USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 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 NoAdj-H: A 42 HIS HD1 : A 42 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.824 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00218 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 49:sc= 0.579 USER MOD Single : A 17 SER OG : rot 37:sc= 0.644 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 31 ASN : amide:sc= -6.02! C(o=-6!,f=-5.8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -110:sc= -0.212 USER MOD Single : A 46 SER OG : rot 82:sc= 0.136 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 70:sc= -0.172 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc=-0.00801 (180deg=-0.148) USER MOD Single : A 55 ASN : amide:sc= 0.137 X(o=0.14,f=-0.11) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= -0.0103 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00576) USER MOD Single : A 67 ASN : amide:sc= -0.62 X(o=-0.62,f=-0.52) USER MOD Single : A 68 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.048) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.679 -22.886 -14.756 1.00 0.00 N ATOM 2 CA GLY A 1 -12.991 -23.454 -14.505 1.00 0.00 C ATOM 3 C GLY A 1 -14.046 -22.392 -14.266 1.00 0.00 C ATOM 4 O GLY A 1 -14.219 -21.484 -15.080 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.993 -23.652 -14.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.719 -22.279 -15.599 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.383 -22.320 -13.935 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.286 -24.070 -15.355 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.939 -24.112 -13.637 1.00 0.00 H new ATOM 8 N SER A 2 -14.756 -22.506 -13.148 1.00 0.00 N ATOM 9 CA SER A 2 -15.804 -21.551 -12.808 1.00 0.00 C ATOM 10 C SER A 2 -16.088 -21.568 -11.309 1.00 0.00 C ATOM 11 O SER A 2 -15.674 -22.484 -10.598 1.00 0.00 O ATOM 12 CB SER A 2 -17.084 -21.867 -13.584 1.00 0.00 C ATOM 13 OG SER A 2 -16.974 -21.456 -14.936 1.00 0.00 O ATOM 0 H SER A 2 -14.625 -23.250 -12.463 1.00 0.00 H new ATOM 0 HA SER A 2 -15.457 -20.555 -13.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.284 -22.938 -13.541 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.931 -21.365 -13.116 1.00 0.00 H new ATOM 0 HG SER A 2 -16.036 -21.264 -15.144 1.00 0.00 H new ATOM 19 N SER A 3 -16.798 -20.549 -10.836 1.00 0.00 N ATOM 20 CA SER A 3 -17.135 -20.443 -9.421 1.00 0.00 C ATOM 21 C SER A 3 -18.443 -21.169 -9.119 1.00 0.00 C ATOM 22 O SER A 3 -18.531 -21.941 -8.165 1.00 0.00 O ATOM 23 CB SER A 3 -17.247 -18.974 -9.010 1.00 0.00 C ATOM 24 OG SER A 3 -18.165 -18.281 -9.838 1.00 0.00 O ATOM 0 H SER A 3 -17.151 -19.785 -11.412 1.00 0.00 H new ATOM 0 HA SER A 3 -16.337 -20.913 -8.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.568 -18.907 -7.971 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.267 -18.500 -9.072 1.00 0.00 H new ATOM 0 HG SER A 3 -18.220 -17.345 -9.554 1.00 0.00 H new ATOM 30 N GLY A 4 -19.458 -20.914 -9.939 1.00 0.00 N ATOM 31 CA GLY A 4 -20.748 -21.549 -9.744 1.00 0.00 C ATOM 32 C GLY A 4 -21.310 -21.306 -8.357 1.00 0.00 C ATOM 33 O GLY A 4 -21.181 -20.210 -7.811 1.00 0.00 O ATOM 0 H GLY A 4 -19.410 -20.278 -10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.450 -21.174 -10.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.650 -22.622 -9.910 1.00 0.00 H new ATOM 37 N SER A 5 -21.936 -22.330 -7.787 1.00 0.00 N ATOM 38 CA SER A 5 -22.525 -22.221 -6.457 1.00 0.00 C ATOM 39 C SER A 5 -21.470 -21.832 -5.426 1.00 0.00 C ATOM 40 O SER A 5 -20.274 -21.834 -5.715 1.00 0.00 O ATOM 41 CB SER A 5 -23.183 -23.543 -6.057 1.00 0.00 C ATOM 42 OG SER A 5 -24.317 -23.813 -6.864 1.00 0.00 O ATOM 0 H SER A 5 -22.049 -23.244 -8.225 1.00 0.00 H new ATOM 0 HA SER A 5 -23.285 -21.440 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.463 -24.355 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.480 -23.503 -5.009 1.00 0.00 H new ATOM 0 HG SER A 5 -24.719 -24.664 -6.590 1.00 0.00 H new ATOM 48 N SER A 6 -21.924 -21.500 -4.221 1.00 0.00 N ATOM 49 CA SER A 6 -21.020 -21.105 -3.147 1.00 0.00 C ATOM 50 C SER A 6 -21.107 -22.081 -1.978 1.00 0.00 C ATOM 51 O SER A 6 -20.188 -22.863 -1.737 1.00 0.00 O ATOM 52 CB SER A 6 -21.350 -19.689 -2.670 1.00 0.00 C ATOM 53 OG SER A 6 -20.927 -19.491 -1.332 1.00 0.00 O ATOM 0 H SER A 6 -22.911 -21.497 -3.965 1.00 0.00 H new ATOM 0 HA SER A 6 -20.002 -21.122 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.865 -18.961 -3.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 -22.424 -19.518 -2.745 1.00 0.00 H new ATOM 0 HG SER A 6 -21.147 -18.578 -1.051 1.00 0.00 H new ATOM 59 N GLY A 7 -22.221 -22.029 -1.253 1.00 0.00 N ATOM 60 CA GLY A 7 -22.409 -22.913 -0.117 1.00 0.00 C ATOM 61 C GLY A 7 -21.664 -22.440 1.115 1.00 0.00 C ATOM 62 O GLY A 7 -20.849 -23.173 1.677 1.00 0.00 O ATOM 0 H GLY A 7 -22.996 -21.391 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.472 -22.986 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -22.070 -23.915 -0.380 1.00 0.00 H new ATOM 66 N THR A 8 -21.941 -21.210 1.537 1.00 0.00 N ATOM 67 CA THR A 8 -21.289 -20.639 2.709 1.00 0.00 C ATOM 68 C THR A 8 -19.774 -20.788 2.622 1.00 0.00 C ATOM 69 O THR A 8 -19.133 -21.264 3.558 1.00 0.00 O ATOM 70 CB THR A 8 -21.785 -21.303 4.007 1.00 0.00 C ATOM 71 OG1 THR A 8 -23.216 -21.354 4.015 1.00 0.00 O ATOM 72 CG2 THR A 8 -21.293 -20.539 5.227 1.00 0.00 C ATOM 0 H THR A 8 -22.613 -20.590 1.084 1.00 0.00 H new ATOM 0 HA THR A 8 -21.547 -19.580 2.730 1.00 0.00 H new ATOM 0 HB THR A 8 -21.386 -22.316 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 8 -23.524 -21.779 4.843 1.00 0.00 H new ATOM 0 HG21 THR A 8 -21.656 -21.026 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 8 -20.203 -20.527 5.233 1.00 0.00 H new ATOM 0 HG23 THR A 8 -21.667 -19.516 5.191 1.00 0.00 H new ATOM 80 N GLY A 9 -19.207 -20.377 1.491 1.00 0.00 N ATOM 81 CA GLY A 9 -17.771 -20.473 1.304 1.00 0.00 C ATOM 82 C GLY A 9 -17.169 -19.188 0.773 1.00 0.00 C ATOM 83 O GLY A 9 -16.971 -19.038 -0.433 1.00 0.00 O ATOM 0 H GLY A 9 -19.716 -19.980 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -17.300 -20.726 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -17.551 -21.287 0.613 1.00 0.00 H new ATOM 87 N LEU A 10 -16.877 -18.256 1.674 1.00 0.00 N ATOM 88 CA LEU A 10 -16.295 -16.975 1.290 1.00 0.00 C ATOM 89 C LEU A 10 -14.808 -17.123 0.984 1.00 0.00 C ATOM 90 O LEU A 10 -14.001 -17.368 1.881 1.00 0.00 O ATOM 91 CB LEU A 10 -16.499 -15.946 2.403 1.00 0.00 C ATOM 92 CG LEU A 10 -17.898 -15.337 2.506 1.00 0.00 C ATOM 93 CD1 LEU A 10 -18.147 -14.807 3.909 1.00 0.00 C ATOM 94 CD2 LEU A 10 -18.075 -14.230 1.477 1.00 0.00 C ATOM 0 H LEU A 10 -17.034 -18.364 2.676 1.00 0.00 H new ATOM 0 HA LEU A 10 -16.800 -16.630 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -16.259 -16.418 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.782 -15.138 2.259 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.630 -16.118 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.147 -14.377 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.063 -15.623 4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -17.409 -14.040 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -19.076 -13.808 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -17.335 -13.449 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -17.940 -14.639 0.476 1.00 0.00 H new ATOM 106 N ARG A 11 -14.452 -16.969 -0.287 1.00 0.00 N ATOM 107 CA ARG A 11 -13.062 -17.084 -0.711 1.00 0.00 C ATOM 108 C ARG A 11 -12.483 -15.715 -1.054 1.00 0.00 C ATOM 109 O ARG A 11 -12.765 -15.140 -2.105 1.00 0.00 O ATOM 110 CB ARG A 11 -12.951 -18.014 -1.920 1.00 0.00 C ATOM 111 CG ARG A 11 -13.806 -17.584 -3.101 1.00 0.00 C ATOM 112 CD ARG A 11 -13.871 -18.667 -4.166 1.00 0.00 C ATOM 113 NE ARG A 11 -14.062 -18.109 -5.502 1.00 0.00 N ATOM 114 CZ ARG A 11 -13.834 -18.788 -6.621 1.00 0.00 C ATOM 115 NH1 ARG A 11 -13.409 -20.043 -6.565 1.00 0.00 N ATOM 116 NH2 ARG A 11 -14.032 -18.212 -7.800 1.00 0.00 N ATOM 0 H ARG A 11 -15.107 -16.764 -1.041 1.00 0.00 H new ATOM 0 HA ARG A 11 -12.490 -17.504 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.909 -18.063 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.241 -19.021 -1.620 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -14.813 -17.350 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.398 -16.671 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.951 -19.252 -4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.689 -19.351 -3.938 1.00 0.00 H new ATOM 0 HE ARG A 11 -14.388 -17.146 -5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.256 -20.490 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.235 -20.561 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.359 -17.247 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.857 -18.734 -8.659 1.00 0.00 H new ATOM 130 N PRO A 12 -11.654 -15.178 -0.146 1.00 0.00 N ATOM 131 CA PRO A 12 -11.018 -13.870 -0.330 1.00 0.00 C ATOM 132 C PRO A 12 -9.961 -13.889 -1.429 1.00 0.00 C ATOM 133 O PRO A 12 -8.938 -14.563 -1.308 1.00 0.00 O ATOM 134 CB PRO A 12 -10.371 -13.596 1.030 1.00 0.00 C ATOM 135 CG PRO A 12 -10.143 -14.945 1.620 1.00 0.00 C ATOM 136 CD PRO A 12 -11.273 -15.808 1.130 1.00 0.00 C ATOM 0 HA PRO A 12 -11.734 -13.108 -0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.435 -13.049 0.920 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.021 -12.992 1.663 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.180 -15.349 1.309 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.132 -14.898 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -10.957 -16.842 0.989 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -12.104 -15.821 1.836 1.00 0.00 H new ATOM 144 N SER A 13 -10.215 -13.145 -2.501 1.00 0.00 N ATOM 145 CA SER A 13 -9.286 -13.079 -3.623 1.00 0.00 C ATOM 146 C SER A 13 -8.081 -12.207 -3.281 1.00 0.00 C ATOM 147 O SER A 13 -8.104 -10.993 -3.479 1.00 0.00 O ATOM 148 CB SER A 13 -9.991 -12.530 -4.865 1.00 0.00 C ATOM 149 OG SER A 13 -9.246 -12.807 -6.038 1.00 0.00 O ATOM 0 H SER A 13 -11.056 -12.580 -2.616 1.00 0.00 H new ATOM 0 HA SER A 13 -8.934 -14.089 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.984 -12.971 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.128 -11.453 -4.763 1.00 0.00 H new ATOM 0 HG SER A 13 -9.718 -12.447 -6.818 1.00 0.00 H new ATOM 155 N GLY A 14 -7.030 -12.836 -2.765 1.00 0.00 N ATOM 156 CA GLY A 14 -5.831 -12.104 -2.402 1.00 0.00 C ATOM 157 C GLY A 14 -5.643 -12.005 -0.902 1.00 0.00 C ATOM 158 O GLY A 14 -6.612 -12.043 -0.142 1.00 0.00 O ATOM 0 H GLY A 14 -6.987 -13.840 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.963 -12.594 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.879 -11.101 -2.826 1.00 0.00 H new ATOM 162 N THR A 15 -4.392 -11.878 -0.470 1.00 0.00 N ATOM 163 CA THR A 15 -4.079 -11.776 0.949 1.00 0.00 C ATOM 164 C THR A 15 -3.694 -10.350 1.327 1.00 0.00 C ATOM 165 O THR A 15 -2.514 -10.000 1.350 1.00 0.00 O ATOM 166 CB THR A 15 -2.932 -12.727 1.342 1.00 0.00 C ATOM 167 OG1 THR A 15 -1.787 -12.478 0.519 1.00 0.00 O ATOM 168 CG2 THR A 15 -3.360 -14.179 1.199 1.00 0.00 C ATOM 0 H THR A 15 -3.578 -11.843 -1.084 1.00 0.00 H new ATOM 0 HA THR A 15 -4.980 -12.062 1.492 1.00 0.00 H new ATOM 0 HB THR A 15 -2.677 -12.542 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.596 -11.517 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.534 -14.831 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.214 -14.372 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.639 -14.376 0.164 1.00 0.00 H new ATOM 176 N VAL A 16 -4.698 -9.530 1.624 1.00 0.00 N ATOM 177 CA VAL A 16 -4.464 -8.142 2.002 1.00 0.00 C ATOM 178 C VAL A 16 -4.862 -7.893 3.453 1.00 0.00 C ATOM 179 O VAL A 16 -6.033 -8.013 3.814 1.00 0.00 O ATOM 180 CB VAL A 16 -5.243 -7.173 1.094 1.00 0.00 C ATOM 181 CG1 VAL A 16 -4.800 -7.325 -0.354 1.00 0.00 C ATOM 182 CG2 VAL A 16 -6.741 -7.406 1.228 1.00 0.00 C ATOM 0 H VAL A 16 -5.681 -9.804 1.610 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.396 -7.958 1.884 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.027 -6.153 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.361 -6.632 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.735 -7.105 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.985 -8.347 -0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.277 -6.713 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.977 -8.430 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.044 -7.243 2.262 1.00 0.00 H new ATOM 192 N SER A 17 -3.881 -7.546 4.279 1.00 0.00 N ATOM 193 CA SER A 17 -4.129 -7.283 5.692 1.00 0.00 C ATOM 194 C SER A 17 -3.584 -5.916 6.094 1.00 0.00 C ATOM 195 O SER A 17 -2.372 -5.712 6.158 1.00 0.00 O ATOM 196 CB SER A 17 -3.490 -8.373 6.555 1.00 0.00 C ATOM 197 OG SER A 17 -2.096 -8.459 6.319 1.00 0.00 O ATOM 0 H SER A 17 -2.907 -7.440 3.995 1.00 0.00 H new ATOM 0 HA SER A 17 -5.207 -7.287 5.853 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.671 -8.160 7.608 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.958 -9.333 6.339 1.00 0.00 H new ATOM 0 HG SER A 17 -1.734 -7.561 6.169 1.00 0.00 H new ATOM 203 N CYS A 18 -4.490 -4.982 6.364 1.00 0.00 N ATOM 204 CA CYS A 18 -4.102 -3.633 6.760 1.00 0.00 C ATOM 205 C CYS A 18 -4.194 -3.462 8.273 1.00 0.00 C ATOM 206 O CYS A 18 -5.241 -3.676 8.885 1.00 0.00 O ATOM 207 CB CYS A 18 -4.992 -2.600 6.065 1.00 0.00 C ATOM 208 SG CYS A 18 -4.664 -0.879 6.565 1.00 0.00 S ATOM 0 H CYS A 18 -5.497 -5.134 6.316 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.067 -3.476 6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.856 -2.686 4.987 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.035 -2.835 6.275 1.00 0.00 H new ATOM 213 N PRO A 19 -3.071 -3.068 8.893 1.00 0.00 N ATOM 214 CA PRO A 19 -2.999 -2.860 10.342 1.00 0.00 C ATOM 215 C PRO A 19 -3.793 -1.638 10.793 1.00 0.00 C ATOM 216 O PRO A 19 -4.242 -1.566 11.937 1.00 0.00 O ATOM 217 CB PRO A 19 -1.504 -2.649 10.596 1.00 0.00 C ATOM 218 CG PRO A 19 -0.969 -2.137 9.303 1.00 0.00 C ATOM 219 CD PRO A 19 -1.787 -2.796 8.227 1.00 0.00 C ATOM 0 HA PRO A 19 -3.426 -3.696 10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.336 -1.937 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.016 -3.580 10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.053 -1.052 9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.088 -2.380 9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.913 -2.145 7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.317 -3.713 7.870 1.00 0.00 H new ATOM 227 N ILE A 20 -3.962 -0.681 9.886 1.00 0.00 N ATOM 228 CA ILE A 20 -4.704 0.536 10.191 1.00 0.00 C ATOM 229 C ILE A 20 -6.162 0.225 10.513 1.00 0.00 C ATOM 230 O ILE A 20 -6.619 0.434 11.637 1.00 0.00 O ATOM 231 CB ILE A 20 -4.650 1.536 9.021 1.00 0.00 C ATOM 232 CG1 ILE A 20 -3.197 1.829 