USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1101 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 37 MET CE :methyl -167:sc= -0.028 (180deg=-0.127) USER MOD Set 1.2: C 38 ASN : amide:sc= -2.31! C(o=-1.2!,f=-9.2!) USER MOD Set 1.3: C 40 LYS NZ :NH3+ -177:sc= 1.16 (180deg=0) USER MOD Set 2.1: C 23 THR OG1 : rot -145:sc= 0.967 USER MOD Set 2.2: C 27 GLN : amide:sc= 0.84 K(o=1.8,f=-0.91) USER MOD Set 3.1: C 22 LYS NZ :NH3+ -170:sc= 0.578 (180deg=0) USER MOD Set 3.2: C 26 SER OG : rot -48:sc= 0.761 USER MOD Single : A 0 SER OG : rot 48:sc= 0.224 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.179 (180deg=-0.814) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00427 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00082) USER MOD Single : A -1 GLY N :NH3+ -118:sc= 0.0964 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= -0.329 USER MOD Single : A 14 HIS :FLIP no HE2:sc= -4.73 F(o=-5.5,f=-4.7) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.16 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 4 HIS :FLIP no HD1:sc= -0.402 F(o=-1.1,f=-0.4) USER MOD Single : C 5 HIS : no HD1:sc=-0.00463 X(o=-0.0046,f=0) USER MOD Single : C 6 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : C 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 8 HIS : no HE2:sc= 1.21 K(o=1.2,f=-5.4!) USER MOD Single : C 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 15 LYS NZ :NH3+ -167:sc= -0.0431 (180deg=-0.245) USER MOD Single : C 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 28 THR OG1 : rot 180:sc= -2.32! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.04 USER MOD Single : C 36 GLN :FLIP amide:sc=-0.00497 F(o=-1.1!,f=-0.005) USER MOD Single : C 43 LYS NZ :NH3+ -158:sc= -0.41 (180deg=-1.26) USER MOD Single : C 45 HIS : no HD1:sc= -0.0498 X(o=-0.05,f=-0.014) USER MOD Single : C 49 SER OG : rot 180:sc= 0.148 USER MOD Single : C 51 SER OG : rot -36:sc= 0.819 USER MOD Single : C 54 SER OG : rot 160:sc= 0.0574 USER MOD Single : C 56 LYS NZ :NH3+ 177:sc= 1.6 (180deg=1.44) USER MOD Single : C 57 GLN : amide:sc= -3.2! C(o=-3.2!,f=-7.5!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.0212 USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 67 GLN : amide:sc= 0.0701 X(o=0.07,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 166:sc= -0.0153 (180deg=-0.163) USER MOD Single : C 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0334) USER MOD Single : C 73 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : C 75 TYR OH : rot 82:sc= 0.346 USER MOD Single : C 76 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.49) USER MOD Single : C 80 LYS NZ :NH3+ -169:sc= 0.0194 (180deg=-0.0475) USER MOD Single : C 83 HIS : no HD1:sc= -0.221 K(o=-0.22,f=-0.82) USER MOD Single : C 91 GLN : amide:sc= -2.8! C(o=-2.8!,f=-11!) USER MOD Single : C 92 THR OG1 : rot -46:sc= 0.641 USER MOD Single : C 93 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : C 96 SER OG : rot 180:sc= 0 USER MOD Single : C 99 SER OG : rot 180:sc= 0 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -27.889 -18.760 15.076 1.00 0.00 N ATOM 2 CA GLY A -1 -28.163 -18.082 16.365 1.00 0.00 C ATOM 3 C GLY A -1 -27.072 -17.103 16.737 1.00 0.00 C ATOM 4 O GLY A -1 -26.062 -16.997 16.039 1.00 0.00 O ATOM 0 H1 GLY A -1 -28.639 -18.526 14.394 1.00 0.00 H new ATOM 0 H2 GLY A -1 -26.971 -18.441 14.704 1.00 0.00 H new ATOM 0 H3 GLY A -1 -27.864 -19.789 15.223 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -29.115 -17.556 16.302 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -28.263 -18.829 17.153 1.00 0.00 H new ATOM 10 N SER A 0 -27.272 -16.390 17.836 1.00 0.00 N ATOM 11 CA SER A 0 -26.312 -15.402 18.296 1.00 0.00 C ATOM 12 C SER A 0 -25.126 -16.078 18.977 1.00 0.00 C ATOM 13 O SER A 0 -25.180 -16.414 20.163 1.00 0.00 O ATOM 14 CB SER A 0 -27.002 -14.428 19.251 1.00 0.00 C ATOM 15 OG SER A 0 -27.761 -15.130 20.223 1.00 0.00 O ATOM 0 H SER A 0 -28.098 -16.480 18.428 1.00 0.00 H new ATOM 0 HA SER A 0 -25.931 -14.849 17.438 1.00 0.00 H new ATOM 0 HB2 SER A 0 -26.256 -13.806 19.745 1.00 0.00 H new ATOM 0 HB3 SER A 0 -27.653 -13.759 18.688 1.00 0.00 H new ATOM 0 HG SER A 0 -27.217 -15.850 20.605 1.00 0.00 H new ATOM 21 N MET A 1 -24.063 -16.286 18.214 1.00 0.00 N ATOM 22 CA MET A 1 -22.859 -16.927 18.722 1.00 0.00 C ATOM 23 C MET A 1 -21.680 -16.598 17.820 1.00 0.00 C ATOM 24 O MET A 1 -20.653 -16.097 18.279 1.00 0.00 O ATOM 25 CB MET A 1 -23.054 -18.443 18.810 1.00 0.00 C ATOM 26 CG MET A 1 -21.831 -19.188 19.321 1.00 0.00 C ATOM 27 SD MET A 1 -22.121 -20.958 19.506 1.00 0.00 S ATOM 28 CE MET A 1 -23.415 -20.961 20.746 1.00 0.00 C ATOM 0 H MET A 1 -24.010 -16.017 17.231 1.00 0.00 H new ATOM 0 HA MET A 1 -22.656 -16.549 19.724 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.898 -18.654 19.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.315 -18.825 17.823 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.001 -19.030 18.633 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.532 -18.771 20.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.424 -21.922 21.260 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.230 -20.165 21.467 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.380 -20.798 20.266 1.00 0.00 H new ATOM 38 N ALA A 2 -21.838 -16.880 16.536 1.00 0.00 N ATOM 39 CA ALA A 2 -20.823 -16.562 15.548 1.00 0.00 C ATOM 40 C ALA A 2 -21.467 -16.339 14.187 1.00 0.00 C ATOM 41 O ALA A 2 -22.060 -17.257 13.618 1.00 0.00 O ATOM 42 CB ALA A 2 -19.783 -17.672 15.468 1.00 0.00 C ATOM 0 H ALA A 2 -22.668 -17.333 16.153 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.320 -15.644 15.853 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.032 -17.414 14.722 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.303 -17.792 16.439 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -20.269 -18.606 15.186 1.00 0.00 H new ATOM 48 N GLU A 3 -21.372 -15.114 13.683 1.00 0.00 N ATOM 49 CA GLU A 3 -21.924 -14.779 12.374 1.00 0.00 C ATOM 50 C GLU A 3 -21.052 -15.355 11.264 1.00 0.00 C ATOM 51 O GLU A 3 -20.266 -14.632 10.647 1.00 0.00 O ATOM 52 CB GLU A 3 -22.043 -13.259 12.215 1.00 0.00 C ATOM 53 CG GLU A 3 -22.950 -12.606 13.244 1.00 0.00 C ATOM 54 CD GLU A 3 -23.125 -11.120 13.010 1.00 0.00 C ATOM 55 OE1 GLU A 3 -24.033 -10.740 12.239 1.00 0.00 O ATOM 56 OE2 GLU A 3 -22.367 -10.324 13.606 1.00 0.00 O ATOM 0 H GLU A 3 -20.918 -14.335 14.161 1.00 0.00 H new ATOM 0 HA GLU A 3 -22.919 -15.217 12.300 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.050 -12.816 12.287 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -22.420 -13.035 11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -23.926 -13.091 13.221 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.537 -12.767 14.240 1.00 0.00 H new ATOM 63 N ALA A 4 -21.203 -16.662 11.031 1.00 0.00 N ATOM 64 CA ALA A 4 -20.411 -17.408 10.049 1.00 0.00 C ATOM 65 C ALA A 4 -18.946 -17.483 10.470 1.00 0.00 C ATOM 66 O ALA A 4 -18.463 -18.532 10.902 1.00 0.00 O ATOM 67 CB ALA A 4 -20.545 -16.807 8.654 1.00 0.00 C ATOM 0 H ALA A 4 -21.886 -17.238 11.524 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.805 -18.423 10.012 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.945 -17.384 7.950 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.590 -16.832 8.346 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.195 -15.775 8.667 1.00 0.00 H new ATOM 73 N SER A 5 -18.249 -16.368 10.348 1.00 0.00 N ATOM 74 CA SER A 5 -16.863 -16.261 10.770 1.00 0.00 C ATOM 75 C SER A 5 -16.562 -14.819 11.174 1.00 0.00 C ATOM 76 O SER A 5 -16.027 -14.043 10.383 1.00 0.00 O ATOM 77 CB SER A 5 -15.927 -16.710 9.645 1.00 0.00 C ATOM 78 OG SER A 5 -16.165 -18.065 9.289 1.00 0.00 O ATOM 0 H SER A 5 -18.629 -15.508 9.952 1.00 0.00 H new ATOM 0 HA SER A 5 -16.699 -16.912 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.070 -16.072 8.773 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.891 -16.591 9.961 1.00 0.00 H new ATOM 0 HG SER A 5 -15.555 -18.326 8.568 1.00 0.00 H new ATOM 84 N PRO A 6 -16.916 -14.440 12.413 1.00 0.00 N ATOM 85 CA PRO A 6 -16.771 -13.064 12.898 1.00 0.00 C ATOM 86 C PRO A 6 -15.353 -12.739 13.372 1.00 0.00 C ATOM 87 O PRO A 6 -15.146 -12.342 14.522 1.00 0.00 O ATOM 88 CB PRO A 6 -17.754 -13.019 14.063 1.00 0.00 C ATOM 89 CG PRO A 6 -17.736 -14.404 14.614 1.00 0.00 C ATOM 90 CD PRO A 6 -17.497 -15.323 13.443 1.00 0.00 C ATOM 0 HA PRO A 6 -16.964 -12.330 12.115 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.449 -12.289 14.813 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.753 -12.736 13.730 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -16.951 -14.515 15.362 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -18.680 -14.639 15.106 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.817 -16.134 13.704 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -18.424 -15.782 13.099 1.00 0.00 H new ATOM 98 N HIS A 7 -14.384 -12.905 12.484 1.00 0.00 N ATOM 99 CA HIS A 7 -12.989 -12.603 12.794 1.00 0.00 C ATOM 100 C HIS A 7 -12.126 -12.558 11.527 1.00 0.00 C ATOM 101 O HIS A 7 -11.418 -11.578 11.312 1.00 0.00 O ATOM 102 CB HIS A 7 -12.407 -13.599 13.808 1.00 0.00 C ATOM 103 CG HIS A 7 -10.953 -13.373 14.109 1.00 0.00 C ATOM 104 ND1 HIS A 7 -9.975 -14.302 13.829 1.00 0.00 N ATOM 105 CD2 HIS A 7 -10.316 -12.318 14.671 1.00 0.00 C ATOM 106 CE1 HIS A 7 -8.803 -13.831 14.206 1.00 0.00 C ATOM 107 NE2 HIS A 7 -8.982 -12.629 14.720 1.00 0.00 N ATOM 0 H HIS A 7 -14.537 -13.249 11.536 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.973 -11.612 13.248 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.976 -13.534 14.736 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.537 -14.611 13.425 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.774 -11.403 15.016 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.857 -14.342 14.110 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.247 -12.029 15.093 1.00 0.00 H new ATOM 116 N PRO A 8 -12.164 -13.591 10.660 1.00 0.00 N ATOM 117 CA PRO A 8 -11.361 -13.630 9.472 1.00 0.00 C ATOM 118 C PRO A 8 -12.123 -13.133 8.256 1.00 0.00 C ATOM 119 O PRO A 8 -13.216 -13.614 7.946 1.00 0.00 O ATOM 120 CB PRO A 8 -11.019 -15.093 9.360 1.00 0.00 C ATOM 121 CG PRO A 8 -12.185 -15.818 9.960 1.00 0.00 C ATOM 122 CD PRO A 8 -13.004 -14.783 10.701 1.00 0.00 C ATOM 0 HA PRO A 8 -10.485 -12.983 9.521 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.868 -15.383 8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.096 -15.323 9.892 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.781 -16.301 9.186 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.847 -16.602 10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.967 -14.612 10.219 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.211 -15.093 11.725 1.00 0.00 H new ATOM 130 N GLY A 9 -11.562 -12.152 7.579 1.00 0.00 N ATOM 131 CA GLY A 9 -12.254 -11.580 6.458 1.00 0.00 C ATOM 132 C GLY A 9 -12.642 -10.146 6.698 1.00 0.00 C ATOM 133 O GLY A 9 -13.347 -9.543 5.893 1.00 0.00 O ATOM 0 H GLY A 9 -10.649 -11.746 7.784 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.620 -11.639 5.573 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.149 -12.166 6.249 1.00 0.00 H new ATOM 137 N ARG A 10 -12.202 -9.616 7.820 1.00 0.00 N ATOM 138 CA ARG A 10 -12.460 -8.223 8.177 1.00 0.00 C ATOM 139 C ARG A 10 -11.648 -7.291 7.285 1.00 0.00 C ATOM 140 O ARG A 10 -10.577 -6.810 7.662 1.00 0.00 O ATOM 141 CB ARG A 10 -12.121 -7.973 9.652 1.00 0.00 C ATOM 142 CG ARG A 10 -13.050 -8.662 10.644 1.00 0.00 C ATOM 143 CD ARG A 10 -12.641 -8.340 12.074 1.00 0.00 C ATOM 144 NE ARG A 10 -13.572 -8.870 13.073 1.00 0.00 N ATOM 145 CZ ARG A 10 -13.270 -9.002 14.365 1.00 0.00 C ATOM 146 NH1 ARG A 10 -12.046 -8.718 14.796 1.00 0.00 N ATOM 147 NH2 ARG A 10 -14.185 -9.430 15.226 1.00 0.00 N ATOM 0 H ARG A 10 -11.657 -10.130 8.512 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.520 -8.019 8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.100 -8.308 9.838 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.144 -6.899 9.839 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.077 -8.340 10.473 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.024 -9.740 10.487 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.647 -8.746 12.261 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.570 -7.259 12.190 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.502 -9.153 12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.335 -8.398 14.138 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.817 -8.820 15.785 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.124 -9.660 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.949 -9.529 16.213 1.00 0.00 H new ATOM 161 N TYR A 11 -12.172 -7.048 6.095 1.00 0.00 N ATOM 162 CA TYR A 11 -11.564 -6.128 5.151 1.00 0.00 C ATOM 163 C TYR A 11 -12.484 -4.972 4.932 1.00 0.00 C ATOM 164 O TYR A 11 -13.666 -5.024 5.262 1.00 0.00 O ATOM 165 CB TYR A 11 -11.314 -6.784 3.790 1.00 0.00 C ATOM 166 CG TYR A 11 -10.177 -7.730 3.742 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.173 -8.856 4.532 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.111 -7.489 2.898 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.124 -9.735 4.494 1.00 0.00 C ATOM 170 CE2 TYR A 11 -8.046 -8.363 2.853 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.055 -9.487 3.658 1.00 0.00 C ATOM 172 OH TYR A 11 -6.998 -10.366 3.623 1.00 0.00 O ATOM 0 H TYR A 11 -13.030 -7.483 5.757 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.610 -5.812 5.573 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.218 -7.313 3.489 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.143 -5.999 3.053 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.007 -9.049 5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.112 -6.611 2.270 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.133 -10.618 5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.212 -8.171 2.195 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.318 -11.270 3.826 1.00 0.00 H new ATOM 182 N PHE A 12 -11.951 -3.953 4.337 1.00 0.00 N ATOM 183 CA PHE A 12 -12.726 -2.788 4.025 1.00 0.00 C ATOM 184 C PHE A 12 -12.320 -2.267 2.668 1.00 0.00 C ATOM 185 O PHE A 12 -11.156 -1.937 2.443 1.00 0.00 O ATOM 186 CB PHE A 12 -12.564 -1.702 5.080 1.00 0.00 C ATOM 187 CG PHE A 12 -13.580 -0.615 4.952 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.911 -0.867 5.248 1.00 0.00 C ATOM 189 CD2 PHE A 12 -13.216 0.652 4.518 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.860 0.132 5.108 1.00 0.00 C ATOM 191 CE2 PHE A 12 -14.159 1.652 4.381 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.482 1.393 4.676 1.00 0.00 C ATOM 0 H PHE A 12 -10.972 -3.901 4.054 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.779 -3.070 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.641 -2.150 6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.566 -1.271 5.001 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.209 -1.847 5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.182 0.859 4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.896 -0.072 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.862 2.634 4.044 1.00 0.00 H new ATOM 0 HZ PHE A 12 -16.222 2.172 4.570 1.00 0.00 H new ATOM 202 N CYS A 13 -13.261 -2.229 1.752 1.00 0.00 N ATOM 203 CA CYS A 13 -12.978 -1.688 0.452 1.00 0.00 C ATOM 204 C CYS A 13 -13.402 -0.236 0.398 1.00 0.00 C ATOM 205 O CYS A 13 -14.593 0.077 0.377 1.00 0.00 O ATOM 206 CB CYS A 13 -13.635 -2.511 -0.649 1.00 0.00 C ATOM 207 SG CYS A 13 -14.129 -1.574 -2.116 1.00 0.00 S ATOM 0 H CYS A 13 -14.216 -2.563 1.885 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.903 -1.738 0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.945 -3.297 -0.955 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.516 -3.003 -0.237 1.00 0.00 H new ATOM 212 N HIS A 14 -12.419 0.649 0.401 1.00 0.00 N ATOM 213 CA HIS A 14 -12.661 2.078 0.355 1.00 0.00 C ATOM 214 C HIS A 14 -13.372 2.492 -0.932 1.00 0.00 C ATOM 215 O HIS A 14 -13.910 3.591 -1.023 1.00 0.00 O ATOM 216 CB HIS A 14 -11.342 2.836 0.514 1.00 0.00 C ATOM 217 CG HIS A 14 -10.253 2.390 -0.414 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.271 1.473 -0.249 1.00 0.00 N flip ATOM 219 CD2 HIS A 14 -10.073 2.916 -1.673 1.00 0.00 C flip ATOM 220 CE1 HIS A 14 -8.523 1.463 -1.399 1.00 0.00 C flip ATOM 221 NE2 HIS A 14 -9.030 2.341 -2.241 1.00 0.00 N flip ATOM 0 H HIS A 14 -11.432 0.395 0.435 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.322 2.334 1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.526 3.898 0.353 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.995 2.724 1.541 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -9.116 0.896 0.578 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.689 3.679 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.661 0.839 -1.584 1.00 0.00 H new ATOM 230 N CYS A 15 -13.373 1.609 -1.925 1.00 0.00 N ATOM 231 CA CYS A 15 -14.089 1.860 -3.165 1.00 0.00 C ATOM 232 C CYS A 15 -15.601 1.765 -2.944 1.00 0.00 C ATOM 233 O CYS A 15 -16.381 2.453 -3.599 1.00 0.00 O ATOM 234 CB CYS A 15 -13.651 0.895 -4.232 1.00 0.00 C ATOM 235 SG CYS A 15 -14.030 1.421 -5.917 1.00 