11.475 2.705 1.00 0.00 H new ATOM 409 N ASP A 27 -17.627 9.076 4.124 1.00 0.00 N ATOM 410 CA ASP A 27 -17.388 8.484 5.440 1.00 0.00 C ATOM 411 C ASP A 27 -16.048 7.753 5.480 1.00 0.00 C ATOM 412 O ASP A 27 -15.246 7.956 6.391 1.00 0.00 O ATOM 413 CB ASP A 27 -18.509 7.518 5.806 1.00 0.00 C ATOM 414 CG ASP A 27 -18.297 6.888 7.168 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.573 7.561 8.186 1.00 0.00 O ATOM 416 OD2 ASP A 27 -17.857 5.724 7.231 1.00 0.00 O ATOM 0 H ASP A 27 -18.490 8.768 3.677 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.364 9.296 6.167 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.461 8.048 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.573 6.735 5.051 1.00 0.00 H new ATOM 421 N TYR A 28 -15.812 6.903 4.482 1.00 0.00 N ATOM 422 CA TYR A 28 -14.559 6.171 4.374 1.00 0.00 C ATOM 423 C TYR A 28 -13.375 7.122 4.235 1.00 0.00 C ATOM 424 O TYR A 28 -12.296 6.860 4.759 1.00 0.00 O ATOM 425 CB TYR A 28 -14.613 5.208 3.187 1.00 0.00 C ATOM 426 CG TYR A 28 -15.429 3.966 3.466 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.821 2.778 3.856 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.812 3.986 3.347 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.570 1.647 4.117 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.568 2.861 3.606 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.943 1.694 3.990 1.00 0.00 C ATOM 432 OH TYR A 28 -17.696 0.573 4.251 1.00 0.00 O ATOM 0 H TYR A 28 -16.478 6.706 3.735 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.420 5.597 5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.034 5.726 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.598 4.916 2.918 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.746 2.739 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.305 4.899 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -15.084 0.731 4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.643 2.895 3.508 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.645 0.777 4.115 1.00 0.00 H new ATOM 442 N VAL A 29 -13.592 8.227 3.531 1.00 0.00 N ATOM 443 CA VAL A 29 -12.560 9.239 3.342 1.00 0.00 C ATOM 444 C VAL A 29 -12.071 9.789 4.685 1.00 0.00 C ATOM 445 O VAL A 29 -10.867 9.949 4.897 1.00 0.00 O ATOM 446 CB VAL A 29 -13.073 10.389 2.458 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.995 11.442 2.262 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.539 9.847 1.120 1.00 0.00 C ATOM 0 H VAL A 29 -14.480 8.445 3.079 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.720 8.759 2.839 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.918 10.862 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.381 12.245 1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.702 11.848 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.128 10.990 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.900 10.668 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.707 9.353 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.345 9.130 1.278 1.00 0.00 H new ATOM 458 N GLU A 30 -13.007 10.059 5.598 1.00 0.00 N ATOM 459 CA GLU A 30 -12.660 10.530 6.940 1.00 0.00 C ATOM 460 C GLU A 30 -11.800 9.500 7.666 1.00 0.00 C ATOM 461 O GLU A 30 -10.891 9.856 8.418 1.00 0.00 O ATOM 462 CB GLU A 30 -13.908 10.816 7.771 1.00 0.00 C ATOM 463 CG GLU A 30 -14.981 11.567 7.013 1.00 0.00 C ATOM 464 CD GLU A 30 -16.110 12.024 7.911 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.906 12.984 8.684 1.00 0.00 O ATOM 466 OE2 GLU A 30 -17.208 11.430 7.852 1.00 0.00 O ATOM 0 H GLU A 30 -14.009 9.960 5.433 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.098 11.456 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.320 9.873 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.624 11.394 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.537 12.433 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.382 10.927 6.227 1.00 0.00 H new ATOM 473 N LYS A 31 -12.089 8.224 7.430 1.00 0.00 N ATOM 474 CA LYS A 31 -11.314 7.144 8.029 1.00 0.00 C ATOM 475 C LYS A 31 -9.873 7.196 7.542 1.00 0.00 C ATOM 476 O LYS A 31 -8.942 7.244 8.340 1.00 0.00 O ATOM 477 CB LYS A 31 -11.904 5.777 7.694 1.00 0.00 C ATOM 478 CG LYS A 31 -13.328 5.583 8.178 1.00 0.00 C ATOM 479 CD LYS A 31 -13.811 4.171 7.896 1.00 0.00 C ATOM 480 CE LYS A 31 -15.304 4.028 8.157 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.622 4.045 9.608 1.00 0.00 N ATOM 0 H LYS A 31 -12.853 7.913 6.829 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.347 7.281 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.876 5.636 6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.274 5.003 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.383 5.783 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.984 6.301 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.596 3.912 6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.262 3.466 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.838 4.838 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.660 3.096 7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.649 3.945 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.134 3.257 10.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.306 4.945 10.022 1.00 0.00 H new ATOM 495 N PHE A 32 -9.707 7.211 6.221 1.00 0.00 N ATOM 496 CA PHE A 32 -8.384 7.215 5.599 1.00 0.00 C ATOM 497 C PHE A 32 -7.585 8.441 6.029 1.00 0.00 C ATOM 498 O PHE A 32 -6.361 8.386 6.155 1.00 0.00 O ATOM 499 CB PHE A 32 -8.512 7.179 4.074 1.00 0.00 C ATOM 500 CG PHE A 32 -9.396 6.070 3.567 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.212 6.265 2.464 1.00 0.00 C ATOM 502 CD2 PHE A 32 -9.417 4.838 4.200 1.00 0.00 C ATOM 503 CE1 PHE A 32 -11.030 5.250 2.002 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.232 3.822 3.744 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.040 4.027 2.644 1.00 0.00 C ATOM 0 H PHE A 32 -10.480 7.221 5.555 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.851 6.324 5.930 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.908 8.134 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.519 7.069 3.637 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.209 7.220 1.960 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.787 4.670 5.061 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.660 5.413 1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.238 2.867 4.248 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.679 3.233 2.286 1.00 0.00 H new ATOM 515 N LYS A 33 -8.292 9.539 6.271 1.00 0.00 N ATOM 516 CA LYS A 33 -7.680 10.769 6.754 1.00 0.00 C ATOM 517 C LYS A 33 -6.973 10.528 8.090 1.00 0.00 C ATOM 518 O LYS A 33 -5.971 11.172 8.400 1.00 0.00 O ATOM 519 CB LYS A 33 -8.746 11.854 6.914 1.00 0.00 C ATOM 520 CG LYS A 33 -8.169 13.259 6.938 1.00 0.00 C ATOM 521 CD LYS A 33 -9.260 14.322 6.967 1.00 0.00 C ATOM 522 CE LYS A 33 -10.107 14.242 8.229 1.00 0.00 C ATOM 523 NZ LYS A 33 -9.319 14.532 9.456 1.00 0.00 N ATOM 0 H LYS A 33 -9.301 9.601 6.138 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.940 11.099 6.025 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.461 11.776 6.095 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.298 11.679 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.528 13.373 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.540 13.408 6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.804 15.310 6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.901 14.206 6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.933 14.949 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.545 13.247 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.962 14.616 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.645 13.759 9.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.799 15.424 9.332 1.00 0.00 H new ATOM 537 N LYS A 34 -7.490 9.582 8.868 1.00 0.00 N ATOM 538 CA LYS A 34 -6.899 9.236 10.158 1.00 0.00 C ATOM 539 C LYS A 34 -6.129 7.920 10.068 1.00 0.00 C ATOM 540 O LYS A 34 -5.815 7.305 11.088 1.00 0.00 O ATOM 541 CB LYS A 34 -7.983 9.131 11.237 1.00 0.00 C ATOM 542 CG LYS A 34 -8.560 10.471 11.664 1.00 0.00 C ATOM 543 CD LYS A 34 -9.587 10.309 12.777 1.00 0.00 C ATOM 544 CE LYS A 34 -10.776 9.470 12.330 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.769 9.284 13.421 1.00 0.00 N ATOM 0 H LYS A 34 -8.319 9.039 8.627 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.203 10.030 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.791 8.500 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.565 8.632 12.111 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.755 11.123 12.003 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.025 10.958 10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.116 9.841 13.641 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.935 11.291 13.097 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.259 9.950 11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.425 8.496 11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.562 8.707 13.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.316 8.803 14.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.124 10.212 13.729 1.00 0.00 H new ATOM 559 N TRP A 35 -5.825 7.511 8.837 1.00 0.00 N ATOM 560 CA TRP A 35 -5.142 6.244 8.565 1.00 0.00 C ATOM 561 C TRP A 35 -5.889 5.044 9.152 1.00 0.00 C ATOM 562 O TRP A 35 -5.286 4.149 9.747 1.00 0.00 O ATOM 563 CB TRP A 35 -3.708 6.288 9.090 1.00 0.00 C ATOM 564 CG TRP A 35 -2.822 7.213 8.312 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.778 8.573 8.407 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.851 6.849 7.322 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.843 9.079 7.540 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.259 8.042 6.864 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.422 5.636 6.778 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.263 8.054 5.894 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.433 5.650 5.815 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.138 6.850 5.381 1.00 0.00 C ATOM 0 H TRP A 35 -6.045 8.048 7.998 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.123 6.114 7.483 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.720 6.600 10.134 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.287 5.283 9.062 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.391 9.166 9.069 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.619 10.067 7.419 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.857 4.703 7.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.179 8.980 5.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.094 4.717 5.389 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.910 6.827 4.626 1.00 0.00 H new ATOM 583 N GLU A 36 -7.200 5.033 8.969 1.00 0.00 N ATOM 584 CA GLU A 36 -8.034 3.922 9.398 1.00 0.00 C ATOM 585 C GLU A 36 -8.545 3.170 8.179 1.00 0.00 C ATOM 586 O GLU A 36 -9.375 3.680 7.429 1.00 0.00 O ATOM 587 CB GLU A 36 -9.213 4.427 10.226 1.00 0.00 C ATOM 588 CG GLU A 36 -8.811 5.090 11.528 1.00 0.00 C ATOM 589 CD GLU A 36 -8.305 4.102 12.557 1.00 0.00 C ATOM 590 OE1 GLU A 36 -7.105 4.156 12.905 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.109 3.275 13.036 1.00 0.00 O ATOM 0 H GLU A 36 -7.714 5.791 8.521 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.437 3.252 10.017 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.785 5.138 9.629 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.875 3.589 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.036 5.830 11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.667 5.627 11.937 1.00 0.00 H new ATOM 598 N PHE A 37 -8.034 1.969 7.978 1.00 0.00 N ATOM 599 CA PHE A 37 -8.406 1.170 6.815 1.00 0.00 C ATOM 600 C PHE A 37 -9.129 -0.100 7.247 1.00 0.00 C ATOM 601 O PHE A 37 -8.486 -1.079 7.638 1.00 0.00 O ATOM 602 CB PHE A 37 -7.162 0.799 5.998 1.00 0.00 C ATOM 603 CG PHE A 37 -6.291 1.976 5.657 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.356 2.443 6.567 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.408 2.615 4.433 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.555 3.526 6.266 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.609 3.700 4.128 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.682 4.157 5.045 1.00 0.00 C ATOM 0 H PHE A 37 -7.361 1.522 8.601 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.075 1.767 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.573 0.073 6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.476 0.311 