8.639 1.00 0.00 C ATOM 233 CG2 ILE A 20 -5.377 2.821 9.388 1.00 0.00 C ATOM 234 CD1 ILE A 20 -2.386 2.429 9.766 1.00 0.00 C ATOM 0 H ILE A 20 -3.595 -0.725 8.935 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.230 0.985 11.064 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.150 1.093 8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.722 0.904 8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.184 2.511 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.330 3.517 8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.419 2.597 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.903 3.270 10.261 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.367 2.610 9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.837 3.371 10.078 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.368 1.739 10.609 1.00 0.00 H new ATOM 246 N CYS A 21 -6.887 -0.276 9.518 1.00 0.00 N ATOM 247 CA CYS A 21 -8.294 -0.617 9.694 1.00 0.00 C ATOM 248 C CYS A 21 -8.444 -2.010 10.299 1.00 0.00 C ATOM 249 O CYS A 21 -9.475 -2.335 10.886 1.00 0.00 O ATOM 250 CB CYS A 21 -9.028 -0.548 8.354 1.00 0.00 C ATOM 251 SG CYS A 21 -8.171 -1.402 6.992 1.00 0.00 S ATOM 0 H CYS A 21 -6.524 -0.455 8.582 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.735 0.107 10.379 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.021 -0.982 8.473 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.168 0.498 8.082 1.00 0.00 H new ATOM 256 N MET A 22 -7.407 -2.828 10.150 1.00 0.00 N ATOM 257 CA MET A 22 -7.423 -4.186 10.682 1.00 0.00 C ATOM 258 C MET A 22 -8.649 -4.949 10.189 1.00 0.00 C ATOM 259 O MET A 22 -9.333 -5.613 10.968 1.00 0.00 O ATOM 260 CB MET A 22 -7.407 -4.157 12.212 1.00 0.00 C ATOM 261 CG MET A 22 -6.010 -4.059 12.803 1.00 0.00 C ATOM 262 SD MET A 22 -5.952 -4.559 14.534 1.00 0.00 S ATOM 263 CE MET A 22 -4.787 -5.917 14.455 1.00 0.00 C ATOM 0 H MET A 22 -6.546 -2.575 9.666 1.00 0.00 H new ATOM 0 HA MET A 22 -6.530 -4.700 10.326 1.00 0.00 H new ATOM 0 HB2 MET A 22 -7.999 -3.310 12.557 1.00 0.00 H new ATOM 0 HB3 MET A 22 -7.890 -5.058 12.589 1.00 0.00 H new ATOM 0 HG2 MET A 22 -5.330 -4.685 12.225 1.00 0.00 H new ATOM 0 HG3 MET A 22 -5.653 -3.033 12.713 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.645 -6.333 15.452 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.174 -6.690 13.791 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.832 -5.555 14.074 1.00 0.00 H new ATOM 273 N ASP A 23 -8.920 -4.849 8.893 1.00 0.00 N ATOM 274 CA ASP A 23 -10.063 -5.530 8.296 1.00 0.00 C ATOM 275 C ASP A 23 -9.633 -6.358 7.088 1.00 0.00 C ATOM 276 O ASP A 23 -8.449 -6.431 6.763 1.00 0.00 O ATOM 277 CB ASP A 23 -11.129 -4.515 7.881 1.00 0.00 C ATOM 278 CG ASP A 23 -11.976 -4.053 9.050 1.00 0.00 C ATOM 279 OD1 ASP A 23 -12.897 -4.797 9.446 1.00 0.00 O ATOM 280 OD2 ASP A 23 -11.717 -2.947 9.570 1.00 0.00 O ATOM 0 H ASP A 23 -8.364 -4.303 8.235 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.484 -6.203 9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.646 -3.652 7.423 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.774 -4.959 7.122 1.00 0.00 H new ATOM 285 N GLY A 24 -10.604 -6.981 6.428 1.00 0.00 N ATOM 286 CA GLY A 24 -10.306 -7.796 5.265 1.00 0.00 C ATOM 287 C GLY A 24 -10.469 -7.033 3.965 1.00 0.00 C ATOM 288 O GLY A 24 -10.722 -5.828 3.972 1.00 0.00 O ATOM 0 H GLY A 24 -11.592 -6.936 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -9.284 -8.169 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.963 -8.666 5.257 1.00 0.00 H new ATOM 292 N TYR A 25 -10.322 -7.735 2.847 1.00 0.00 N ATOM 293 CA TYR A 25 -10.450 -7.116 1.533 1.00 0.00 C ATOM 294 C TYR A 25 -11.884 -6.657 1.285 1.00 0.00 C ATOM 295 O TYR A 25 -12.129 -5.494 0.966 1.00 0.00 O ATOM 296 CB TYR A 25 -10.020 -8.095 0.440 1.00 0.00 C ATOM 297 CG TYR A 25 -10.158 -7.539 -0.959 1.00 0.00 C ATOM 298 CD1 TYR A 25 -9.273 -6.581 -1.438 1.00 0.00 C ATOM 299 CD2 TYR A 25 -11.175 -7.971 -1.802 1.00 0.00 C ATOM 300 CE1 TYR A 25 -9.396 -6.070 -2.715 1.00 0.00 C ATOM 301 CE2 TYR A 25 -11.304 -7.467 -3.082 1.00 0.00 C ATOM 302 CZ TYR A 25 -10.413 -6.516 -3.534 1.00 0.00 C ATOM 303 OH TYR A 25 -10.539 -6.010 -4.807 1.00 0.00 O ATOM 0 H TYR A 25 -10.114 -8.733 2.824 1.00 0.00 H new ATOM 0 HA TYR A 25 -9.798 -6.243 1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.982 -8.381 0.608 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.617 -9.003 0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.475 -6.230 -0.801 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.876 -8.713 -1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.700 -5.325 -3.071 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.098 -7.816 -3.725 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.305 -6.430 -5.252 1.00 0.00 H new ATOM 313 N SER A 26 -12.828 -7.580 1.436 1.00 0.00 N ATOM 314 CA SER A 26 -14.238 -7.273 1.225 1.00 0.00 C ATOM 315 C SER A 26 -14.643 -6.022 1.999 1.00 0.00 C ATOM 316 O SER A 26 -15.409 -5.196 1.505 1.00 0.00 O ATOM 317 CB SER A 26 -15.109 -8.456 1.654 1.00 0.00 C ATOM 318 OG SER A 26 -16.482 -8.104 1.657 1.00 0.00 O ATOM 0 H SER A 26 -12.642 -8.547 1.704 1.00 0.00 H new ATOM 0 HA SER A 26 -14.389 -7.086 0.162 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.947 -9.295 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.813 -8.787 2.649 1.00 0.00 H new ATOM 0 HG SER A 26 -17.017 -8.877 1.933 1.00 0.00 H new ATOM 324 N GLU A 27 -14.122 -5.892 3.215 1.00 0.00 N ATOM 325 CA GLU A 27 -14.430 -4.742 4.058 1.00 0.00 C ATOM 326 C GLU A 27 -13.877 -3.457 3.449 1.00 0.00 C ATOM 327 O GLU A 27 -14.543 -2.422 3.447 1.00 0.00 O ATOM 328 CB GLU A 27 -13.856 -4.943 5.462 1.00 0.00 C ATOM 329 CG GLU A 27 -14.598 -4.170 6.539 1.00 0.00 C ATOM 330 CD GLU A 27 -14.161 -2.720 6.622 1.00 0.00 C ATOM 331 OE1 GLU A 27 -12.998 -2.429 6.276 1.00 0.00 O ATOM 332 OE2 GLU A 27 -14.985 -1.876 7.034 1.00 0.00 O ATOM 0 H GLU A 27 -13.486 -6.568 3.638 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.514 -4.653 4.126 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.880 -6.005 5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.809 -4.639 5.464 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.669 -4.212 6.339 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.435 -4.651 7.504 1.00 0.00 H new ATOM 339 N ILE A 28 -12.654 -3.533 2.934 1.00 0.00 N ATOM 340 CA ILE A 28 -12.011 -2.376 2.322 1.00 0.00 C ATOM 341 C ILE A 28 -12.719 -1.971 1.034 1.00 0.00 C ATOM 342 O ILE A 28 -13.024 -0.797 0.823 1.00 0.00 O ATOM 343 CB ILE A 28 -10.528 -2.655 2.013 1.00 0.00 C ATOM 344 CG1 ILE A 28 -9.759 -2.936 3.306 1.00 0.00 C ATOM 345 CG2 ILE A 28 -9.912 -1.479 1.269 1.00 0.00 C ATOM 346 CD1 ILE A 28 -8.456 -3.671 3.087 1.00 0.00 C ATOM 0 H ILE A 28 -12.089 -4.382 2.928 1.00 0.00 H new ATOM 0 HA ILE A 28 -12.077 -1.560 3.042 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.464 -3.537 1.376 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.554 -1.991 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.390 -3.523 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.864 -1.691 1.058 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.446 -1.321 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.984 -0.582 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.965 -3.836 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -8.655 -4.631 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.806 -3.076 2.445 1.00 0.00 H new