0.00 S ATOM 0 H CYS A 15 -12.885 0.714 -1.893 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.854 2.871 -3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.575 0.741 -4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -14.126 -0.069 -4.050 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.610 0.522 -6.757 1.00 0.00 H new ATOM 241 N CYS A 16 -16.004 0.914 -2.005 1.00 0.00 N ATOM 242 CA CYS A 16 -17.412 0.777 -1.646 1.00 0.00 C ATOM 243 C CYS A 16 -17.728 1.587 -0.387 1.00 0.00 C ATOM 244 O CYS A 16 -18.861 2.014 -0.173 1.00 0.00 O ATOM 245 CB CYS A 16 -17.774 -0.696 -1.400 1.00 0.00 C ATOM 246 SG CYS A 16 -17.807 -1.741 -2.879 1.00 0.00 S ATOM 0 H CYS A 16 -15.375 0.308 -1.478 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.003 1.156 -2.480 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -17.058 -1.116 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.753 -0.738 -0.923 1.00 0.00 H new ATOM 251 N SER A 17 -16.689 1.786 0.428 1.00 0.00 N ATOM 252 CA SER A 17 -16.798 2.375 1.766 1.00 0.00 C ATOM 253 C SER A 17 -17.757 1.562 2.626 1.00 0.00 C ATOM 254 O SER A 17 -18.394 2.080 3.544 1.00 0.00 O ATOM 255 CB SER A 17 -17.241 3.834 1.728 1.00 0.00 C ATOM 256 OG SER A 17 -16.884 4.452 0.501 1.00 0.00 O ATOM 0 H SER A 17 -15.733 1.539 0.173 1.00 0.00 H new ATOM 0 HA SER A 17 -15.801 2.350 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.321 3.892 1.865 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.785 4.376 2.556 1.00 0.00 H new ATOM 0 HG SER A 17 -17.183 5.385 0.506 1.00 0.00 H new ATOM 262 N VAL A 18 -17.836 0.278 2.317 1.00 0.00 N ATOM 263 CA VAL A 18 -18.613 -0.667 3.093 1.00 0.00 C ATOM 264 C VAL A 18 -17.731 -1.872 3.357 1.00 0.00 C ATOM 265 O VAL A 18 -16.922 -2.243 2.501 1.00 0.00 O ATOM 266 CB VAL A 18 -19.890 -1.113 2.345 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.699 -2.093 3.180 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.747 0.082 1.958 1.00 0.00 C ATOM 0 H VAL A 18 -17.360 -0.137 1.516 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.933 -0.194 4.021 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.574 -1.617 1.432 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.592 -2.390 2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.095 -2.974 3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.992 -1.618 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.638 -0.264 1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.042 0.624 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -20.176 0.743 1.306 1.00 0.00 H new ATOM 278 N GLU A 19 -17.860 -2.460 4.531 1.00 0.00 N ATOM 279 CA GLU A 19 -17.003 -3.563 4.909 1.00 0.00 C ATOM 280 C GLU A 19 -17.360 -4.820 4.125 1.00 0.00 C ATOM 281 O GLU A 19 -18.521 -5.034 3.754 1.00 0.00 O ATOM 282 CB GLU A 19 -17.078 -3.803 6.407 1.00 0.00 C ATOM 283 CG GLU A 19 -16.172 -4.895 6.867 1.00 0.00 C ATOM 284 CD GLU A 19 -16.258 -5.147 8.357 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.619 -4.408 9.136 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.981 -6.085 8.759 1.00 0.00 O ATOM 0 H GLU A 19 -18.547 -2.193 5.236 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.974 -3.304 4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.823 -2.882 6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.104 -4.051 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.419 -5.813 6.334 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.145 -4.641 6.606 1.00 0.00 H new ATOM 293 N ILE A 20 -16.348 -5.639 3.868 1.00 0.00 N ATOM 294 CA ILE A 20 -16.475 -6.772 2.970 1.00 0.00 C ATOM 295 C ILE A 20 -15.752 -7.993 3.535 1.00 0.00 C ATOM 296 O ILE A 20 -14.982 -7.876 4.489 1.00 0.00 O ATOM 297 CB ILE A 20 -15.859 -6.463 1.598 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.373 -6.498 1.748 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.264 -5.084 1.127 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.622 -6.952 0.541 1.00 0.00 C ATOM 0 H ILE A 20 -15.419 -5.534 4.277 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.541 -6.974 2.865 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.206 -7.196 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -14.028 -5.500 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.123 -7.156 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.816 -4.886 0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.350 -5.032 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.918 -4.339 1.843 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.553 -6.942 0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.931 -7.964 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.833 -6.282 -0.292 1.00 0.00 H new ATOM 312 N VAL A 21 -16.013 -9.154 2.949 1.00 0.00 N ATOM 313 CA VAL A 21 -15.165 -10.314 3.128 1.00 0.00 C ATOM 314 C VAL A 21 -14.707 -10.780 1.760 1.00 0.00 C ATOM 315 O VAL A 21 -15.422 -11.470 1.033 1.00 0.00 O ATOM 316 CB VAL A 21 -15.862 -11.480 3.852 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.853 -12.567 4.186 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.577 -11.001 5.102 1.00 0.00 C ATOM 0 H VAL A 21 -16.816 -9.313 2.340 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.328 -10.014 3.759 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.615 -11.898 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.357 -13.387 4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.400 -12.938 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.078 -12.157 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -17.060 -11.847 5.592 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.856 -10.550 5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.330 -10.261 4.830 1.00 0.00 H new ATOM 328 N PRO A 22 -13.511 -10.342 1.408 1.00 0.00 N ATOM 329 CA PRO A 22 -12.916 -10.484 0.081 1.00 0.00 C ATOM 330 C PRO A 22 -12.812 -11.898 -0.469 1.00 0.00 C ATOM 331 O PRO A 22 -13.106 -12.897 0.188 1.00 0.00 O ATOM 332 CB PRO A 22 -11.508 -9.912 0.258 1.00 0.00 C ATOM 333 CG PRO A 22 -11.310 -9.779 1.716 1.00 0.00 C ATOM 334 CD PRO A 22 -12.640 -9.594 2.303 1.00 0.00 C ATOM 0 HA PRO A 22 -13.554 -9.981 -0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.759 -10.572 -0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.412 -8.947 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.826 -10.666 2.124 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.664 -8.931 1.944 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.686 -9.978 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.917 -8.541 2.346 1.00 0.00 H new ATOM 342 N ARG A 23 -12.339 -11.927 -1.701 1.00 0.00 N ATOM 343 CA ARG A 23 -12.131 -13.120 -2.474 1.00 0.00 C ATOM 344 C ARG A 23 -10.632 -13.322 -2.617 1.00 0.00 C ATOM 345 O ARG A 23 -10.079 -13.399 -3.713 1.00 0.00 O ATOM 346 CB ARG A 23 -12.838 -12.977 -3.803 1.00 0.00 C ATOM 347 CG ARG A 23 -14.283 -13.414 -3.792 1.00 0.00 C ATOM 348 CD ARG A 23 -15.006 -12.859 -4.980 1.00 0.00 C ATOM 349 NE ARG A 23 -16.380 -13.351 -5.067 1.00 0.00 N ATOM 350 CZ ARG A 23 -16.963 -13.758 -6.195 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.284 -13.787 -7.336 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.226 -14.161 -6.176 1.00 0.00 N ATOM 0 H ARG A 23 -12.081 -11.079 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.548 -14.003 -1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.789 -11.934 -4.116 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.301 -13.560 -4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.340 -14.502 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.765 -13.076 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.014 -11.771 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.467 -13.126 -5.889 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.929 -13.385 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.307 -13.496 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.740 -14.100 -8.193 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.749 -14.159 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.675 -14.473 -7.037 1.00 0.00 H new ATOM 366 N LEU A 24 -10.021 -13.237 -1.440 1.00 0.00 N ATOM 367 CA LEU A 24 -8.609 -13.552 -1.129 1.00 0.00 C ATOM 368 C LEU A 24 -7.734 -14.053 -2.287 1.00 0.00 C ATOM 369 O LEU A 24 -6.690 -13.450 -2.524 1.00 0.00 O ATOM 370 CB LEU A 24 -8.547 -14.543 0.042 1.00 0.00 C ATOM 371 CG LEU A 24 -8.343 -13.937 1.436 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.914 -13.455 1.599 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.316 -12.795 1.685 1.00 0.00 C ATOM 0 H LEU A 24 -10.526 -12.925 -0.611 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.172 -12.587 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.472 -15.119 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.736 -15.246 -0.147 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.539 -14.716 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.785 -13.028 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.230 -14.295 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.698 -12.696 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.148 -12.385 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.160 -12.015 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.338 -13.166 1.613 1.00 0.00 H new ATOM 385 N PRO A 25 -8.077 -15.174 -2.980 1.00 0.00 N ATOM 386 CA PRO A 25 -7.342 -15.636 -4.155 1.00 0.00 C ATOM 387 C PRO A 25 -6.835 -14.508 -5.058 1.00 0.00 C ATOM 388 O PRO A 25 -5.793 -14.636 -5.700 1.00 0.00 O ATOM 389 CB PRO A 25 -8.373 -16.472 -4.883 1.00 0.00 C ATOM 390 CG PRO A 25 -9.137 -17.118 -3.788 1.00 0.00 C ATOM 391 CD PRO A 25 -9.160 -16.120 -2.656 1.00 0.00 C ATOM 0 HA PRO A 25 -6.434 -16.169 -3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.017 -15.856 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.904 -17.210 -5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.148 -17.366 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.664 -18.050 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.123 -15.614 -2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.990 -16.605 -1.695 1.00 0.00 H new ATOM 399 N ASP A 26 -7.583 -13.411 -5.091 1.00 0.00 N ATOM 400 CA ASP A 26 -7.238 -12.252 -5.906 1.00 0.00 C ATOM 401 C ASP A 26 -7.130 -10.984 -5.068 1.00 0.00 C ATOM 402 O ASP A 26 -6.524 -9.994 -5.479 1.00 0.00 O ATOM 403 CB ASP A 26 -8.327 -12.048 -6.934 1.00 0.00 C ATOM 404 CG ASP A 26 -7.846 -12.231 -8.360 1.00 0.00 C ATOM 405 OD1 ASP A 26 -7.786 -13.388 -8.829 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.529 -11.221 -9.023 1.00 0.00 O ATOM 0 H ASP A 26 -8.444 -13.300 -4.555 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.271 -12.440 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.138 -12.750 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.739 -11.045 -6.823 1.00 0.00 H new ATOM 411 N TYR A 27 -7.747 -11.043 -3.893 1.00 0.00 N ATOM 412 CA TYR A 27 -7.922 -9.885 -3.009 1.00 0.00 C ATOM 413 C TYR A 27 -8.862 -8.882 -3.639 1.00 0.00 C ATOM 414 O TYR A 27 -8.613 -7.680 -3.662 1.00 0.00 O ATOM 415 CB TYR A 27 -6.607 -9.218 -2.637 1.00 0.00 C ATOM 416 CG TYR A 27 -5.852 -9.954 -1.567 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.199 -9.802 -0.235 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.795 -10.787 -1.881 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.508 -10.457 0.757 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.096 -11.452 -0.893 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.457 -11.279 0.427 1.00 0.00 C ATOM 422 OH TYR A 27 -3.760 -11.925 1.417 1.00 0.00 O ATOM 0 H TYR A 27 -8.146 -11.904 -3.519 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.356 -10.259 -2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.982 -9.141 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.806 -8.201 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.025 -9.159 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.511 -10.920 -2.915 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.790 -10.326 1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.273 -12.102 -1.152 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.049 -12.468 1.016 1.00 0.00 H new ATOM 432 N ILE A 28 -9.938 -9.418 -4.152 1.00 0.00 N ATOM 433 CA ILE A 28 -11.039 -8.638 -4.684 1.00 0.00 C ATOM 434 C ILE A 28 -12.073 -8.407 -3.600 1.00 0.00 C ATOM 435 O ILE A 28 -12.135 -9.138 -2.614 1.00 0.00 O ATOM 436 CB ILE A 28 -11.699 -9.373 -5.873 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.349 -10.849 -5.768 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.204 -8.789 -7.186 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.097 -11.756 -6.701 1.00 0.00 C ATOM 0 H ILE A 28 -10.082 -10.426 -4.216 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.650 -7.681 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.782 -9.251 -5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.281 -10.966 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.533 -11.177 -4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.675 -9.313 -8.018 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.460 -7.731 -7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.122 -8.904 -7.250 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.773 -12.785 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.166 -11.678 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.895 -11.464 -7.732 1.00 0.00 H new ATOM 451 N CYS A 29 -12.892 -7.415 -3.816 1.00 0.00 N ATOM 452 CA CYS A 29 -13.979 -7.091 -2.922 1.00 0.00 C ATOM 453 C CYS A 29 -15.221 -7.760 -3.484 1.00 0.00 C ATOM 454 O CYS A 29 -15.377 -7.858 -4.689 1.00 0.00 O ATOM 455 CB CYS A 29 -14.111 -5.563 -2.879 1.00 0.00 C ATOM 456 SG CYS A 29 -15.738 -4.899 -2.448 1.00 0.00 S ATOM 0 H CYS A 29 -12.826 -6.799 -4.626 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.819 -7.442 -1.903 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.386 -5.179 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.831 -5.170 -3.856 1.00 0.00 H new ATOM 461 N PRO A 30 -16.111 -8.239 -2.628 1.00 0.00 N ATOM 462 CA PRO A 30 -17.249 -9.043 -3.046 1.00 0.00 C ATOM 463 C PRO A 30 -18.302 -8.118 -3.573 1.00 0.00 C ATOM 464 O PRO A 30 -19.190 -8.487 -4.335 1.00 0.00 O ATOM 465 CB PRO A 30 -17.699 -9.687 -1.737 1.00 0.00 C ATOM 466 CG PRO A 30 -17.380 -8.655 -0.706 1.00 0.00 C ATOM 467 CD PRO A 30 -16.145 -7.947 -1.201 1.00 0.00 C ATOM 0 HA PRO A 30 -17.037 -9.777 -3.823 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.763 -9.922 -1.752 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.169 -10.620 -1.547 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.208 -7.957 -0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -17.204 -9.115 0.266 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.200 -6.874 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.249 -8.312 -0.699 1.00 0.00 H new ATOM 475 N ARG A 31 -18.161 -6.889 -3.130 1.00 0.00 N ATOM 476 CA ARG A 31 -19.095 -5.851 -3.473 1.00 0.00 C ATOM 477 C ARG A 31 -18.866 -5.259 -4.857 1.00 0.00 C ATOM 478 O ARG A 31 -19.821 -4.958 -5.565 1.00 0.00 O ATOM 479 CB ARG A 31 -19.082 -4.811 -2.421 1.00 0.00 C ATOM 480 CG ARG A 31 -19.636 -5.391 -1.162 1.00 0.00 C ATOM 481 CD ARG A 31 -19.718 -4.383 -0.039 1.00 0.00 C ATOM 482 NE ARG A 31 -20.285 -4.972 1.170 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.584 -4.959 1.461 1.00 0.00 C ATOM 484 NH1 ARG A 31 -22.455 -4.408 0.622 1.00 0.00 N ATOM 485 NH2 ARG A 31 -22.014 -5.509 2.587 1.00 0.00 N ATOM 0 H ARG A 31 -17.398 -6.586 -2.525 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.085 -6.304 -3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.065 -4.454 -2.256 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.675 -3.951 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.631 -5.791 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.012 -6.228 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.722 -3.996 0.177 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.328 -3.536 -0.353 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.649 -5.420 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.129 -3.992 -0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -23.449 -4.401 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -21.350 -5.941 3.229 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -23.009 -5.500 2.812 1.00 0.00 H new ATOM 499 N CYS A 32 -17.603 -5.103 -5.256 1.00 0.00 N ATOM 500 CA CYS A 32 -17.312 -4.488 -6.547 1.00 0.00 C ATOM 501 C CYS A 32 -16.265 -5.268 -7.343 1.00 0.00 C ATOM 502 O CYS A 32 -16.016 -4.957 -8.508 1.00 0.00 O ATOM 503 CB CYS A 32 -16.865 -3.028 -6.373 1.00 0.00 C ATOM 504 SG CYS A 32 -15.316 -2.807 -5.462 1.00 0.00 S ATOM 0 H CYS A 32 -16.785 -5.387 -4.717 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.240 -4.510 -7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.757 -2.577 -7.359 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.654 -2.481 -5.857 1.00 0.00 H new ATOM 509 N GLU A 33 -15.666 -6.290 -6.717 1.00 0.00 N ATOM 510 CA GLU A 33 -14.645 -7.118 -7.364 1.00 0.00 C ATOM 511 C GLU A 33 -13.445 -6.285 -7.814 1.00 0.00 C ATOM 512 O GLU A 33 -12.786 -6.591 -8.806 1.00 0.00 