5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.253 1.953 7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.130 2.262 3.711 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.830 3.879 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.709 4.192 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.058 5.006 4.807 1.00 0.00 H new ATOM 618 N PRO A 38 -10.469 -0.095 7.214 1.00 0.00 N ATOM 619 CA PRO A 38 -11.268 -1.284 7.511 1.00 0.00 C ATOM 620 C PRO A 38 -11.037 -2.391 6.496 1.00 0.00 C ATOM 621 O PRO A 38 -10.796 -2.133 5.314 1.00 0.00 O ATOM 622 CB PRO A 38 -12.714 -0.791 7.420 1.00 0.00 C ATOM 623 CG PRO A 38 -12.624 0.687 7.551 1.00 0.00 C ATOM 624 CD PRO A 38 -11.324 1.063 6.898 1.00 0.00 C ATOM 0 HA PRO A 38 -11.011 -1.708 8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.170 -1.076 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.328 -1.221 8.211 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.466 1.177 7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.641 0.991 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.435 1.206 5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.919 1.990 7.303 1.00 0.00 H new ATOM 632 N GLU A 39 -11.103 -3.622 6.963 1.00 0.00 N ATOM 633 CA GLU A 39 -10.997 -4.766 6.084 1.00 0.00 C ATOM 634 C GLU A 39 -12.317 -4.968 5.353 1.00 0.00 C ATOM 635 O GLU A 39 -13.150 -5.792 5.743 1.00 0.00 O ATOM 636 CB GLU A 39 -10.610 -6.014 6.871 1.00 0.00 C ATOM 637 CG GLU A 39 -10.323 -7.216 5.991 1.00 0.00 C ATOM 638 CD GLU A 39 -9.986 -8.454 6.786 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.809 -8.625 7.158 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.895 -9.269 7.030 1.00 0.00 O ATOM 0 H GLU A 39 -11.230 -3.854 7.948 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.213 -4.583 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.729 -5.796 7.474 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.415 -6.263 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.191 -7.417 5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.494 -6.982 5.323 1.00 0.00 H new ATOM 647 N ASP A 40 -12.505 -4.190 4.300 1.00 0.00 N ATOM 648 CA ASP A 40 -13.737 -4.219 3.524 1.00 0.00 C ATOM 649 C ASP A 40 -13.428 -4.055 2.043 1.00 0.00 C ATOM 650 O ASP A 40 -12.439 -3.412 1.696 1.00 0.00 O ATOM 651 CB ASP A 40 -14.719 -3.127 3.993 1.00 0.00 C ATOM 652 CG ASP A 40 -14.983 -2.063 2.939 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.974 -2.204 2.186 1.00 0.00 O ATOM 654 OD2 ASP A 40 -14.208 -1.088 2.858 1.00 0.00 O ATOM 0 H ASP A 40 -11.813 -3.523 3.959 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.214 -5.186 3.682 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.664 -3.593 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.321 -2.650 4.889 1.00 0.00 H new ATOM 659 N ASP A 41 -14.255 -4.632 1.186 1.00 0.00 N ATOM 660 CA ASP A 41 -13.993 -4.639 -0.259 1.00 0.00 C ATOM 661 C ASP A 41 -13.748 -3.225 -0.800 1.00 0.00 C ATOM 662 O ASP A 41 -12.828 -3.005 -1.596 1.00 0.00 O ATOM 663 CB ASP A 41 -15.160 -5.289 -1.004 1.00 0.00 C ATOM 664 CG ASP A 41 -14.902 -5.428 -2.488 1.00 0.00 C ATOM 665 OD1 ASP A 41 -15.368 -4.564 -3.259 1.00 0.00 O ATOM 666 OD2 ASP A 41 -14.246 -6.412 -2.893 1.00 0.00 O ATOM 0 H ASP A 41 -15.117 -5.104 1.459 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.087 -5.221 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.353 -6.274 -0.579 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -16.060 -4.694 -0.850 1.00 0.00 H new ATOM 671 N THR A 42 -14.555 -2.273 -0.338 1.00 0.00 N ATOM 672 CA THR A 42 -14.448 -0.883 -0.765 1.00 0.00 C ATOM 673 C THR A 42 -13.048 -0.321 -0.499 1.00 0.00 C ATOM 674 O THR A 42 -12.374 0.148 -1.420 1.00 0.00 O ATOM 675 CB THR A 42 -15.495 -0.019 -0.038 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.805 -0.558 -0.262 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.442 1.421 -0.516 1.00 0.00 C ATOM 0 H THR A 42 -15.298 -2.444 0.340 1.00 0.00 H new ATOM 0 HA THR A 42 -14.632 -0.854 -1.839 1.00 0.00 H new ATOM 0 HB THR A 42 -15.270 -0.032 1.029 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.983 -1.268 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.192 2.008 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.452 1.834 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.644 1.457 -1.587 1.00 0.00 H new ATOM 685 N THR A 43 -12.620 -0.384 0.758 1.00 0.00 N ATOM 686 CA THR A 43 -11.293 0.072 1.153 1.00 0.00 C ATOM 687 C THR A 43 -10.202 -0.650 0.361 1.00 0.00 C ATOM 688 O THR A 43 -9.179 -0.061 0.005 1.00 0.00 O ATOM 689 CB THR A 43 -11.066 -0.154 2.660 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.098 0.505 3.413 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.702 0.370 3.092 1.00 0.00 C ATOM 0 H THR A 43 -13.180 -0.751 1.527 1.00 0.00 H new ATOM 0 HA THR A 43 -11.236 1.139 0.936 1.00 0.00 H new ATOM 0 HB THR A 43 -11.100 -1.226 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.956 0.061 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.568 0.198 4.160 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.920 -0.151 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.641 1.439 2.886 1.00 0.00 H new ATOM 699 N MET A 44 -10.445 -1.918 0.059 1.00 0.00 N ATOM 700 CA MET A 44 -9.471 -2.746 -0.638 1.00 0.00 C ATOM 701 C MET A 44 -9.225 -2.238 -2.055 1.00 0.00 C ATOM 702 O MET A 44 -8.080 -2.058 -2.467 1.00 0.00 O ATOM 703 CB MET A 44 -9.940 -4.198 -0.673 1.00 0.00 C ATOM 704 CG MET A 44 -10.088 -4.812 0.705 1.00 0.00 C ATOM 705 SD MET A 44 -10.762 -6.480 0.665 1.00 0.00 S ATOM 706 CE MET A 44 -10.934 -6.785 2.420 1.00 0.00 C ATOM 0 H MET A 44 -11.315 -2.398 0.288 1.00 0.00 H new ATOM 0 HA MET A 44 -8.530 -2.689 -0.091 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.897 -4.251 -1.192 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.230 -4.788 -1.252 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.114 -4.832 1.194 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.736 -4.179 1.311 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.976 -7.859 2.600 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.080 -6.362 2.948 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.851 -6.320 2.782 1.00 0.00 H new ATOM 716 N CYS A 45 -10.301 -2.000 -2.799 1.00 0.00 N ATOM 717 CA CYS A 45 -10.176 -1.494 -4.164 1.00 0.00 C ATOM 718 C CYS A 45 -9.611 -0.079 -4.165 1.00 0.00 C ATOM 719 O CYS A 45 -8.925 0.321 -5.106 1.00 0.00 O ATOM 720 CB CYS A 45 -11.519 -1.532 -4.901 1.00 0.00 C ATOM 721 SG CYS A 45 -12.186 -3.213 -5.153 1.00 0.00 S ATOM 0 H CYS A 45 -11.260 -2.147 -2.485 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.483 -2.147 -4.694 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.246 -0.945 -4.339 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.402 -1.050 -5.872 1.00 0.00 H new ATOM 726 N TYR A 46 -9.892 0.671 -3.103 1.00 0.00 N ATOM 727 CA TYR A 46 -9.335 2.004 -2.939 1.00 0.00 C ATOM 728 C TYR A 46 -7.814 1.938 -2.874 1.00 0.00 C ATOM 729 O TYR A 46 -7.118 2.690 -3.559 1.00 0.00 O ATOM 730 CB TYR A 46 -9.906 2.654 -1.675 1.00 0.00 C ATOM 731 CG TYR A 46 -9.120 3.855 -1.192 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.136 5.055 -1.895 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.369 3.788 -0.024 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.423 6.151 -1.447 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.654 4.880 0.428 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.683 6.058 -0.286 1.00 0.00 C ATOM 737 OH TYR A 46 -6.981 7.151 0.168 1.00 0.00 O ATOM 0 H TYR A 46 -10.504 0.374 -2.343 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.611 2.614 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.934 2.959 -1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.939 1.910 -0.879 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.714 5.131 -2.804 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.344 2.867 0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.445 7.076 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.075 4.811 1.337 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.195 6.850 0.670 1.00 0.00 H new ATOM 747 N ILE A 47 -7.310 1.018 -2.057 1.00 0.00 N ATOM 748 CA ILE A 47 -5.876 0.802 -1.933 1.00 0.00 C ATOM 749 C ILE A 47 -5.278 0.380 -3.272 1.00 0.00 C ATOM 750 O ILE A 47 -4.187 0.809 -3.634 1.00 0.00 O ATOM 751 CB ILE A 47 -5.555 -0.262 -0.856 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.959 0.245 0.538 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.076 -0.641 -0.889 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.291 1.546 0.942 1.00 0.00 C ATOM 0 H ILE A 47 -7.878 0.408 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.429 1.747 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.135 -1.158 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.040 0.381 0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.716 -0.520 1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.875 -1.390 -0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.826 -1.048 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.469 0.244 -0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.629 1.835 1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.209 1.412 0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.554 2.327 0.229 1.00 0.00 H new ATOM 766 N LYS A 48 -6.015 -0.443 -4.010 1.00 0.00 N ATOM 767 CA LYS A 48 -5.567 -0.915 -5.312 1.00 0.00 C ATOM 768 C LYS A 48 -5.337 0.259 -6.257 1.00 0.00 C ATOM 769 O LYS A 48 -4.268 0.380 -6.854 1.00 0.00 O ATOM 770 CB LYS A 48 -6.594 -1.873 -5.920 1.00 0.00 C ATOM 771 CG LYS A 48 -6.162 -2.461 -7.255 1.00 0.00 C ATOM 772 CD LYS A 48 -7.233 -3.368 -7.837 1.00 0.00 C ATOM 773 CE LYS A 48 -6.987 -3.662 -9.311 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.226 -2.468 -10.166 1.00 0.00 N ATOM 0 H LYS A 48 -6.928 -0.797 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.626 -1.447 -5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.781 -2.686 -5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.538 -1.344 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.946 -1.655 -7.956 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.238 -3.025 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.259 -4.304 -7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.210 -2.899 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.961 -4.005 -9.446 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.639 -4.474 -9.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.298 -2.762 -11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.111 -2.005 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.436 -1.801 -10.059 1.00 0.00 H new ATOM 788 N CYS A 49 -6.341 1.119 -6.380 1.00 0.00 N ATOM 789 CA CYS A 49 -6.255 2.275 -7.265 1.00 0.00 C ATOM 790 C CYS A 49 -5.087 3.179 -6.883 1.00 0.00 C ATOM 791 O CYS A 49 -4.298 3.576 -7.739 1.00 0.00 O ATOM 792 CB CYS A 49 -7.568 3.060 -7.247 1.00 0.00 C ATOM 793 SG CYS A 49 -7.500 4.658 -8.129 1.00 0.00 S ATOM 0 H CYS A 49 -7.225 1.038 -5.878 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.078 1.910 -8.277 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.351 2.446 -7.692 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.855 3.242 -6.211 1.00 0.00 H new ATOM 798 N VAL A 50 -4.967 3.480 -5.593 1.00 0.00 N ATOM 799 CA VAL A 50 -3.928 4.369 -5.104 1.00 0.00 C ATOM 800 C VAL A 50 -2.539 3.782 -5.336 1.00 0.00 C ATOM 801 O VAL A 50 -1.656 4.445 -5.881 1.00 0.00 O ATOM 802 CB VAL A 50 -4.130 4.672 -3.609 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.938 5.404 -3.027 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.388 5.492 -3.418 1.00 0.00 C ATOM 0 H VAL A 50 -5.583 3.116 -4.866 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.002 5.300 -5.666 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.230 3.724 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.114 5.602 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.044 4.790 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.797 6.347 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.527 5.704 -2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.298 6.429 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.246 4.934 -3.792 1.00 0.00 H new ATOM 814 N PHE A 51 -2.368 2.524 -4.953 1.00 0.00 N ATOM 815 CA PHE A 51 -1.093 1.837 -5.100 1.00 0.00 C ATOM 816 C PHE A 51 -0.705 1.722 -6.569 1.00 0.00 C ATOM 817 O PHE A 51 0.476 1.699 -6.918 1.00 0.00 O ATOM 818 CB PHE A 51 -1.172 0.450 -4.460 