ATOM 358 N VAL A 29 -12.980 -2.952 0.175 1.00 0.00 N ATOM 359 CA VAL A 29 -13.656 -2.699 -1.092 1.00 0.00 C ATOM 360 C VAL A 29 -15.097 -2.254 -0.867 1.00 0.00 C ATOM 361 O VAL A 29 -15.571 -1.312 -1.501 1.00 0.00 O ATOM 362 CB VAL A 29 -13.650 -3.949 -1.991 1.00 0.00 C ATOM 363 CG1 VAL A 29 -12.233 -4.286 -2.429 1.00 0.00 C ATOM 364 CG2 VAL A 29 -14.288 -5.127 -1.269 1.00 0.00 C ATOM 0 H VAL A 29 -12.733 -3.929 0.334 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.106 -1.900 -1.590 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.239 -3.736 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.249 -5.172 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.816 -3.448 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.617 -4.480 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.275 -6.002 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.728 -5.343 -0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -15.318 -4.881 -1.011 1.00 0.00 H new ATOM 374 N GLN A 30 -15.787 -2.938 0.039 1.00 0.00 N ATOM 375 CA GLN A 30 -17.174 -2.614 0.347 1.00 0.00 C ATOM 376 C GLN A 30 -17.419 -1.112 0.240 1.00 0.00 C ATOM 377 O GLN A 30 -18.248 -0.663 -0.551 1.00 0.00 O ATOM 378 CB GLN A 30 -17.535 -3.102 1.751 1.00 0.00 C ATOM 379 CG GLN A 30 -18.104 -4.511 1.778 1.00 0.00 C ATOM 380 CD GLN A 30 -19.596 -4.543 1.513 1.00 0.00 C ATOM 381 OE1 GLN A 30 -20.377 -3.899 2.214 1.00 0.00 O ATOM 382 NE2 GLN A 30 -20.001 -5.294 0.495 1.00 0.00 N ATOM 0 H GLN A 30 -15.408 -3.720 0.573 1.00 0.00 H new ATOM 0 HA GLN A 30 -17.809 -3.120 -0.380 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -16.645 -3.067 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.261 -2.417 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -17.593 -5.119 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.902 -4.962 2.750 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -19.319 -5.811 -0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -20.994 -5.353 0.268 1.00 0.00 H new ATOM 391 N ASN A 31 -16.691 -0.340 1.041 1.00 0.00 N ATOM 392 CA ASN A 31 -16.830 1.112 1.036 1.00 0.00 C ATOM 393 C ASN A 31 -16.469 1.688 -0.329 1.00 0.00 C ATOM 394 O ASN A 31 -17.132 2.597 -0.826 1.00 0.00 O ATOM 395 CB ASN A 31 -15.942 1.733 2.116 1.00 0.00 C ATOM 396 CG ASN A 31 -14.586 1.060 2.208 1.00 0.00 C ATOM 397 OD1 ASN A 31 -13.639 1.451 1.526 1.00 0.00 O ATOM 398 ND2 ASN A 31 -14.488 0.041 3.053 1.00 0.00 N ATOM 0 H ASN A 31 -15.999 -0.695 1.701 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.871 1.354 1.248 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.805 2.793 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.445 1.663 3.080 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.601 -0.452 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.300 -0.249 3.599 1.00 0.00 H new ATOM 405 N GLY A 32 -15.411 1.152 -0.931 1.00 0.00 N ATOM 406 CA GLY A 32 -14.980 1.625 -2.234 1.00 0.00 C ATOM 407 C GLY A 32 -13.588 2.224 -2.201 1.00 0.00 C ATOM 408 O GLY A 32 -13.387 3.367 -2.614 1.00 0.00 O ATOM 0 H GLY A 32 -14.845 0.399 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.999 0.797 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -15.685 2.372 -2.598 1.00 0.00 H new ATOM 412 N ARG A 33 -12.625 1.453 -1.708 1.00 0.00 N ATOM 413 CA ARG A 33 -11.245 1.916 -1.620 1.00 0.00 C ATOM 414 C ARG A 33 -10.321 1.032 -2.452 1.00 0.00 C ATOM 415 O ARG A 33 -10.748 0.020 -3.010 1.00 0.00 O ATOM 416 CB ARG A 33 -10.781 1.928 -0.163 1.00 0.00 C ATOM 417 CG ARG A 33 -11.398 3.044 0.664 1.00 0.00 C ATOM 418 CD ARG A 33 -10.563 4.313 0.600 1.00 0.00 C ATOM 419 NE ARG A 33 -10.545 4.889 -0.742 1.00 0.00 N ATOM 420 CZ ARG A 33 -11.588 5.497 -1.295 1.00 0.00 C ATOM 421 NH1 ARG A 33 -12.726 5.609 -0.624 1.00 0.00 N ATOM 422 NH2 ARG A 33 -11.494 5.996 -2.521 1.00 0.00 N ATOM 0 H ARG A 33 -12.775 0.505 -1.363 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.203 2.931 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.026 0.970 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.696 2.026 -0.137 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.405 3.252 0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.491 2.721 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.961 5.045 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.543 4.092 0.913 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.684 4.820 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.802 5.228 0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.526 6.076 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.620 5.913 -3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.296 6.463 -2.945 1.00 0.00 H new ATOM 436 N LEU A 34 -9.053 1.421 -2.533 1.00 0.00 N ATOM 437 CA LEU A 34 -8.068 0.665 -3.298 1.00 0.00 C ATOM 438 C LEU A 34 -7.038 0.022 -2.375 1.00 0.00 C ATOM 439 O LEU A 34 -6.820 0.486 -1.255 1.00 0.00 O ATOM 440 CB LEU A 34 -7.367 1.576 -4.307 1.00 0.00 C ATOM 441 CG LEU A 34 -8.063 1.741 -5.659 1.00 0.00 C ATOM 442 CD1 LEU A 34 -7.737 3.097 -6.265 1.00 0.00 C ATOM 443 CD2 LEU A 34 -7.659 0.621 -6.606 1.00 0.00 C ATOM 0 H LEU A 34 -8.683 2.256 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.592 -0.126 -3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.252 2.562 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.364 1.187 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.140 1.686 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.241 3.196 -7.226 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.076 3.886 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.660 3.182 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.163 0.754 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.580 0.645 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.944 -0.339 -6.176 1.00 0.00 H new ATOM 455 N ILE A 35 -6.407 -1.045 -2.852 1.00 0.00 N ATOM 456 CA ILE A 35 -5.397 -1.748 -2.071 1.00 0.00 C ATOM 457 C ILE A 35 -3.991 -1.351 -2.505 1.00 0.00 C ATOM 458 O ILE A 35 -3.569 -1.644 -3.624 1.00 0.00 O ATOM 459 CB ILE A 35 -5.550 -3.275 -2.198 1.00 0.00 C ATOM 460 CG1 ILE A 35 -6.955 -3.706 -1.771 1.00 0.00 C ATOM 461 CG2 ILE A 35 -4.495 -3.984 -1.362 1.00 0.00 C ATOM 462 CD1 ILE A 35 -7.222 -3.518 -0.294 1.00 0.00 C ATOM 0 H ILE A 35 -6.577 -1.442 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.547 -1.461 -1.030 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.406 -3.555 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.690 -3.136 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.098 -4.756 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.616 -5.063 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.502 -3.697 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.610 -3.701 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.236 -3.844 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.511 -4.109 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.112 -2.465 -0.036 1.00 0.00 H new ATOM 474 N VAL A 36 -3.267 -0.684 -1.611 1.00 0.00 N ATOM 475 CA VAL A 36 -1.906 -0.249 -1.901 1.00 0.00 C ATOM 476 C VAL A 36 -0.891 -1.036 -1.079 1.00 0.00 C ATOM 477 O VAL A 36 -1.216 -1.572 -0.019 1.00 0.00 O ATOM 478 CB VAL A 36 -1.724 1.254 -1.617 1.00 0.00 C ATOM 479 CG1 VAL A 36 -2.587 2.082 -2.557 1.00 0.00 C ATOM 480 CG2 VAL A 36 -2.053 1.565 -0.165 1.00 0.00 C ATOM 0 H VAL A 36 -3.601 -0.433 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.734 -0.434 