USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 650 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 Single : A 1 MET CE :methyl 158:sc= -0.119 (180deg=-0.637) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.199) USER MOD Single : A 3 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.35) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 113:sc= 0.461 USER MOD Single : A 12 SER OG : rot 180:sc= -0.242 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0.0027) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 140:sc= -0.338 USER MOD Single : A 26 HIS : no HD1:sc= -0.589 X(o=-0.59,f=-0.75) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 39:sc= -3.73! USER MOD Single : A 36 MET CE :methyl 153:sc= -0.0938 (180deg=-0.891) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0287) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 48 GLN : amide:sc= -5.8! C(o=-5.8!,f=-9.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 7:sc= -5.18! USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0357 (180deg=-0.276) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.112 USER MOD Single : A 79 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.0072) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.32 K(o=-0.32,f=-1) USER MOD Single : A 84 HIS : no HD1:sc= -0.503 X(o=-0.5,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.025 10.694 -16.234 1.00 0.00 N ATOM 2 CA MET A 1 3.131 9.980 -15.285 1.00 0.00 C ATOM 3 C MET A 1 3.687 8.604 -14.934 1.00 0.00 C ATOM 4 O MET A 1 3.914 7.772 -15.813 1.00 0.00 O ATOM 5 CB MET A 1 1.749 9.843 -15.927 1.00 0.00 C ATOM 6 CG MET A 1 1.117 11.175 -16.300 1.00 0.00 C ATOM 7 SD MET A 1 -0.615 11.013 -16.774 1.00 0.00 S ATOM 8 CE MET A 1 -1.353 10.551 -15.209 1.00 0.00 C ATOM 0 H1 MET A 1 3.737 11.691 -16.298 1.00 0.00 H new ATOM 0 H2 MET A 1 5.007 10.638 -15.895 1.00 0.00 H new ATOM 0 H3 MET A 1 3.957 10.253 -17.173 1.00 0.00 H new ATOM 0 HA MET A 1 3.061 10.552 -14.360 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.833 9.227 -16.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.088 9.317 -15.238 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.196 11.859 -15.455 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.675 11.620 -17.124 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.417 10.789 -15.224 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.223 9.481 -15.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.869 11.102 -14.402 1.00 0.00 H new ATOM 20 N GLU A 2 3.903 8.370 -13.644 1.00 0.00 N ATOM 21 CA GLU A 2 4.432 7.095 -13.176 1.00 0.00 C ATOM 22 C GLU A 2 3.328 6.237 -12.568 1.00 0.00 C ATOM 23 O GLU A 2 3.071 6.299 -11.366 1.00 0.00 O ATOM 24 CB GLU A 2 5.540 7.325 -12.146 1.00 0.00 C ATOM 25 CG GLU A 2 6.839 7.829 -12.753 1.00 0.00 C ATOM 26 CD GLU A 2 7.772 6.702 -13.152 1.00 0.00 C ATOM 27 OE1 GLU A 2 7.604 5.580 -12.631 1.00 0.00 O ATOM 28 OE2 GLU A 2 8.670 6.942 -13.986 1.00 0.00 O ATOM 0 H GLU A 2 3.720 9.047 -12.904 1.00 0.00 H new ATOM 0 HA GLU A 2 4.847 6.567 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.192 8.044 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.733 6.391 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.614 8.437 -13.629 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.343 8.477 -12.036 1.00 0.00 H new ATOM 35 N ASN A 3 2.677 5.437 -13.407 1.00 0.00 N ATOM 36 CA ASN A 3 1.599 4.566 -12.952 1.00 0.00 C ATOM 37 C ASN A 3 1.995 3.097 -13.080 1.00 0.00 C ATOM 38 O ASN A 3 1.409 2.350 -13.864 1.00 0.00 O ATOM 39 CB ASN A 3 0.324 4.837 -13.752 1.00 0.00 C ATOM 40 CG ASN A 3 -0.889 4.146 -13.159 1.00 0.00 C ATOM 41 OD1 ASN A 3 -0.981 2.919 -13.161 1.00 0.00 O ATOM 42 ND2 ASN A 3 -1.827 4.935 -12.649 1.00 0.00 N ATOM 0 H ASN A 3 2.877 5.374 -14.405 1.00 0.00 H new ATOM 0 HA ASN A 3 1.410 4.781 -11.900 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.144 5.911 -13.790 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.464 4.500 -14.779 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.667 4.528 -12.237 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.708 5.948 -12.669 1.00 0.00 H new ATOM 49 N ASP A 4 2.995 2.690 -12.305 1.00 0.00 N ATOM 50 CA ASP A 4 3.471 1.312 -12.331 1.00 0.00 