1.00 0.00 C ATOM 819 CG PHE A 51 -0.714 0.403 -3.030 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.926 1.476 -2.178 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.076 -0.723 -2.537 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.511 1.424 -0.863 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.342 -0.780 -1.222 1.00 0.00 C ATOM 824 CZ PHE A 51 0.124 0.295 -0.384 1.00 0.00 C ATOM 0 H PHE A 51 -3.104 1.955 -4.535 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.325 2.420 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.202 0.097 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.568 -0.243 -5.046 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.421 2.362 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.097 -1.567 -3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.683 2.266 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.839 -1.664 -0.850 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.450 0.253 0.645 1.00 0.00 H new ATOM 834 N ASN A 52 -1.713 1.668 -7.425 1.00 0.00 N ATOM 835 CA ASN A 52 -1.499 1.552 -8.859 1.00 0.00 C ATOM 836 C ASN A 52 -1.129 2.908 -9.449 1.00 0.00 C ATOM 837 O ASN A 52 -0.268 3.006 -10.322 1.00 0.00 O ATOM 838 CB ASN A 52 -2.758 1.005 -9.535 1.00 0.00 C ATOM 839 CG ASN A 52 -2.581 0.780 -11.026 1.00 0.00 C ATOM 840 OD1 ASN A 52 -1.389 0.379 -11.437 1.00 0.00 O flip ATOM 841 ND2 ASN A 52 -3.523 0.939 -11.801 1.00 0.00 N flip ATOM 0 H ASN A 52 -2.694 1.703 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.676 0.860 -9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.038 0.064 -9.062 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.582 1.700 -9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.428 1.249 -11.447 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.399 0.760 -12.798 1.00 0.00 H new ATOM 848 N LYS A 53 -1.766 3.953 -8.943 1.00 0.00 N ATOM 849 CA LYS A 53 -1.523 5.312 -9.414 1.00 0.00 C ATOM 850 C LYS A 53 -0.140 5.789 -8.988 1.00 0.00 C ATOM 851 O LYS A 53 0.475 6.625 -9.647 1.00 0.00 O ATOM 852 CB LYS A 53 -2.597 6.255 -8.872 1.00 0.00 C ATOM 853 CG LYS A 53 -3.933 6.165 -9.602 1.00 0.00 C ATOM 854 CD LYS A 53 -3.820 6.579 -11.062 1.00 0.00 C ATOM 855 CE LYS A 53 -5.153 6.442 -11.780 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.606 5.028 -11.846 1.00 0.00 N ATOM 0 H LYS A 53 -2.461 3.886 -8.200 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.567 5.314 -10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.757 6.037 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.230 7.280 -8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.309 5.143 -9.544 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.662 6.802 -9.101 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.476 7.611 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.071 5.963 -11.560 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.905 7.040 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.064 6.842 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.392 4.946 -12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.818 4.425 -12.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.926 4.722 -10.905 1.00 0.00 H new ATOM 870 N MET A 54 0.343 5.238 -7.884 1.00 0.00 N ATOM 871 CA MET A 54 1.664 5.569 -7.367 1.00 0.00 C ATOM 872 C MET A 54 2.725 4.676 -7.999 1.00 0.00 C ATOM 873 O MET A 54 3.906 4.764 -7.666 1.00 0.00 O ATOM 874 CB MET A 54 1.674 5.413 -5.848 1.00 0.00 C ATOM 875 CG MET A 54 0.809 6.440 -5.141 1.00 0.00 C ATOM 876 SD MET A 54 0.495 6.029 -3.416 1.00 0.00 S ATOM 877 CE MET A 54 2.043 6.498 -2.656 1.00 0.00 C ATOM 0 H MET A 54 -0.165 4.553 -7.324 1.00 0.00 H new ATOM 0 HA MET A 54 1.895 6.603 -7.621 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.326 4.413 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.699 5.498 -5.486 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.295 7.414 -5.194 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.142 6.529 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.967 6.384 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.842 5.859 -3.033 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.266 7.537 -2.896 1.00 0.00 H new ATOM 887 N GLN A 55 2.274 3.819 -8.922 1.00 0.00 N ATOM 888 CA GLN A 55 3.131 2.868 -9.620 1.00 0.00 C ATOM 889 C GLN A 55 3.910 1.985 -8.651 1.00 0.00 C ATOM 890 O GLN A 55 5.053 1.605 -8.911 1.00 0.00 O ATOM 891 CB GLN A 55 4.069 3.602 -10.572 1.00 0.00 C ATOM 892 CG GLN A 55 3.355 4.121 -11.803 1.00 0.00 C ATOM 893 CD GLN A 55 4.281 4.837 -12.761 1.00 0.00 C ATOM 894 OE1 GLN A 55 4.504 6.043 -12.646 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.814 4.098 -13.718 1.00 0.00 N ATOM 0 H GLN A 55 1.295 3.770 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 55 2.490 2.207 -10.203 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.535 4.436 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.871 2.930 -10.877 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.879 3.287 -12.320 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.560 4.801 -11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.600 3.102 -13.773 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.440 4.523 -14.402 1.00 0.00 H new ATOM 904 N LEU A 56 3.267 1.649 -7.544 1.00 0.00 N ATOM 905 CA LEU A 56 3.895 0.866 -6.494 1.00 0.00 C ATOM 906 C LEU A 56 3.349 -0.559 -6.490 1.00 0.00 C ATOM 907 O LEU A 56 3.937 -1.470 -5.903 1.00 0.00 O ATOM 908 CB LEU A 56 3.666 1.556 -5.143 1.00 0.00 C ATOM 909 CG LEU A 56 4.832 2.427 -4.665 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.463 3.173 -3.391 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.072 1.586 -4.437 1.00 0.00 C ATOM 0 H LEU A 56 2.300 1.910 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 56 4.968 0.803 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.772 2.176 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.467 0.794 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 56 5.046 3.158 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.306 3.785 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.602 3.813 -3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.217 2.456 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.888 2.225 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.865 0.830 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.357 1.098 -5.369 1.00 0.00 H new ATOM 923 N PHE A 57 2.225 -0.741 -7.172 1.00 0.00 N ATOM 924 CA PHE A 57 1.604 -2.048 -7.309 1.00 0.00 C ATOM 925 C PHE A 57 1.141 -2.243 -8.749 1.00 0.00 C ATOM 926 O PHE A 57 0.548 -1.341 -9.349 1.00 0.00 O ATOM 927 CB PHE A 57 0.420 -2.191 -6.338 1.00 0.00 C ATOM 928 CG PHE A 57 -0.357 -3.471 -6.490 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.500 -3.513 -7.276 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.048 -4.628 -5.843 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.221 -4.682 -7.414 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.670 -5.800 -5.980 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.805 -5.827 -6.766 1.00 0.00 C ATOM 0 H PHE A 57 1.722 0.011 -7.643 1.00 0.00 H new ATOM 0 HA PHE A 57 2.336 -2.817 -7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.794 -2.126 -5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.257 -1.349 -6.484 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.830 -2.620 -7.786 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.934 -4.613 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.109 -4.700 -8.028 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.344 -6.696 -5.472 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.366 -6.743 -6.873 1.00 0.00 H new ATOM 943 N ASP A 58 1.434 -3.409 -9.296 1.00 0.00 N ATOM 944 CA ASP A 58 1.067 -3.737 -10.666 1.00 0.00 C ATOM 945 C ASP A 58 0.024 -4.848 -10.670 1.00 0.00 C ATOM 946 O ASP A 58 0.075 -5.764 -9.849 1.00 0.00 O ATOM 947 CB ASP A 58 2.313 -4.159 -11.459 1.00 0.00 C ATOM 948 CG ASP A 58 1.998 -4.554 -12.888 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.738 -5.745 -13.137 1.00 0.00 O ATOM 950 OD2 ASP A 58 2.023 -3.671 -13.772 1.00 0.00 O ATOM 0 H ASP A 58 1.931 -4.154 -8.807 1.00 0.00 H new ATOM 0 HA ASP A 58 0.638 -2.856 -11.144 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.029 -3.338 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.793 -4.997 -10.953 1.00 0.00 H new ATOM 955 N ASP A 59 -0.919 -4.753 -11.600 1.00 0.00 N ATOM 956 CA ASP A 59 -2.060 -5.670 -11.668 1.00 0.00 C ATOM 957 C ASP A 59 -1.627 -7.089 -12.017 1.00 0.00 C ATOM 958 O ASP A 59 -2.365 -8.046 -11.789 1.00 0.00 O ATOM 959 CB ASP A 59 -3.064 -5.189 -12.719 1.00 0.00 C ATOM 960 CG ASP A 59 -2.488 -5.195 -14.127 1.00 0.00 C ATOM 961 OD1 ASP A 59 -1.994 -4.142 -14.577 1.00 0.00 O ATOM 962 OD2 ASP A 59 -2.523 -6.253 -14.793 1.00 0.00 O ATOM 0 H ASP A 59 -0.918 -4.040 -12.330 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.522 -5.680 -10.681 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.948 -5.826 -12.690 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.390 -4.180 -12.469 1.00 0.00 H new ATOM 967 N THR A 60 -0.442 -7.211 -12.580 1.00 0.00 N ATOM 968 CA THR A 60 0.053 -8.483 -13.054 1.00 0.00 C ATOM 969 C THR A 60 1.190 -9.008 -12.175 1.00 0.00 C ATOM 970 O THR A 60 1.111 -10.115 -11.635 1.00 0.00 O ATOM 971 CB THR A 60 0.530 -8.332 -14.507 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.601 -8.111 -15.363 1.00 0.00 O ATOM 973 CG2 THR A 60 1.314 -9.546 -14.969 1.00 0.00 C ATOM 0 H THR A 60 0.202 -6.432 -12.721 1.00 0.00 H new ATOM 0 HA THR A 60 -0.759 -9.209 -13.005 1.00 0.00 H new ATOM 0 HB THR A 60 1.200 -7.474 -14.559 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.160 -7.398 -14.989 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.634 -9.401 -16.001 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.189 -9.678 -14.333 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.683 -10.432 -14.906 1.00 0.00 H new ATOM 981 N GLU A 61 2.240 -8.206 -12.035 1.00 0.00 N ATOM 982 CA GLU A 61 3.423 -8.610 -11.279 1.00 0.00 C ATOM 983 C GLU A 61 3.211 -8.453 -9.775 1.00 0.00 C ATOM 984 O GLU A 61 3.971 -9.000 -8.972 1.00 0.00 O ATOM 985 CB GLU A 61 4.639 -7.787 -11.697 1.00 0.00 C ATOM 986 CG GLU A 61 4.776 -7.606 -13.193 1.00 0.00 C ATOM 987 CD GLU A 61 5.996 -6.791 -13.567 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.850 -5.582 -13.847 1.00 0.00 O ATOM 989 OE2 GLU A 61 7.111 -7.354 -13.589 1.00 0.00 O ATOM 0 H GLU A 61 2.297 -7.270 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 61 3.597 -9.663 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.579 -6.805 -11.227 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.539 -8.269 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.836 -8.584 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.883 -7.116 -13.580 1.00 0.00 H new ATOM 996 N GLY A 62 2.181 -7.711 -9.391 1.00 0.00 N ATOM 997 CA GLY A 62 1.943 -7.456 -7.985 1.00 0.00 C ATOM 998 C GLY A 62 2.791 -6.315 -7.458 1.00 0.00 C ATOM 999 O GLY A 62 3.118 -5.392 -8.200 1.00 0.00 O ATOM 0 H GLY A 62 1.508 -7.282 -10.026 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.889 -7.223 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.156 -8.359 -7.413 1.00 0.00 H new ATOM 1003 N PRO A 63 3.154 -6.354 -6.169 1.00 0.00 N ATOM 1004 CA PRO A 63 4.004 -5.334 -5.549 1.00 0.00 C ATOM 1005 C PRO A 63 5.366 -5.238 -6.230 1.00 0.00 C ATOM 1006 O PRO A 63 6.084 -6.237 -6.337 1.00 0.00 O ATOM 1007 CB PRO A 63 4.170 -5.817 -4.100 1.00 0.00 C ATOM 1008 CG PRO A 63 3.083 -6.812 -3.876 1.00 0.00 C ATOM 1009 CD PRO A 63 2.765 -7.407 -5.221 1.00 0.00 C ATOM 0 HA PRO A 63 3.563 -4.340 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.150 -6.268 -3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.090 -4.986 -3.399 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.402 -7.584 -3.176 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.203 -6.335 -3.445 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.323 -8.327 -5.394 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.707 -7.654 -5.309 1.00 0.00 H new ATOM 1017 N LEU A 64 5.716 -4.049 -6.703 1.00 0.00 N ATOM 1018 CA LEU A 64 7.026 -3.844 -7.313 1.00 0.00 C ATOM 1019 C LEU A 64 8.036 -3.556 -6.218 1.00 0.00 C ATOM 1020 O LEU A 64 8.200 -2.409 -5.804 1.00 0.00 O ATOM 1021 CB LEU A 64 7.040 -2.690 -8.334 1.00 0.00 C ATOM 1022 CG LEU A 64 6.048 -2.789 -9.502 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.993 -4.199 -10.063 1.00 0.00 C ATOM 1024 CD2 LEU A 64 4.668 -2.309 -9.096 1.00 0.00 C ATOM 0 H LEU A 64 5.121 -3.221 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 64 7.280 -4.754 -7.857 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.844 -1.761 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.046 -2.614 -8.747 1.00 0.00 H new ATOM 0 HG LEU A 64 6.408 -2.132 -10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.282 -4.235 -10.888 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.981 -4.486 -10.423 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.677 -4.890 -9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.990 -2.392 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.297 -2.921 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.724 -1.268 -8.777 1.00 0.00 H new ATOM 1036 N VAL A 65 8.694 -4.611 -5.747 1.00 0.00 N ATOM 1037 CA VAL A 65 9.617 -4.517 -4.616 1.00 0.00 C ATOM 1038 C VAL A 65 10.691 -3.445 -4.838 1.00 0.00 C ATOM 1039 O VAL A 65 11.075 -2.748 -3.905 1.00 0.00 O ATOM 1040 CB VAL A 65 10.256 -5.896 -4.269 1.00 0.00 C ATOM 1041 CG1 VAL A 65 10.435 -6.776 -5.494 1.00 0.00 C ATOM 1042 CG2 VAL A 65 11.589 -5.713 -3.554 1.00 0.00 C ATOM 0 H VAL A 65 8.605 -5.550 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 65 9.024 -4.208 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 65 9.560 -6.404 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.884 -7.724 -5.198 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.464 -6.961 -5.954 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.086 -6.275 -6.210 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.015 -6.689 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.274 -5.162 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.433 -5.157 -2.630 1.00 0.00 H new ATOM 1052 N ASP A 66 11.140 -3.291 -6.081 1.00 0.00 N ATOM 1053 CA ASP A 66 12.148 -2.284 -6.417 1.00 0.00 C ATOM 1054 C ASP A 66 11.647 -0.881 -6.087 1.00 0.00 C ATOM 1055 O ASP A 66 12.282 -0.147 -5.325 1.00 0.00 O ATOM 1056 CB ASP A 66 12.518 -2.360 -7.897 1.00 0.00 C ATOM 1057 CG ASP A 66 13.314 -3.599 -8.250 1.00 0.00 C ATOM 1058 OD1 ASP A 66 12.700 -4.650 -8.537 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.560 -3.528 -8.258 1.00 0.00 O ATOM 0 H ASP A 66 10.823 -3.850 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 66 13.035 -2.492 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.606 -2.339 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.096 -1.476 -8.166 1.00 0.00 H new ATOM 1064 N ASN A 67 10.500 -0.519 -6.658 1.00 0.00 N ATOM 1065 CA ASN A 67 9.882 0.779 -6.405 1.00 0.00 C ATOM 1066 C ASN A 67 9.574 0.937 -4.924 1.00 0.00 C ATOM 1067 O ASN A 67 9.726 2.015 -4.354 1.00 0.00 O ATOM 1068 CB ASN A 67 8.586 0.933 -7.212 1.00 0.00 C ATOM 1069 CG ASN A 67 8.809 1.030 -8.711 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.803 0.535 -9.241 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.872 1.653 -9.412 1.00 0.00 N ATOM 0 H ASN A 67 9.978 -1.112 -7.303 1.00 0.00 H new ATOM 0 HA ASN A 67 10.586 1.552 -6.715 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.936 0.083 -7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.061 1.826 -6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.962 1.734 -10.425 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.061 2.051 -8.939 1.00 0.00 H new ATOM 1078 N LEU A 68 9.160 -0.163 -4.311 1.00 0.00 N ATOM 1079 CA LEU A 68 8.770 -0.181 -2.907 1.00 0.00 C ATOM 1080 C LEU A 68 9.933 0.173 -1.993 1.00 0.00 C ATOM 1081 O LEU A 68 9.785 0.978 -1.081 1.00 0.00 O ATOM 1082 CB LEU A 68 8.199 -1.550 -2.548 1.00 0.00 C ATOM 1083 CG LEU A 68 6.733 -1.739 -2.930 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.370 -3.211 -2.963 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.841 -1.003 -1.950 1.00 0.00 C ATOM 0 H LEU A 68 9.085 -1.069 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 68 8.003 0.579 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.793 -2.319 -3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.305 -1.705 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 68 6.582 -1.327 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.321 -3.321 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.993 -3.723 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.535 -3.649 -1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.797 -1.144 -2.231 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.002 -1.395 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.081 0.060 -1.967 1.00 0.00 H new ATOM 1097 N VAL A 69 11.087 -0.421 -2.243 1.00 0.00 N ATOM 1098 CA VAL A 69 12.279 -0.130 -1.463 1.00 0.00 C ATOM 1099 C VAL A 69 12.770 1.283 -1.739 1.00 0.00 C ATOM 1100 O VAL A 69 13.132 2.014 -0.823 1.00 0.00 O ATOM 1101 CB VAL A 69 13.398 -1.131 -1.773 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.652 -0.788 -0.995 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.949 -2.541 -1.454 1.00 0.00 C ATOM 0 H VAL A 69 11.225 -1.110 -2.982 1.00 0.00 H new ATOM 0 HA VAL A 69 12.012 -0.217 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 69 13.626 -1.071 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.434 -1.510 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.988 0.212 -1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.437 -0.819 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.755 -3.239 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.694 -2.611 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.075 -2.789 -2.056 1.00 0.00 H new ATOM 1113 N HIS A 70 12.748 1.677 -3.001 1.00 0.00 N ATOM 1114 CA HIS A 70 13.230 2.988 -3.400 1.00 0.00 C ATOM 1115 C HIS A 70 12.359 4.090 -2.788 1.00 0.00 C ATOM 1116 O HIS A 70 12.803 5.225 -2.597 1.00 0.00 O ATOM 1117 CB HIS A 70 13.222 3.081 -4.923 1.00 0.00 C ATOM 1118 CG HIS A 70 14.252 4.009 -5.486 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.776 3.860 -6.751 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.866 5.093 -4.955 1.00 0.00 C ATOM 1121 CE1 HIS A 70 15.667 4.805 -6.972 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.740 5.568 -5.899 1.00 0.00 N ATOM 0 H HIS A 70 12.400 1.104 -3.770 1.00 0.00 H new ATOM 0 HA HIS A 70 14.248 3.125 -3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.381 2.085 -5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.236 3.409 -5.251 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.699 5.506 -3.971 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.240 4.933 -7.878 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.348 6.380 -5.789 1.00 0.00 H new ATOM 1131 N GLN A 71 11.119 3.736 -2.485 1.00 0.00 N ATOM 1132 CA GLN A 71 10.161 4.657 -1.885 1.00 0.00 C ATOM 1133 C GLN A 71 10.230 4.607 -0.358 1.00 0.00 C ATOM 1134 O GLN A 71 10.493 5.617 0.296 1.00 0.00 O ATOM 1135 CB GLN A 71 8.747 4.299 -2.356 1.00 0.00 C ATOM 1136 CG GLN A 71 7.660 5.274 -1.910 1.00 0.00 C ATOM 1137 CD GLN A 71 7.871 6.691 -2.408 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.459 7.046 -3.513 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.477 7.522 -1.578 1.00 0.00 N ATOM 0 H GLN A 71 10.747 2.801 -2.648 1.00 0.00 H new ATOM 0 HA GLN A 71 10.410 5.670 -2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.744 4.246 -3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.497 3.304 -1.988 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.694 4.914 -2.264 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.617 5.284 -0.821 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.804 7.189 -0.671 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.618 8.496 -1.844 1.00 0.00 H new ATOM 1148 N LEU A 72 9.974 3.426 0.198 1.00 0.00 N ATOM 1149 CA LEU A 72 9.908 3.238 1.649 1.00 0.00 C ATOM 1150 C LEU A 72 11.241 3.520 2.334 1.00 0.00 C ATOM 1151 O LEU A 72 11.283 4.205 3.354 1.00 0.00 O ATOM 1152 CB LEU A 72 9.453 1.817 1.990 1.00 0.00 C ATOM 1153 CG LEU A 72 7.993 1.493 1.669 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.722 0.012 1.885 1.00 0.00 C ATOM 1155 CD2 LEU A 72 7.053 2.323 2.529 1.00 0.00 C ATOM 0 H LEU A 72 9.807 2.575 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 72 9.180 3.958 2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.089 1.113 1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.618 1.648 3.054 1.00 0.00 H new ATOM 0 HG LEU A 72 7.813 1.739 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.679 -0.205 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.369 -0.575 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.924 -0.247 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.020 2.075 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.237 2.107 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.227 3.382 2.340 1.00 0.00 H new ATOM 1167 N ALA A 73 12.325 2.992 1.773 1.00 0.00 N ATOM 1168 CA ALA A 73 13.655 3.122 2.367 1.00 0.00 C ATOM 1169 C ALA A 73 14.247 4.521 2.187 1.00 0.00 C ATOM 1170 O ALA A 73 15.461 4.679 2.039 1.00 0.00 O ATOM 1171 CB ALA A 73 14.583 2.080 1.781 1.00 0.00 C ATOM 0 H ALA A 73 12.309 2.465 0.900 1.00 0.00 H new ATOM 0 HA ALA A 73 13.548 2.961 3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.572 2.182 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.191 1.085 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.655 2.222 0.703 1.00 0.00 H new ATOM 1177 N HIS A 74 13.389 5.529 2.201 1.00 0.00 N ATOM 1178 CA HIS A 74 13.818 6.911 2.045 1.00 0.00 C ATOM 1179 C HIS A 74 14.532 7.380 3.314 1.00 0.00 C ATOM 1180 O HIS A 74 13.921 7.976 4.204 1.00 0.00 O ATOM 1181 CB HIS A 74 12.613 7.813 1.741 1.00 0.00 C ATOM 1182 CG HIS A 74 12.983 9.207 1.334 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.915 10.282 2.188 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.412 9.699 0.148 1.00 0.00 C ATOM 1185 CE1 HIS A 74 13.284 11.374 1.549 1.00 0.00 C ATOM 1186 NE2 HIS A 74 13.593 11.049 0.308 1.00 0.00 N ATOM 0 H HIS A 74 12.382 5.414 2.320 1.00 0.00 H new ATOM 0 HA HIS A 74 14.513 6.974 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 74 12.023 7.358 0.946 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.976 7.860 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.580 9.133 -0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 74 13.326 12.368 1.970 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.914 11.695 -0.413 1.00 0.00 H new ATOM 1195 N GLY A 75 15.822 7.084 3.394 1.00 0.00 N ATOM 1196 CA GLY A 75 16.607 7.472 4.548 1.00 0.00 C ATOM 1197 C GLY A 75 16.777 6.335 5.535 1.00 0.00 C ATOM 1198 O GLY A 75 16.964 6.565 6.729 1.00 0.00 O ATOM 0 H GLY A 75 16.341 6.579 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.588 7.815 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.126 8.314 5.046 1.00 0.00 H new ATOM 1202 N ARG A 76 16.716 5.104 5.037 1.00 0.00 N ATOM 1203 CA ARG A 76 16.859 3.923 5.883 1.00 0.00 C ATOM 1204 C ARG A 76 17.466 2.768 5.097 1.00 0.00 C ATOM 1205 O ARG A 76 17.542 2.824 3.868 1.00 0.00 O ATOM 1206 CB ARG A 76 15.505 3.514 6.470 1.00 0.00 C ATOM 1207 CG ARG A 76 15.194 4.187 7.798 1.00 0.00 C ATOM 1208 CD ARG A 76 13.985 3.567 8.473 1.00 0.00 C ATOM 1209 NE ARG A 76 14.215 2.168 8.833 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.295 1.376 9.378 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.076 1.839 9.626 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.600 0.120 9.681 1.00 0.00 N ATOM 0 H ARG A 76 16.568 4.898 4.049 1.00 0.00 H new ATOM 0 HA ARG A 76 17.532 4.172 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.719 3.757 5.755 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.488 2.433 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.059 4.108 8.457 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.014 5.249 7.634 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.739 4.136 9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.125 3.633 7.807 1.00 0.00 H new ATOM 0 HE ARG A 76 15.139 1.775 8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.841 2.805 9.399 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.374 1.228 10.044 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.538 -0.236 9.496 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.897 -0.489 10.099 1.00 0.00 H new ATOM 1226 N ASP A 77 17.905 1.734 5.815 1.00 0.00 N ATOM 1227 CA ASP A 77 18.515 0.556 5.199 1.00 0.00 C ATOM 1228 C ASP A 77 17.573 -0.111 4.213 1.00 0.00 C ATOM 1229 O ASP A 77 16.619 -0.789 4.596 1.00 0.00 O ATOM 1230 CB ASP A 77 18.946 -0.453 6.263 1.00 0.00 C ATOM 1231 CG ASP A 77 20.145 0.016 7.054 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.273 -0.408 6.730 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.969 0.815 7.994 1.00 0.00 O ATOM 0 H ASP A 77 17.848 1.689 6.832 1.00 0.00 H new ATOM 0 HA ASP A 77 19.395 0.899 4.654 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.115 -0.636 6.944 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.180 -1.404 5.784 1.00 0.00 H new ATOM 1238 N ALA A 78 17.872 0.083 2.939 1.00 0.00 N ATOM 1239 CA ALA A 78 17.082 -0.458 1.846 1.00 0.00 C ATOM 1240 C ALA A 78 16.972 -1.976 1.924 1.00 0.00 C ATOM 1241 O ALA A 78 15.930 -2.544 1.614 1.00 0.00 O ATOM 1242 CB ALA A 78 17.702 -0.047 0.526 1.00 0.00 C ATOM 0 H ALA A 78 18.679 0.626 2.632 1.00 0.00 H new ATOM 0 HA ALA A 78 16.073 -0.054 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.111 -0.452 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.723 1.041 0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.719 -0.434 0.466 1.00 0.00 H new ATOM 1248 N GLU A 79 18.047 -2.626 2.349 1.00 0.00 N ATOM 1249 CA GLU A 79 18.069 -4.082 2.463 1.00 0.00 C ATOM 1250 C GLU A 79 17.106 -4.561 3.545 1.00 0.00 C ATOM 1251 O GLU A 79 16.424 -5.576 3.384 1.00 0.00 O ATOM 1252 CB GLU A 79 19.484 -4.571 2.757 1.00 0.00 C ATOM 1253 CG GLU A 79 20.441 -4.359 1.596 1.00 0.00 C ATOM 1254 CD GLU A 79 21.804 -4.961 1.846 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.712 -4.224 2.286 1.00 0.00 O ATOM 1256 OE2 GLU A 79 21.971 -6.176 1.604 1.00 0.00 O ATOM 0 H GLU A 79 18.917 -2.169 2.621 1.00 0.00 H new ATOM 0 HA GLU A 79 17.744 -4.501 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.867 -4.051 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.451 -5.632 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.014 -4.798 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.549 -3.290 1.410 1.00 0.00 H new ATOM 1263 N GLU A 80 17.051 -3.817 4.643 1.00 0.00 N ATOM 1264 CA GLU A 80 16.112 -4.095 5.723 1.00 0.00 C ATOM 1265 C GLU A 80 14.682 -3.919 5.212 1.00 0.00 C ATOM 1266 O GLU A 80 13.813 -4.766 5.431 1.00 0.00 O ATOM 1267 CB GLU A 80 16.392 -3.137 6.884 1.00 0.00 C ATOM 1268 CG GLU A 80 15.456 -3.280 8.072 1.00 0.00 C ATOM 1269 CD GLU A 80 15.647 -4.580 8.822 1.00 0.00 C ATOM 1270 OE1 GLU A 80 14.695 -5.382 8.880 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.746 -4.803 9.369 1.00 0.00 O ATOM 0 H GLU A 80 17.651 -3.009 4.810 1.00 0.00 H new ATOM 0 HA GLU A 80 16.231 -5.121 6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.415 -3.293 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.332 -2.114 6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.615 -2.446 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 80 14.425 -3.215 7.725 1.00 0.00 H new ATOM 1278 N VAL A 81 14.469 -2.819 4.501 1.00 0.00 N ATOM 1279 CA VAL A 81 13.174 -2.496 3.917 1.00 0.00 C ATOM 1280 C VAL A 81 12.738 -3.547 2.892 1.00 0.00 C ATOM 1281 O VAL A 81 11.608 -4.033 2.939 1.00 0.00 O ATOM 1282 CB VAL A 81 13.226 -1.106 3.260 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.928 -0.771 2.549 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.542 -0.066 4.314 1.00 0.00 C ATOM 0 H VAL A 81 15.192 -2.124 4.313 1.00 0.00 H new ATOM 0 HA VAL A 81 12.437 -2.491 4.720 1.00 0.00 H new ATOM 0 HB VAL A 81 14.011 -1.111 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.005 0.218 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.738 -1.510 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.107 -0.780 3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.580 0.921 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.768 -0.078 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.507 -0.291 4.769 1.00 0.00 H new ATOM 1294 N ARG A 82 13.644 -3.894 1.977 1.00 0.00 N ATOM 1295 CA ARG A 82 13.397 -4.921 0.970 1.00 0.00 C ATOM 1296 C ARG A 82 12.952 -6.221 1.624 1.00 0.00 C ATOM 1297 O ARG A 82 12.006 -6.864 1.174 1.00 0.00 O ATOM 1298 CB ARG A 82 14.671 -5.171 0.167 1.00 0.00 C ATOM 1299 CG ARG A 82 14.465 -6.072 -1.036 1.00 0.00 C ATOM 1300 CD ARG A 82 15.795 -6.524 -1.604 1.00 0.00 C ATOM 1301 NE ARG A 82 15.647 -7.334 -2.811 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.572 -8.190 -3.248 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.692 -8.373 -2.557 1.00 0.00 N ATOM 1304 NH2 ARG A 82 16.375 -8.866 -4.373 1.00 0.00 N ATOM 0 H ARG A 82 14.569 -3.469 1.915 1.00 0.00 H new ATOM 0 HA ARG A 82 12.605 -4.571 0.309 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.071 -4.215 -0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.420 -5.618 0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.873 -6.941 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.899 -5.541 -1.801 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.405 -5.649 -1.831 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.331 -7.099 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 82 14.787 -7.239 -3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.846 -7.858 -1.690 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.398 -9.028 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.515 -8.731 -4.905 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.083 -9.520 -4.706 1.00 0.00 H new ATOM 1318 N THR A 83 13.636 -6.584 2.698 1.00 0.00 N ATOM 1319 CA THR A 83 13.369 -7.826 3.401 1.00 0.00 C ATOM 1320 C THR A 83 11.941 -7.856 3.949 1.00 0.00 C ATOM 1321 O THR A 83 11.191 -8.804 3.702 1.00 0.00 O ATOM 1322 CB THR A 83 14.386 -8.012 4.543 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.684 -8.294 3.997 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.967 -9.122 5.490 1.00 0.00 C ATOM 0 H THR A 83 14.388 -6.028 3.104 1.00 0.00 H new ATOM 0 HA THR A 83 13.472 -8.649 2.693 1.00 0.00 H new ATOM 0 HB THR A 83 14.423 -7.085 5.115 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.111 -7.457 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.709 -9.224 6.282 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.999 -8.880 5.928 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.892 -10.060 4.940 1.00 0.00 H new ATOM 1332 N GLU A 84 11.574 -6.808 4.680 1.00 0.00 N ATOM 1333 CA GLU A 84 10.228 -6.686 5.234 1.00 0.00 C ATOM 1334 C GLU A 84 9.166 -6.718 4.136 1.00 0.00 C ATOM 1335 O GLU A 84 8.155 -7.410 4.265 1.00 0.00 O ATOM 1336 CB GLU A 84 10.091 -5.405 6.059 1.00 0.00 C ATOM 1337 CG GLU A 84 10.779 -5.479 7.407 1.00 0.00 C ATOM 1338 CD GLU A 84 10.136 -6.495 8.325 1.00 0.00 C ATOM 1339 OE1 GLU A 84 9.222 -6.116 9.084 1.00 0.00 O ATOM 1340 OE2 GLU A 84 10.529 -7.679 8.285 1.00 0.00 O ATOM 0 H GLU A 84 12.192 -6.028 4.904 1.00 0.00 H new ATOM 0 HA GLU A 84 10.068 -7.543 5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.507 -4.571 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.033 -5.191 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.829 -5.736 7.263 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.753 -4.497 7.880 1.00 0.00 H new ATOM 1347 N VAL A 85 9.403 -5.975 3.053 1.00 0.00 N ATOM 1348 CA VAL A 85 8.488 -5.956 1.916 1.00 0.00 C ATOM 1349 C VAL A 85 8.252 -7.364 1.372 1.00 0.00 C ATOM 1350 O VAL A 85 7.112 -7.790 1.202 1.00 0.00 O ATOM 1351 CB VAL A 85 9.024 -5.060 0.781 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.256 -5.305 -0.506 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.942 -3.597 1.174 1.00 0.00 C ATOM 0 H VAL A 85 10.223 -5.379 2.942 1.00 0.00 H new ATOM 0 HA VAL A 85 7.543 -5.549 2.277 1.00 0.00 H new ATOM 0 HB VAL A 85 10.070 -5.316 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.651 -4.663 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.364 -6.349 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.201 -5.080 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.325 -2.980 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.904 -3.332 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.539 -3.427 2.070 1.00 0.00 H new ATOM 1363 N LEU A 86 9.341 -8.082 1.114 1.00 0.00 N ATOM 1364 CA LEU A 86 9.273 -9.429 0.554 1.00 0.00 C ATOM 1365 C LEU A 86 8.450 -10.364 1.436 1.00 0.00 C ATOM 1366 O LEU A 86 7.777 -11.265 0.942 1.00 0.00 O ATOM 1367 CB LEU A 86 10.680 -9.995 0.374 1.00 0.00 C ATOM 1368 CG LEU A 86 11.516 -9.319 -0.705 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.976 -9.708 -0.553 1.00 0.00 C ATOM 1370 CD2 LEU A 86 11.003 -9.693 -2.084 1.00 0.00 C ATOM 0 H LEU A 86 10.290 -7.750 1.286 1.00 0.00 H new ATOM 0 HA LEU A 86 8.780 -9.359 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.210 -9.918 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.600 -11.056 0.138 1.00 0.00 H new ATOM 0 HG LEU A 86 11.431 -8.238 -0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.565 -9.220 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.336 -9.395 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.076 -10.789 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.611 -9.202 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.063 -10.774 -2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.966 -9.372 -2.186 1.00 0.00 H new ATOM 1382 N LYS A 87 8.487 -10.126 2.743 1.00 0.00 N ATOM 1383 CA LYS A 87 7.747 -10.951 3.696 1.00 0.00 C ATOM 1384 C LYS A 87 6.258 -10.639 3.637 1.00 0.00 C ATOM 1385 O LYS A 87 5.439 -11.320 4.255 1.00 0.00 O ATOM 1386 CB LYS A 87 8.271 -10.727 5.113 1.00 0.00 C ATOM 1387 CG LYS A 87 9.681 -11.249 5.326 1.00 0.00 C ATOM 1388 CD LYS A 87 10.197 -10.917 6.713 1.00 0.00 C ATOM 1389 CE LYS A 87 11.615 -11.422 6.915 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.708 -12.898 6.768 1.00 0.00 N ATOM 0 H LYS A 87 9.021 -9.368 3.168 1.00 0.00 H new ATOM 0 HA LYS A 87 7.894 -11.997 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.249 -9.660 5.336 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.601 -11.214 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.695 -12.329 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.346 -10.818 4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.169 -9.838 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.541 -11.361 7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.276 -10.944 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.964 -11.134 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.628 -13.225 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.945 -13.350 7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.615 -13.153 5.764 1.00 0.00 H new ATOM 1404 N CYS A 88 5.920 -9.602 2.896 1.00 0.00 N ATOM 1405 CA CYS A 88 4.537 -9.201 2.719 1.00 0.00 C ATOM 1406 C CYS A 88 4.101 -9.385 1.269 1.00 0.00 C ATOM 1407 O CYS A 88 2.914 -9.294 0.948 1.00 0.00 O ATOM 1408 CB CYS A 88 4.355 -7.759 3.174 1.00 0.00 C ATOM 1409 SG CYS A 88 4.221 -7.593 4.983 1.00 0.00 S ATOM 0 H CYS A 88 6.592 -9.016 2.401 1.00 0.00 H new ATOM 0 HA CYS A 88 3.902 -9.839 3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.198 -7.164 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.458 -7.348 2.710 1.00 0.00 H new ATOM 1414 N VAL A 89 5.069 -9.638 0.392 1.00 0.00 N ATOM 1415 CA VAL A 89 4.775 -9.979 -0.986 1.00 0.00 C ATOM 1416 C VAL A 89 4.281 -11.415 -1.051 1.00 0.00 C ATOM 1417 O VAL A 89 5.063 -12.361 -0.946 1.00 0.00 O ATOM 1418 CB VAL A 89 6.005 -9.814 -1.901 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.658 -10.201 -3.326 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.532 -8.388 -1.857 1.00 0.00 C ATOM 0 H VAL A 89 6.063 -9.612 0.617 1.00 0.00 H new ATOM 0 HA VAL A 89 4.007 -9.294 -1.344 1.00 0.00 H new ATOM 0 HB VAL A 89 6.789 -10.477 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.536 -10.079 -3.960 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.333 -11.241 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.855 -9.561 -3.692 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.399 -8.300 -2.511 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.754 -7.702 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.821 -8.138 -0.836 1.00 0.00 H new ATOM 1430 N ASP A 90 2.980 -11.564 -1.187 1.00 0.00 N ATOM 1431 CA ASP A 90 2.350 -12.871 -1.168 1.00 0.00 C ATOM 1432 C ASP A 90 1.569 -13.081 -2.458 1.00 0.00 C ATOM 1433 O ASP A 90 1.224 -12.114 -3.138 1.00 0.00 O ATOM 1434 CB ASP A 90 1.426 -12.971 0.047 1.00 0.00 C ATOM 1435 CG ASP A 90 1.003 -14.391 0.360 1.00 0.00 C ATOM 1436 OD1 ASP A 90 -0.072 -14.575 0.965 1.00 0.00 O ATOM 1437 OD2 ASP A 90 1.750 -15.331 0.014 1.00 0.00 O ATOM 0 H ASP A 90 2.331 -10.788 -1.313 1.00 0.00 H new ATOM 0 HA ASP A 90 3.111 -13.648 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.932 -12.550 0.916 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.538 -12.365 -0.130 1.00 0.00 H new ATOM 1442 N LYS A 91 1.309 -14.338 -2.794 1.00 0.00 N ATOM 1443 CA LYS A 91 0.612 -14.678 -4.030 1.00 0.00 C ATOM 1444 C LYS A 91 -0.875 -14.376 -3.925 1.00 0.00 C ATOM 1445 O LYS A 91 -1.460 -14.418 -2.842 1.00 0.00 O ATOM 1446 CB LYS A 91 0.807 -16.153 -4.382 1.00 0.00 C ATOM 1447 CG LYS A 91 2.254 -16.603 -4.337 1.00 0.00 C ATOM 1448 CD LYS A 91 2.414 -18.025 -4.850 1.00 0.00 C ATOM 1449 CE LYS A 91 1.896 -19.049 -3.853 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.686 -19.045 -2.593 1.00 0.00 N ATOM 0 H LYS A 91 1.571 -15.143 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 91 1.041 -14.063 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.224 -16.763 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.410 -16.335 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.864 -15.928 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.623 -16.541 -3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.878 -18.133 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.466 -18.220 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.851 -18.839 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.932 -20.042 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.529 -19.937 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.697 -18.948 -2.