O ATOM 513 CB GLU A 33 -15.239 -7.893 -8.531 1.00 0.00 C ATOM 514 CG GLU A 33 -14.438 -9.126 -8.885 1.00 0.00 C ATOM 515 CD GLU A 33 -14.914 -9.779 -10.161 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.488 -9.353 -11.256 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.725 -10.724 -10.080 1.00 0.00 O ATOM 0 H GLU A 33 -15.875 -6.563 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.285 -7.834 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.259 -8.187 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.297 -7.241 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.387 -8.855 -8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.502 -9.844 -8.067 1.00 0.00 H new ATOM 524 N SER A 34 -13.171 -5.224 -7.079 1.00 0.00 N ATOM 525 CA SER A 34 -11.943 -4.480 -7.252 1.00 0.00 C ATOM 526 C SER A 34 -11.060 -4.669 -6.030 1.00 0.00 C ATOM 527 O SER A 34 -11.566 -4.768 -4.908 1.00 0.00 O ATOM 528 CB SER A 34 -12.235 -3.024 -7.475 1.00 0.00 C ATOM 529 OG SER A 34 -13.178 -2.838 -8.517 1.00 0.00 O ATOM 0 H SER A 34 -13.787 -4.858 -6.353 1.00 0.00 H new ATOM 0 HA SER A 34 -11.419 -4.855 -8.131 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.617 -2.583 -6.554 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.311 -2.500 -7.721 1.00 0.00 H new ATOM 0 HG SER A 34 -13.348 -1.880 -8.637 1.00 0.00 H new ATOM 535 N GLY A 35 -9.752 -4.729 -6.241 1.00 0.00 N ATOM 536 CA GLY A 35 -8.827 -4.984 -5.150 1.00 0.00 C ATOM 537 C GLY A 35 -8.512 -3.746 -4.336 1.00 0.00 C ATOM 538 O GLY A 35 -7.368 -3.525 -3.939 1.00 0.00 O ATOM 0 H GLY A 35 -9.312 -4.605 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.249 -5.745 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.900 -5.391 -5.555 1.00 0.00 H new ATOM 542 N PHE A 36 -9.526 -2.941 -4.073 1.00 0.00 N ATOM 543 CA PHE A 36 -9.359 -1.740 -3.277 1.00 0.00 C ATOM 544 C PHE A 36 -9.729 -2.022 -1.829 1.00 0.00 C ATOM 545 O PHE A 36 -10.454 -1.253 -1.196 1.00 0.00 O ATOM 546 CB PHE A 36 -10.205 -0.598 -3.838 1.00 0.00 C ATOM 547 CG PHE A 36 -9.666 -0.040 -5.123 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.498 0.705 -5.127 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.321 -0.257 -6.323 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.992 1.222 -6.302 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.821 0.258 -7.503 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.655 0.998 -7.492 1.00 0.00 C ATOM 0 H PHE A 36 -10.479 -3.099 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.313 -1.435 -3.318 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.222 -0.954 -4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.263 0.201 -3.098 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.977 0.883 -4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.233 -0.835 -6.337 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.080 1.800 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.341 0.082 -8.433 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.262 1.401 -8.414 1.00 0.00 H new ATOM 562 N ILE A 37 -9.226 -3.138 -1.324 1.00 0.00 N ATOM 563 CA ILE A 37 -9.511 -3.574 0.030 1.00 0.00 C ATOM 564 C ILE A 37 -8.278 -3.536 0.903 1.00 0.00 C ATOM 565 O ILE A 37 -7.210 -3.994 0.502 1.00 0.00 O ATOM 566 CB ILE A 37 -10.046 -5.001 0.070 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.233 -5.960 -0.790 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.468 -5.013 -0.364 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.891 -7.315 -0.916 1.00 0.00 C ATOM 0 H ILE A 37 -8.610 -3.764 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.263 -2.880 0.405 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.962 -5.349 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.099 -5.530 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.240 -6.080 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.849 -6.034 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.058 -4.386 0.305 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.541 -4.627 -1.381 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.274 -7.963 -1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.001 -7.759 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.874 -7.201 -1.374 1.00 0.00 H new ATOM 581 N GLU A 38 -8.429 -3.008 2.094 1.00 0.00 N ATOM 582 CA GLU A 38 -7.386 -3.085 3.092 1.00 0.00 C ATOM 583 C GLU A 38 -7.933 -3.842 4.291 1.00 0.00 C ATOM 584 O GLU A 38 -9.116 -3.726 4.614 1.00 0.00 O ATOM 585 CB GLU A 38 -6.905 -1.676 3.461 1.00 0.00 C ATOM 586 CG GLU A 38 -7.968 -0.801 4.106 1.00 0.00 C ATOM 587 CD GLU A 38 -8.011 0.594 3.513 1.00 0.00 C ATOM 588 OE1 GLU A 38 -7.176 1.433 3.899 1.00 0.00 O ATOM 589 OE2 GLU A 38 -8.883 0.858 2.661 1.00 0.00 O ATOM 0 H GLU A 38 -9.270 -2.517 2.398 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.518 -3.621 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.058 -1.761 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.541 -1.181 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.943 -1.273 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.776 -0.731 5.177 1.00 0.00 H new ATOM 596 N GLU A 39 -7.103 -4.669 4.903 1.00 0.00 N ATOM 597 CA GLU A 39 -7.548 -5.483 6.021 1.00 0.00 C ATOM 598 C GLU A 39 -7.573 -4.651 7.295 1.00 0.00 C ATOM 599 O GLU A 39 -6.649 -3.878 7.563 1.00 0.00 O ATOM 600 CB GLU A 39 -6.637 -6.692 6.204 1.00 0.00 C ATOM 601 CG GLU A 39 -6.993 -7.531 7.401 1.00 0.00 C ATOM 602 CD GLU A 39 -5.862 -8.420 7.849 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.977 -7.933 8.587 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.838 -9.604 7.461 1.00 0.00 O ATOM 0 H GLU A 39 -6.124 -4.794 4.647 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.556 -5.840 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.683 -7.312 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.607 -6.350 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.283 -6.877 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.860 -8.147 7.162 1.00 0.00 H new ATOM 611 N LEU A 40 -8.626 -4.824 8.071 1.00 0.00 N ATOM 612 CA LEU A 40 -8.848 -4.031 9.266 1.00 0.00 C ATOM 613 C LEU A 40 -8.131 -4.653 10.459 1.00 0.00 C ATOM 614 O LEU A 40 -7.043 -4.160 10.831 1.00 0.00 O ATOM 615 CB LEU A 40 -10.353 -3.929 9.541 1.00 0.00 C ATOM 616 CG LEU A 40 -11.137 -2.890 8.716 1.00 0.00 C ATOM 617 CD1 LEU A 40 -10.498 -2.632 7.358 1.00 0.00 C ATOM 618 CD2 LEU A 40 -12.562 -3.369 8.516 1.00 0.00 C ATOM 619 OXT LEU A 40 -8.649 -5.641 11.016 1.00 0.00 O ATOM 0 H LEU A 40 -9.352 -5.518 7.891 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.444 -3.031 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.798 -4.909 9.367 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.491 -3.700 10.598 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.124 -1.953 9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.086 -1.893 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.484 -2.257 7.498 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.466 -3.561 6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.115 -2.633 7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.555 -4.321 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.042 -3.498 9.486 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 33.144 8.028 12.490 1.00 0.00 N ATOM 633 CA MET C 2 33.381 8.802 11.252 1.00 0.00 C ATOM 634 C MET C 2 32.667 8.150 10.076 1.00 0.00 C ATOM 635 O MET C 2 33.202 7.243 9.433 1.00 0.00 O ATOM 636 CB MET C 2 34.882 8.906 10.961 1.00 0.00 C ATOM 637 CG MET C 2 35.207 9.741 9.733 1.00 0.00 C ATOM 638 SD MET C 2 34.628 11.442 9.881 1.00 0.00 S ATOM 639 CE MET C 2 35.102 12.095 8.283 1.00 0.00 C ATOM 0 HA MET C 2 32.983 9.807 11.395 1.00 0.00 H new ATOM 0 HB2 MET C 2 35.382 9.339 11.827 1.00 0.00 H new ATOM 0 HB3 MET C 2 35.288 7.903 10.826 1.00 0.00 H new ATOM 0 HG2 MET C 2 36.285 9.740 9.572 1.00 0.00 H new ATOM 0 HG3 MET C 2 34.753 9.281 8.855 1.00 0.00 H new ATOM 0 HE1 MET C 2 34.811 13.143 8.218 1.00 0.00 H new ATOM 0 HE2 MET C 2 36.182 12.010 8.161 1.00 0.00 H new ATOM 0 HE3 MET C 2 34.602 11.530 7.496 1.00 0.00 H new ATOM 651 N ALA C 3 31.451 8.606 9.808 1.00 0.00 N ATOM 652 CA ALA C 3 30.655 8.081 8.710 1.00 0.00 C ATOM 653 C ALA C 3 29.565 9.069 8.315 1.00 0.00 C ATOM 654 O ALA C 3 28.737 9.449 9.142 1.00 0.00 O ATOM 655 CB ALA C 3 30.036 6.745 9.096 1.00 0.00 C ATOM 0 H ALA C 3 30.992 9.344 10.342 1.00 0.00 H new ATOM 0 HA ALA C 3 31.312 7.930 7.854 1.00 0.00 H new ATOM 0 HB1 ALA C 3 29.443 6.365 8.264 1.00 0.00 H new ATOM 0 HB2 ALA C 3 30.826 6.033 9.334 1.00 0.00 H new ATOM 0 HB3 ALA C 3 29.395 6.879 9.967 1.00 0.00 H new ATOM 661 N HIS C 4 29.570 9.489 7.058 1.00 0.00 N ATOM 662 CA HIS C 4 28.536 10.393 6.557 1.00 0.00 C ATOM 663 C HIS C 4 27.259 9.616 6.223 1.00 0.00 C ATOM 664 O HIS C 4 26.946 9.368 5.058 1.00 0.00 O ATOM 665 CB HIS C 4 29.039 11.210 5.346 1.00 0.00 C ATOM 666 CG HIS C 4 29.376 10.419 4.107 1.00 0.00 C ATOM 667 ND1 HIS C 4 29.885 9.173 3.946 1.00 0.00 N flip ATOM 668 CD2 HIS C 4 29.206 10.922 2.835 1.00 0.00 C flip ATOM 669 CE1 HIS C 4 30.009 8.954 2.598 1.00 0.00 C flip ATOM 670 NE2 HIS C 4 29.592 10.022 1.952 1.00 0.00 N flip ATOM 0 H HIS C 4 30.272 9.222 6.368 1.00 0.00 H new ATOM 0 HA HIS C 4 28.298 11.107 7.346 1.00 0.00 H new ATOM 0 HB2 HIS C 4 28.277 11.945 5.087 1.00 0.00 H new ATOM 0 HB3 HIS C 4 29.926 11.765 5.651 1.00 0.00 H new ATOM 0 HD2 HIS C 4 28.817 11.901 2.598 1.00 0.00 H new ATOM 0 HE1 HIS C 4 30.387 8.052 2.141 1.00 0.00 H new ATOM 0 HE2 HIS C 4 29.571 10.135 0.938 1.00 0.00 H new ATOM 679 N HIS C 5 26.538 9.227 7.271 1.00 0.00 N ATOM 680 CA HIS C 5 25.321 8.425 7.140 1.00 0.00 C ATOM 681 C HIS C 5 25.610 7.149 6.344 1.00 0.00 C ATOM 682 O HIS C 5 24.893 6.805 5.406 1.00 0.00 O ATOM 683 CB HIS C 5 24.205 9.246 6.477 1.00 0.00 C ATOM 684 CG HIS C 5 22.824 8.712 6.725 1.00 0.00 C ATOM 685 ND1 HIS C 5 22.067 9.076 7.816 1.00 0.00 N ATOM 686 CD2 HIS C 5 22.062 7.846 6.016 1.00 0.00 C ATOM 687 CE1 HIS C 5 20.902 8.458 7.769 1.00 0.00 C ATOM 688 NE2 HIS C 5 20.873 7.706 6.686 1.00 0.00 N ATOM 0 H HIS C 5 26.779 9.458 8.235 1.00 0.00 H new ATOM 0 HA HIS C 5 24.982 8.137 8.135 1.00 0.00 H new ATOM 0 HB2 HIS C 5 24.257 10.272 6.841 1.00 0.00 H new ATOM 0 HB3 HIS C 5 24.383 9.280 5.402 1.00 0.00 H new ATOM 0 HD2 HIS C 5 22.339 7.356 5.094 1.00 0.00 H new ATOM 0 HE1 HIS C 5 20.107 8.552 8.494 1.00 0.00 H new ATOM 0 HE2 HIS C 5 20.094 7.116 6.394 1.00 0.00 H new ATOM 697 N HIS C 6 26.670 6.450 6.733 1.00 0.00 N ATOM 698 CA HIS C 6 27.121 5.271 5.999 1.00 0.00 C ATOM 699 C HIS C 6 26.846 4.003 6.806 1.00 0.00 C ATOM 700 O HIS C 6 27.387 2.940 6.522 1.00 0.00 O ATOM 701 CB HIS C 6 28.618 5.396 5.673 1.00 0.00 C ATOM 702 CG HIS C 6 29.116 4.434 4.628 1.00 0.00 C ATOM 703 ND1 HIS C 6 28.804 4.544 3.290 1.00 0.00 N ATOM 704 CD2 HIS C 6 29.929 3.355 4.731 1.00 0.00 C ATOM 705 CE1 HIS C 6 29.401 3.576 2.619 1.00 0.00 C ATOM 706 NE2 HIS C 6 30.091 2.841 3.469 1.00 0.00 N ATOM 0 H HIS C 6 27.234 6.678 7.552 1.00 0.00 H new ATOM 0 HA HIS C 6 26.567 5.204 5.063 1.00 0.00 H new ATOM 0 HB2 HIS C 6 28.819 6.413 5.336 1.00 0.00 H new ATOM 0 HB3 HIS C 6 29.189 5.244 6.589 1.00 0.00 H new ATOM 0 HD2 HIS C 6 30.369 2.970 5.639 1.00 0.00 H new ATOM 0 HE1 HIS C 6 29.335 3.414 1.553 1.00 0.00 H new ATOM 0 HE2 HIS C 6 30.653 2.025 3.228 1.00 0.00 H new ATOM 715 N HIS C 7 26.004 4.123 7.821 1.00 0.00 N ATOM 716 CA HIS C 7 25.612 2.967 8.618 1.00 0.00 C ATOM 717 C HIS C 7 24.285 2.404 8.130 1.00 0.00 C ATOM 718 O HIS C 7 23.239 3.041 8.259 1.00 0.00 O ATOM 719 CB HIS C 7 25.525 3.326 10.103 1.00 0.00 C ATOM 720 CG HIS C 7 26.844 3.278 10.809 1.00 0.00 C ATOM 721 ND1 HIS C 7 27.567 4.402 11.145 1.00 0.00 N ATOM 722 CD2 HIS C 7 27.571 2.224 11.250 1.00 0.00 C ATOM 723 CE1 HIS C 7 28.681 4.040 11.756 1.00 0.00 C ATOM 724 NE2 HIS C 7 28.706 2.725 11.832 1.00 0.00 N ATOM 0 H HIS C 7 25.580 5.004 8.113 1.00 0.00 H new ATOM 0 HA HIS C 7 26.379 2.202 8.498 1.00 0.00 H new ATOM 0 HB2 HIS C 7 25.105 4.327 10.202 1.00 0.00 H new ATOM 0 HB3 HIS C 7 24.834 2.641 10.594 1.00 0.00 H new ATOM 0 HD2 HIS C 7 27.305 1.181 11.160 1.00 0.00 H new ATOM 0 HE1 HIS C 7 29.442 4.709 12.130 1.00 0.00 H new ATOM 0 HE2 HIS C 7 29.450 2.170 12.255 1.00 0.00 H new ATOM 733 N HIS C 8 24.348 1.218 7.542 1.00 0.00 N ATOM 734 CA HIS C 8 23.169 0.527 7.029 1.00 0.00 C ATOM 735 C HIS C 8 23.356 -0.971 7.222 1.00 0.00 C ATOM 736 O HIS C 8 24.327 -1.401 7.840 1.00 0.00 O ATOM 737 CB HIS C 8 22.968 0.782 5.526 1.00 0.00 C ATOM 738 CG HIS C 8 23.069 2.211 5.096 1.00 0.00 C ATOM 739 ND1 HIS C 8 24.235 2.765 4.615 1.00 0.00 N ATOM 740 CD2 HIS C 8 22.138 3.187 5.039 1.00 0.00 C ATOM 741 CE1 HIS C 8 24.015 4.021 4.285 1.00 0.00 C ATOM 742 NE2 HIS C 8 22.749 4.307 4.528 1.00 0.00 N ATOM 0 H HIS C 8 25.219 0.705 7.406 1.00 0.00 H new ATOM 0 HA HIS C 8 22.301 0.902 7.571 1.00 0.00 H new ATOM 0 HB2 HIS C 8 23.708 0.202 4.975 1.00 0.00 H new ATOM 0 HB3 HIS C 8 21.987 0.403 5.239 1.00 0.00 H new ATOM 0 HD1 HIS C 8 25.128 2.279 4.528 1.00 0.00 H new ATOM 0 HD2 HIS C 8 21.104 3.103 5.339 1.00 0.00 H new ATOM 0 HE1 HIS C 8 24.749 4.704 3.882 1.00 0.00 H new ATOM 751 N HIS C 9 22.446 -1.766 6.684 1.00 0.00 N ATOM 752 CA HIS C 9 22.685 -3.197 6.579 1.00 0.00 C ATOM 753 C HIS C 9 23.512 -3.453 5.329 1.00 0.00 C ATOM 754 O HIS C 9 24.526 -4.151 5.365 1.00 0.00 O ATOM 755 CB HIS C 9 21.372 -3.985 6.541 1.00 0.00 C ATOM 756 CG HIS C 9 20.763 -4.194 7.896 1.00 0.00 C ATOM 757 ND1 HIS C 9 19.936 -5.255 8.198 1.00 0.00 N ATOM 758 CD2 HIS C 9 20.877 -3.474 9.036 1.00 0.00 C ATOM 759 CE1 HIS C 9 19.569 -5.175 9.464 1.00 0.00 C ATOM 760 NE2 HIS C 9 20.126 -4.104 9.995 1.00 0.00 N ATOM 0 H HIS C 9 21.547 -1.452 6.318 1.00 0.00 H new ATOM 0 HA HIS C 9 23.228 -3.539 7.460 1.00 0.00 H new ATOM 0 HB2 HIS C 9 20.659 -3.458 5.908 1.00 0.00 H new ATOM 0 HB3 HIS C 9 21.552 -4.955 6.078 1.00 0.00 H new ATOM 0 HD2 HIS C 9 21.453 -2.570 9.167 1.00 0.00 H new ATOM 0 HE1 HIS C 9 18.922 -5.870 9.978 1.00 0.00 H new ATOM 0 HE2 HIS C 9 20.016 -3.795 10.961 1.00 0.00 H new ATOM 769 N VAL C 10 23.084 -2.847 4.230 1.00 0.00 N ATOM 770 CA VAL C 10 23.857 -2.850 3.000 1.00 0.00 C ATOM 771 C VAL C 10 24.074 -1.416 2.534 1.00 0.00 C ATOM 772 O VAL C 10 23.195 -0.563 2.677 1.00 0.00 O ATOM 773 CB VAL C 10 23.177 -3.661 1.874 1.00 0.00 C ATOM 774 CG1 VAL C 10 22.966 -5.102 2.301 1.00 0.00 C ATOM 775 CG2 VAL C 10 21.859 -3.023 1.457 1.00 0.00 C ATOM 0 H VAL C 10 22.199 -2.344 4.168 1.00 0.00 H new ATOM 0 HA VAL C 10 24.811 -3.331 3.216 1.00 0.00 H new ATOM 0 HB VAL C 10 23.840 -3.654 1.009 1.00 0.00 H new ATOM 0 HG11 VAL C 10 22.486 -5.654 1.493 1.00 0.00 H new ATOM 0 HG12 VAL C 10 23.929 -5.558 2.530 1.00 0.00 H new ATOM 0 HG13 VAL C 10 22.331 -5.130 3.187 1.00 0.00 H new ATOM 0 HG21 VAL C 10 21.403 -3.615 0.663 1.00 0.00 H new ATOM 0 HG22 VAL C 10 21.186 -2.985 2.314 1.00 0.00 H new ATOM 0 HG23 VAL C 10 22.043 -2.011 1.095 1.00 0.00 H new ATOM 785 N ASP C 11 25.247 -1.146 1.999 1.00 0.00 N ATOM 786 CA ASP C 11 25.582 0.196 1.551 1.00 0.00 C ATOM 787 C ASP C 11 25.531 0.266 0.037 1.00 0.00 C ATOM 788 O ASP C 11 25.351 1.340 -0.545 1.00 0.00 O ATOM 789 CB ASP C 11 26.968 0.609 2.051 1.00 0.00 C ATOM 790 CG ASP C 11 27.088 0.518 3.558 1.00 0.00 C ATOM 791 OD1 ASP C 11 26.444 1.324 4.262 1.00 0.00 O ATOM 792 OD2 ASP C 11 27.817 -0.373 4.046 1.00 0.00 O ATOM 0 H ASP C 11 25.986 -1.836 1.863 1.00 0.00 H new ATOM 0 HA ASP C 11 24.850 0.889 1.966 1.00 0.00 H new ATOM 0 HB2 ASP C 11 27.723 -0.028 1.590 1.00 0.00 H new ATOM 0 HB3 ASP C 11 27.176 1.631 1.734 1.00 0.00 H new ATOM 797 N ASP C 12 25.676 -0.888 -0.596 1.00 0.00 N ATOM 798 CA ASP C 12 25.619 -0.978 -2.047 1.00 0.00 C ATOM 799 C ASP C 12 24.168 -1.063 -2.498 1.00 0.00 C ATOM 800 O ASP C 12 23.662 -2.142 -2.811 1.00 0.00 O ATOM 801 CB ASP C 12 26.391 -2.203 -2.550 1.00 0.00 C ATOM 802 CG ASP C 12 27.814 -2.262 -2.033 1.00 0.00 C ATOM 803 OD1 ASP C 12 28.713 -1.672 -2.670 1.00 0.00 O ATOM 804 OD2 ASP C 12 28.043 -2.907 -0.989 1.00 0.00 O ATOM 0 H ASP C 12 25.835 -1.779 -0.125 1.00 0.00 H new ATOM 0 HA ASP C 12 26.081 -0.085 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP C 12 25.863 -3.107 -2.247 1.00 0.00 H new ATOM 0 HB3 ASP C 12 26.407 -2.193 -3.640 1.00 0.00 H new ATOM 809 N ASP C 13 23.492 0.076 -2.509 1.00 0.00 N ATOM 810 CA ASP C 13 22.088 0.121 -2.890 1.00 0.00 C ATOM 811 C ASP C 13 21.944 0.137 -4.407 1.00 0.00 C ATOM 812 O ASP C 13 21.674 1.170 -5.020 1.00 0.00 O ATOM 813 CB ASP C 13 21.393 1.335 -2.267 1.00 0.00 C ATOM 814 CG ASP C 13 19.918 1.408 -2.617 1.00 0.00 C ATOM 815 OD1 ASP C 13 19.239 0.360 -2.587 1.00 0.00 O ATOM 816 OD2 ASP C 13 19.434 2.518 -2.931 1.00 0.00 O ATOM 0 H ASP C 13 23.892 0.980 -2.259 1.00 0.00 H new ATOM 0 HA ASP C 13 21.603 -0.778 -2.509 1.00 0.00 H new ATOM 0 HB2 ASP C 13 21.504 1.296 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP C 13 21.888 2.245 -2.605 1.00 0.00 H new ATOM 821 N ASP C 14 22.176 -1.019 -5.008 1.00 0.00 N ATOM 822 CA ASP C 14 21.970 -1.211 -6.433 1.00 0.00 C ATOM 823 C ASP C 14 20.591 -1.801 -6.678 1.00 0.00 C ATOM 824 O ASP C 14 20.179 -2.019 -7.821 1.00 0.00 O ATOM 825 CB ASP C 14 23.040 -2.147 -6.982 1.00 0.00 C ATOM 826 CG ASP C 14 24.354 -1.445 -7.252 1.00 0.00 C ATOM 827 OD1 