C ATOM 51 C ASP A 4 2.583 0.412 -11.474 1.00 0.00 C ATOM 52 O ASP A 4 1.924 0.879 -10.545 1.00 0.00 O ATOM 53 CB ASP A 4 4.917 1.241 -11.836 1.00 0.00 C ATOM 54 CG ASP A 4 5.920 1.363 -12.966 1.00 0.00 C ATOM 55 OD1 ASP A 4 5.734 0.690 -14.001 1.00 0.00 O ATOM 56 OD2 ASP A 4 6.893 2.132 -12.814 1.00 0.00 O ATOM 0 H ASP A 4 3.491 3.295 -11.651 1.00 0.00 H new ATOM 0 HA ASP A 4 3.428 0.959 -13.361 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.090 2.037 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.074 0.297 -11.315 1.00 0.00 H new ATOM 61 N PRO A 5 2.554 -0.897 -11.778 1.00 0.00 N ATOM 62 CA PRO A 5 1.743 -1.863 -11.030 1.00 0.00 C ATOM 63 C PRO A 5 2.273 -2.102 -9.620 1.00 0.00 C ATOM 64 O PRO A 5 1.545 -2.568 -8.743 1.00 0.00 O ATOM 65 CB PRO A 5 1.853 -3.141 -11.865 1.00 0.00 C ATOM 66 CG PRO A 5 3.143 -3.006 -12.596 1.00 0.00 C ATOM 67 CD PRO A 5 3.311 -1.537 -12.870 1.00 0.00 C ATOM 0 HA PRO A 5 0.720 -1.513 -10.892 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.847 -4.029 -11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.015 -3.236 -12.555 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.971 -3.389 -12.000 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.127 -3.577 -13.524 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.361 -1.243 -12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.915 -1.263 -13.848 1.00 0.00 H new ATOM 75 N THR A 6 3.546 -1.780 -9.406 1.00 0.00 N ATOM 76 CA THR A 6 4.174 -1.960 -8.101 1.00 0.00 C ATOM 77 C THR A 6 4.020 -0.710 -7.235 1.00 0.00 C ATOM 78 O THR A 6 4.952 -0.310 -6.538 1.00 0.00 O ATOM 79 CB THR A 6 5.656 -2.294 -8.272 1.00 0.00 C ATOM 80 OG1 THR A 6 6.341 -1.228 -8.906 1.00 0.00 O ATOM 81 CG2 THR A 6 5.897 -3.545 -9.090 1.00 0.00 C ATOM 0 H THR A 6 4.163 -1.393 -10.120 1.00 0.00 H new ATOM 0 HA THR A 6 3.672 -2.787 -7.598 1.00 0.00 H new ATOM 0 HB THR A 6 6.033 -2.461 -7.263 1.00 0.00 H new ATOM 0 HG1 THR A 6 7.288 -1.460 -9.005 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.969 -3.725 -9.173 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.423 -4.396 -8.601 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.473 -3.416 -10.086 1.00 0.00 H new ATOM 89 N VAL A 7 2.840 -0.099 -7.282 1.00 0.00 N ATOM 90 CA VAL A 7 2.570 1.102 -6.499 1.00 0.00 C ATOM 91 C VAL A 7 1.102 1.174 -6.096 1.00 0.00 C ATOM 92 O VAL A 7 0.214 1.191 -6.949 1.00 0.00 O ATOM 93 CB VAL A 7 2.939 2.379 -7.276 1.00 0.00 C ATOM 94 CG1 VAL A 7 2.967 3.578 -6.344 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.276 2.212 -7.984 1.00 0.00 C ATOM 0 H VAL A 7 2.056 -0.415 -7.853 1.00 0.00 H new ATOM 0 HA VAL A 7 3.190 1.041 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 7 2.176 2.553 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.229 4.472 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.984 3.710 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.707 3.413 -5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.517 3.126 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.055 2.011 -7.248 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.215 1.379 -8.685 1.00 0.00 H new ATOM 105 N LEU A 8 0.851 1.212 -4.792 1.00 0.00 N ATOM 106 CA LEU A 8 -0.513 1.278 -4.279 1.00 0.00 C ATOM 107 C LEU A 8 -0.969 2.721 -4.089 1.00 0.00 C ATOM 108 O LEU A 8 -0.706 3.335 -3.055 1.00 0.00 O ATOM 109 CB LEU A 8 -0.622 0.522 -2.955 1.00 0.00 C ATOM 110 CG LEU A 8 -1.827 -0.413 -2.842 1.00 0.00 C ATOM 111 CD1 LEU A 8 -3.116 0.341 -3.131 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.673 -1.594 -3.789 1.00 0.00 C ATOM 0 H LEU A 8 1.573 1.198 -4.072 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.165 0.809 -5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.287 -0.062 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.666 1.247 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.875 -0.794 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.963 -0.340 -3.046 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.231 1.154 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.080 0.750 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.539 -2.250 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.601 -1.231 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.769 -2.148 -3.536 1.00 0.00 H new ATOM 124 N ARG A 9 -1.662 3.251 -5.088 1.00 0.00 N ATOM 125 CA ARG A 9 -2.167 4.618 -5.029 1.00 0.00 C ATOM 126 C ARG A 9 -3.591 4.648 -4.482 1.00 0.00 C ATOM 127 O ARG A 9 -4.378 3.733 -4.722 1.00 0.00 O ATOM 128 CB ARG A 9 -2.126 5.263 -6.416 1.00 0.00 C ATOM 129 CG ARG A 9 -0.789 5.909 -6.746 1.00 0.00 C ATOM 130 CD ARG A 9 0.270 4.872 -7.083 1.00 0.00 C ATOM 131 NE ARG A 9 -0.263 3.785 -7.898 1.00 0.00 N ATOM 132 CZ ARG A 9 -0.439 3.860 -9.215 1.00 0.00 C ATOM 133 NH1 ARG A 9 -0.127 4.970 -9.872 1.00 0.00 N ATOM 134 NH2 ARG A 9 -0.930 2.822 -9.878 1.00 0.00 N ATOM 0 H ARG A 9 -1.888 2.755 -5.950 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.525 5.186 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.349 4.505 -7.167 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.911 6.017 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.912 6.590 -7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.455 6.507 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.091 5.353 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.683 4.464 -6.161 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.516 2.915 -7.430 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.250 5.772 -9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.264 5.021 -10.881 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.173 1.966 -9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.065 2.879 -10.887 1.00 0.00 H new ATOM 148 N SER A 10 -3.915 5.706 -3.746 1.00 0.00 N ATOM 149 CA SER A 10 -5.244 5.855 -3.166 1.00 0.00 C ATOM 150 C SER A 10 -6.290 6.094 -4.254 1.00 0.00 C ATOM 151 O SER A 10 -6.011 6.745 -5.261 1.00 0.00 O ATOM 152 CB SER A 10 -5.259 7.012 -2.163 1.00 0.00 C ATOM 153 OG SER A 10 -4.135 7.856 -2.339 1.00 0.00 O ATOM 0 H SER A 10 -3.275 6.473 -3.537 1.00 0.00 H new ATOM 0 HA SER A 10 -5.492 4.930 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.175 7.591 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.265 6.616 -1.147 1.00 0.00 H new ATOM 0 HG SER A 10 -4.432 8.734 -2.658 1.00 0.00 H new ATOM 159 N PRO A 11 -7.513 5.569 -4.064 1.00 0.00 N ATOM 160 CA PRO A 11 -8.599 5.730 -5.035 1.00 0.00 C ATOM 161 C PRO A 11 -9.184 7.138 -5.020 1.00 0.00 C ATOM 162 O PRO A 11 -9.558 7.677 -6.062 1.00 0.00 O ATOM 163 CB PRO A 11 -9.640 4.714 -4.567 1.00 0.00 C ATOM 164 CG PRO A 11 -9.413 4.593 -3.100 1.00 0.00 C ATOM 165 CD PRO A 11 -7.933 4.778 -2.890 1.00 0.00 C ATOM 0 HA PRO A 11 -8.260 5.574 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.652 5.054 -4.785 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.511 3.755 -5.069 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.981 5.346 -2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.740 3.620 -2.734 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.723 5.302 -1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.412 3.822 -2.843 1.00 0.00 H new ATOM 173 N SER A 12 -9.261 7.729 -3.832 1.00 0.00 N ATOM 174 CA SER A 12 -9.801 9.075 -3.680 1.00 0.00 C ATOM 175 C SER A 12 -9.214 9.760 -2.450 1.00 0.00 C ATOM 176 O SER A 12 -8.401 9.179 -1.732 1.00 0.00 O ATOM 177 CB SER A 12 -11.326 9.026 -3.572 1.00 0.00 C ATOM 178 OG SER A 12 -11.881 8.179 -4.563 1.00 0.00 O ATOM 0 H SER A 12 -8.956 7.296 -2.960 1.00 0.00 H new ATOM 0 HA SER A 12 -9.525 9.653 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.612 8.669 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.734 10.031 -3.679 1.00 0.00 H new ATOM 0 HG SER A 12 -12.857 8.164 -4.471 1.00 0.00 H new ATOM 184 N ALA A 13 -9.632 11.000 -2.214 1.00 0.00 N ATOM 185 CA ALA A 13 -9.148 11.764 -1.071 1.00 0.00 C ATOM 186 C ALA A 13 -9.802 11.291 0.223 1.00 0.00 C ATOM 187 O ALA A 13 -11.009 11.446 0.413 1.00 0.00 O ATOM 188 CB ALA A 13 -9.406 13.248 -1.283 1.00 0.00 C ATOM 0 H ALA A 13 -10.304 11.496 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.074 11.601 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.040 13.808 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.887 13.583 -2.181 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.476 13.418 -1.398 1.00 0.00 H new ATOM 194 N GLY A 14 -8.998 10.713 1.109 1.00 0.00 N ATOM 195 CA GLY A 14 -9.518 10.227 