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.385 -18.247 -1.997 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.472 -14.083 -5.072 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.886 -13.737 -5.153 1.00 0.00 C ATOM 1466 C ASN A 92 -3.749 -14.993 -5.060 1.00 0.00 C ATOM 1467 O ASN A 92 -4.273 -15.483 -6.063 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.160 -12.995 -6.464 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.563 -12.430 -6.562 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.233 -12.211 -5.555 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.000 -12.160 -7.784 1.00 0.00 N ATOM 0 H ASN A 92 -0.991 -14.078 -5.972 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.141 -13.086 -4.317 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.442 -12.181 -6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.993 -13.676 -7.299 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.926 -11.754 -7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.410 -12.358 -8.592 1.00 0.00 H new ATOM 1478 N THR A 93 -3.884 -15.514 -3.847 1.00 0.00 N ATOM 1479 CA THR A 93 -4.603 -16.759 -3.619 1.00 0.00 C ATOM 1480 C THR A 93 -6.112 -16.540 -3.547 1.00 0.00 C ATOM 1481 O THR A 93 -6.890 -17.446 -3.848 1.00 0.00 O ATOM 1482 CB THR A 93 -4.125 -17.443 -2.324 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.325 -16.577 -1.198 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.656 -17.809 -2.423 1.00 0.00 C ATOM 0 H THR A 93 -3.502 -15.090 -3.002 1.00 0.00 H new ATOM 0 HA THR A 93 -4.388 -17.405 -4.470 1.00 0.00 H new ATOM 0 HB THR A 93 -4.710 -18.353 -2.188 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.019 -17.025 -0.382 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.338 -18.291 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.507 -18.493 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.066 -16.906 -2.583 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.524 -15.339 -3.159 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.949 -15.019 -3.045 1.00 0.00 C ATOM 1494 C ASP A 94 -8.526 -14.647 -4.402 1.00 0.00 C ATOM 1495 O ASP A 94 -9.745 -14.622 -4.586 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.186 -13.887 -2.043 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.347 -12.661 -2.332 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -7.510 -12.053 -3.400 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.512 -12.304 -1.476 1.00 0.00 O ATOM 0 H ASP A 94 -5.898 -14.571 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.459 -15.910 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.240 -13.611 -2.057 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.963 -14.245 -1.038 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.628 -14.376 -5.343 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.974 -14.096 -6.733 1.00 0.00 C ATOM 1506 C ASN A 95 -8.744 -12.789 -6.912 1.00 0.00 C ATOM 1507 O ASN A 95 -9.415 -12.599 -7.930 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.770 -15.253 -7.342 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.979 -16.542 -7.414 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -6.756 -16.537 -7.563 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -8.674 -17.658 -7.300 1.00 0.00 N ATOM 0 H ASN A 95 -6.625 -14.344 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.026 -13.985 -7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.670 -15.418 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.094 -14.976 -8.345 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.199 -18.560 -7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -9.686 -17.618 -7.178 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.640 -11.871 -5.958 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.218 -10.544 -6.139 1.00 0.00 C ATOM 1520 C ASN A 96 -8.143 -9.480 -5.981 1.00 0.00 C ATOM 1521 O ASN A 96 -7.571 -9.307 -4.906 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.383 -10.254 -5.175 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.789 -11.432 -4.316 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.350 -11.569 -3.175 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.647 -12.284 -4.851 1.00 0.00 N ATOM 0 H ASN A 96 -8.169 -12.017 -5.065 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.628 -10.518 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.104 -9.425 -4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -11.246 -9.928 -5.755 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.968 -13.090 -4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.988 -12.136 -5.801 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.892 -8.764 -7.072 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.820 -7.776 -7.140 1.00 0.00 C ATOM 1534 C ALA A 97 -6.942 -6.706 -6.057 1.00 0.00 C ATOM 1535 O ALA A 97 -5.931 -6.192 -5.576 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.795 -7.132 -8.515 1.00 0.00 C ATOM 0 H ALA A 97 -8.427 -8.852 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.882 -8.302 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.992 -6.396 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.626 -7.898 -9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.749 -6.640 -8.704 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.168 -6.364 -5.672 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.373 -5.384 -4.608 1.00 0.00 C ATOM 1544 C CYS A 98 -7.833 -5.914 -3.285 1.00 0.00 C ATOM 1545 O CYS A 98 -7.244 -5.169 -2.503 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.854 -5.024 -4.443 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.625 -4.275 -5.916 1.00 0.00 S ATOM 0 H CYS A 98 -9.025 -6.744 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.831 -4.482 -4.893 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.406 -5.926 -4.180 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.955 -4.333 -3.606 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.998 -7.209 -3.049 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.575 -7.802 -1.788 1.00 0.00 C ATOM 1554 C HIS A 99 -6.100 -8.182 -1.853 1.00 0.00 C ATOM 1555 O HIS A 99 -5.452 -8.341 -0.826 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.433 -9.026 -1.447 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.217 -9.553 -0.055 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.447 -10.659 0.222 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.683 -9.120 1.143 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.445 -10.884 1.520 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.187 -9.965 2.103 1.00 0.00 N ATOM 0 H HIS A 99 -8.418 -7.864 -3.708 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.710 -7.064 -0.997 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.485 -8.765 -1.567 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.218 -9.819 -2.163 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.953 -11.220 -0.472 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.325 -8.268 1.310 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.923 -11.686 2.021 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.579 -8.320 -3.065 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.160 -8.608 -3.258 1.00 0.00 C ATOM 1572 C TRP A 100 -3.321 -7.394 -2.873 1.00 0.00 C ATOM 1573 O TRP A 100 -2.402 -7.492 -2.055 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.876 -9.010 -4.713 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.472 -9.498 -4.937 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.545 -9.794 -3.979 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.846 -9.767 -6.197 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.378 -10.211 -4.564 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.538 -10.211 -5.924 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.260 -9.675 -7.531 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.356 -10.563 -6.931 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.372 -10.025 -8.529 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.078 -10.464 -8.227 1.00 0.00 C ATOM 0 H TRP A 100 -6.115 -8.238 -3.929 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.890 -9.445 -2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.575 -9.792 -5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.062 -8.154 -5.361 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.708 -9.711 -2.915 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.472 -10.478 -4.067 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.256 -9.336 -7.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.355 -10.902 -6.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.682 -9.959 -9.561 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.592 -10.730 -9.031 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.651 -6.249 -3.455 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.969 -5.004 -3.130 1.00 0.00 C ATOM 1596 C ALA A 101 -3.171 -4.670 -1.660 1.00 0.00 C ATOM 1597 O ALA A 101 -2.280 -4.142 -0.992 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.485 -3.878 -4.009 1.00 0.00 C ATOM 0 H ALA A 101 -4.387 -6.157 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.902 -5.124 -3.317 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.967 -2.953 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.303 -4.121 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.555 -3.751 -3.847 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.350 -5.013 -1.162 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.695 -4.771 0.225 1.00 0.00 C ATOM 1606 C PHE A 102 -3.942 -5.735 1.142 1.00 0.00 C ATOM 1607 O PHE A 102 -3.644 -5.408 2.287 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.205 -4.904 0.413 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.700 -4.488 1.772 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.149 -5.426 2.687 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.726 -3.148 2.124 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.614 -5.035 3.929 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.187 -2.750 3.364 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.631 -3.695 4.268 1.00 0.00 C ATOM 0 H PHE A 102 -5.087 -5.463 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.399 -3.757 0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.708 -4.302 -0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.491 -5.941 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.136 -6.474 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.381 -2.405 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.963 -5.775 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.200 -1.702 3.626 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.991 -3.387 5.239 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.621 -6.919 0.619 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.893 -7.930 1.378 1.00 0.00 C ATOM 1626 C ARG A 103 -1.485 -7.441 1.675 1.00 0.00 C ATOM 1627 O ARG A 103 -1.008 -7.538 2.807 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.822 -9.253 0.602 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.206 -10.385 1.411 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.015 -11.671 0.598 