ASP C 14 25.139 -1.243 -6.299 1.00 0.00 O ATOM 828 OD2 ASP C 14 24.619 -1.111 -8.425 1.00 0.00 O ATOM 0 H ASP C 14 22.512 -1.850 -4.521 1.00 0.00 H new ATOM 0 HA ASP C 14 22.040 -0.249 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP C 14 23.206 -2.957 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP C 14 22.680 -2.601 -7.905 1.00 0.00 H new ATOM 833 N LYS C 15 19.893 -2.070 -5.585 1.00 0.00 N ATOM 834 CA LYS C 15 18.567 -2.648 -5.631 1.00 0.00 C ATOM 835 C LYS C 15 17.562 -1.670 -6.216 1.00 0.00 C ATOM 836 O LYS C 15 17.729 -0.454 -6.095 1.00 0.00 O ATOM 837 CB LYS C 15 18.146 -3.044 -4.228 1.00 0.00 C ATOM 838 CG LYS C 15 19.164 -3.944 -3.579 1.00 0.00 C ATOM 839 CD LYS C 15 18.898 -4.141 -2.098 1.00 0.00 C ATOM 840 CE LYS C 15 19.971 -5.004 -1.450 1.00 0.00 C ATOM 841 NZ LYS C 15 20.094 -6.332 -2.108 1.00 0.00 N ATOM 0 H LYS C 15 20.235 -1.892 -4.641 1.00 0.00 H new ATOM 0 HA LYS C 15 18.592 -3.528 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS C 15 18.011 -2.149 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS C 15 17.182 -3.551 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS C 15 19.160 -4.913 -4.079 1.00 0.00 H new ATOM 0 HG3 LYS C 15 20.159 -3.520 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS C 15 18.860 -3.171 -1.602 1.00 0.00 H new ATOM 0 HD3 LYS C 15 17.922 -4.607 -1.961 1.00 0.00 H new ATOM 0 HE2 LYS C 15 20.929 -4.486 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS C 15 19.735 -5.143 -0.395 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 20.667 -6.963 -1.512 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 19.148 -6.744 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 20.553 -6.219 -3.034 1.00 0.00 H new ATOM 855 N MET C 16 16.528 -2.198 -6.854 1.00 0.00 N ATOM 856 CA MET C 16 15.459 -1.366 -7.381 1.00 0.00 C ATOM 857 C MET C 16 14.219 -2.189 -7.696 1.00 0.00 C ATOM 858 O MET C 16 14.272 -3.158 -8.457 1.00 0.00 O ATOM 859 CB MET C 16 15.915 -0.587 -8.625 1.00 0.00 C ATOM 860 CG MET C 16 16.332 -1.455 -9.800 1.00 0.00 C ATOM 861 SD MET C 16 16.825 -0.477 -11.233 1.00 0.00 S ATOM 862 CE MET C 16 17.148 -1.771 -12.426 1.00 0.00 C ATOM 0 H MET C 16 16.407 -3.197 -7.019 1.00 0.00 H new ATOM 0 HA MET C 16 15.201 -0.646 -6.605 1.00 0.00 H new ATOM 0 HB2 MET C 16 15.104 0.068 -8.944 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.752 0.054 -8.349 1.00 0.00 H new ATOM 0 HG2 MET C 16 17.160 -2.097 -9.499 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.505 -2.110 -10.077 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.464 -1.326 -13.369 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.936 -2.424 -12.051 1.00 0.00 H new ATOM 0 HE3 MET C 16 16.240 -2.353 -12.586 1.00 0.00 H new ATOM 872 N LEU C 17 13.108 -1.816 -7.078 1.00 0.00 N ATOM 873 CA LEU C 17 11.821 -2.377 -7.429 1.00 0.00 C ATOM 874 C LEU C 17 11.045 -1.354 -8.220 1.00 0.00 C ATOM 875 O LEU C 17 10.966 -0.185 -7.830 1.00 0.00 O ATOM 876 CB LEU C 17 11.025 -2.747 -6.210 1.00 0.00 C ATOM 877 CG LEU C 17 11.814 -3.264 -5.017 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.002 -3.074 -3.755 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.170 -4.728 -5.200 1.00 0.00 C ATOM 0 H LEU C 17 13.077 -1.124 -6.329 1.00 0.00 H new ATOM 0 HA LEU C 17 11.992 -3.281 -8.013 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.460 -1.871 -5.892 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.299 -3.508 -6.495 1.00 0.00 H new ATOM 0 HG LEU C 17 12.743 -2.699 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.567 -3.444 -2.900 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.787 -2.014 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU C 17 10.066 -3.626 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.734 -5.076 -4.335 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.257 -5.315 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.775 -4.846 -6.099 1.00 0.00 H new ATOM 891 N GLU C 18 10.479 -1.774 -9.327 1.00 0.00 N ATOM 892 CA GLU C 18 9.679 -0.919 -10.121 1.00 0.00 C ATOM 893 C GLU C 18 8.308 -0.864 -9.523 1.00 0.00 C ATOM 894 O GLU C 18 7.464 -1.718 -9.775 1.00 0.00 O ATOM 895 CB GLU C 18 9.653 -1.456 -11.513 1.00 0.00 C ATOM 896 CG GLU C 18 10.956 -1.297 -12.280 1.00 0.00 C ATOM 897 CD GLU C 18 10.886 -1.907 -13.661 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.780 -3.143 -13.763 1.00 0.00 O ATOM 899 OE2 GLU C 18 10.939 -1.151 -14.657 1.00 0.00 O ATOM 0 H GLU C 18 10.570 -2.723 -9.689 1.00 0.00 H new ATOM 0 HA GLU C 18 10.081 0.094 -10.151 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.397 -2.515 -11.475 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.858 -0.955 -12.066 1.00 0.00 H new ATOM 0 HG2 GLU C 18 11.198 -0.238 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.765 -1.765 -11.719 1.00 0.00 H new ATOM 906 N VAL C 19 8.101 0.132 -8.706 1.00 0.00 N ATOM 907 CA VAL C 19 6.919 0.206 -7.924 1.00 0.00 C ATOM 908 C VAL C 19 5.801 0.746 -8.778 1.00 0.00 C ATOM 909 O VAL C 19 5.892 1.842 -9.292 1.00 0.00 O ATOM 910 CB VAL C 19 7.166 1.112 -6.720 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.849 1.610 -6.142 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.958 0.385 -5.652 1.00 0.00 C ATOM 0 H VAL C 19 8.750 0.907 -8.571 1.00 0.00 H new ATOM 0 HA VAL C 19 6.641 -0.784 -7.562 1.00 0.00 H new ATOM 0 HB VAL C 19 7.746 1.970 -7.060 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.048 2.254 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.308 2.174 -6.902 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.246 0.759 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.122 1.050 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.403 -0.493 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.920 0.074 -6.060 1.00 0.00 H new ATOM 922 N LEU C 20 4.791 -0.040 -8.996 1.00 0.00 N ATOM 923 CA LEU C 20 3.643 0.430 -9.706 1.00 0.00 C ATOM 924 C LEU C 20 2.506 0.597 -8.701 1.00 0.00 C ATOM 925 O LEU C 20 2.435 -0.147 -7.730 1.00 0.00 O ATOM 926 CB LEU C 20 3.270 -0.579 -10.793 1.00 0.00 C ATOM 927 CG LEU C 20 4.393 -1.486 -11.318 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.818 -2.539 -12.249 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.461 -0.691 -12.047 1.00 0.00 C ATOM 0 H LEU C 20 4.739 -1.012 -8.691 1.00 0.00 H new ATOM 0 HA LEU C 20 3.845 1.386 -10.189 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.474 -1.215 -10.406 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.856 -0.029 -11.638 1.00 0.00 H new ATOM 0 HG LEU C 20 4.858 -1.968 -10.458 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.621 -3.178 -12.616 1.00 0.00 H new ATOM 0 HD12 LEU C 20 3.091 -3.145 -11.708 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.328 -2.051 -13.092 1.00 0.00 H new ATOM 0 HD21 LEU C 20 6.238 -1.367 -12.404 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.014 -0.173 -12.895 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.899 0.039 -11.366 1.00 0.00 H new ATOM 941 N VAL C 21 1.658 1.597 -8.885 1.00 0.00 N ATOM 942 CA VAL C 21 0.498 1.782 -8.011 1.00 0.00 C ATOM 943 C VAL C 21 -0.729 2.131 -8.849 1.00 0.00 C ATOM 944 O VAL C 21 -0.613 2.769 -9.893 1.00 0.00 O ATOM 945 CB VAL C 21 0.715 2.893 -6.957 1.00 0.00 C ATOM 946 CG1 VAL C 21 2.070 2.754 -6.290 1.00 0.00 C ATOM 947 CG2 VAL C 21 0.515 4.271 -7.573 1.00 0.00 C ATOM 0 H VAL C 21 1.746 2.292 -9.626 1.00 0.00 H new ATOM 0 HA VAL C 21 0.351 0.842 -7.479 1.00 0.00 H new ATOM 0 HB VAL C 21 -0.037 2.778 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.196 3.548 -5.554 1.00 0.00 H new ATOM 0 HG12 VAL C 21 2.134 1.785 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.855 2.829 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL C 21 0.673 5.036 -6.813 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.228 4.414 -8.385 1.00 0.00 H new ATOM 0 HG23 VAL C 21 -0.500 4.351 -7.963 1.00 0.00 H new ATOM 957 N LYS C 22 -1.891 1.705 -8.399 1.00 0.00 N ATOM 958 CA LYS C 22 -3.139 2.061 -9.030 1.00 0.00 C ATOM 959 C LYS C 22 -4.025 2.794 -8.038 1.00 0.00 C ATOM 960 O LYS C 22 -4.305 2.287 -6.951 1.00 0.00 O ATOM 961 CB LYS C 22 -3.897 0.824 -9.517 1.00 0.00 C ATOM 962 CG LYS C 22 -3.198 0.001 -10.590 1.00 0.00 C ATOM 963 CD LYS C 22 -4.180 -0.903 -11.329 1.00 0.00 C ATOM 964 CE LYS C 22 -5.284 -0.096 -12.005 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.163 -0.936 -12.860 1.00 0.00 N ATOM 0 H LYS C 22 -1.994 1.101 -7.584 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.902 2.695 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.092 0.179 -8.660 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.865 1.143 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.710 0.668 -11.301 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.416 -0.606 -10.133 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.645 -1.488 -12.077 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.623 -1.611 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.888 0.397 -11.243 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.835 0.689 -12.613 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.785 -0.324 -13.425 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.578 -1.516 -13.495 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.742 -1.557 -12.259 1.00 0.00 H new ATOM 979 N THR C 23 -4.440 3.988 -8.399 1.00 0.00 N ATOM 980 CA THR C 23 -5.472 4.682 -7.659 1.00 0.00 C ATOM 981 C THR C 23 -6.835 4.161 -8.111 1.00 0.00 C ATOM 982 O THR C 23 -6.892 3.296 -8.990 1.00 0.00 O ATOM 983 CB THR C 23 -5.382 6.201 -7.889 1.00 0.00 C ATOM 984 OG1 THR C 23 -5.236 6.464 -9.292 1.00 0.00 O ATOM 985 CG2 THR C 23 -4.207 6.805 -7.130 1.00 0.00 C ATOM 0 H THR C 23 -4.078 4.500 -9.203 1.00 0.00 H new ATOM 0 HA THR C 23 -5.338 4.497 -6.593 1.00 0.00 H new ATOM 0 HB THR C 23 -6.298 6.659 -7.517 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.662 7.248 -9.420 1.00 0.00 H new ATOM 0 HG21 THR C 23 -4.170 7.879 -7.312 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.331 6.622 -6.063 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.279 6.347 -7.471 1.00 0.00 H new ATOM 993 N LEU C 24 -7.926 4.665 -7.552 1.00 0.00 N ATOM 994 CA LEU C 24 -9.247 4.203 -7.977 1.00 0.00 C ATOM 995 C LEU C 24 -9.515 4.632 -9.406 1.00 0.00 C ATOM 996 O LEU C 24 -10.219 3.953 -10.153 1.00 0.00 O ATOM 997 CB LEU C 24 -10.356 4.716 -7.066 1.00 0.00 C ATOM 998 CG LEU C 24 -10.413 4.065 -5.689 1.00 0.00 C ATOM 999 CD1 LEU C 24 -9.455 4.745 -4.727 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -11.833 4.090 -5.152 1.00 0.00 C ATOM 0 H LEU C 24 -7.930 5.376 -6.821 1.00 0.00 H new ATOM 0 HA LEU C 24 -9.246 3.115 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -10.232 5.791 -6.938 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -11.314 4.563 -7.563 1.00 0.00 H new ATOM 0 HG LEU C 24 -10.102 3.025 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -9.515 4.262 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -8.437 4.665 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -9.724 5.797 -4.628 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -11.858 3.622 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -12.173 5.122 -5.071 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -12.488 3.544 -5.831 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.914 5.749 -9.787 1.00 0.00 N ATOM 1013 CA ASP C 25 -9.022 6.268 -11.144 1.00 0.00 C ATOM 1014 C ASP C 25 -8.334 5.329 -12.142 1.00 0.00 C ATOM 1015 O ASP C 25 -8.411 5.526 -13.355 1.00 0.00 O ATOM 1016 CB ASP C 25 -8.410 7.673 -11.210 1.00 0.00 C ATOM 1017 CG ASP C 25 -8.606 8.346 -12.555 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -9.734 8.810 -12.837 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -7.635 8.427 -13.334 1.00 0.00 O ATOM 0 H ASP C 25 -8.339 6.320 -9.167 1.00 0.00 H new ATOM 0 HA ASP C 25 -10.076 6.328 -11.416 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -8.855 8.293 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -7.343 7.608 -10.995 1.00 0.00 H new ATOM 1024 N SER C 26 -7.665 4.296 -11.608 1.00 0.00 N ATOM 1025 CA SER C 26 -7.008 3.272 -12.424 1.00 0.00 C ATOM 1026 C SER C 26 -5.844 3.874 -13.207 1.00 0.00 C ATOM 1027 O SER C 26 -5.428 3.355 -14.244 1.00 0.00 O ATOM 1028 CB SER C 26 -8.021 2.633 -13.367 1.00 0.00 C ATOM 1029 OG SER C 26 -7.527 1.438 -13.956 1.00 0.00 O ATOM 0 H SER C 26 -7.566 4.150 -10.603 1.00 0.00 H new ATOM 0 HA SER C 26 -6.607 2.501 -11.767 1.00 0.00 H new ATOM 0 HB2 SER C 26 -8.937 2.414 -12.819 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.281 3.342 -14.152 1.00 0.00 H new ATOM 0 HG SER C 26 -6.627 1.596 -14.310 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.350 4.988 -12.696 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.188 5.679 -13.253 1.00 0.00 C ATOM 1037 C GLN C 27 -3.034 4.724 -13.544 1.00 0.00 C ATOM 1038 O GLN C 27 -2.562 4.645 -14.678 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.713 6.752 -12.280 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.577 8.000 -12.278 1.00 0.00 C ATOM 1041 CD GLN C 27 -4.157 9.000 -11.219 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -3.664 8.627 -10.154 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -4.351 10.275 -11.502 1.00 0.00 N ATOM 0 H GLN C 27 -5.744 5.447 -11.875 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.499 6.128 -14.196 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -3.692 6.334 -11.274 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.689 7.030 -12.531 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.527 8.473 -13.259 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.617 7.717 -12.113 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -4.762 10.542 -12.396 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -4.089 10.993 -10.826 1.00 0.00 H new ATOM 1052 N THR C 28 -2.606 4.005 -12.513 1.00 0.00 N ATOM 1053 CA THR C 28 -1.437 3.142 -12.587 1.00 0.00 C ATOM 1054 C THR C 28 -0.177 3.964 -12.884 1.00 0.00 C ATOM 1055 O THR C 28 0.109 4.295 -14.038 1.00 0.00 O ATOM 1056 CB THR C 28 -1.595 2.066 -13.664 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.686 1.197 -13.343 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.307 1.272 -13.811 1.00 0.00 C ATOM 0 H THR C 28 -3.062 4.005 -11.601 1.00 0.00 H new ATOM 0 HA THR C 28 -1.340 2.654 -11.617 1.00 0.00 H new ATOM 0 HB THR C 28 -1.810 2.554 -14.615 1.00 0.00 H new ATOM 0 HG1 THR C 28 -2.777 0.515 -14.041 1.00 0.00 H new ATOM 0 HG21 THR C 28 -0.435 0.511 -14.580 1.00 0.00 H new ATOM 0 HG22 THR C 28 0.504 1.943 -14.095 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.065 0.792 -12.863 1.00 0.00 H new ATOM 1066 N ARG C 29 0.569 4.308 -11.847 1.00 0.00 N ATOM 1067 CA ARG C 29 1.794 5.072 -12.030 1.00 0.00 C ATOM 1068 C ARG C 29 2.929 4.455 -11.228 1.00 0.00 C ATOM 1069 O ARG C 29 2.693 3.790 -10.219 1.00 0.00 O ATOM 1070 CB ARG C 29 1.590 6.533 -11.640 1.00 0.00 C ATOM 1071 CG ARG C 29 0.527 7.233 -12.456 1.00 0.00 C ATOM 1072 CD ARG C 29 0.354 8.693 -12.060 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.568 9.385 -12.964 1.00 0.00 N ATOM 1074 CZ ARG C 29 -1.129 10.570 -12.713 1.00 0.00 C ATOM 1075 NH1 ARG C 29 -0.889 11.202 -11.572 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.943 11.120 -13.608 1.00 0.00 N ATOM 0 H ARG C 29 0.352 4.074 -10.878 1.00 0.00 H new ATOM 0 HA ARG C 29 2.060 5.041 -13.087 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.320 6.585 -10.585 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.534 7.066 -11.754 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.788 7.175 -13.513 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.422 6.712 -12.333 1.00 0.00 H new ATOM 0 HD2 ARG C 29 -0.022 8.753 -11.039 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.323 9.193 -12.073 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.797 8.929 -13.847 1.00 0.00 H new ATOM 0 HH11 ARG C 29 -0.271 10.783 -10.877 1.00 0.00 H new ATOM 0 HH12 ARG C 29 -1.322 12.107 -11.389 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -2.138 10.637 -14.485 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -2.373 12.025 -13.418 1.00 0.00 H new ATOM 1090 N THR C 30 4.153 4.667 -11.685 1.00 0.00 N ATOM 1091 CA THR C 30 5.296 4.004 -11.157 1.00 0.00 C ATOM 1092 C THR C 30 6.093 4.859 -10.174 1.00 0.00 C ATOM 1093 O THR C 30 6.126 6.085 -10.280 1.00 0.00 O ATOM 1094 CB THR C 30 6.179 3.625 -12.323 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.323 4.736 -13.221 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.617 2.430 -13.059 1.00 0.00 C ATOM 0 H THR C 30 4.365 5.316 -12.443 1.00 0.00 H new ATOM 0 HA THR C 30 4.956 3.133 -10.596 1.00 0.00 H new ATOM 0 HB THR C 30 7.161 3.356 -11.932 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.899 4.478 -13.971 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.270 2.177 -13.894 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.552 1.581 -12.378 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.623 2.670 -13.436 1.00 0.00 H new ATOM 1104 N PHE C 31 6.758 4.180 -9.239 1.00 0.00 N ATOM 1105 CA PHE C 31 7.496 4.814 -8.157 1.00 0.00 C ATOM 1106 C PHE C 31 8.770 4.065 -7.888 1.00 0.00 C ATOM 1107 O PHE C 31 9.017 3.610 -6.773 1.00 0.00 O ATOM 1108 CB