2.374 1.00 0.00 C ATOM 196 C GLY A 14 -8.570 10.485 3.529 1.00 0.00 C ATOM 197 O GLY A 14 -8.018 11.578 3.655 1.00 0.00 O ATOM 0 H GLY A 14 -7.997 10.572 0.974 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.474 10.708 2.579 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.709 9.157 2.297 1.00 0.00 H new ATOM 201 N LYS A 15 -8.383 9.477 4.374 1.00 0.00 N ATOM 202 CA LYS A 15 -7.496 9.598 5.526 1.00 0.00 C ATOM 203 C LYS A 15 -7.118 8.224 6.067 1.00 0.00 C ATOM 204 O LYS A 15 -7.953 7.323 6.138 1.00 0.00 O ATOM 205 CB LYS A 15 -8.165 10.425 6.626 1.00 0.00 C ATOM 206 CG LYS A 15 -7.191 10.954 7.666 1.00 0.00 C ATOM 207 CD LYS A 15 -7.162 10.070 8.902 1.00 0.00 C ATOM 208 CE LYS A 15 -8.222 10.485 9.909 1.00 0.00 C ATOM 209 NZ LYS A 15 -7.856 10.088 11.297 1.00 0.00 N ATOM 0 H LYS A 15 -8.834 8.567 4.283 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.587 10.104 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.689 11.265 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.917 9.813 7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.192 11.011 7.234 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.474 11.968 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.321 9.032 8.612 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.177 10.124 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.361 11.565 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.175 10.030 9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.605 10.389 11.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.748 9.055 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.959 10.543 11.563 1.00 0.00 H new ATOM 223 N LEU A 16 -5.854 8.070 6.448 1.00 0.00 N ATOM 224 CA LEU A 16 -5.365 6.805 6.983 1.00 0.00 C ATOM 225 C LEU A 16 -5.992 6.515 8.343 1.00 0.00 C ATOM 226 O LEU A 16 -5.525 7.007 9.371 1.00 0.00 O ATOM 227 CB LEU A 16 -3.841 6.834 7.109 1.00 0.00 C ATOM 228 CG LEU A 16 -3.173 5.464 7.235 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.620 4.545 6.108 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.658 5.608 7.238 1.00 0.00 C ATOM 0 H LEU A 16 -5.150 8.806 6.396 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.650 6.012 6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.430 7.342 6.237 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.576 7.432 7.981 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.478 5.019 8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.134 3.575 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.701 4.416 6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.345 4.985 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.199 4.623 7.328 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.335 6.075 6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.353 6.229 8.080 1.00 0.00 H new ATOM 242 N THR A 17 -7.055 5.717 8.342 1.00 0.00 N ATOM 243 CA THR A 17 -7.748 5.367 9.577 1.00 0.00 C ATOM 244 C THR A 17 -6.959 4.334 10.379 1.00 0.00 C ATOM 245 O THR A 17 -6.869 4.426 11.604 1.00 0.00 O ATOM 246 CB THR A 17 -9.149 4.833 9.268 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.891 4.652 10.461 1.00 0.00 O ATOM 248 CG2 THR A 17 -9.140 3.513 8.529 1.00 0.00 C ATOM 0 H THR A 17 -7.455 5.301 7.501 1.00 0.00 H new ATOM 0 HA THR A 17 -7.836 6.271 10.180 1.00 0.00 H new ATOM 0 HB THR A 17 -9.608 5.585 8.626 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.784 4.312 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.165 3.193 8.343 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.619 3.631 7.579 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.630 2.762 9.132 1.00 0.00 H new ATOM 256 N GLN A 18 -6.391 3.352 9.685 1.00 0.00 N ATOM 257 CA GLN A 18 -5.614 2.306 10.344 1.00 0.00 C ATOM 258 C GLN A 18 -4.805 1.502 9.328 1.00 0.00 C ATOM 259 O GLN A 18 -4.606 1.938 8.194 1.00 0.00 O ATOM 260 CB GLN A 18 -6.542 1.379 11.132 1.00 0.00 C ATOM 261 CG GLN A 18 -5.998 0.991 12.497 1.00 0.00 C ATOM 262 CD GLN A 18 -6.575 -0.316 13.005 1.00 0.00 C ATOM 263 OE1 GLN A 18 -6.248 -1.390 12.501 1.00 0.00 O ATOM 264 NE2 GLN A 18 -7.440 -0.230 14.009 1.00 0.00 N ATOM 0 H GLN A 18 -6.453 3.258 8.671 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.916 2.782 