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.681 1.517 -1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.446 3.141 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.299 1.879 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.635 1.819 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.919 2.631 0.018 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.087 1.289 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.389 0.999 0.488 1.00 0.00 H new ATOM 490 N SER A 37 0.340 -1.102 -1.575 1.00 0.00 N ATOM 491 CA SER A 37 1.403 -1.827 -0.888 1.00 0.00 C ATOM 492 C SER A 37 2.642 -0.951 -0.728 1.00 0.00 C ATOM 493 O SER A 37 3.076 -0.289 -1.672 1.00 0.00 O ATOM 494 CB SER A 37 1.761 -3.100 -1.658 1.00 0.00 C ATOM 495 OG SER A 37 0.798 -4.117 -1.436 1.00 0.00 O ATOM 0 H SER A 37 0.626 -0.662 -2.450 1.00 0.00 H new ATOM 0 HA SER A 37 1.041 -2.100 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.823 -2.879 -2.724 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.745 -3.452 -1.348 1.00 0.00 H new ATOM 0 HG SER A 37 1.048 -4.920 -1.940 1.00 0.00 H new ATOM 501 N THR A 38 3.209 -0.953 0.474 1.00 0.00 N ATOM 502 CA THR A 38 4.397 -0.159 0.760 1.00 0.00 C ATOM 503 C THR A 38 5.668 -0.923 0.405 1.00 0.00 C ATOM 504 O THR A 38 5.745 -2.137 0.589 1.00 0.00 O ATOM 505 CB THR A 38 4.456 0.249 2.244 1.00 0.00 C ATOM 506 OG1 THR A 38 3.950 -0.810 3.064 1.00 0.00 O ATOM 507 CG2 THR A 38 3.650 1.516 2.489 1.00 0.00 C ATOM 0 H THR A 38 2.864 -1.496 1.266 1.00 0.00 H new ATOM 0 HA THR A 38 4.332 0.739 0.146 1.00 0.00 H new ATOM 0 HB THR A 38 5.497 0.443 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.087 -0.544 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.706 1.785 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.056 2.328 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.609 1.344 2.213 1.00 0.00 H new ATOM 515 N GLU A 39 6.662 -0.203 -0.106 1.00 0.00 N ATOM 516 CA GLU A 39 7.930 -0.815 -0.487 1.00 0.00 C ATOM 517 C GLU A 39 8.649 -1.382 0.733 1.00 0.00 C ATOM 518 O GLU A 39 9.461 -2.301 0.618 1.00 0.00 O ATOM 519 CB GLU A 39 8.824 0.208 -1.190 1.00 0.00 C ATOM 520 CG GLU A 39 9.146 1.424 -0.336 1.00 0.00 C ATOM 521 CD GLU A 39 8.075 2.494 -0.418 1.00 0.00 C ATOM 522 OE1 GLU A 39 7.506 2.680 -1.514 1.00 0.00 O ATOM 523 OE2 GLU A 39 7.805 3.145 0.613 1.00 0.00 O ATOM 0 H GLU A 39 6.614 0.803 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 39 7.717 -1.634 -1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.755 -0.277 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.334 0.537 -2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.265 1.113 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.100 1.845 -0.654 1.00 0.00 H new ATOM 530 N CYS A 40 8.344 -0.829 1.902 1.00 0.00 N ATOM 531 CA CYS A 40 8.961 -1.278 3.145 1.00 0.00 C ATOM 532 C CYS A 40 8.640 -2.746 3.412 1.00 0.00 C ATOM 533 O CYS A 40 9.380 -3.436 4.113 1.00 0.00 O ATOM 534 CB CYS A 40 8.481 -0.418 4.316 1.00 0.00 C ATOM 535 SG CYS A 40 6.718 -0.630 4.721 1.00 0.00 S ATOM 0 H CYS A 40 7.673 -0.069 2.015 1.00 0.00 H new ATOM 0 HA CYS A 40 10.041 -1.173 3.045 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.076 -0.658 5.197 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.666 0.631 4.082 1.00 0.00 H new ATOM 540 N GLY A 41 7.532 -3.216 2.848 1.00 0.00 N ATOM 541 CA GLY A 41 7.133 -4.599 3.037 1.00 0.00 C ATOM 542 C GLY A 41 5.870 -4.730 3.864 1.00 0.00 C ATOM 543 O GLY A 41 5.770 -5.605 4.724 1.00 0.00 O ATOM 0 H GLY A 41 6.904 -2.664 2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.977 -5.065 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.941 -5.144 3.525 1.00 0.00 H new ATOM 547 N HIS A 42 4.901 -3.856 3.605 1.00 0.00 N ATOM 548 CA HIS A 42 3.638 -3.878 4.333 1.00 0.00 C ATOM 549 C HIS A 42 2.472 -3.544 3.408 1.00 0.00 C ATOM 550 O HIS A 42 2.668 -3.042 2.301 1.00 0.00 O ATOM 551 CB HIS A 42 3.679 -2.888 5.497 1.00 0.00 C ATOM 552 CG HIS A 42 4.508 -3.357 6.653 1.00 0.00 C ATOM 553 ND1 HIS A 42 5.495 -2.588 7.233 1.00 0.00 N ATOM 554 CD2 HIS A 42 4.492 -4.524 7.338 1.00 0.00 C ATOM 555 CE1 HIS A 42 6.051 -3.262 8.223 1.00 0.00 C ATOM 556 NE2 HIS A 42 5.460 -4.440 8.309 1.00 0.00 N ATOM 0 H HIS A 42 4.967 -3.125 2.897 1.00 0.00 H new ATOM 0 HA HIS A 42 3.491 -4.884 4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.073 -1.936 5.140 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.662 -2.703 5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.840 -5.365 7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.853 -2.910 8.855 1.00 0.00 H new ATOM 0 HE2 HIS A 42 5.686 -5.169 8.986 1.00 0.00 H new ATOM 564 N VAL A 43 1.257 -3.827 3.868 1.00 0.00 N ATOM 565 CA VAL A 43 0.059 -3.556 3.082 1.00 0.00 C ATOM 566 C VAL A 43 -0.829 -2.526 3.771 1.00 0.00 C ATOM 567 O VAL A 43 -0.992 -2.548 4.991 1.00 0.00 O ATOM 568 CB VAL A 43 -0.756 -4.841 2.841 1.00 0.00 C ATOM 569 CG1 VAL A 43 -2.040 -4.525 2.090 1.00 0.00 C ATOM 570 CG2 VAL A 43 0.077 -5.865 2.084 1.00 0.00 C ATOM 0 H VAL A 43 1.077 -4.244 4.781 1.00 0.00 H new ATOM 0 HA VAL A 43 0.392 -3.160 2.123 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.025 -5.268 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.603 -5.444 1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.642 -3.829 2.675 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.797 -4.075 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.514 -6.767 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.377 -5.450 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.965 -6.113 2.665 1.00 0.00 H new ATOM 580 N PHE A 44 -1.402 -1.624 2.980 1.00 0.00 N ATOM 581 CA PHE A 44 -2.274 -0.584 3.514 1.00 0.00 C ATOM 582 C PHE A 44 -3.365 -0.222 2.510 1.00 0.00 C ATOM 583 O PHE A 44 -3.371 -0.710 1.379 1.00 0.00 O ATOM 584 CB PHE A 44 -1.459 0.661 3.870 1.00 0.00 C ATOM 585 CG PHE A 44 -0.430 0.419 4.936 1.00 0.00 C ATOM 586 CD1 PHE A 44 -0.762 0.530 6.277 1.00 0.00 C ATOM 587 CD2 PHE A 44 0.870 0.079 4.598 1.00 0.00 C ATOM 588 CE1 PHE A 44 0.184 0.308 7.260 1.00 0.00 C ATOM 589 CE2 PHE A 44 1.821 -0.144 5.576 1.00 0.00 C ATOM 590 CZ PHE A 44 1.477 -0.030 6.909 1.00 0.00 C ATOM 0 H PHE A 44 -1.278 -1.592 1.968 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.748 -0.969 4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.961 1.029 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.137 1.447 4.203 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.771 0.793 6.557 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.144 -0.013 3.557 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.087 0.399 8.301 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.831 -0.407 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.217 -0.205 7.676 1.00 0.00 H new ATOM 600 N CYS A 45 -4.287 0.636 2.932 1.00 0.00 N ATOM 601 CA CYS A 45 -5.385 1.064 2.073 1.00 0.00 C ATOM 602 C CYS A 45 -5.123 2.459 1.511 1.00 0.00 C ATOM 603 O CYS A 45 -4.309 3.212 2.045 1.00 0.00 O ATOM 604 CB CYS A 45 -6.702 1.054 2.850 1.00 0.00 C ATOM 605 SG CYS A 45 -7.028 -0.500 3.743 1.00 0.00 S ATOM 0 H CYS A 45 -4.296 1.049 3.865 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.457 0.364 1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.696 1.877 3.565 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.522 1.241 2.156 1.00 0.00 H new ATOM 610 N SER A 46 -5.820 2.796 0.431 1.00 0.00 N ATOM 611 CA SER A 46 -5.662 4.098 -0.206 1.00 0.00 C ATOM 612 C SER A 46 -5.896 5.224 