PHE C 31 6.663 4.813 -6.895 1.00 0.00 C ATOM 1109 CG PHE C 31 5.435 5.597 -7.046 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.513 6.847 -7.593 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.217 5.086 -6.674 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.380 7.603 -7.766 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.082 5.822 -6.839 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.154 7.091 -7.385 1.00 0.00 C ATOM 0 H PHE C 31 6.797 3.161 -9.215 1.00 0.00 H new ATOM 0 HA PHE C 31 7.726 5.838 -8.453 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.408 3.787 -6.630 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.252 5.217 -6.072 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.473 7.243 -7.891 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.158 4.095 -6.248 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.446 8.591 -8.197 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.126 5.415 -6.544 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.257 7.679 -7.513 1.00 0.00 H new ATOM 1124 N ILE C 32 9.554 3.915 -8.916 1.00 0.00 N ATOM 1125 CA ILE C 32 10.742 3.113 -8.832 1.00 0.00 C ATOM 1126 C ILE C 32 11.730 3.603 -7.825 1.00 0.00 C ATOM 1127 O ILE C 32 12.217 4.736 -7.847 1.00 0.00 O ATOM 1128 CB ILE C 32 11.391 2.929 -10.177 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.426 2.211 -10.994 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.592 2.053 -10.065 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.775 2.994 -12.102 1.00 0.00 C ATOM 0 H ILE C 32 9.391 4.340 -9.829 1.00 0.00 H new ATOM 0 HA ILE C 32 10.404 2.139 -8.478 1.00 0.00 H new ATOM 0 HB ILE C 32 11.683 3.896 -10.587 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.925 1.347 -11.433 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.643 1.828 -10.340 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.047 1.932 -11.048 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.312 2.508 -9.385 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.296 1.077 -9.680 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.077 2.352 -12.639 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.237 3.843 -11.680 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.539 3.355 -12.790 1.00 0.00 H new ATOM 1143 N VAL C 33 11.964 2.693 -6.931 1.00 0.00 N ATOM 1144 CA VAL C 33 12.901 2.859 -5.840 1.00 0.00 C ATOM 1145 C VAL C 33 13.716 1.616 -5.622 1.00 0.00 C ATOM 1146 O VAL C 33 13.694 0.701 -6.432 1.00 0.00 O ATOM 1147 CB VAL C 33 12.171 3.186 -4.542 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.621 4.566 -4.662 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.053 2.185 -4.287 1.00 0.00 C ATOM 0 H VAL C 33 11.500 1.785 -6.932 1.00 0.00 H new ATOM 0 HA VAL C 33 13.561 3.682 -6.115 1.00 0.00 H new ATOM 0 HB VAL C 33 12.860 3.127 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL C 33 11.092 4.828 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.437 5.270 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.931 4.611 -5.505 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.545 2.436 -3.356 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.340 2.219 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.473 1.182 -4.212 1.00 0.00 H new ATOM 1159 N GLY C 34 14.424 1.595 -4.514 1.00 0.00 N ATOM 1160 CA GLY C 34 15.183 0.420 -4.138 1.00 0.00 C ATOM 1161 C GLY C 34 14.299 -0.670 -3.570 1.00 0.00 C ATOM 1162 O GLY C 34 13.090 -0.669 -3.789 1.00 0.00 O ATOM 0 H GLY C 34 14.491 2.374 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.715 0.038 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY C 34 15.937 0.696 -3.401 1.00 0.00 H new ATOM 1166 N ALA C 35 14.887 -1.585 -2.815 1.00 0.00 N ATOM 1167 CA ALA C 35 14.136 -2.704 -2.265 1.00 0.00 C ATOM 1168 C ALA C 35 13.981 -2.580 -0.769 1.00 0.00 C ATOM 1169 O ALA C 35 13.711 -3.562 -0.078 1.00 0.00 O ATOM 1170 CB ALA C 35 14.815 -4.019 -2.590 1.00 0.00 C ATOM 0 H ALA C 35 15.877 -1.576 -2.570 1.00 0.00 H new ATOM 0 HA ALA C 35 13.147 -2.685 -2.723 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.236 -4.841 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.880 -4.137 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.818 -4.026 -2.163 1.00 0.00 H new ATOM 1176 N GLN C 36 14.076 -1.361 -0.289 1.00 0.00 N ATOM 1177 CA GLN C 36 14.311 -1.122 1.133 1.00 0.00 C ATOM 1178 C GLN C 36 14.712 0.318 1.367 1.00 0.00 C ATOM 1179 O GLN C 36 14.653 0.813 2.493 1.00 0.00 O ATOM 1180 CB GLN C 36 15.440 -2.045 1.590 1.00 0.00 C ATOM 1181 CG GLN C 36 15.628 -2.170 3.083 1.00 0.00 C ATOM 1182 CD GLN C 36 16.410 -3.421 3.398 1.00 0.00 C ATOM 1183 OE1 GLN C 36 17.221 -3.851 2.441 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 16.267 -4.011 4.465 1.00 0.00 N flip ATOM 0 H GLN C 36 13.996 -0.515 -0.854 1.00 0.00 H new ATOM 0 HA GLN C 36 13.399 -1.321 1.695 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.258 -3.039 1.182 1.00 0.00 H new ATOM 0 HB3 GLN C 36 16.373 -1.688 1.155 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.154 -1.296 3.467 1.00 0.00 H new ATOM 0 HG3 GLN C 36 14.658 -2.202 3.579 1.00 0.00 H new ATOM 0 HE21 GLN C 36 15.631 -3.641 5.171 1.00 0.00 H new ATOM 0 HE22 GLN C 36 16.784 -4.871 4.645 1.00 0.00 H new ATOM 1193 N MET C 37 15.124 0.965 0.281 1.00 0.00 N ATOM 1194 CA MET C 37 15.623 2.324 0.298 1.00 0.00 C ATOM 1195 C MET C 37 14.805 3.230 1.219 1.00 0.00 C ATOM 1196 O MET C 37 15.315 3.716 2.227 1.00 0.00 O ATOM 1197 CB MET C 37 15.613 2.835 -1.123 1.00 0.00 C ATOM 1198 CG MET C 37 16.819 3.679 -1.481 1.00 0.00 C ATOM 1199 SD MET C 37 16.702 5.373 -0.879 1.00 0.00 S ATOM 1200 CE MET C 37 15.557 6.057 -2.073 1.00 0.00 C ATOM 0 H MET C 37 15.118 0.546 -0.649 1.00 0.00 H new ATOM 0 HA MET C 37 16.637 2.333 0.699 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.562 1.985 -1.804 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.710 3.425 -1.280 1.00 0.00 H new ATOM 0 HG2 MET C 37 17.715 3.215 -1.069 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.937 3.692 -2.565 1.00 0.00 H new ATOM 0 HE1 MET C 37 15.551 7.144 -1.990 1.00 0.00 H new ATOM 0 HE2 MET C 37 15.866 5.771 -3.078 1.00 0.00 H new ATOM 0 HE3 MET C 37 14.556 5.673 -1.878 1.00 0.00 H new ATOM 1210 N ASN C 38 13.538 3.453 0.891 1.00 0.00 N ATOM 1211 CA ASN C 38 12.682 4.244 1.744 1.00 0.00 C ATOM 1212 C ASN C 38 11.361 3.590 2.028 1.00 0.00 C ATOM 1213 O ASN C 38 11.265 2.761 2.922 1.00 0.00 O ATOM 1214 CB ASN C 38 12.463 5.612 1.128 1.00 0.00 C ATOM 1215 CG ASN C 38 13.619 6.526 1.407 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.185 6.509 2.499 1.00 0.00 O ATOM 1217 ND2 ASN C 38 13.988 7.307 0.422 1.00 0.00 N ATOM 0 H ASN C 38 13.090 3.097 0.046 1.00 0.00 H new ATOM 0 HA ASN C 38 13.194 4.340 2.702 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.328 5.511 0.051 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.547 6.049 1.524 1.00 0.00 H new ATOM 0 HD21 ASN C 38 14.779 7.940 0.542 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.484 7.282 -0.465 1.00 0.00 H new ATOM 1224 N VAL C 39 10.377 3.961 1.229 1.00 0.00 N ATOM 1225 CA VAL C 39 8.963 3.765 1.514 1.00 0.00 C ATOM 1226 C VAL C 39 8.415 4.914 2.350 1.00 0.00 C ATOM 1227 O VAL C 39 7.257 5.284 2.232 1.00 0.00 O ATOM 1228 CB VAL C 39 8.598 2.420 2.144 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.514 2.574 3.614 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.269 1.966 1.605 1.00 0.00 C ATOM 0 H VAL C 39 10.543 4.422 0.334 1.00 0.00 H new ATOM 0 HA VAL C 39 8.485 3.753 0.534 1.00 0.00 H new ATOM 0 HB VAL C 39 9.360 1.679 1.902 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.254 1.617 4.066 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.477 2.908 4.000 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.749 3.311 3.860 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.004 1.007 2.051 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.505 2.704 1.851 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.333 1.857 0.522 1.00 0.00 H new ATOM 1240 N LYS C 40 9.269 5.497 3.163 1.00 0.00 N ATOM 1241 CA LYS C 40 8.911 6.612 3.985 1.00 0.00 C ATOM 1242 C LYS C 40 8.978 7.870 3.164 1.00 0.00 C ATOM 1243 O LYS C 40 7.966 8.474 2.803 1.00 0.00 O ATOM 1244 CB LYS C 40 9.884 6.701 5.156 1.00 0.00 C ATOM 1245 CG LYS C 40 10.409 5.369 5.637 1.00 0.00 C ATOM 1246 CD LYS C 40 11.839 5.115 5.163 1.00 0.00 C ATOM 1247 CE LYS C 40 12.828 6.087 5.797 1.00 0.00 C ATOM 1248 NZ LYS C 40 14.213 5.911 5.274 1.00 0.00 N ATOM 0 H LYS C 40 10.239 5.200 3.267 1.00 0.00 H new ATOM 0 HA LYS C 40 7.898 6.486 4.368 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.728 7.326 4.864 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.388 7.203 5.987 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.377 5.338 6.726 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.760 4.571 5.276 1.00 0.00 H new ATOM 0 HD2 LYS C 40 12.127 4.093 5.408 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.884 5.207 4.078 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.499 7.109 5.610 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.830 5.946 6.878 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 14.857 6.559 5.771 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 14.521 4.930 5.429 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 14.229 6.122 4.256 1.00 0.00 H new ATOM 1262 N GLU C 41 10.201 8.221 2.849 1.00 0.00 N ATOM 1263 CA GLU C 41 10.502 9.303 1.975 1.00 0.00 C ATOM 1264 C GLU C 41 9.931 9.038 0.584 1.00 0.00 C ATOM 1265 O GLU C 41 9.634 9.965 -0.167 1.00 0.00 O ATOM 1266 CB GLU C 41 12.010 9.470 1.950 1.00 0.00 C ATOM 1267 CG GLU C 41 12.599 9.857 3.302 1.00 0.00 C ATOM 1268 CD GLU C 41 14.100 10.058 3.269 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.549 11.148 2.861 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.840 9.132 3.664 1.00 0.00 O ATOM 0 H GLU C 41 11.028 7.743 3.208 1.00 0.00 H new ATOM 0 HA GLU C 41 10.044 10.227 2.327 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.466 8.538 1.617 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.272 10.233 1.216 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.124 10.776 3.647 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.360 9.082 4.030 1.00 0.00 H new ATOM 1277 N PHE C 42 9.785 7.755 0.260 1.00 0.00 N ATOM 1278 CA PHE C 42 9.117 7.322 -0.954 1.00 0.00 C ATOM 1279 C PHE C 42 7.708 7.893 -0.982 1.00 0.00 C ATOM 1280 O PHE C 42 7.336 8.593 -1.914 1.00 0.00 O ATOM 1281 CB PHE C 42 9.113 5.782 -0.975 1.00 0.00 C ATOM 1282 CG PHE C 42 8.056 5.102 -1.822 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.714 5.177 -1.485 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.413 4.368 -2.936 1.00 0.00 C ATOM 1285 CE1 PHE C 42 5.753 4.546 -2.242 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.454 3.729 -3.699 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.121 3.820 -3.350 1.00 0.00 C ATOM 0 H PHE C 42 10.130 6.988 0.837 1.00 0.00 H new ATOM 0 HA PHE C 42 9.635 7.682 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.090 5.447 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.001 5.431 0.051 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.417 5.741 -0.613 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.454 4.292 -3.214 1.00 0.00 H new ATOM 0 HE1 PHE C 42 4.712 4.621 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.747 3.159 -4.568 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.370 3.322 -3.946 1.00 0.00 H new ATOM 1297 N LYS C 43 6.959 7.645 0.089 1.00 0.00 N ATOM 1298 CA LYS C 43 5.575 8.085 0.169 1.00 0.00 C ATOM 1299 C LYS C 43 5.488 9.594 0.098 1.00 0.00 C ATOM 1300 O LYS C 43 4.613 10.158 -0.559 1.00 0.00 O ATOM 1301 CB LYS C 43 4.946 7.621 1.475 1.00 0.00 C ATOM 1302 CG LYS C 43 4.491 6.170 1.488 1.00 0.00 C ATOM 1303 CD LYS C 43 4.254 5.673 2.912 1.00 0.00 C ATOM 1304 CE LYS C 43 3.489 6.679 3.762 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.093 6.871 3.294 1.00 0.00 N ATOM 0 H LYS C 43 7.290 7.141 0.912 1.00 0.00 H new ATOM 0 HA LYS C 43 5.039 7.650 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.666 7.768 2.280 1.00 0.00 H new ATOM 0 HB3 LYS C 43 4.089 8.257 1.694 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.573 6.070 0.909 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.243 5.547 1.004 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.700 4.735 2.878 1.00 0.00 H new ATOM 0 HD3 LYS C 43 5.213 5.460 3.383 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.479 6.341 4.798 1.00 0.00 H new ATOM 0 HE3 LYS C 43 4.010 7.636 3.744 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.737 7.788 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.069 6.851 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 1.493 6.108 3.669 1.00 0.00 H new ATOM 1319 N GLU C 44 6.405 10.229 0.802 1.00 0.00 N ATOM 1320 CA GLU C 44 6.483 11.666 0.872 1.00 0.00 C ATOM 1321 C GLU C 44 6.658 12.266 -0.525 1.00 0.00 C ATOM 1322 O GLU C 44 6.043 13.278 -0.864 1.00 0.00 O ATOM 1323 CB GLU C 44 7.649 12.019 1.793 1.00 0.00 C ATOM 1324 CG GLU C 44 7.510 13.360 2.481 1.00 0.00 C ATOM 1325 CD GLU C 44 7.742 14.532 1.552 1.00 0.00 C ATOM 1326 OE1 GLU C 44 8.883 14.697 1.074 1.00 0.00 O ATOM 1327 OE2 GLU C 44 6.789 15.302 1.298 1.00 0.00 O ATOM 0 H GLU C 44 7.123 9.751 1.346 1.00 0.00 H new ATOM 0 HA GLU C 44 5.560 12.085 1.273 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.747 11.242 2.551 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.571 12.015 1.212 1.00 0.00 H new ATOM 0 HG2 GLU C 44 6.512 13.438 2.912 1.00 0.00 H new ATOM 0 HG3 GLU C 44 8.219 13.413 3.307 1.00 0.00 H new ATOM 1334 N HIS C 45 7.476 11.616 -1.342 1.00 0.00 N ATOM 1335 CA HIS C 45 7.744 12.058 -2.682 1.00 0.00 C ATOM 1336 C HIS C 45 6.532 11.886 -3.595 1.00 0.00 C ATOM 1337 O HIS C 45 6.188 12.791 -4.354 1.00 0.00 O ATOM 1338 CB HIS C 45 8.919 11.265 -3.226 1.00 0.00 C ATOM 1339 CG HIS C 45 10.242 11.656 -2.644 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.378 10.889 -2.782 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.606 12.735 -1.911 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.382 11.475 -2.157 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.939 12.595 -1.621 1.00 0.00 N ATOM 0 H HIS C 45 7.970 10.763 -1.081 1.00 0.00 H new ATOM 0 HA HIS C 45 7.977 13.122 -2.656 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.749 10.206 -3.034 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.959 11.391 -4.308 1.00 0.00 H new ATOM 0 HD2 HIS C 45 9.967 13.552 -1.611 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.393 11.101 -2.095 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.498 13.252 -1.077 1.00 0.00 H new ATOM 1352 N ILE C 46 5.877 10.731 -3.511 1.00 0.00 N ATOM 1353 CA ILE C 46 4.811 10.397 -4.438 1.00 0.00 C ATOM 1354 C ILE C 46 3.534 11.170 -4.114 1.00 0.00 C ATOM 1355 O ILE C 46 2.610 11.214 -4.925 1.00 0.00 O ATOM 1356 CB ILE C 46 4.507 8.878 -4.435 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.573 8.503 -3.294 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.787 8.074 -4.303 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.099 7.066 -3.343 1.00 0.00 C ATOM 0 H ILE C 46 6.069 10.015 -2.810 1.00 0.00 H new ATOM 0 HA ILE C 46 5.158 10.682 -5.431 1.00 0.00 H new ATOM 0 HB ILE C 46 4.023 8.646 -5.384 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.083 8.676 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.706 9.163 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.550 7.010 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.446 8.299 -5.141 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.286 8.335 -3.369 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.437 6.872 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.559 6.892 -4.274 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.958 6.397 -3.292 1.00 0.00 H new ATOM 1371 N ALA C 47 3.504 11.782 -2.926 1.00 0.00 N ATOM 1372 CA ALA C 47 2.343 12.513 -2.435 1.00 0.00 C ATOM 1373 C ALA C 47 1.695 13.402 -3.498 1.00 0.00 C ATOM 1374 O ALA C 47 0.475 13.402 -3.645 1.00 0.00 O ATOM 1375 CB ALA C 47 2.732 13.339 -1.221 1.00 0.00 C ATOM 0 H ALA C 47 4.292 11.781 -2.278 1.00 0.00 H new ATOM 0 HA ALA C 47 1.594 11.771 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.861 13.884 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.102 12.680 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.513 14.047 -1.498 1.00 0.00 H new ATOM 1381 N ALA C 48 2.488 14.152 -4.243 1.00 0.00 N ATOM 1382 CA ALA C 48 1.929 15.058 -5.239 1.00 0.00 C ATOM 1383 C ALA C 48 1.487 14.318 -6.490 1.00 0.00 C ATOM 1384 O ALA C 48 0.409 14.582 -7.022 1.00 0.00 O ATOM 1385 CB ALA C 48 2.922 16.127 -5.616 1.00 0.00 C ATOM 0 H ALA C 48 3.506 14.155 -4.182 1.00 0.00 H new ATOM 0 HA ALA C 48 1.054 15.523 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.479 16.789 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA C 48 3.189 16.704 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.817 15.663 -6.030 1.00 0.00 H new ATOM 1391 N SER C 49 2.310 13.385 -6.943 1.00 0.00 N ATOM 1392 CA SER C 49 2.038 12.643 -8.165 1.00 0.00 C ATOM 1393 C SER C 49 0.747 11.835 -8.054 1.00 0.00 C ATOM 1394 