11.033 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.507 1.869 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.718 0.475 10.550 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.913 0.907 12.441 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.220 1.784 13.211 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.682 0.682 14.397 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.862 -1.076 14.393 1.00 0.00 H new ATOM 273 N TYR A 19 -4.339 0.326 9.742 1.00 0.00 N ATOM 274 CA TYR A 19 -3.552 -0.537 8.869 1.00 0.00 C ATOM 275 C TYR A 19 -3.755 -2.006 9.230 1.00 0.00 C ATOM 276 O TYR A 19 -3.854 -2.359 10.405 1.00 0.00 O ATOM 277 CB TYR A 19 -2.068 -0.177 8.964 1.00 0.00 C ATOM 278 CG TYR A 19 -1.529 -0.196 10.377 1.00 0.00 C ATOM 279 CD1 TYR A 19 -1.093 -1.380 10.959 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.456 0.970 11.129 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.599 -1.401 12.249 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.963 0.957 12.420 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.537 -0.231 12.975 1.00 0.00 C ATOM 284 OH TYR A 19 -0.046 -0.248 14.261 1.00 0.00 O ATOM 0 H TYR A 19 -4.494 -0.050 10.677 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.891 -0.383 7.845 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.494 -0.876 8.356 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.916 0.815 8.539 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.141 -2.299 10.394 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.790 1.902 10.697 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.263 -2.330 12.686 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.912 1.872 12.991 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.069 0.659 14.632 1.00 0.00 H new ATOM 294 N THR A 20 -3.820 -2.856 8.210 1.00 0.00 N ATOM 295 CA THR A 20 -4.016 -4.286 8.415 1.00 0.00 C ATOM 296 C THR A 20 -2.687 -5.040 8.408 1.00 0.00 C ATOM 297 O THR A 20 -2.619 -6.193 8.833 1.00 0.00 O ATOM 298 CB THR A 20 -4.939 -4.853 7.335 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.248 -4.989 6.106 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.162 -3.997 7.083 1.00 0.00 C ATOM 0 H THR A 20 -3.740 -2.578 7.232 1.00 0.00 H new ATOM 0 HA THR A 20 -4.477 -4.420 9.394 1.00 0.00 H new ATOM 0 HB THR A 20 -5.266 -5.822 7.713 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.517 -5.824 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.774 -4.456 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.744 -3.914 8.001 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.851 -3.004 6.760 1.00 0.00 H new ATOM 308 N VAL A 21 -1.633 -4.388 7.923 1.00 0.00 N ATOM 309 CA VAL A 21 -0.316 -5.011 7.864 1.00 0.00 C ATOM 310 C VAL A 21 0.795 -3.977 8.008 1.00 0.00 C ATOM 311 O VAL A 21 0.671 -2.846 7.536 1.00 0.00 O ATOM 312 CB VAL A 21 -0.118 -5.780 6.544 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.108 -6.930 6.442 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.251 -4.844 5.352 1.00 0.00 C ATOM 0 H VAL A 21 -1.666 -3.433 7.567 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.263 -5.711 8.698 1.00 0.00 H new ATOM 0 HB VAL A 21 0.889 -6.196 6.537 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.953 -7.461 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.957 -7.615 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.125 -6.539 6.474 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.108 -5.407 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.244 -4.394 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.503 -4.060 5.419 1.00 0.00 H new ATOM 324 N GLU A 22 1.881 -4.375 8.663 1.00 0.00 N ATOM 325 CA GLU A 22 3.019 -3.487 8.874 1.00 0.00 C ATOM 326 C GLU A 22 3.726 -3.185 7.557 1.00 0.00 C ATOM 327 O GLU A 22 3.309 -3.650 6.496 1.00 0.00 O ATOM 328 CB GLU A 22 4.004 -4.117 9.859 1.00 0.00 C ATOM 329 CG GLU A 22 4.463 -5.509 9.453 1.00 0.00 C ATOM 330 CD GLU A 22 5.930 -5.750 9.752 1.00 0.00 C ATOM 331 OE1 GLU A 22 6.460 -5.105 10.681 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.548 -6.582 9.056 1.00 0.00 O ATOM 0 H GLU A 22 1.997 -5.308 9.058 1.00 0.00 H new ATOM 0 HA GLU A 22 2.646 -2.550 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.875 -3.469 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.538 -4.170 10.843 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.862 -6.253 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.286 -5.649 8.387 1.00 0.00 H new ATOM 339 N ASP A 23 4.799 -2.404 7.634 1.00 0.00 N ATOM 340 CA ASP A 23 5.567 -2.041 6.449 1.00 0.00 C ATOM 341 C ASP A 23 6.115 -3.285 5.756 1.00 0.00 C ATOM 342 O ASP A 23 6.860 -4.063 6.353 1.00 0.00 O ATOM 343 CB ASP A 23 6.717 -1.106 6.827 1.00 0.00 C ATOM 344 CG ASP A 23 6.232 0.163 7.500 1.00 0.00 C ATOM 345 OD1 ASP A 23 5.111 0.152 8.052 1.00 0.00 O ATOM 346 OD2 ASP A 23 6.973 1.168 7.476 1.00 0.00 O ATOM 0 H ASP A 23 5.156 -2.011 8.505 1.00 0.00 H new ATOM 0 HA ASP A 23 4.901 -1.524 5.758 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.403 -1.629 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.280 -0.846 5.931 1.00 0.00 H new ATOM 351 N GLY A 24 5.740 -3.467 4.494 1.00 0.00 N ATOM 352 CA GLY A 24 6.202 -4.620 3.743 1.00 0.00 C ATOM 353 C GLY A 24 5.420 -5.876 4.073 1.00 0.00 C ATOM 354 O GLY A 24 5.932 -6.987 3.936 1.00 0.00 O ATOM 0 H GLY A 24 5.125 -2.837 3.978 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.118 -4.413 2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.258 -4.787 3.953 1.00 0.00 H new ATOM 358 N GLY A 25 4.177 -5.700 4.509 1.00 0.00 N ATOM 359 CA GLY A 25 3.343 -6.837 4.852 1.00 0.00 C ATOM 360 C GLY A 25 2.940 -7.648 3.636 1.00 0.00 C ATOM 361 O GLY A 25 2.217 -7.159 2.768 1.00 0.00 O ATOM 0 H GLY A 25 3.732 -4.790 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.879 -7.479 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.447 -6.485 5.364 1.00 0.00 H new ATOM 365 N HIS A 26 3.408 -8.890 3.572 1.00 0.00 N ATOM 366 CA HIS A 26 3.092 -9.770 2.452 1.00 0.00 C ATOM 367 C HIS A 26 1.591 -10.029 2.369 1.00 0.00 C ATOM 368 O HIS A 26 0.984 -10.533 3.313 1.00 0.00 O ATOM 369 CB HIS A 26 3.843 -11.095 2.590 1.00 0.00 C ATOM 370 CG HIS A 26 3.607 -11.784 3.898 1.00 0.00 C ATOM 371 ND1 HIS A 26 4.398 -11.581 5.010 1.00 0.00 N ATOM 372 CD2 HIS A 26 2.661 -12.678 4.271 1.00 0.00 C ATOM 373 CE1 HIS A 26 3.949 -12.321 6.008 1.00 0.00 C ATOM 374 NE2 HIS A 26 2.896 -12.995 5.586 1.00 0.00 N ATOM 0 H HIS A 26 4.007 -9.310 4.282 1.00 0.00 H new ATOM 0 HA HIS A 26 3.408 -9.275 1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.543 -11.759 1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.911 -10.912 2.473 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.869 -13.069 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.372 -12.367 7.001 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.346 -13.646 6.146 1.00 0.00 H new ATOM 383 N VAL A 27 0.999 -9.680 1.231 1.00 0.00 N ATOM 384 CA VAL A 27 -0.431 -9.875 1.023 1.00 0.00 C ATOM 385 C VAL A 27 -0.733 -10.218 -0.432 1.00 0.00 C ATOM 386 O VAL A 27 -0.194 -9.601 -1.351 1.00 0.00 O ATOM 387 CB VAL A 27 -1.233 -8.620 1.418 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.086 -8.339 2.906 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.789 -7.420 0.595 1.00 0.00 C ATOM 0 H VAL A 27 1.487 -9.261 0.440 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.732 -10.706 1.661 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.287 -8.804 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.659 -7.449 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.459 -9.190 3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.035 -8.176 3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.367 -6.544 0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.270 -7.231 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.952 -7.624 -0.463 1.00 0.00 H new ATOM 399 N GLU A 28 -1.599 -11.206 -0.635 1.00 0.00 N ATOM 400 CA GLU A 28 -1.972 -11.630 -1.980 1.00 0.00 C ATOM 401 C GLU A 28 -3.088 -10.752 -2.537 1.00 0.00 C ATOM 402 O GLU A 28 -3.768 -10.046 -1.792 1.00 0.00 O ATOM 403 CB GLU A 28 -2.411 -13.096 -1.973 1.00 0.00 C ATOM 404 CG GLU A 28 -3.739 -13.333 -1.270 1.00 0.00 C ATOM 405 CD GLU A 28 -3.623 -14.304 -0.112 1.00 0.00 C ATOM 406 OE1 GLU A 28 -3.748 -15.525 -0.345 1.00 0.00 O ATOM 407 OE2 GLU A 28 -3.408 -13.845 1.030 1.00 0.00 O ATOM 0 H GLU A 28 -2.055 -11.727 0.114 