0.795 1.00 0.00 C ATOM 613 O SER A 46 -5.106 6.164 0.883 1.00 0.00 O ATOM 614 CB SER A 46 -6.631 4.236 -1.382 1.00 0.00 C ATOM 615 OG SER A 46 -7.957 4.444 -0.927 1.00 0.00 O ATOM 0 H SER A 46 -6.500 2.185 -0.022 1.00 0.00 H new ATOM 0 HA SER A 46 -4.640 4.171 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.325 5.070 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.591 3.338 -1.998 1.00 0.00 H new ATOM 0 HG SER A 46 -8.083 5.391 -0.707 1.00 0.00 H new ATOM 621 N GLN A 47 -6.986 5.121 1.549 1.00 0.00 N ATOM 622 CA GLN A 47 -7.325 6.132 2.544 1.00 0.00 C ATOM 623 C GLN A 47 -6.412 6.024 3.761 1.00 0.00 C ATOM 624 O GLN A 47 -5.777 7.000 4.162 1.00 0.00 O ATOM 625 CB GLN A 47 -8.786 5.987 2.972 1.00 0.00 C ATOM 626 CG GLN A 47 -9.212 6.990 4.032 1.00 0.00 C ATOM 627 CD GLN A 47 -10.627 6.755 4.523 1.00 0.00 C ATOM 628 OE1 GLN A 47 -10.862 5.922 5.398 1.00 0.00 O ATOM 629 NE2 GLN A 47 -11.579 7.490 3.960 1.00 0.00 N ATOM 0 H GLN A 47 -7.649 4.348 1.490 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.183 7.114 2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.425 6.102 2.097 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.946 4.978 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.525 6.935 4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.136 7.998 3.624 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.339 8.169 3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.550 7.375 4.250 1.00 0.00 H new ATOM 638 N CYS A 48 -6.352 4.832 4.346 1.00 0.00 N ATOM 639 CA CYS A 48 -5.519 4.596 5.518 1.00 0.00 C ATOM 640 C CYS A 48 -4.126 5.190 5.324 1.00 0.00 C ATOM 641 O CYS A 48 -3.751 6.152 5.995 1.00 0.00 O ATOM 642 CB CYS A 48 -5.411 3.096 5.799 1.00 0.00 C ATOM 643 SG CYS A 48 -7.010 2.282 6.118 1.00 0.00 S ATOM 0 H CYS A 48 -6.871 4.014 4.027 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.988 5.086 6.371 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.932 2.611 4.948 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.760 2.944 6.660 1.00 0.00 H new ATOM 648 N LEU A 49 -3.365 4.609 4.403 1.00 0.00 N ATOM 649 CA LEU A 49 -2.014 5.080 4.120 1.00 0.00 C ATOM 650 C LEU A 49 -1.997 6.591 3.910 1.00 0.00 C ATOM 651 O LEU A 49 -1.298 7.318 4.617 1.00 0.00 O ATOM 652 CB LEU A 49 -1.456 4.376 2.882 1.00 0.00 C ATOM 653 CG LEU A 49 0.068 4.297 2.784 1.00 0.00 C ATOM 654 CD1 LEU A 49 0.637 3.501 3.947 1.00 0.00 C ATOM 655 CD2 LEU A 49 0.486 3.680 1.457 1.00 0.00 C ATOM 0 H LEU A 49 -3.660 3.811 3.840 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.386 4.844 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.855 3.362 2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.831 4.890 1.997 1.00 0.00 H new ATOM 0 HG LEU A 49 0.469 5.309 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.723 3.456 3.860 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.368 3.985 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.229 2.490 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.574 3.632 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.074 2.674 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.110 4.292 0.637 1.00 0.00 H new ATOM 667 N ARG A 50 -2.771 7.057 2.936 1.00 0.00 N ATOM 668 CA ARG A 50 -2.846 8.481 2.634 1.00 0.00 C ATOM 669 C ARG A 50 -2.923 9.305 3.915 1.00 0.00 C ATOM 670 O ARG A 50 -2.253 10.329 4.048 1.00 0.00 O ATOM 671 CB ARG A 50 -4.061 8.774 1.752 1.00 0.00 C ATOM 672 CG ARG A 50 -4.093 10.195 1.212 1.00 0.00 C ATOM 673 CD ARG A 50 -5.468 10.555 0.672 1.00 0.00 C ATOM 674 NE ARG A 50 -5.392 11.523 -0.419 1.00 0.00 N ATOM 675 CZ ARG A 50 -5.187 11.186 -1.687 1.00 0.00 C ATOM 676 NH1 ARG A 50 -5.038 9.911 -2.022 1.00 0.00 N ATOM 677 NH2 ARG A 50 -5.130 12.124 -2.623 1.00 0.00 N ATOM 0 H ARG A 50 -3.355 6.469 2.342 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.940 8.761 2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.069 8.076 0.915 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.969 8.592 2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.818 10.892 2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.351 10.301 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.967 9.652 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.078 10.964 1.477 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.502 12.512 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.081 9.187 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.881 9.655 -2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.244 13.105 -2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.972 11.864 -3.597 1.00 0.00 H new ATOM 691 N ASP A 51 -3.745 8.852 4.855 1.00 0.00 N ATOM 692 CA ASP A 51 -3.910 9.547 6.127 1.00 0.00 C ATOM 693 C ASP A 51 -2.690 9.344 7.019 1.00 0.00 C ATOM 694 O ASP A 51 -2.268 10.258 7.728 1.00 0.00 O ATOM 695 CB ASP A 51 -5.169 9.053 6.843 1.00 0.00 C ATOM 696 CG ASP A 51 -5.617 9.996 7.942 1.00 0.00 C ATOM 697 OD1 ASP A 51 -4.747 10.651 8.554 1.00 0.00 O ATOM 698 OD2 ASP A 51 -6.838 10.081 8.189 1.00 0.00 O ATOM 0 H ASP A 51 -4.308 8.007 4.760 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.013 10.612 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.974 8.937 6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.979 8.068 7.269 1.00 0.00 H new ATOM 703 N SER A 52 -2.128 8.140 6.980 1.00 0.00 N ATOM 704 CA SER A 52 -0.959 7.815 7.789 1.00 0.00 C ATOM 705 C SER A 52 0.209 8.737 7.451 1.00 0.00 C ATOM 706 O SER A 52 0.794 9.366 8.334 1.00 0.00 O ATOM 707 CB SER A 52 -0.551 6.357 7.571 1.00 0.00 C ATOM 708 OG SER A 52 0.686 6.074 8.203 1.00 0.00 O ATOM 0 H SER A 52 -2.463 7.373 6.397 1.00 0.00 H new ATOM 0 HA SER A 52 -1.222 7.959 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.324 5.697 7.965 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.472 6.154 6.503 1.00 0.00 H new ATOM 0 HG SER A 52 0.566 6.082 9.176 1.00 0.00 H new ATOM 714 N LEU A 53 0.542 8.813 6.167 1.00 0.00 N ATOM 715 CA LEU A 53 1.639 9.659 5.711 1.00 0.00 C ATOM 716 C LEU A 53 1.594 11.024 6.389 1.00 0.00 C ATOM 717 O LEU A 53 2.619 11.547 6.827 1.00 0.00 O ATOM 718 CB LEU A 53 1.580 9.829 4.192 1.00 0.00 C ATOM 719 CG LEU A 53 2.392 8.826 3.372 1.00 0.00 C ATOM 720 CD1 LEU A 53 1.681 7.483 3.313 1.00 0.00 C ATOM 721 CD2 LEU A 53 2.641 9.361 1.969 1.00 0.00 C ATOM 0 H LEU A 53 0.068 8.299 5.424 1.00 0.00 H new ATOM 0 HA LEU A 53 2.576 9.172 5.980 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.538 9.764 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.925 10.833 3.945 1.00 0.00 H new ATOM 0 HG LEU A 53 3.355 8.683 3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.274 6.783 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.555 7.093 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.703 7.609 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.220 8.634 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.687 9.535 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.194 10.298 2.030 1.00 0.00 H new ATOM 733 N LYS A 54 0.398 11.597 6.474 1.00 0.00 N ATOM 734 CA LYS A 54 0.216 12.900 7.103 1.00 0.00 C ATOM 735 C LYS A 54 0.570 12.844 8.585 1.00 0.00 C ATOM 736 O LYS A 54 1.379 13.633 9.071 1.00 0.00 O ATOM 737 CB LYS A 54 -1.228 13.376 6.929 1.00 0.00 C ATOM 738 CG LYS A 54 -1.655 13.506 5.478 1.00 0.00 C ATOM 739 CD LYS A 54 -3.145 13.779 5.358 1.00 0.00 C ATOM 740 CE LYS A 54 -3.467 15.242 5.621 1.00 0.00 C ATOM 741 NZ LYS A 54 -3.025 16.117 4.499 1.00 0.00 N ATOM 0 H LYS A 54 -0.460 11.179 6.115 1.00 0.00 H new ATOM 0 HA LYS A 54 0.886 13.608 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.895 12.678 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.345 14.341 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.097 14.314 5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.408 12.590 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.487 13.504 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.689 13.153 6.065 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.541 15.357 5.770 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.981 15.561 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.476 17.050 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.991 16.228 4.