O SER C 49 0.162 11.443 -9.063 1.00 0.00 O ATOM 1395 CB SER C 49 3.211 11.732 -8.473 1.00 0.00 C ATOM 1396 OG SER C 49 4.244 11.888 -7.510 1.00 0.00 O ATOM 0 H SER C 49 3.179 13.122 -6.478 1.00 0.00 H new ATOM 0 HA SER C 49 1.906 13.355 -8.980 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.876 10.695 -8.488 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.599 11.956 -9.467 1.00 0.00 H new ATOM 0 HG SER C 49 4.988 11.289 -7.729 1.00 0.00 H new ATOM 1402 N VAL C 50 0.314 11.581 -6.827 1.00 0.00 N ATOM 1403 CA VAL C 50 -0.936 10.873 -6.590 1.00 0.00 C ATOM 1404 C VAL C 50 -1.997 11.776 -5.963 1.00 0.00 C ATOM 1405 O VAL C 50 -3.144 11.355 -5.801 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.718 9.635 -5.701 1.00 0.00 C ATOM 1407 CG1 VAL C 50 0.142 8.614 -6.426 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.082 10.019 -4.372 1.00 0.00 C ATOM 0 H VAL C 50 0.811 11.855 -5.979 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.298 10.550 -7.566 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.691 9.191 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.289 7.743 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.354 8.309 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL C 50 1.109 9.057 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL C 50 0.060 9.125 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.883 10.492 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.734 10.716 -3.845 1.00 0.00 H new ATOM 1418 N SER C 51 -1.610 13.011 -5.596 1.00 0.00 N ATOM 1419 CA SER C 51 -2.535 13.962 -4.987 1.00 0.00 C ATOM 1420 C SER C 51 -2.906 13.471 -3.595 1.00 0.00 C ATOM 1421 O SER C 51 -3.905 13.886 -3.007 1.00 0.00 O ATOM 1422 CB SER C 51 -3.783 14.154 -5.862 1.00 0.00 C ATOM 1423 OG SER C 51 -4.700 15.076 -5.289 1.00 0.00 O ATOM 0 H SER C 51 -0.661 13.366 -5.714 1.00 0.00 H new ATOM 0 HA SER C 51 -2.051 14.935 -4.904 1.00 0.00 H new ATOM 0 HB2 SER C 51 -3.483 14.507 -6.848 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.277 13.193 -6.004 1.00 0.00 H new ATOM 0 HG SER C 51 -4.695 14.979 -4.314 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.065 12.591 -3.073 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.279 12.005 -1.773 1.00 0.00 C ATOM 1431 C ILE C 52 -1.058 12.211 -0.892 1.00 0.00 C ATOM 1432 O ILE C 52 -0.013 11.617 -1.138 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.551 10.489 -1.847 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.778 10.176 -2.708 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.740 9.948 -0.438 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.087 10.374 -1.979 1.00 0.00 C ATOM 0 H ILE C 52 -1.219 12.268 -3.543 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.154 12.503 -1.356 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.695 10.006 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.764 10.812 -3.593 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.716 9.145 -3.055 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -2.933 8.876 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -1.838 10.130 0.146 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.585 10.449 0.034 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -5.915 10.135 -2.646 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.122 9.719 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.170 11.412 -1.655 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.177 13.020 0.162 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.063 13.296 1.055 1.00 0.00 C ATOM 1450 C PRO C 53 0.301 12.080 1.880 1.00 0.00 C ATOM 1451 O PRO C 53 -0.564 11.299 2.267 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.562 14.401 1.963 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.924 14.788 1.483 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.410 13.683 0.592 1.00 0.00 C ATOM 0 HA PRO C 53 0.833 13.572 0.499 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.601 14.060 2.998 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.113 15.256 1.935 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.602 14.931 2.324 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.887 15.732 0.940 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.068 12.998 1.126 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.974 14.071 -0.257 1.00 0.00 H new ATOM 1462 N SER C 54 1.596 11.955 2.159 1.00 0.00 N ATOM 1463 CA SER C 54 2.167 10.814 2.844 1.00 0.00 C ATOM 1464 C SER C 54 1.463 10.514 4.165 1.00 0.00 C ATOM 1465 O SER C 54 1.473 9.370 4.624 1.00 0.00 O ATOM 1466 CB SER C 54 3.655 11.094 3.057 1.00 0.00 C ATOM 1467 OG SER C 54 3.875 12.464 3.344 1.00 0.00 O ATOM 0 H SER C 54 2.286 12.662 1.907 1.00 0.00 H new ATOM 0 HA SER C 54 2.031 9.922 2.232 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.031 10.482 3.877 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.214 10.811 2.165 1.00 0.00 H new ATOM 0 HG SER C 54 4.745 12.571 3.783 1.00 0.00 H new ATOM 1473 N GLU C 55 0.839 11.534 4.753 1.00 0.00 N ATOM 1474 CA GLU C 55 0.167 11.391 6.038 1.00 0.00 C ATOM 1475 C GLU C 55 -1.189 10.690 5.899 1.00 0.00 C ATOM 1476 O GLU C 55 -1.618 9.973 6.797 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.002 12.758 6.676 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.851 13.664 5.850 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.955 15.061 6.414 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -1.832 15.299 7.269 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -0.159 15.932 6.001 1.00 0.00 O ATOM 0 H GLU C 55 0.787 12.472 4.355 1.00 0.00 H new ATOM 0 HA GLU C 55 0.787 10.763 6.678 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.450 12.643 7.663 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.978 13.213 6.821 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.441 13.716 4.841 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.851 13.238 5.766 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.861 10.899 4.772 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.150 10.257 4.514 1.00 0.00 C ATOM 1490 C LYS C 56 -2.949 9.028 3.650 1.00 0.00 C ATOM 1491 O LYS C 56 -3.788 8.139 3.595 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.094 11.215 3.785 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.578 12.385 4.623 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.263 13.439 3.760 1.00 0.00 C ATOM 1495 CE LYS C 56 -6.428 12.870 2.954 1.00 0.00 C ATOM 1496 NZ LYS C 56 -7.587 12.483 3.805 1.00 0.00 N ATOM 0 H LYS C 56 -1.536 11.508 4.021 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.587 9.977 5.473 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.586 11.603 2.902 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.960 10.654 3.434 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.272 12.028 5.384 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.734 12.833 5.147 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -5.626 14.245 4.397 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -4.533 13.876 3.078 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.752 13.610 2.222 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -6.086 11.998 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -8.366 12.151 3.201 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.303 11.721 4.453 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.903 13.306 4.356 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.820 9.009 2.986 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.522 8.035 1.956 1.00 0.00 C ATOM 1512 C GLN C 57 -1.397 6.624 2.525 1.00 0.00 C ATOM 1513 O GLN C 57 -0.586 6.375 3.416 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.212 8.448 1.309 1.00 0.00 C ATOM 1515 CG GLN C 57 0.056 7.838 -0.040 1.00 0.00 C ATOM 1516 CD GLN C 57 1.450 8.161 -0.494 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.373 7.392 -0.259 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.624 9.325 -1.093 1.00 0.00 N ATOM 0 H GLN C 57 -1.068 9.679 3.146 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.336 8.013 1.232 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.201 9.533 1.208 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.606 8.182 1.979 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.075 6.757 0.010 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.666 8.213 -0.766 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.824 9.933 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.558 9.616 -1.381 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.196 5.711 2.003 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.128 4.311 2.393 1.00 0.00 C ATOM 1529 C ARG C 58 -1.930 3.434 1.168 1.00 0.00 C ATOM 1530 O ARG C 58 -2.784 3.394 0.279 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.399 3.900 3.145 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.399 4.339 4.599 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.782 4.259 5.232 1.00 0.00 C ATOM 1534 NE ARG C 58 -5.332 2.905 5.266 1.00 0.00 N ATOM 1535 CZ ARG C 58 -5.462 2.181 6.381 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -4.991 2.632 7.538 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -6.063 1.003 6.327 1.00 0.00 N ATOM 0 H ARG C 58 -2.907 5.915 1.301 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.276 4.177 3.060 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.266 4.328 2.642 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.507 2.816 3.099 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.708 3.714 5.164 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.031 5.363 4.666 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -4.730 4.647 6.249 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -5.464 4.905 4.679 1.00 0.00 H new ATOM 0 HE ARG C 58 -5.635 2.488 4.386 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -4.525 3.538 7.580 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -5.095 2.072 8.384 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -6.423 0.654 5.439 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -6.166 0.444 7.174 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.787 2.763 1.104 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.487 1.881 0.005 1.00 0.00 C ATOM 1553 C LEU C 59 -1.045 0.490 0.286 1.00 0.00 C ATOM 1554 O LEU C 59 -0.579 -0.190 1.178 1.00 0.00 O ATOM 1555 CB LEU C 59 1.019 1.795 -0.135 1.00 0.00 C ATOM 1556 CG LEU C 59 1.758 3.110 -0.389 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.253 2.901 -0.205 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.463 3.633 -1.788 1.00 0.00 C ATOM 0 H LEU C 59 -0.053 2.820 1.810 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.937 2.263 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.421 1.348 0.774 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.247 1.112 -0.953 1.00 0.00 H new ATOM 0 HG LEU C 59 1.410 3.853 0.329 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.777 3.840 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.451 2.566 0.813 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.604 2.147 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU C 59 1.999 4.569 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.787 2.900 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.392 3.806 -1.894 1.00 0.00 H new ATOM 1570 N ILE C 60 -2.049 0.068 -0.447 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.632 -1.248 -0.212 1.00 0.00 C ATOM 1572 C ILE C 60 -2.320 -2.218 -1.338 1.00 0.00 C ATOM 1573 O ILE C 60 -2.784 -2.054 -2.466 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.152 -1.178 -0.066 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.553 0.050 0.733 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.661 -2.441 0.614 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -6.006 0.390 0.573 1.00 0.00 C ATOM 0 H ILE C 60 -2.479 0.602 -1.202 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.185 -1.604 0.716 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.599 -1.102 -1.057 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.337 -0.120 1.788 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.947 0.899 0.417 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.745 -2.388 0.716 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.396 -3.310 0.012 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.207 -2.531 1.601 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.240 1.275 1.165 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.220 0.589 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.615 -0.447 0.915 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.544 -3.233 -1.029 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.295 -4.301 -1.970 1.00 0.00 C ATOM 1591 C TYR C 61 -1.554 -5.637 -1.289 1.00 0.00 C ATOM 1592 O TYR C 61 -1.024 -5.888 -0.212 1.00 0.00 O ATOM 1593 CB TYR C 61 0.133 -4.221 -2.518 1.00 0.00 C ATOM 1594 CG TYR C 61 0.407 -5.213 -3.621 1.00 0.00 C ATOM 1595 CD1 TYR C 61 -0.461 -5.326 -4.693 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.521 -6.036 -3.589 1.00 0.00 C ATOM 1597 CE1 TYR C 61 -0.236 -6.233 -5.701 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.761 -6.950 -4.597 1.00 0.00 C ATOM 1599 CZ TYR C 61 0.878 -7.048 -5.650 1.00 0.00 C ATOM 1600 OH TYR C 61 1.106 -7.963 -6.653 1.00 0.00 O ATOM 0 H TYR C 61 -1.073 -3.341 -0.130 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.971 -4.202 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.315 -3.213 -2.892 1.00 0.00 H new ATOM 0 HB3 TYR C 61 0.837 -4.391 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -1.332 -4.689 -4.738 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.213 -5.962 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.926 -6.308 -6.528 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.635 -7.583 -4.560 1.00 0.00 H new ATOM 0 HH TYR C 61 1.932 -8.455 -6.465 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.395 -6.475 -1.903 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.780 -7.765 -1.316 1.00 0.00 C ATOM 1612 C GLN C 62 -3.474 -7.552 0.027 1.00 0.00 C ATOM 1613 O GLN C 62 -3.315 -8.344 0.956 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.556 -8.667 -1.130 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.723 -8.834 -2.388 1.00 0.00 C ATOM 1616 CD GLN C 62 0.487 -9.705 -2.173 1.00 0.00 C ATOM 1617 OE1 GLN C 62 1.561 -9.218 -1.823 1.00 0.00 O ATOM 1618 NE2 GLN C 62 0.328 -10.992 -2.384 1.00 0.00 N ATOM 0 H GLN C 62 -2.824 -6.284 -2.809 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.472 -8.254 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.928 -8.253 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.887 -9.649 -0.792 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.342 -9.267 -3.174 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.402 -7.853 -2.739 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.581 -11.353 -2.673 1.00 0.00 H new ATOM 0 HE22 GLN C 62 1.114 -11.630 -2.258 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.222 -6.458 0.128 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.928 -6.135 1.356 1.00 0.00 C ATOM 1629 C GLY C 63 -3.995 -5.772 2.495 1.00 0.00 C ATOM 1630 O GLY C 63 -4.434 -5.578 3.631 1.00 0.00 O ATOM 0 H GLY C 63 -4.353 -5.783 -0.626 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.607 -5.303 1.170 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.540 -6.987 1.652 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.704 -5.689 2.194 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.715 -5.265 3.167 1.00 0.00 C ATOM 1636 C ARG C 64 -1.623 -3.759 3.119 1.00 0.00 C ATOM 1637 O ARG C 64 -1.560 -3.181 2.032 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.336 -5.858 2.849 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.294 -7.374 2.755 1.00 0.00 C ATOM 1640 CD ARG C 64 -0.437 -8.037 4.112 1.00 0.00 C ATOM 1641 NE ARG C 64 -1.791 -7.926 4.641 1.00 0.00 N ATOM 1642 CZ ARG C 64 -2.096 -8.009 5.930 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -1.141 -8.158 6.839 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -3.361 -7.940 6.301 1.00 0.00 N ATOM 0 H ARG C 64 -2.320 -5.912 1.276 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.017 -5.611 4.155 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.013 -5.441 1.904 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.367 -5.537 3.618 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -1.093 -7.718 2.099 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.647 -7.682 2.299 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.166 -9.090 4.030 1.00 0.00 H new ATOM 0 HD3 ARG C 64 0.263 -7.581 4.812 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.552 -7.775 3.979 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -0.164 -8.210 6.549 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -1.383 -8.221 7.828 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.093 -7.824 5.600 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -3.607 -8.003 7.289 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.632 -3.111 4.267 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.505 -1.672 4.271 1.00 0.00 C ATOM 1660 C VAL C 65 -0.035 -1.299 4.354 1.00 0.00 