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.098 -11.525 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.487 -13.448 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.641 -13.695 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.126 -12.382 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.463 -13.716 -1.989 1.00 0.00 H new ATOM 414 N ALA A 29 -3.273 -10.802 -3.854 1.00 0.00 N ATOM 415 CA ALA A 29 -4.309 -10.014 -4.517 1.00 0.00 C ATOM 416 C ALA A 29 -5.650 -10.139 -3.799 1.00 0.00 C ATOM 417 O ALA A 29 -6.115 -11.243 -3.520 1.00 0.00 O ATOM 418 CB ALA A 29 -4.446 -10.442 -5.970 1.00 0.00 C ATOM 0 H ALA A 29 -2.718 -11.381 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.008 -8.967 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.221 -9.847 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.498 -10.289 -6.485 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.717 -11.497 -6.015 1.00 0.00 H new ATOM 424 N GLY A 30 -6.267 -8.998 -3.505 1.00 0.00 N ATOM 425 CA GLY A 30 -7.548 -9.004 -2.824 1.00 0.00 C ATOM 426 C GLY A 30 -7.413 -8.843 -1.322 1.00 0.00 C ATOM 427 O GLY A 30 -8.344 -8.393 -0.654 1.00 0.00 O ATOM 0 H GLY A 30 -5.903 -8.071 -3.726 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.168 -8.198 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.065 -9.939 -3.040 1.00 0.00 H new ATOM 431 N SER A 31 -6.252 -9.211 -0.789 1.00 0.00 N ATOM 432 CA SER A 31 -6.002 -9.105 0.644 1.00 0.00 C ATOM 433 C SER A 31 -5.841 -7.647 1.063 1.00 0.00 C ATOM 434 O SER A 31 -5.028 -6.915 0.499 1.00 0.00 O ATOM 435 CB SER A 31 -4.749 -9.897 1.023 1.00 0.00 C ATOM 436 OG SER A 31 -4.403 -9.685 2.381 1.00 0.00 O ATOM 0 H SER A 31 -5.470 -9.585 -1.327 1.00 0.00 H new ATOM 0 HA SER A 31 -6.861 -9.522 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.920 -10.959 0.850 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.919 -9.599 0.382 1.00 0.00 H new ATOM 0 HG SER A 31 -3.600 -10.203 2.599 1.00 0.00 H new ATOM 442 N SER A 32 -6.622 -7.233 2.055 1.00 0.00 N ATOM 443 CA SER A 32 -6.566 -5.862 2.550 1.00 0.00 C ATOM 444 C SER A 32 -5.229 -5.586 3.230 1.00 0.00 C ATOM 445 O SER A 32 -4.733 -6.406 4.003 1.00 0.00 O ATOM 446 CB SER A 32 -7.712 -5.603 3.529 1.00 0.00 C ATOM 447 OG SER A 32 -7.681 -6.523 4.607 1.00 0.00 O ATOM 0 H SER A 32 -7.301 -7.826 2.532 1.00 0.00 H new ATOM 0 HA SER A 32 -6.667 -5.189 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.643 -4.585 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.665 -5.682 3.007 1.00 0.00 H new ATOM 0 HG SER A 32 -8.423 -6.335 5.219 1.00 0.00 H new ATOM 453 N TYR A 33 -4.649 -4.426 2.937 1.00 0.00 N ATOM 454 CA TYR A 33 -3.368 -4.043 3.521 1.00 0.00 C ATOM 455 C TYR A 33 -3.515 -2.829 4.439 1.00 0.00 C ATOM 456 O TYR A 33 -2.606 -2.508 5.205 1.00 0.00 O ATOM 457 CB TYR A 33 -2.349 -3.745 2.417 1.00 0.00 C ATOM 458 CG TYR A 33 -2.640 -2.479 1.642 1.00 0.00 C ATOM 459 CD1 TYR A 33 -2.123 -1.256 2.053 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.430 -2.506 0.499 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.386 -0.097 1.348 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.696 -1.351 -0.211 1.00 0.00 C ATOM 463 CZ TYR A 33 -3.172 -0.150 0.217 1.00 0.00 C ATOM 464 OH TYR A 33 -3.436 1.002 -0.487 1.00 0.00 O ATOM 0 H TYR A 33 -5.045 -3.736 2.299 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.012 -4.880 4.121 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.357 -3.667 2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.322 -4.586 1.724 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.506 -1.211 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.843 -3.445 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.978 0.846 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.312 -1.389 -1.097 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.633 1.563 -0.510 1.00 0.00 H new ATOM 474 N ALA A 34 -4.660 -2.157 4.358 1.00 0.00 N ATOM 475 CA ALA A 34 -4.915 -0.982 5.182 1.00 0.00 C ATOM 476 C ALA A 34 -6.355 -0.510 5.033 1.00 0.00 C ATOM 477 O ALA A 34 -7.176 -1.177 4.402 1.00 0.00 O ATOM 478 CB ALA A 34 -3.951 0.138 4.818 1.00 0.00 C ATOM 0 H ALA A 34 -5.424 -2.407 3.731 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.756 -1.259 