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.298 15.685 3.593 1.00 0.00 H new ATOM 755 N ASN A 55 -0.041 11.904 9.299 1.00 0.00 N ATOM 756 CA ASN A 55 0.210 11.744 10.727 1.00 0.00 C ATOM 757 C ASN A 55 1.638 11.268 10.978 1.00 0.00 C ATOM 758 O ASN A 55 2.449 11.986 11.562 1.00 0.00 O ATOM 759 CB ASN A 55 -0.784 10.751 11.333 1.00 0.00 C ATOM 760 CG ASN A 55 -2.224 11.119 11.033 1.00 0.00 C ATOM 761 OD1 ASN A 55 -2.613 12.283 11.134 1.00 0.00 O ATOM 762 ND2 ASN A 55 -3.024 10.126 10.663 1.00 0.00 N ATOM 0 H ASN A 55 -0.713 11.242 8.912 1.00 0.00 H new ATOM 0 HA ASN A 55 0.080 12.715 11.204 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.579 9.753 10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.640 10.710 12.413 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.004 10.313 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.659 9.176 10.593 1.00 0.00 H new ATOM 769 N ALA A 56 1.938 10.053 10.531 1.00 0.00 N ATOM 770 CA ALA A 56 3.268 9.482 10.705 1.00 0.00 C ATOM 771 C ALA A 56 4.045 9.491 9.393 1.00 0.00 C ATOM 772 O ALA A 56 3.873 8.609 8.553 1.00 0.00 O ATOM 773 CB ALA A 56 3.168 8.066 11.251 1.00 0.00 C ATOM 0 H ALA A 56 1.278 9.445 10.046 1.00 0.00 H new ATOM 0 HA ALA A 56 3.809 10.099 11.422 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.169 7.653 11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.660 8.083 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.604 7.446 10.554 1.00 0.00 H new ATOM 779 N ASN A 57 4.900 10.495 9.223 1.00 0.00 N ATOM 780 CA ASN A 57 5.703 10.619 8.012 1.00 0.00 C ATOM 781 C ASN A 57 6.174 9.251 7.529 1.00 0.00 C ATOM 782 O ASN A 57 6.080 8.931 6.344 1.00 0.00 O ATOM 783 CB ASN A 57 6.908 11.527 8.265 1.00 0.00 C ATOM 784 CG ASN A 57 6.569 12.996 8.102 1.00 0.00 C ATOM 785 OD1 ASN A 57 6.616 13.537 6.997 1.00 0.00 O ATOM 786 ND2 ASN A 57 6.227 13.650 9.206 1.00 0.00 N ATOM 0 H ASN A 57 5.054 11.234 9.909 1.00 0.00 H new ATOM 0 HA ASN A 57 5.079 11.063 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.285 11.354 9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.710 11.263 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.990 14.641 9.159 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.201 13.161 10.101 1.00 0.00 H new ATOM 793 N THR A 58 6.682 8.445 8.457 1.00 0.00 N ATOM 794 CA THR A 58 7.169 7.112 8.127 1.00 0.00 C ATOM 795 C THR A 58 6.060 6.074 8.252 1.00 0.00 C ATOM 796 O THR A 58 4.963 6.377 8.723 1.00 0.00 O ATOM 797 CB THR A 58 8.344 6.702 9.035 1.00 0.00 C ATOM 798 OG1 THR A 58 8.029 6.987 10.402 1.00 0.00 O ATOM 799 CG2 THR A 58 9.616 7.437 8.639 1.00 0.00 C ATOM 0 H THR A 58 6.767 8.693 9.443 1.00 0.00 H new ATOM 0 HA THR A 58 7.513 7.149 7.093 1.00 0.00 H new ATOM 0 HB THR A 58 8.510 5.631 8.916 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.856 7.030 10.926 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.432 7.131 9.294 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.869 7.195 7.607 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.459 8.512 8.732 1.00 0.00 H new ATOM 807 N CYS A 59 6.351 4.849 7.829 1.00 0.00 N ATOM 808 CA CYS A 59 5.378 3.765 7.894 1.00 0.00 C ATOM 809 C CYS A 59 4.834 3.606 9.311 1.00 0.00 C ATOM 810 O CYS A 59 5.578 3.609 10.292 1.00 0.00 O ATOM 811 CB CYS A 59 6.013 2.453 7.429 1.00 0.00 C ATOM 812 SG CYS A 59 4.887 1.022 7.486 1.00 0.00 S ATOM 0 H CYS A 59 7.254 4.582 7.437 1.00 0.00 H new ATOM 0 HA CYS A 59 4.549 4.014 7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.373 2.578 6.408 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.883 2.242 8.051 1.00 0.00 H new ATOM 817 N PRO A 60 3.505 3.464 9.422 1.00 0.00 N ATOM 818 CA PRO A 60 2.832 3.300 10.714 1.00 0.00 C ATOM 819 C PRO A 60 3.129 1.949 11.356 1.00 0.00 C ATOM 820 O PRO A 60 2.577 1.612 12.403 1.00 0.00 O ATOM 821 CB PRO A 60 1.348 3.408 10.357 1.00 0.00 C ATOM 822 CG PRO A 60 1.271 2.995 8.928 1.00 0.00 C ATOM 823 CD PRO A 60 2.557 3.451 8.296 1.00 0.00 C ATOM 0 HA PRO A 60 3.164 4.039 11.443 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.741 2.761 10.989 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.980 4.425 10.496 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.154 1.915 8.840 1.00 0.00 H new ATOM 0 HG3 PRO A 60 0.411 3.450 8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 60 2.880 2.772 7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 60 2.455 4.438 7.845 1.00 0.00 H new ATOM 831 N THR A 61 4.007 1.178 10.721 1.00 0.00 N ATOM 832 CA THR A 61 4.377 -0.137 11.229 1.00 0.00 C ATOM 833 C THR A 61 5.863 -0.199 11.563 1.00 0.00 C ATOM 834 O THR A 61 6.245 -0.241 12.733 1.00 0.00 O ATOM 835 CB THR A 61 4.044 -1.246 10.213 1.00 0.00 C ATOM 836 OG1 THR A 61 2.714 -1.071 9.714 1.00 0.00 O ATOM 837 CG2 THR A 61 4.175 -2.621 10.851 1.00 0.00 C ATOM 0 H THR A 61 4.475 1.442 9.854 1.00 0.00 H new ATOM 0 HA THR A 61 3.796 -0.300 12.137 1.00 0.00 H new ATOM 0 HB THR A 61 4.753 -1.176 9.388 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.511 -1.779 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.935 -3.388 10.115 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.197 -2.763 11.203 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.487 -2.698 11.693 1.00 0.00 H new ATOM 845 N CYS A 62 6.698 -0.204 10.529 1.00 0.00 N ATOM 846 CA CYS A 62 8.143 -0.260 10.713 1.00 0.00 C ATOM 847 C CYS A 62 8.727 1.141 10.864 1.00 0.00 C ATOM 848 O CYS A 62 9.806 1.318 11.429 1.00 0.00 O ATOM 849 CB CYS A 62 8.801 -0.975 9.531 1.00 0.00 C ATOM 850 SG CYS A 62 8.315 -0.319 7.902 1.00 0.00 S ATOM 0 H CYS A 62 6.398 -0.170 9.555 1.00 0.00 H new ATOM 0 HA CYS A 62 8.347 -0.819 11.626 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.884 -0.901 9.632 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.548 -2.034 9.574 1.00 0.00 H new ATOM 855 N ARG A 63 8.007 2.135 10.353 1.00 0.00 N ATOM 856 CA ARG A 63 8.453 3.520 10.430 1.00 0.00 C ATOM 857 C ARG A 63 9.743 3.720 9.640 1.00 0.00 C ATOM 858 O ARG A 63 10.630 4.466 10.056 1.00 0.00 O ATOM 859 CB ARG A 63 8.667 3.930 11.888 1.00 0.00 C ATOM 860 CG ARG A 63 7.413 3.826 12.741 1.00 0.00 C ATOM 861 CD ARG A 63 6.622 5.124 12.728 1.00 0.00 C ATOM 862 NE ARG A 63 7.285 6.177 13.493 1.00 0.00 N ATOM 863 CZ ARG A 63 7.267 6.244 14.820 1.00 0.00 C ATOM 864 NH1 ARG A 63 6.623 5.324 15.524 1.00 0.00 N ATOM 865 NH2 ARG A 63 7.894 7.232 15.444 1.00 0.00 N ATOM 0 H ARG A 63 7.112 2.006 9.881 1.00 0.00 H new ATOM 0 HA ARG A 63 7.678 4.149 9.993 1.00 0.00 H new ATOM 0 HB2 ARG A 63 9.445 3.302 12.323 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.032 4.957 11.918 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.787 3.013 12.372 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.688 