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.268 -12.201 0.059 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.508 -13.504 -0.121 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -2.586 -14.407 0.181 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -4.667 -13.909 -0.618 1.00 0.00 N ATOM 0 H ARG A 103 -3.856 -7.200 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.426 -8.102 2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.827 -9.540 0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.239 -9.104 -0.307 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.241 -10.062 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.842 -10.597 2.271 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.327 -11.475 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.549 -12.427 1.230 1.00 0.00 H new ATOM 0 HE ARG A 103 -4.001 -11.538 -0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.684 -14.110 0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.778 -15.399 0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.382 -13.225 -0.866 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.844 -14.904 -0.753 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.833 -6.904 0.649 1.00 0.00 N ATOM 1649 CA GLY A 104 0.517 -6.397 0.805 1.00 0.00 C ATOM 1650 C GLY A 104 0.574 -5.223 1.761 1.00 0.00 C ATOM 1651 O GLY A 104 1.428 -5.173 2.648 1.00 0.00 O ATOM 0 H GLY A 104 -1.218 -6.811 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.164 -7.194 1.171 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.905 -6.092 -0.167 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.355 -4.289 1.591 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.401 -3.091 2.416 1.00 0.00 C ATOM 1657 C PHE A 105 -0.696 -3.438 3.874 1.00 0.00 C ATOM 1658 O PHE A 105 -0.012 -2.968 4.781 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.450 -2.121 1.860 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.760 -0.957 2.761 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -3.074 -0.616 3.055 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.738 -0.204 3.314 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.357 0.453 3.882 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -1.018 0.866 4.142 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.328 1.195 4.426 1.00 0.00 C ATOM 0 H PHE A 105 -1.089 -4.341 0.885 1.00 0.00 H new ATOM 0 HA PHE A 105 0.576 -2.609 2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.101 -1.739 0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.371 -2.672 1.668 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.883 -1.193 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.289 -0.456 3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.383 0.708 4.103 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.212 1.445 4.567 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.548 2.032 5.073 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.693 -4.288 4.086 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.142 -4.625 5.434 1.00 0.00 C ATOM 1677 C LYS A 106 -1.068 -5.400 6.194 1.00 0.00 C ATOM 1678 O LYS A 106 -0.867 -5.190 7.390 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.466 -5.404 5.373 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.791 -6.204 6.621 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.156 -6.863 6.514 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.520 -7.634 7.774 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.601 -8.776 8.020 1.00 0.00 N ATOM 0 H LYS A 106 -2.208 -4.758 3.341 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.319 -3.700 5.983 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.277 -4.700 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.433 -6.083 4.521 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.028 -6.967 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.768 -5.549 7.492 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.912 -6.101 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.165 -7.540 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.496 -6.960 8.630 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.542 -8.004 7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -4.973 -9.360 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.525 -9.353 7.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.660 -8.415 8.279 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.368 -6.276 5.484 1.00 0.00 N ATOM 1698 CA CYS A 107 0.701 -7.068 6.074 1.00 0.00 C ATOM 1699 C CYS A 107 1.848 -6.179 6.546 1.00 0.00 C ATOM 1700 O CYS A 107 2.385 -6.366 7.641 1.00 0.00 O ATOM 1701 CB CYS A 107 1.208 -8.094 5.051 1.00 0.00 C ATOM 1702 SG CYS A 107 2.772 -8.923 5.503 1.00 0.00 S ATOM 0 H CYS A 107 -0.524 -6.456 4.492 1.00 0.00 H new ATOM 0 HA CYS A 107 0.305 -7.591 6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.439 -8.853 4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.343 -7.593 4.092 1.00 0.00 H new ATOM 1707 N PHE A 108 2.204 -5.198 5.723 1.00 0.00 N ATOM 1708 CA PHE A 108 3.376 -4.371 5.977 1.00 0.00 C ATOM 1709 C PHE A 108 3.102 -3.344 7.073 1.00 0.00 C ATOM 1710 O PHE A 108 3.887 -3.207 8.014 1.00 0.00 O ATOM 1711 CB PHE A 108 3.803 -3.676 4.684 1.00 0.00 C ATOM 1712 CG PHE A 108 5.184 -3.082 4.737 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.284 -3.826 4.341 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.385 -1.782 5.174 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.553 -3.287 4.381 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.654 -1.238 5.215 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.739 -1.992 4.819 1.00 0.00 C ATOM 0 H PHE A 108 1.695 -4.957 4.872 1.00 0.00 H new ATOM 0 HA PHE A 108 4.185 -5.014 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.759 -4.394 3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.087 -2.887 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.146 -4.840 3.997 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.539 -1.187 5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.401 -3.879 4.069 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.796 -0.223 5.557 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.732 -1.569 4.852 1.00 0.00 H new ATOM 1727 N GLN A 109 1.976 -2.639 6.962 1.00 0.00 N ATOM 1728 CA GLN A 109 1.617 -1.602 7.929 1.00 0.00 C ATOM 1729 C GLN A 109 1.418 -2.195 9.320 1.00 0.00 C ATOM 1730 O GLN A 109 1.499 -1.491 10.329 1.00 0.00 O ATOM 1731 CB GLN A 109 0.355 -0.854 7.477 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.918 -1.694 7.441 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.829 -1.450 8.631 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.379 -1.127 9.727 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.125 -1.603 8.423 1.00 0.00 N ATOM 0 H GLN A 109 1.297 -2.767 6.212 1.00 0.00 H new ATOM 0 HA GLN A 109 2.441 -0.890 7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.194 -0.008 8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.530 -0.446 6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.464 -1.476 6.523 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.648 -2.750 7.408 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.465 -1.872 7.500 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.785 -1.452 9.186 1.00 0.00 H new ATOM 1744 N LYS A 110 1.177 -3.499 9.359 1.00 0.00 N ATOM 1745 CA LYS A 110 0.981 -4.219 10.602 1.00 0.00 C ATOM 1746 C LYS A 110 2.222 -4.107 11.485 1.00 0.00 C ATOM 1747 O LYS A 110 2.122 -3.995 12.706 1.00 0.00 O ATOM 1748 CB LYS A 110 0.700 -5.684 10.284 1.00 0.00 C ATOM 1749 CG LYS A 110 0.268 -6.513 11.474 1.00 0.00 C ATOM 1750 CD LYS A 110 0.531 -7.992 11.243 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.144 -8.494 9.978 1.00 0.00 C ATOM 1752 NZ LYS A 110 0.259 -9.885 9.653 1.00 0.00 N ATOM 0 H LYS A 110 1.113 -4.084 8.526 1.00 0.00 H new ATOM 0 HA LYS A 110 0.137 -3.788 11.141 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.077 -5.734 9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.598 -6.128 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.803 -6.181 12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.794 -6.356 11.663 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.605 -8.164 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.171 -8.563 12.099 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.226 -8.448 10.101 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.110 -7.838 9.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.222 -10.192 8.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.289 -9.924 9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.006 -10.515 10.436 1.00 0.00 H new ATOM 1766 N ASN A 111 3.391 -4.121 10.855 1.00 0.00 N ATOM 1767 CA ASN A 111 4.651 -4.097 11.591 1.00 0.00 C ATOM 1768 C ASN A 111 5.412 -2.794 11.365 1.00 0.00 C ATOM 1769 O ASN A 111 6.118 -2.321 12.259 1.00 0.00 O ATOM 1770 CB ASN A 111 5.546 -5.278 11.199 1.00 0.00 C ATOM 1771 CG ASN A 111 5.015 -6.623 11.665 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.811 -6.822 11.822 1.00 0.00 O ATOM 1773 ND2 ASN A 111 5.918 -7.564 11.885 1.00 0.00 N ATOM 0 H ASN A 111 3.493 -4.149 9.841 1.00 0.00 H new ATOM 0 HA ASN A 111 4.396 -4.175 12.648 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.656 -5.296 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.541 -5.124 11.618 1.00 0.00 H new ATOM 0 HD21 ASN A 111 5.624 -8.490 12.195 1.00 0.00 H new ATOM 0 HD22 ASN A 111 6.908 -7.363 11.744 1.00 0.00 H new ATOM 1780 N ASN A 112 5.268 -2.207 10.182 1.00 0.00 N ATOM 1781 CA ASN A 112 6.057 -1.031 9.823 1.00 0.00 C ATOM 1782 C ASN A 112 5.177 0.060 9.217 1.00 0.00 C ATOM 1783 O ASN A 112 5.261 0.340 8.023 1.00 0.00 O ATOM 1784 CB ASN A 112 7.166 -1.398 8.825 1.00 0.00 C ATOM 1785 CG ASN A 112 8.148 -2.430 9.348 1.00 0.00 C ATOM 1786 OD1 ASN A 112 9.073 -2.103 10.088 1.00 0.00 O ATOM 1787 ND2 ASN A 112 7.987 -3.672 8.921 1.00 0.00 N ATOM 0 H ASN A 112 4.619 -2.521 9.460 1.00 0.00 H new ATOM 0 HA ASN A 112 6.509 -0.654 10.740 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.708 -1.777 7.911 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.713 -0.494 8.556 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.644 -4.398 9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.206 -3.903 8.307 1.00 0.00 H new ATOM 1794 N LEU A 113 4.342 0.682 10.038 1.00 0.00 N ATOM 1795 CA LEU A 113 3.461 1.743 9.556 1.00 0.00 C ATOM 1796 C LEU A 113 4.172 3.094 9.541 1.00 0.00 C ATOM 1797 O LEU A 113 3.953 3.909 8.643 1.00 0.00 O ATOM 1798 CB LEU A 113 2.189 1.825 10.406 1.00 0.00 C ATOM 1799 CG LEU A 113 1.267 3.002 10.089 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.754 2.907 8.662 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.110 3.040 11.074 1.00 0.00 C ATOM 0 H LEU A 113 4.254 0.475 11.033 1.00 0.00 H new ATOM 0 HA LEU A 113 3.182 1.495 8.532 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.627 0.900 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.476 1.882 11.456 1.00 0.00 H new ATOM 0 HG LEU A 113 1.835 3.927 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.099 3.753 8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.597 2.922 7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.198 1.978 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.541 3.882 10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.458 2.112 11.004 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.498 3.153 12.086 1.00 0.00 H new ATOM 1813 N SER A 114 5.027 3.326 10.527 1.00 0.00 N ATOM 1814 CA SER A 114 5.738 4.596 10.636 1.00 0.00 C ATOM 1815 C SER A 114 6.646 4.819 9.428 1.00 0.00 C ATOM 1816 O SER A 114 6.806 5.949 8.962 1.00 0.00 O ATOM 1817 CB SER A 114 6.546 4.630 11.932 1.00 0.00 C ATOM 1818 OG SER A 114 5.719 4.319 13.043 1.00 0.00 O ATOM 0 H SER A 114 5.246 2.654 11.263 1.00 0.00 H new ATOM 0 HA SER A 114 5.006 5.403 10.656 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.369 3.917 11.873 1.00 0.00 H new ATOM 0 HB3 SER A 114 6.988 5.617 12.066 1.00 0.00 H new ATOM 0 HG SER A 114 6.252 4.343 13.865 1.00 0.00 H new ATOM 1824 N LEU A 115 7.215 3.734 8.907 1.00 0.00 N ATOM 1825 CA LEU A 115 8.052 3.803 7.717 1.00 0.00 C ATOM 1826 C LEU A 115 7.225 4.245 6.518 1.00 0.00 C ATOM 1827 O LEU A 115 7.711 4.950 5.639 1.00 0.00 O ATOM 1828 CB LEU A 115 8.679 2.440 7.432 1.00 0.00 C ATOM 1829 CG LEU A 115 9.626 2.396 6.233 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.836 3.272 6.491 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.056 0.967 