C ATOM 1661 O VAL C 65 0.521 -1.106 5.440 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.285 -1.013 5.427 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.693 0.398 5.038 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.507 -1.838 5.798 1.00 0.00 C ATOM 0 H VAL C 65 -1.723 -3.546 5.185 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.938 -1.298 3.343 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.635 -0.966 6.301 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.243 0.857 5.859 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.802 0.988 4.823 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.327 0.362 4.152 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.040 -1.352 6.615 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.166 -1.921 4.934 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.192 -2.834 6.111 1.00 0.00 H new ATOM 1674 N LEU C 66 0.583 -1.214 3.189 1.00 0.00 N ATOM 1675 CA LEU C 66 1.972 -0.818 3.063 1.00 0.00 C ATOM 1676 C LEU C 66 2.074 0.639 3.446 1.00 0.00 C ATOM 1677 O LEU C 66 1.189 1.439 3.130 1.00 0.00 O ATOM 1678 CB LEU C 66 2.469 -1.009 1.630 1.00 0.00 C ATOM 1679 CG LEU C 66 1.736 -2.064 0.802 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.228 -2.023 -0.628 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.913 -3.459 1.392 1.00 0.00 C ATOM 0 H LEU C 66 0.131 -1.420 2.298 1.00 0.00 H new ATOM 0 HA LEU C 66 2.589 -1.437 3.714 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.396 -0.053 1.111 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.526 -1.273 1.665 1.00 0.00 H new ATOM 0 HG LEU C 66 0.670 -1.836 0.821 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.703 -2.777 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.037 -1.036 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.299 -2.227 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.379 -4.184 0.778 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.973 -3.713 1.414 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.514 -3.478 2.406 1.00 0.00 H new ATOM 1693 N GLN C 67 3.133 0.994 4.127 1.00 0.00 N ATOM 1694 CA GLN C 67 3.251 2.327 4.661 1.00 0.00 C ATOM 1695 C GLN C 67 4.722 2.683 4.852 1.00 0.00 C ATOM 1696 O GLN C 67 5.599 1.956 4.398 1.00 0.00 O ATOM 1697 CB GLN C 67 2.494 2.421 5.989 1.00 0.00 C ATOM 1698 CG GLN C 67 2.916 1.375 7.006 1.00 0.00 C ATOM 1699 CD GLN C 67 2.038 1.368 8.237 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.291 2.093 9.199 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.012 0.537 8.223 1.00 0.00 N ATOM 0 H GLN C 67 3.924 0.381 4.325 1.00 0.00 H new ATOM 0 HA GLN C 67 2.813 3.038 3.960 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.647 3.412 6.415 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.426 2.318 5.797 1.00 0.00 H new ATOM 0 HG2 GLN C 67 2.889 0.390 6.540 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.949 1.559 7.303 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.839 -0.046 7.404 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.392 0.478 9.031 1.00 0.00 H new ATOM 1710 N ASP C 68 4.978 3.783 5.542 1.00 0.00 N ATOM 1711 CA ASP C 68 6.323 4.274 5.806 1.00 0.00 C ATOM 1712 C ASP C 68 7.118 3.346 6.746 1.00 0.00 C ATOM 1713 O ASP C 68 8.269 3.630 7.072 1.00 0.00 O ATOM 1714 CB ASP C 68 6.250 5.691 6.381 1.00 0.00 C ATOM 1715 CG ASP C 68 5.479 5.748 7.680 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.238 5.616 7.643 1.00 0.00 O ATOM 1717 OD2 ASP C 68 6.106 5.931 8.742 1.00 0.00 O ATOM 0 H ASP C 68 4.246 4.370 5.941 1.00 0.00 H new ATOM 0 HA ASP C 68 6.861 4.290 4.858 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.260 6.066 6.545 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.779 6.352 5.653 1.00 0.00 H new ATOM 1722 N ASP C 69 6.494 2.245 7.179 1.00 0.00 N ATOM 1723 CA ASP C 69 7.075 1.313 8.170 1.00 0.00 C ATOM 1724 C ASP C 69 8.342 0.619 7.662 1.00 0.00 C ATOM 1725 O ASP C 69 8.978 -0.146 8.391 1.00 0.00 O ATOM 1726 CB ASP C 69 6.048 0.250 8.543 1.00 0.00 C ATOM 1727 CG ASP C 69 6.459 -0.564 9.758 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.564 0.018 10.863 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.669 -1.788 9.619 1.00 0.00 O ATOM 0 H ASP C 69 5.567 1.968 6.855 1.00 0.00 H new ATOM 0 HA ASP C 69 7.350 1.911 9.039 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.090 0.730 8.740 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.900 -0.420 7.696 1.00 0.00 H new ATOM 1734 N LYS C 70 8.674 0.886 6.409 1.00 0.00 N ATOM 1735 CA LYS C 70 9.917 0.420 5.770 1.00 0.00 C ATOM 1736 C LYS C 70 9.795 -1.017 5.270 1.00 0.00 C ATOM 1737 O LYS C 70 8.767 -1.667 5.464 1.00 0.00 O ATOM 1738 CB LYS C 70 11.129 0.535 6.710 1.00 0.00 C ATOM 1739 CG LYS C 70 11.257 1.879 7.413 1.00 0.00 C ATOM 1740 CD LYS C 70 12.536 1.949 8.233 1.00 0.00 C ATOM 1741 CE LYS C 70 12.603 3.212 9.078 1.00 0.00 C ATOM 1742 NZ LYS C 70 11.571 3.224 10.149 1.00 0.00 N ATOM 0 H LYS C 70 8.085 1.441 5.788 1.00 0.00 H new ATOM 0 HA LYS C 70 10.079 1.076 4.915 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.064 -0.250 7.463 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.037 0.352 6.136 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.250 2.681 6.675 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.396 2.037 8.063 1.00 0.00 H new ATOM 0 HD2 LYS C 70 12.599 1.075 8.882 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.397 1.913 7.565 1.00 0.00 H new ATOM 0 HE2 LYS C 70 13.592 3.295 9.528 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.470 4.084 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 11.795 3.969 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 10.638 3.410 9.730 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 11.558 2.301 10.629 1.00 0.00 H new ATOM 1756 N LYS C 71 10.868 -1.487 4.626 1.00 0.00 N ATOM 1757 CA LYS C 71 10.963 -2.845 4.077 1.00 0.00 C ATOM 1758 C LYS C 71 10.131 -2.984 2.804 1.00 0.00 C ATOM 1759 O LYS C 71 9.066 -3.600 2.797 1.00 0.00 O ATOM 1760 CB LYS C 71 10.565 -3.899 5.117 1.00 0.00 C ATOM 1761 CG LYS C 71 11.406 -3.845 6.383 1.00 0.00 C ATOM 1762 CD LYS C 71 11.015 -4.930 7.370 1.00 0.00 C ATOM 1763 CE LYS C 71 11.713 -4.738 8.707 1.00 0.00 C ATOM 1764 NZ LYS C 71 13.196 -4.790 8.586 1.00 0.00 N ATOM 0 H LYS C 71 11.707 -0.928 4.469 1.00 0.00 H new ATOM 0 HA LYS C 71 12.006 -3.021 3.814 1.00 0.00 H new ATOM 0 HB2 LYS C 71 9.516 -3.761 5.380 1.00 0.00 H new ATOM 0 HB3 LYS C 71 10.655 -4.890 4.672 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.459 -3.953 6.124 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.292 -2.868 6.853 1.00 0.00 H new ATOM 0 HD2 LYS C 71 9.935 -4.919 7.516 1.00 0.00 H new ATOM 0 HD3 LYS C 71 11.272 -5.907 6.960 1.00 0.00 H new ATOM 0 HE2 LYS C 71 11.419 -3.778 9.132 1.00 0.00 H new ATOM 0 HE3 LYS C 71 11.381 -5.510 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 13.624 -4.739 9.533 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 13.476 -5.680 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 13.526 -3.987 8.014 1.00 0.00 H new ATOM 1778 N LEU C 72 10.653 -2.419 1.718 1.00 0.00 N ATOM 1779 CA LEU C 72 9.962 -2.401 0.430 1.00 0.00 C ATOM 1780 C LEU C 72 9.783 -3.804 -0.152 1.00 0.00 C ATOM 1781 O LEU C 72 8.704 -4.142 -0.634 1.00 0.00 O ATOM 1782 CB LEU C 72 10.729 -1.526 -0.567 1.00 0.00 C ATOM 1783 CG LEU C 72 10.599 -0.014 -0.363 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.593 0.736 -1.232 1.00 0.00 C ATOM 1785 CD2 LEU C 72 9.186 0.437 -0.687 1.00 0.00 C ATOM 0 H LEU C 72 11.565 -1.962 1.705 1.00 0.00 H new ATOM 0 HA LEU C 72 8.969 -1.985 0.604 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.785 -1.791 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU C 72 10.387 -1.769 -1.573 1.00 0.00 H new ATOM 0 HG LEU C 72 10.816 0.209 0.682 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.482 1.808 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.607 0.433 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.405 0.506 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU C 72 9.105 1.514 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU C 72 8.956 0.195 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.481 -0.074 -0.031 1.00 0.00 H new ATOM 1797 N GLN C 73 10.836 -4.618 -0.119 1.00 0.00 N ATOM 1798 CA GLN C 73 10.792 -5.943 -0.680 1.00 0.00 C ATOM 1799 C GLN C 73 9.904 -6.866 0.124 1.00 0.00 C ATOM 1800 O GLN C 73 9.378 -7.838 -0.399 1.00 0.00 O ATOM 1801 CB GLN C 73 12.184 -6.499 -0.731 1.00 0.00 C ATOM 1802 CG GLN C 73 12.929 -6.444 0.594 1.00 0.00 C ATOM 1803 CD GLN C 73 14.304 -7.074 0.518 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.536 -7.997 -0.261 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.222 -6.583 1.335 1.00 0.00 N ATOM 0 H GLN C 73 11.733 -4.369 0.297 1.00 0.00 H new ATOM 0 HA GLN C 73 10.372 -5.874 -1.683 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.137 -7.535 -1.065 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.755 -5.949 -1.479 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.027 -5.405 0.908 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.342 -6.954 1.358 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.986 -5.816 1.965 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.165 -6.971 1.334 1.00 0.00 H new ATOM 1814 N GLU C 74 9.754 -6.557 1.398 1.00 0.00 N ATOM 1815 CA GLU C 74 8.846 -7.289 2.255 1.00 0.00 C ATOM 1816 C GLU C 74 7.418 -7.033 1.818 1.00 0.00 C ATOM 1817 O GLU C 74 6.518 -7.821 2.093 1.00 0.00 O ATOM 1818 CB GLU C 74 9.053 -6.909 3.715 1.00 0.00 C ATOM 1819 CG GLU C 74 10.439 -7.269 4.220 1.00 0.00 C ATOM 1820 CD GLU C 74 10.798 -8.717 3.943 1.00 0.00 C ATOM 1821 OE1 GLU C 74 10.002 -9.613 4.296 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.880 -8.966 3.370 1.00 0.00 O ATOM 0 H GLU C 74 10.253 -5.799 1.863 1.00 0.00 H new ATOM 0 HA GLU C 74 9.053 -8.355 2.165 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.894 -5.837 3.834 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.305 -7.412 4.327 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.175 -6.618 3.748 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.491 -7.083 5.293 1.00 0.00 H new ATOM 1829 N TYR C 75 7.214 -5.894 1.167 1.00 0.00 N ATOM 1830 CA TYR C 75 5.923 -5.567 0.602 1.00 0.00 C ATOM 1831 C TYR C 75 5.814 -6.168 -0.802 1.00 0.00 C ATOM 1832 O TYR C 75 4.733 -6.204 -1.389 1.00 0.00 O ATOM 1833 CB TYR C 75 5.702 -4.043 0.565 1.00 0.00 C ATOM 1834 CG TYR C 75 5.776 -3.360 1.925 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.948 -4.095 3.090 1.00 0.00 C ATOM 1836 CD2 TYR C 75 5.691 -1.975 2.039 1.00 0.00 C ATOM 1837 CE1 TYR C 75 6.026 -3.477 4.323 1.00 0.00 C ATOM 1838 CE2 TYR C 75 5.769 -1.352 3.270 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.934 -2.108 4.406 1.00 0.00 C ATOM 1840 OH TYR C 75 6.010 -1.491 5.634 1.00 0.00 O ATOM 0 H TYR C 75 7.932 -5.184 1.020 1.00 0.00 H new ATOM 0 HA TYR C 75 5.144 -5.993 1.235 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.448 -3.596 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.726 -3.841 0.124 1.00 0.00 H new ATOM 0 HD1 TYR C 75 6.022 -5.171 3.031 1.00 0.00 H new ATOM 0 HD2 TYR C 75 5.562 -1.377 1.149 1.00 0.00 H new ATOM 0 HE1 TYR C 75 6.159 -4.067 5.218 1.00 0.00 H new ATOM 0 HE2 TYR C 75 5.701 -0.276 3.339 1.00 0.00 H new ATOM 0 HH TYR C 75 6.950 -1.392 5.893 1.00 0.00 H new ATOM 1850 N ASN C 76 6.962 -6.670 -1.312 1.00 0.00 N ATOM 1851 CA ASN C 76 7.057 -7.362 -2.572 1.00 0.00 C ATOM 1852 C ASN C 76 6.356 -6.639 -3.716 1.00 0.00 C ATOM 1853 O ASN C 76 5.815 -7.278 -4.618 1.00 0.00 O ATOM 1854 CB ASN C 76 6.498 -8.761 -2.429 1.00 0.00 C ATOM 1855 CG ASN C 76 6.749 -9.415 -1.090 1.00 0.00 C ATOM 1856 OD1 ASN C 76 5.956 -9.285 -0.161 1.00 0.00 O ATOM 1857 ND2 ASN C 76 7.832 -10.156 -0.993 1.00 0.00 N ATOM 0 H ASN C 76 7.857 -6.591 -0.830 1.00 0.00 H new ATOM 0 HA ASN C 76 8.115 -7.398 -2.830 1.00 0.00 H new ATOM 0 HB2 ASN C 76 5.423 -8.726 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN C 76 6.927 -9.389 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN C 76 8.037 -10.648 -0.123 1.00 0.00 H new ATOM 0 HD22 ASN C 76 8.466 -10.239 -1.788 1.00 0.00 H new ATOM 1864 N VAL C 77 6.393 -5.316 -3.707 1.00 0.00 N ATOM 1865 CA VAL C 77 5.670 -4.540 -4.715 1.00 0.00 C ATOM 1866 C VAL C 77 6.531 -4.248 -5.947 1.00 0.00 C ATOM 1867 O VAL C 77 6.200 -3.388 -6.762 1.00 0.00 O ATOM 1868 CB VAL C 77 5.139 -3.216 -4.135 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.296 -3.487 -2.904 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.272 -2.259 -3.808 1.00 0.00 C ATOM 0 H VAL C 77 6.907 -4.759 -3.025 1.00 0.00 H new ATOM 0 HA VAL C 77 4.826 -5.157 -5.024 1.00 0.00 H new ATOM 0 HB VAL C 77 4.516 -2.740 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.926 -2.544 -2.502 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.453 -4.123 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.903 -3.989 -2.151 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.862 -1.335 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.934 -2.717 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.834 -2.038 -4.715 1.00 0.00 H new ATOM 1880 N GLY C 78 7.624 -4.981 -6.084 1.00 0.00 N ATOM 1881 CA GLY C 78 8.513 -4.795 -7.190 1.00 0.00 C ATOM 1882 C GLY C 78 7.942 -5.320 -8.462 1.00 0.00 C ATOM 1883 O GLY C 78 7.877 -6.525 -8.718 1.00 0.00 O ATOM 0 H GLY C 78 7.907 -5.712 -5.431 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.733 -3.734 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.458 -5.297 -6.983 1.00 0.00 H new ATOM 1887 N GLY C 79 7.495 -4.381 -9.213 1.00 0.00 N ATOM 1888 CA GLY C 79 6.983 -4.635 -10.543 1.00 0.00 C ATOM 1889 C GLY C 79 5.504 -4.968 -10.556 1.00 0.00 C ATOM 1890 O GLY C 79 4.984 -5.482 -11.545 1.00 0.00 O ATOM 0 H GLY C 79 7.467 -3.400 -8.935 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.158 -3.758 -11.167 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.539 -5.460 -10.989 1.00 0.00 H new ATOM 1894 N LYS C 80 4.834 -4.694 -9.448 1.00 0.00 N ATOM 1895 CA LYS C 80 3.397 -4.953 -9.321 1.00 0.00 C ATOM 1896 C LYS C 80 2.679 -3.661 -8.931 1.00 0.00 C ATOM 1897 O LYS C 80 3.260 -2.834 -8.227 1.00 0.00 O ATOM 1898 CB LYS C 80 3.152 -6.015 -8.244 1.00 0.00 C ATOM 1899 CG LYS C 80 4.079 -7.220 -8.327 1.00 0.00 C ATOM 1900 CD LYS C 80 3.864 -8.025 -9.599 1.00 0.00 C ATOM 1901 CE LYS C 80 4.850 -9.181 -9.694 1.00 0.00 C ATOM 1902 NZ LYS C 80 6.260 -8.708 -9.781 1.00 0.00 N ATOM 0 H LYS C 80 5.261 -4.289 -8.615 1.00 0.00 H new ATOM 0 HA LYS C 80 3.013 -5.313 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.264 -5.553 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.121 -6.359 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.115 -6.883 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS C 80 3.916 -7.862 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS C 80 2.845 -8.411 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS C 80 3.977 -7.375 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.737 -9.826 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.616 -9.786 -10.570 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 6.879 -9.506 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.335 -7.971 -10.511 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 6.552 -8.317 -8.863 1.00 0.00 H new ATOM 1916 N VAL C 81 1.431 -3.468 -9.381 1.00 0.00 N ATOM 1917 CA VAL C 81 0.703 -2.251 -9.022 1.00 0.00 C ATOM 1918 C VAL C 81 0.019 -2.365 -7.665 1.00 0.00 C ATOM 1919 O VAL C 81 -0.755 -3.286 -7.400 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.329 -1.768 -10.066 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.291 -1.434 -11.405 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.425 -2.757 -10.256 1.00 0.00 C ATOM 0 H VAL C 81 0.920 -4.120 -9.976 1.00 0.00 H new ATOM 0 HA VAL C 81 1.489 -1.497 -8.983 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.744 -0.848 -9.656 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.486 -1.101 -12.093 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.027 -0.640 -11.277 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.780 -2.320 -11.811 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.130 -2.381 -10.997 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.006 -3.703 -10.600 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.943 -2.913 -9.309 1.00 0.00 H new ATOM 1932 N ILE C 82 0.347 -1.420 -6.801 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.291 -1.278 -5.508 1.00 0.00 C ATOM 1934 C ILE C 82 -1.658 -0.613 -5.685 1.00 0.00 C ATOM 1935 O ILE C 82 -1.999 -0.204 -6.778 1.00 0.00 O ATOM 1936 CB ILE C 82 0.614 -0.427 -4.574 1.00 0.00 C ATOM 1937 CG1 ILE C 82 1.968 -1.061 -4.440 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.003 -0.213 -3.198 1.00 0.00 C ATOM 1939 CD1 ILE C 82 2.957 -0.222 -3.662 1.00 0.00 C ATOM 0 H ILE C 82 1.071 -0.724 -6.981 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.435 -2.259 -5.056 1.00 0.00 H new ATOM 0 HB ILE C 82 0.711 0.554 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.860 -2.028 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.370 -1.252 -5.435 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.679 