3.577 13.766 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.486 5.455 11.698 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.629 4.947 13.140 1.00 0.00 H new ATOM 0 HE ARG A 63 7.789 6.900 12.981 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.140 4.563 15.047 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.611 5.377 16.543 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.391 7.942 14.905 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.879 7.282 16.463 1.00 0.00 H new ATOM 879 N LYS A 64 9.841 3.049 8.498 1.00 0.00 N ATOM 880 CA LYS A 64 11.021 3.152 7.647 1.00 0.00 C ATOM 881 C LYS A 64 10.803 4.173 6.535 1.00 0.00 C ATOM 882 O LYS A 64 9.670 4.433 6.130 1.00 0.00 O ATOM 883 CB LYS A 64 11.360 1.787 7.043 1.00 0.00 C ATOM 884 CG LYS A 64 12.714 1.747 6.354 1.00 0.00 C ATOM 885 CD LYS A 64 12.911 0.449 5.588 1.00 0.00 C ATOM 886 CE LYS A 64 14.260 0.416 4.886 1.00 0.00 C ATOM 887 NZ LYS A 64 15.335 -0.106 5.775 1.00 0.00 N ATOM 0 H LYS A 64 9.116 2.427 8.140 1.00 0.00 H new ATOM 0 HA LYS A 64 11.855 3.487 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.340 1.035 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.587 1.515 6.324 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.800 2.591 5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.505 1.856 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 64 12.836 -0.395 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.114 0.334 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.191 -0.208 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.520 1.420 4.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.239 -0.113 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.419 0.504 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.099 -1.074 6.073 1.00 0.00 H new ATOM 901 N LYS A 65 11.896 4.748 6.044 1.00 0.00 N ATOM 902 CA LYS A 65 11.825 5.738 4.976 1.00 0.00 C ATOM 903 C LYS A 65 10.988 5.222 3.810 1.00 0.00 C ATOM 904 O LYS A 65 11.428 4.355 3.054 1.00 0.00 O ATOM 905 CB LYS A 65 13.232 6.095 4.490 1.00 0.00 C ATOM 906 CG LYS A 65 13.250 7.170 3.418 1.00 0.00 C ATOM 907 CD LYS A 65 12.923 8.538 3.993 1.00 0.00 C ATOM 908 CE LYS A 65 14.095 9.108 4.776 1.00 0.00 C ATOM 909 NZ LYS A 65 15.155 9.644 3.877 1.00 0.00 N ATOM 0 H LYS A 65 12.841 4.545 6.369 1.00 0.00 H new ATOM 0 HA LYS A 65 11.347 6.633 5.375 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.827 6.431 5.340 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.712 5.197 4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.232 7.198 2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.530 6.920 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.658 9.220 3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.052 8.462 4.644 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.741 9.902 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.518 8.331 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.913 10.069 4.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.547 8.871 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.746 10.367 3.251 1.00 0.00 H new ATOM 923 N ILE A 66 9.782 5.762 3.669 1.00 0.00 N ATOM 924 CA ILE A 66 8.886 5.358 2.593 1.00 0.00 C ATOM 925 C ILE A 66 8.379 6.568 1.816 1.00 0.00 C ATOM 926 O ILE A 66 8.384 7.689 2.322 1.00 0.00 O ATOM 927 CB ILE A 66 7.681 4.565 3.132 1.00 0.00 C ATOM 928 CG1 ILE A 66 6.999 5.339 4.263 1.00 0.00 C ATOM 929 CG2 ILE A 66 8.122 3.192 3.614 1.00 0.00 C ATOM 930 CD1 ILE A 66 5.527 5.023 4.409 1.00 0.00 C ATOM 0 H ILE A 66 9.403 6.480 4.286 1.00 0.00 H new ATOM 0 HA ILE A 66 9.463 4.717 1.926 1.00 0.00 H new ATOM 0 HB ILE A 66 6.963 4.430 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.505 5.116 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.117 6.408 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.259 2.644 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.567 2.641 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 66 8.857 3.305 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.109 5.607 5.229 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.008 5.273 3.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.402 3.961 4.620 1.00 0.00 H new ATOM 942 N ASN A 67 7.940 6.331 0.584 1.00 0.00 N ATOM 943 CA ASN A 67 7.427 7.402 -0.263 1.00 0.00 C ATOM 944 C ASN A 67 6.522 6.844 -1.357 1.00 0.00 C ATOM 945 O ASN A 67 6.995 6.251 -2.327 1.00 0.00 O ATOM 946 CB ASN A 67 8.584 8.182 -0.892 1.00 0.00 C ATOM 947 CG ASN A 67 8.119 9.126 -1.983 1.00 0.00 C ATOM 948 OD1 ASN A 67 7.964 10.326 -1.756 1.00 0.00 O ATOM 949 ND2 ASN A 67 7.895 8.587 -3.176 1.00 0.00 N ATOM 0 H ASN A 67 7.929 5.408 0.150 1.00 0.00 H new ATOM 0 HA ASN A 67 6.840 8.076 0.362 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.098 8.751 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.308 7.481 -1.306 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.581 9.173 -3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 67 8.037 7.587 -3.319 1.00 0.00 H new ATOM 956 N HIS A 68 5.217 7.038 -1.194 1.00 0.00 N ATOM 957 CA HIS A 68 4.244 6.556 -2.168 1.00 0.00 C ATOM 958 C HIS A 68 3.776 7.689 -3.076 1.00 0.00 C ATOM 959 O HIS A 68 3.029 8.571 -2.651 1.00 0.00 O ATOM 960 CB HIS A 68 3.046 5.929 -1.456 1.00 0.00 C ATOM 961 CG HIS A 68 2.045 5.320 -2.389 1.00 0.00 C ATOM 962 ND1 HIS A 68 1.871 3.959 -2.523 1.00 0.00 N ATOM 963 CD2 HIS A 68 1.161 5.896 -3.238 1.00 0.00 C ATOM 964 CE1 HIS A 68 0.925 3.723 -3.414 1.00 0.00 C ATOM 965 NE2 HIS A 68 0.477 4.882 -3.863 1.00 0.00 N ATOM 0 H HIS A 68 4.809 7.526 -0.396 1.00 0.00 H new ATOM 0 HA HIS A 68 4.728 5.798 -2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.403 5.162 -0.769 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.552 6.692 -0.854 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.020 6.955 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.577 2.748 -3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.257 5.004 -4.560 1.00 0.00 H new ATOM 973 N LYS A 69 4.221 7.660 -4.327 1.00 0.00 N ATOM 974 CA LYS A 69 3.848 8.684 -5.296 1.00 0.00 C ATOM 975 C LYS A 69 3.014 8.087 -6.425 1.00 0.00 C ATOM 976 O LYS A 69 3.576 7.455 -7.319 1.00 0.00 O ATOM 977 CB LYS A 69 5.099 9.353 -5.870 1.00 0.00 C ATOM 978 CG LYS A 69 4.803 10.346 -6.980 1.00 0.00 C ATOM 979 CD LYS A 69 5.992 10.512 -7.912 1.00 0.00 C ATOM 980 CE LYS A 69 5.551 10.901 -9.314 1.00 0.00 C ATOM 981 NZ LYS A 69 5.055 12.304 -9.371 1.00 0.00 N ATOM 0 H LYS A 69 4.841 6.938 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 69 3.247 9.434 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.627 9.866 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.770 8.583 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.937 10.009 -7.550 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.542 11.311 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.663 11.274 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.557 9.581 -7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.387 10.783 -10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.765 10.224 -9.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.764 12.530 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.241 12.411 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.813 12.952 -9.077 1.00 0.00 H new TER 995 LYS A 69 HETATM 996 ZN ZN A 201 -6.779 0.107 6.040 1.00 0.00 ZN HETATM 997 ZN ZN A 401 6.347 -0.789 7.053 1.00 0.00 ZN