5.944 1.00 0.00 C ATOM 0 H LEU A 115 7.110 2.796 9.293 1.00 0.00 H new ATOM 0 HA LEU A 115 8.844 4.531 7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.226 2.117 8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.879 1.717 7.270 1.00 0.00 H new ATOM 0 HG LEU A 115 9.098 2.777 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.504 3.233 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.513 4.300 6.653 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.363 2.914 7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.730 0.956 5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.569 0.558 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.178 0.360 5.723 1.00 0.00 H new ATOM 1843 N ILE A 116 5.966 3.833 6.508 1.00 0.00 N ATOM 1844 CA ILE A 116 5.052 4.171 5.432 1.00 0.00 C ATOM 1845 C ILE A 116 4.781 5.673 5.422 1.00 0.00 C ATOM 1846 O ILE A 116 4.766 6.312 4.370 1.00 0.00 O ATOM 1847 CB ILE A 116 3.722 3.395 5.574 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.975 1.887 5.483 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.728 3.833 4.513 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.713 1.058 5.571 1.00 0.00 C ATOM 0 H ILE A 116 5.553 3.258 7.242 1.00 0.00 H new ATOM 0 HA ILE A 116 5.518 3.886 4.489 1.00 0.00 H new ATOM 0 HB ILE A 116 3.296 3.618 6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.480 1.667 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.652 1.591 6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.800 3.274 4.631 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.527 4.899 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.143 3.641 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.967 0.000 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.218 1.249 6.523 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.044 1.326 4.754 1.00 0.00 H new ATOM 1862 N LYS A 117 4.601 6.231 6.610 1.00 0.00 N ATOM 1863 CA LYS A 117 4.357 7.658 6.764 1.00 0.00 C ATOM 1864 C LYS A 117 5.611 8.462 6.431 1.00 0.00 C ATOM 1865 O LYS A 117 5.536 9.537 5.834 1.00 0.00 O ATOM 1866 CB LYS A 117 3.896 7.961 8.188 1.00 0.00 C ATOM 1867 CG LYS A 117 2.510 7.413 8.500 1.00 0.00 C ATOM 1868 CD LYS A 117 2.108 7.684 9.943 1.00 0.00 C ATOM 1869 CE LYS A 117 0.707 7.171 10.245 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.335 7.390 11.668 1.00 0.00 N ATOM 0 H LYS A 117 4.620 5.712 7.488 1.00 0.00 H new ATOM 0 HA LYS A 117 3.571 7.950 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.613 7.540 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.896 9.040 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.780 7.865 7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.493 6.339 8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.822 7.208 10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.153 8.756 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.012 7.675 9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.652 6.107 10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.625 7.028 11.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.006 6.888 12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.363 8.407 11.882 1.00 0.00 H new ATOM 1884 N ALA A 118 6.762 7.930 6.820 1.00 0.00 N ATOM 1885 CA ALA A 118 8.043 8.567 6.545 1.00 0.00 C ATOM 1886 C ALA A 118 8.405 8.476 5.067 1.00 0.00 C ATOM 1887 O ALA A 118 9.070 9.357 4.524 1.00 0.00 O ATOM 1888 CB ALA A 118 9.122 7.915 7.380 1.00 0.00 C ATOM 0 H ALA A 118 6.834 7.051 7.332 1.00 0.00 H new ATOM 0 HA ALA A 118 7.961 9.622 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.080 8.392 7.174 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.881 8.027 8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.184 6.855 7.132 1.00 0.00 H new ATOM 1894 N SER A 119 7.972 7.394 4.439 1.00 0.00 N ATOM 1895 CA SER A 119 8.228 7.149 3.024 1.00 0.00 C ATOM 1896 C SER A 119 7.716 8.295 2.155 1.00 0.00 C ATOM 1897 O SER A 119 8.414 8.765 1.254 1.00 0.00 O ATOM 1898 CB SER A 119 7.559 5.840 2.602 1.00 0.00 C ATOM 1899 OG SER A 119 7.830 5.536 1.250 1.00 0.00 O ATOM 0 H SER A 119 7.432 6.658 4.895 1.00 0.00 H new ATOM 0 HA SER A 119 9.306 7.078 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.912 5.028 3.237 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.482 5.916 2.751 1.00 0.00 H new ATOM 0 HG SER A 119 7.163 4.900 0.918 1.00 0.00 H new ATOM 1905 N ILE A 120 6.503 8.746 2.439 1.00 0.00 N ATOM 1906 CA ILE A 120 5.873 9.799 1.654 1.00 0.00 C ATOM 1907 C ILE A 120 6.283 11.180 2.155 1.00 0.00 C ATOM 1908 O ILE A 120 5.889 12.200 1.588 1.00 0.00 O ATOM 1909 CB ILE A 120 4.336 9.681 1.698 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.853 9.612 3.143 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.877 8.457 0.923 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.354 9.698 3.291 1.00 0.00 C ATOM 0 H ILE A 120 5.933 8.398 3.210 1.00 0.00 H new ATOM 0 HA ILE A 120 6.212 9.677 0.625 1.00 0.00 H new ATOM 0 HB ILE A 120 3.904 10.566 1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.199 8.679 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.311 10.424 3.708 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.790 8.387 0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.197 8.543 -0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.315 7.562 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.089 9.642 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.001 10.643 2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.887 8.871 2.755 1.00 0.00 H new ATOM 1924 N LYS A 121 7.076 11.210 3.216 1.00 0.00 N ATOM 1925 CA LYS A 121 7.518 12.465 3.795 1.00 0.00 C ATOM 1926 C LYS A 121 8.733 13.002 3.052 1.00 0.00 C ATOM 1927 O LYS A 121 9.782 12.356 2.999 1.00 0.00 O ATOM 1928 CB LYS A 121 7.851 12.280 5.275 1.00 0.00 C ATOM 1929 CG LYS A 121 8.277 13.567 5.963 1.00 0.00 C ATOM 1930 CD LYS A 121 8.655 13.327 7.414 1.00 0.00 C ATOM 1931 CE LYS A 121 9.084 14.614 8.098 1.00 0.00 C ATOM 1932 NZ LYS A 121 9.375 14.405 9.540 1.00 0.00 N ATOM 0 H LYS A 121 7.425 10.378 3.692 1.00 0.00 H new ATOM 0 HA LYS A 121 6.707 13.187 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.979 11.874 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.649 11.544 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.125 14.000 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.465 14.293 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.806 12.897 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.465 12.599 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.970 15.010 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.298 15.361 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.664 15.307 9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.522 14.051 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.143 13.711 9.642 1.00 0.00 H new ATOM 1946 N LYS A 122 8.584 14.182 2.481 1.00 0.00 N ATOM 1947 CA LYS A 122 9.683 14.853 1.810 1.00 0.00 C ATOM 1948 C LYS A 122 9.544 16.354 1.971 1.00 0.00 C ATOM 1949 O LYS A 122 8.808 17.008 1.231 1.00 0.00 O ATOM 1950 CB LYS A 122 9.741 14.506 0.322 1.00 0.00 C ATOM 1951 CG LYS A 122 11.135 14.153 -0.178 1.00 0.00 C ATOM 1952 CD LYS A 122 12.125 15.267 0.131 1.00 0.00 C ATOM 1953 CE LYS A 122 13.450 15.067 -0.581 1.00 0.00 C ATOM 1954 NZ LYS A 122 13.314 15.213 -2.051 1.00 0.00 N ATOM 0 H LYS A 122 7.705 14.700 2.468 1.00 0.00 H new ATOM 0 HA LYS A 122 10.608 14.509 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.074 13.666 0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.363 15.352 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 122 11.468 13.226 0.288 1.00 0.00 H new ATOM 0 HG3 LYS A 122 11.105 13.976 -1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 122 11.696 16.225 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 122 12.295 15.312 1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 122 14.175 15.791 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 122 13.841 14.076 -0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 14.253 15.358 -2.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 12.885 14.353 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 12.709 16.031 -2.264 1.00 0.00 H new ATOM 1968 N ASP A 123 10.250 16.883 2.946 1.00 0.00 N ATOM 1969 CA ASP A 123 10.254 18.309 3.205 1.00 0.00 C ATOM 1970 C ASP A 123 11.521 18.929 2.633 1.00 0.00 C ATOM 1971 O ASP A 123 11.459 19.516 1.531 1.00 0.00 O ATOM 1972 CB ASP A 123 10.168 18.568 4.707 1.00 0.00 C ATOM 1973 CG ASP A 123 9.936 20.026 5.040 1.00 0.00 C ATOM 1974 OD1 ASP A 123 10.903 20.731 5.392 1.00 0.00 O ATOM 1975 OD2 ASP A 123 8.772 20.471 4.979 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.588 18.780 3.267 1.00 0.00 O ATOM 0 H ASP A 123 10.836 16.340 3.581 1.00 0.00 H new ATOM 0 HA ASP A 123 9.388 18.765 2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 123 9.359 17.971 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 123 11.091 18.234 5.182 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.392 6.353 2.475 1.00 0.00 C HETATM 1983 C2 ACD A 201 -3.815 5.120 1.831 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.661 5.517 0.924 1.00 0.00 C HETATM 1985 C4 ACD A 201 -1.903 4.289 0.422 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.194 3.634 1.572 1.00 0.00 C HETATM 1987 C6 ACD A 201 0.024 4.010 1.870 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.642 5.169 1.127 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.887 5.651 1.826 1.00 0.00 C HETATM 1990 C9 ACD A 201 3.054 5.155 1.505 1.00 0.00 C HETATM 1991 C10 ACD A 201 3.160 4.155 0.390 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.558 3.609 0.326 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.750 2.330 0.170 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.579 1.416 -0.056 1.00 0.00 C HETATM 1995 C14 ACD A 201 3.073 0.926 1.274 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.978 -0.356 1.504 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.479 -1.338 0.481 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.640 -2.713 1.112 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.921 -3.771 0.051 1.00 0.00 C HETATM 2000 C19 ACD A 201 4.164 -5.128 0.698 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.309 -6.218 -0.357 1.00 0.00 C HETATM 2002 O1 ACD A 201 -5.567 6.671 2.214 1.00 0.00 O HETATM 2003 O2 ACD A 201 -3.666 7.016 3.239 1.00 0.00 O HETATM 0 H203 ACD A 201 3.397 -6.273 -0.951 1.00 0.00 H new HETATM 0 H202 ACD A 201 5.152 -5.985 -1.007 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.482 -7.177 0.132 1.00 0.00 H new HETATM 0 H192 ACD A 201 5.065 -5.087 1.310 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.337 -5.370 1.365 1.00 0.00 H new HETATM 0 H182 ACD A 201 3.078 -3.836 -0.637 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.792 -3.481 -0.537 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.456 -2.692 1.835 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.735 -2.974 1.660 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.781 -1.392 -0.355 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.434 -1.000 0.078 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.787 1.944 -0.588 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.875 0.573 -0.680 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.450 3.343 0.549 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.900 4.625 -0.558 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.948 5.467 2.046 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.815 6.414 2.601 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.886 4.865 0.109 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.078 5.984 1.053 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.586 3.491 2.647 1.00 0.00 H new HETATM 0 H5 ACD A 201 -1.688 2.854 2.152 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.595 3.585 -0.041 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.184 4.580 -0.344 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.041 6.085 0.075 1.00 0.00 H new HETATM 0 H31 ACD A 201 -1.979 6.172 1.465 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.468 4.425 2.596 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.583 4.603 1.256 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.537 -0.713 2.435 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.786 1.641 2.045 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.760 1.923 0.203 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.411 4.282 0.410 1.00 0.00 H new