0.388 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.951 0.305 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.158 -1.178 -2.717 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.912 -0.744 -3.606 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.095 0.736 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.577 -0.052 -2.655 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.466 -0.549 -4.642 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.691 0.235 -4.680 1.00 0.00 C ATOM 1953 C HIS C 83 -3.638 1.323 -3.621 1.00 0.00 C ATOM 1954 O HIS C 83 -3.535 1.035 -2.436 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.916 -0.654 -4.460 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.133 -1.639 -5.562 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.998 -2.999 -5.389 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.467 -1.459 -6.861 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.239 -3.612 -6.532 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.525 -2.701 -7.439 1.00 0.00 N ATOM 0 H HIS C 83 -2.298 -1.029 -3.758 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.777 0.694 -5.665 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.803 -1.191 -3.518 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.801 -0.025 -4.364 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.653 -0.514 -7.350 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -5.207 -4.679 -6.696 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.753 -2.889 -8.415 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.714 2.569 -4.041 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.505 3.673 -3.160 1.00 0.00 C ATOM 1971 C LEU C 84 -4.828 4.303 -2.701 1.00 0.00 C ATOM 1972 O LEU C 84 -5.806 4.333 -3.449 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.659 4.672 -3.898 1.00 0.00 C ATOM 1974 CG LEU C 84 -2.621 6.009 -3.253 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -2.010 5.916 -1.871 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.847 6.954 -4.108 1.00 0.00 C ATOM 0 H LEU C 84 -3.923 2.833 -5.004 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.006 3.334 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -1.642 4.287 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.040 4.778 -4.914 1.00 0.00 H new ATOM 0 HG LEU C 84 -3.640 6.381 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU C 84 -1.991 6.906 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -2.606 5.243 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -0.993 5.532 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU C 84 -1.820 7.935 -3.634 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -0.830 6.583 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -2.325 7.036 -5.084 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.848 4.774 -1.454 1.00 0.00 N ATOM 1989 CA VAL C 85 -5.961 5.562 -0.935 1.00 0.00 C ATOM 1990 C VAL C 85 -5.476 6.474 0.180 1.00 0.00 C ATOM 1991 O VAL C 85 -4.281 6.562 0.465 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.102 4.669 -0.412 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -6.806 4.163 0.980 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -8.469 5.352 -0.493 1.00 0.00 C ATOM 0 H VAL C 85 -4.097 4.620 -0.781 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.353 6.159 -1.759 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.156 3.805 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.629 3.536 1.322 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -5.886 3.579 0.967 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.689 5.009 1.657 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -9.236 4.678 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -8.457 6.263 0.105 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -8.690 5.603 -1.531 1.00 0.00 H new ATOM 2004 N GLU C 86 -6.421 7.136 0.788 1.00 0.00 N ATOM 2005 CA GLU C 86 -6.191 8.047 1.859 1.00 0.00 C ATOM 2006 C GLU C 86 -6.887 7.575 3.133 1.00 0.00 C ATOM 2007 O GLU C 86 -7.802 6.750 3.081 1.00 0.00 O ATOM 2008 CB GLU C 86 -6.757 9.391 1.465 1.00 0.00 C ATOM 2009 CG GLU C 86 -8.150 9.333 0.864 1.00 0.00 C ATOM 2010 CD GLU C 86 -8.825 10.688 0.855 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -9.105 11.224 1.949 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -9.076 11.228 -0.237 1.00 0.00 O ATOM 0 H GLU C 86 -7.406 7.048 0.537 1.00 0.00 H new ATOM 0 HA GLU C 86 -5.120 8.111 2.051 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -6.781 10.034 2.345 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -6.084 9.859 0.747 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -8.089 8.953 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -8.759 8.629 1.431 1.00 0.00 H new ATOM 2019 N ARG C 87 -6.448 8.103 4.267 1.00 0.00 N ATOM 2020 CA ARG C 87 -7.127 7.889 5.525 1.00 0.00 C ATOM 2021 C ARG C 87 -8.279 8.867 5.628 1.00 0.00 C ATOM 2022 O ARG C 87 -8.289 9.903 4.955 1.00 0.00 O ATOM 2023 CB ARG C 87 -6.180 8.104 6.707 1.00 0.00 C ATOM 2024 CG ARG C 87 -4.818 7.457 6.533 1.00 0.00 C ATOM 2025 CD ARG C 87 -3.968 7.589 7.785 1.00 0.00 C ATOM 2026 NE ARG C 87 -3.716 8.985 8.132 1.00 0.00 N ATOM 2027 CZ ARG C 87 -4.310 9.623 9.138 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -5.159 8.980 9.931 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -4.045 10.904 9.358 1.00 0.00 N ATOM 0 H ARG C 87 -5.615 8.688 4.335 1.00 0.00 H new ATOM 0 HA ARG C 87 -7.488 6.861 5.558 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -6.045 9.175 6.861 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -6.646 7.708 7.609 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -4.945 6.402 6.289 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -4.301 7.919 5.692 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -4.469 7.094 8.617 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -3.018 7.076 7.634 1.00 0.00 H new ATOM 0 HE ARG C 87 -3.043 9.504 7.568 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -5.359 7.993 9.771 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -5.612 9.473 10.701 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -3.387 11.399 8.757 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -4.500 11.394 10.129 1.00 0.00 H new ATOM 2043 N ALA C 88 -9.220 8.545 6.486 1.00 0.00 N ATOM 2044 CA ALA C 88 -10.430 9.322 6.630 1.00 0.00 C ATOM 2045 C ALA C 88 -10.149 10.691 7.244 1.00 0.00 C ATOM 2046 O ALA C 88 -9.339 10.821 8.164 1.00 0.00 O ATOM 2047 CB ALA C 88 -11.455 8.567 7.457 1.00 0.00 C ATOM 0 H ALA C 88 -9.168 7.736 7.105 1.00 0.00 H new ATOM 0 HA ALA C 88 -10.838 9.485 5.632 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -12.359 9.169 7.554 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -11.697 7.625 6.965 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -11.046 8.364 8.447 1.00 0.00 H new ATOM 2053 N PRO C 89 -10.818 11.723 6.717 1.00 0.00 N ATOM 2054 CA PRO C 89 -10.681 13.116 7.173 1.00 0.00 C ATOM 2055 C PRO C 89 -11.129 13.309 8.625 1.00 0.00 C ATOM 2056 O PRO C 89 -11.842 12.463 9.174 1.00 0.00 O ATOM 2057 CB PRO C 89 -11.608 13.890 6.233 1.00 0.00 C ATOM 2058 CG PRO C 89 -11.797 13.000 5.065 1.00 0.00 C ATOM 2059 CD PRO C 89 -11.772 11.610 5.613 1.00 0.00 C ATOM 0 HA PRO C 89 -9.642 13.446 7.148 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -12.559 14.117 6.715 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -11.166 14.841 5.937 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -12.742 13.207 4.563 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -11.007 13.146 4.329 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -12.756 11.292 5.958 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -11.446 10.885 4.867 1.00 0.00 H new ATOM 2067 N PRO C 90 -10.727 14.434 9.258 1.00 0.00 N ATOM 2068 CA PRO C 90 -11.066 14.740 10.659 1.00 0.00 C ATOM 2069 C PRO C 90 -12.539 15.117 10.860 1.00 0.00 C ATOM 2070 O PRO C 90 -12.858 16.186 11.387 1.00 0.00 O ATOM 2071 CB PRO C 90 -10.163 15.934 10.987 1.00 0.00 C ATOM 2072 CG PRO C 90 -9.930 16.599 9.675 1.00 0.00 C ATOM 2073 CD PRO C 90 -9.895 15.496 8.655 1.00 0.00 C ATOM 0 HA PRO C 90 -10.916 13.873 11.302 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -10.642 16.611 11.695 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -9.226 15.610 11.439 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -10.724 17.312 9.452 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -8.993 17.156 9.680 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -10.297 15.824 7.697 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -8.877 15.152 8.472 1.00 0.00 H new ATOM 2081 N GLN C 91 -13.418 14.213 10.443 1.00 0.00 N ATOM 2082 CA GLN C 91 -14.864 14.347 10.614 1.00 0.00 C ATOM 2083 C GLN C 91 -15.559 13.135 9.998 1.00 0.00 C ATOM 2084 O GLN C 91 -16.659 12.764 10.409 1.00 0.00 O ATOM 2085 CB GLN C 91 -15.417 15.655 10.002 1.00 0.00 C ATOM 2086 CG GLN C 91 -15.846 15.587 8.536 1.00 0.00 C ATOM 2087 CD GLN C 91 -14.764 15.574 7.564 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -13.593 15.381 7.869 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -15.199 15.660 6.360 1.00 0.00 N ATOM 0 H GLN C 91 -13.144 13.352 9.969 1.00 0.00 H new ATOM 0 HA GLN C 91 -15.070 14.393 11.683 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -16.274 15.975 10.595 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -14.655 16.428 10.100 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -16.449 14.690 8.394 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -16.490 16.441 8.325 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -16.191 15.822 6.186 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -14.553 15.566 5.576 1.00 0.00 H new ATOM 2098 N THR C 92 -14.881 12.537 9.002 1.00 0.00 N ATOM 2099 CA THR C 92 -15.240 11.240 8.407 1.00 0.00 C ATOM 2100 C THR C 92 -16.746 11.080 8.169 1.00 0.00 C ATOM 2101 O THR C 92 -17.314 10.014 8.412 1.00 0.00 O ATOM 2102 CB THR C 92 -14.682 10.049 9.243 1.00 0.00 C ATOM 2103 OG1 THR C 92 -14.923 8.806 8.566 1.00 0.00 O ATOM 2104 CG2 THR C 92 -15.290 9.985 10.640 1.00 0.00 C ATOM 0 H THR C 92 -14.050 12.952 8.580 1.00 0.00 H new ATOM 0 HA THR C 92 -14.765 11.224 7.426 1.00 0.00 H new ATOM 0 HB THR C 92 -13.610 10.215 9.349 1.00 0.00 H new ATOM 0 HG1 THR C 92 -15.850 8.780 8.250 1.00 0.00 H new ATOM 0 HG21 THR C 92 -14.869 9.138 11.182 1.00 0.00 H new ATOM 0 HG22 THR C 92 -15.066 10.907 11.177 1.00 0.00 H new ATOM 0 HG23 THR C 92 -16.370 9.864 10.561 1.00 0.00 H new ATOM 2112 N HIS C 93 -17.375 12.146 7.661 1.00 0.00 N ATOM 2113 CA HIS C 93 -18.807 12.149 7.335 1.00 0.00 C ATOM 2114 C HIS C 93 -19.665 12.116 8.598 1.00 0.00 C ATOM 2115 O HIS C 93 -20.412 13.053 8.880 1.00 0.00 O ATOM 2116 CB HIS C 93 -19.170 10.976 6.421 1.00 0.00 C ATOM 2117 CG HIS C 93 -18.569 11.056 5.049 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -19.307 10.925 3.895 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -17.288 11.246 4.652 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -18.508 11.035 2.849 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -17.276 11.231 3.281 1.00 0.00 N ATOM 0 H HIS C 93 -16.907 13.031 7.464 1.00 0.00 H new ATOM 0 HA HIS C 93 -19.014 13.078 6.804 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -18.847 10.048 6.893 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -20.255 10.925 6.328 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -16.433 11.384 5.297 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -18.812 10.975 1.814 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -16.452 11.351 2.692 1.00 0.00 H new ATOM 2130 N LEU C 94 -19.540 11.038 9.350 1.00 0.00 N ATOM 2131 CA LEU C 94 -20.281 10.850 10.580 1.00 0.00 C ATOM 2132 C LEU C 94 -19.404 10.120 11.593 1.00 0.00 C ATOM 2133 O LEU C 94 -18.682 9.186 11.237 1.00 0.00 O ATOM 2134 CB LEU C 94 -21.582 10.076 10.299 1.00 0.00 C ATOM 2135 CG LEU C 94 -21.424 8.742 9.553 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -21.270 7.584 10.527 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -22.608 8.508 8.629 1.00 0.00 C ATOM 0 H LEU C 94 -18.917 10.264 9.121 1.00 0.00 H new ATOM 0 HA LEU C 94 -20.556 11.818 10.998 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -22.078 9.881 11.250 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -22.245 10.718 9.719 1.00 0.00 H new ATOM 0 HG LEU C 94 -20.517 8.797 8.951 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -21.160 6.653 9.971 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -20.387 7.744 11.145 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -22.153 7.524 11.164 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -22.481 7.559 8.108 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -23.527 8.480 9.215 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -22.667 9.317 7.901 1.00 0.00 H new ATOM 2149 N PRO C 95 -19.422 10.553 12.859 1.00 0.00 N ATOM 2150 CA PRO C 95 -18.619 9.930 13.910 1.00 0.00 C ATOM 2151 C PRO C 95 -19.208 8.595 14.346 1.00 0.00 C ATOM 2152 O PRO C 95 -20.418 8.381 14.250 1.00 0.00 O ATOM 2153 CB PRO C 95 -18.679 10.947 15.048 1.00 0.00 C ATOM 2154 CG PRO C 95 -19.983 11.641 14.860 1.00 0.00 C ATOM 2155 CD PRO C 95 -20.227 11.679 13.373 1.00 0.00 C ATOM 0 HA PRO C 95 -17.603 9.706 13.585 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -18.626 10.458 16.021 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -17.846 11.648 14.998 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -20.785 11.109 15.373 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -19.952 12.648 15.275 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -21.284 11.556 13.137 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -19.912 12.628 12.939 1.00 0.00 H new ATOM 2163 N SER C 96 -18.357 7.703 14.821 1.00 0.00 N ATOM 2164 CA SER C 96 -18.787 6.392 15.234 1.00 0.00 C ATOM 2165 C SER C 96 -17.706 5.737 16.085 1.00 0.00 C ATOM 2166 O SER C 96 -16.520 6.025 15.901 1.00 0.00 O ATOM 2167 CB SER C 96 -19.118 5.530 14.008 1.00 0.00 C ATOM 2168 OG SER C 96 -19.840 4.364 14.366 1.00 0.00 O ATOM 0 H SER C 96 -17.357 7.871 14.928 1.00 0.00 H new ATOM 0 HA SER C 96 -19.691 6.485 15.836 1.00 0.00 H new ATOM 0 HB2 SER C 96 -19.702 6.116 13.298 1.00 0.00 H new ATOM 0 HB3 SER C 96 -18.195 5.246 13.503 1.00 0.00 H new ATOM 0 HG SER C 96 -20.035 3.840 13.561 1.00 0.00 H new ATOM 2174 N GLY C 97 -18.108 4.889 17.025 1.00 0.00 N ATOM 2175 CA GLY C 97 -17.156 4.271 17.933 1.00 0.00 C ATOM 2176 C GLY C 97 -16.028 3.562 17.210 1.00 0.00 C ATOM 2177 O GLY C 97 -14.857 3.921 17.377 1.00 0.00 O ATOM 0 H GLY C 97 -19.079 4.617 17.176 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -16.738 5.035 18.588 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -17.679 3.557 18.569 1.00 0.00 H new ATOM 2181 N ALA C 98 -16.388 2.566 16.400 1.00 0.00 N ATOM 2182 CA ALA C 98 -15.420 1.780 15.635 1.00 0.00 C ATOM 2183 C ALA C 98 -14.408 1.110 16.560 1.00 0.00 C ATOM 2184 O ALA C 98 -13.222 0.998 16.237 1.00 0.00 O ATOM 2185 CB ALA C 98 -14.719 2.647 14.596 1.00 0.00 C ATOM 0 H ALA C 98 -17.357 2.282 16.256 1.00 0.00 H new ATOM 0 HA ALA C 98 -15.963 0.995 15.109 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -14.004 2.041 14.039 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -15.457 3.060 13.909 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -14.194 3.461 15.096 1.00 0.00 H new ATOM 2191 N SER C 99 -14.884 0.674 17.715 1.00 0.00 N ATOM 2192 CA SER C 99 -14.032 0.017 18.687 1.00 0.00 C ATOM 2193 C SER C 99 -14.121 -1.497 18.520 1.00 0.00 C ATOM 2194 O SER C 99 -14.797 -2.187 19.288 1.00 0.00 O ATOM 2195 CB SER C 99 -14.428 0.432 20.100 1.00 0.00 C ATOM 2196 OG SER C 99 -13.484 -0.022 21.054 1.00 0.00 O ATOM 0 H SER C 99 -15.859 0.765 18.001 1.00 0.00 H new ATOM 0 HA SER C 99 -12.999 0.322 18.520 1.00 0.00 H new ATOM 0 HB2 SER C 99 -14.508 1.518 20.153 1.00 0.00 H new ATOM 0 HB3 SER C 99 -15.412 0.027 20.338 1.00 0.00 H new ATOM 0 HG SER C 99 -13.763 0.260 21.950 1.00 0.00 H new ATOM 2202 N SER C 100 -13.439 -2.004 17.506 1.00 0.00 N ATOM 2203 CA SER C 100 -13.445 -3.427 17.207 1.00 0.00 C ATOM 2204 C SER C 100 -12.405 -4.160 18.053 1.00 0.00 C ATOM 2205 O SER C 100 -11.557 -4.891 17.533 1.00 0.00 O ATOM 2206 CB SER C 100 -13.163 -3.636 15.720 1.00 0.00 C ATOM 2207 OG SER C 100 -14.011 -2.818 14.929 1.00 0.00 O ATOM 0 H SER C 100 -12.869 -1.445 16.871 1.00 0.00 H new ATOM 0 HA SER C 100 -14.426 -3.836 17.448 1.00 0.00 H new ATOM 0 HB2 SER C 100 -12.120 -3.401 15.506 1.00 0.00 H new ATOM 0 HB3 SER C 100 -13.314 -4.684 15.460 1.00 0.00 H new ATOM 0 HG SER C 100 -13.815 -2.964 13.980 1.00 0.00 H new ATOM 2213 N GLY C 101 -12.475 -3.959 19.360 1.00 0.00 N ATOM 2214 CA GLY C 101 -11.526 -4.565 20.263 1.00 0.00 C ATOM 2215 C GLY C 101 -11.934 -4.359 21.701 1.00 0.00 C ATOM 2216 O GLY C 101 -13.150 -4.278 21.965 1.00 0.00 O ATOM 2217 OXT GLY C 101 -11.049 -4.253 22.573 1.00 0.00 O ATOM 0 H GLY C 101 -13.182 -3.380 19.813 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -11.450 -5.632 20.053 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -10.538 -4.136 20.098 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.767 -2.738 -3.216 1.00 0.00 ZN