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.153 1.009 5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.927 -0.196 4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.082 0.404 3.769 1.00 0.00 H new ATOM 484 N GLU A 35 -6.656 0.642 5.619 1.00 0.00 N ATOM 485 CA GLU A 35 -7.999 1.205 5.553 1.00 0.00 C ATOM 486 C GLU A 35 -7.945 2.728 5.522 1.00 0.00 C ATOM 487 O GLU A 35 -6.942 3.331 5.905 1.00 0.00 O ATOM 488 CB GLU A 35 -8.829 0.736 6.751 1.00 0.00 C ATOM 489 CG GLU A 35 -8.652 -0.738 7.077 1.00 0.00 C ATOM 490 CD GLU A 35 -9.813 -1.302 7.872 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.974 -1.069 7.475 1.00 0.00 O ATOM 492 OE2 GLU A 35 -9.562 -1.978 8.892 1.00 0.00 O ATOM 0 H GLU A 35 -5.988 1.205 6.146 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.471 0.856 4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.556 1.328 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.883 0.931 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.544 -1.301 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.730 -0.873 7.642 1.00 0.00 H new ATOM 499 N MET A 36 -9.028 3.346 5.064 1.00 0.00 N ATOM 500 CA MET A 36 -9.098 4.800 4.984 1.00 0.00 C ATOM 501 C MET A 36 -10.538 5.284 5.117 1.00 0.00 C ATOM 502 O MET A 36 -11.429 4.817 4.408 1.00 0.00 O ATOM 503 CB MET A 36 -8.502 5.289 3.663 1.00 0.00 C ATOM 504 CG MET A 36 -9.284 4.843 2.438 1.00 0.00 C ATOM 505 SD MET A 36 -8.300 4.896 0.928 1.00 0.00 S ATOM 506 CE MET A 36 -8.689 6.538 0.328 1.00 0.00 C ATOM 0 H MET A 36 -9.868 2.864 4.743 1.00 0.00 H new ATOM 0 HA MET A 36 -8.518 5.212 5.810 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.455 6.378 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.477 4.927 3.581 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.648 3.828 2.594 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.160 5.481 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 36 -7.861 6.911 -0.275 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.592 6.498 -0.281 1.00 0.00 H new ATOM 0 HE3 MET A 36 -8.851 7.206 1.174 1.00 0.00 H new ATOM 516 N GLU A 37 -10.757 6.224 6.031 1.00 0.00 N ATOM 517 CA GLU A 37 -12.088 6.773 6.259 1.00 0.00 C ATOM 518 C GLU A 37 -12.334 7.989 5.371 1.00 0.00 C ATOM 519 O GLU A 37 -11.720 9.040 5.556 1.00 0.00 O ATOM 520 CB GLU A 37 -12.260 7.158 7.729 1.00 0.00 C ATOM 521 CG GLU A 37 -13.711 7.229 8.174 1.00 0.00 C ATOM 522 CD GLU A 37 -13.879 6.977 9.660 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.634 7.912 10.452 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.253 5.846 10.032 1.00 0.00 O ATOM 0 H GLU A 37 -10.030 6.621 6.626 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.818 6.005 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.734 6.433 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.789 8.126 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.115 8.211 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.294 6.496 7.617 1.00 0.00 H new ATOM 531 N VAL A 38 -13.236 7.837 4.408 1.00 0.00 N ATOM 532 CA VAL A 38 -13.567 8.922 3.490 1.00 0.00 C ATOM 533 C VAL A 38 -14.746 9.734 4.016 1.00 0.00 C ATOM 534 O VAL A 38 -15.367 9.366 5.013 1.00 0.00 O ATOM 535 CB VAL A 38 -13.909 8.392 2.080 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.581 9.434 1.022 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.173 7.090 1.794 1.00 0.00 C ATOM 0 H VAL A 38 -13.752 6.973 4.242 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.685 9.559 3.420 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.980 8.190 2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.829 9.042 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.161 10.338 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.518 9.670 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.431 6.738 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -12.098 7.259 1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.463 6.339 2.529 1.00 0.00 H new ATOM 547 N MET A 39 -15.051 10.839 3.344 1.00 0.00 N ATOM 548 CA MET A 39 -16.157 11.698 3.750 1.00 0.00 C ATOM 549 C MET A 39 -17.470 10.920 3.763 1.00 0.00 C ATOM 550 O MET A 39 -18.372 11.219 4.546 1.00 0.00 O ATOM 551 CB MET A 39 -16.271 12.899 2.810 1.00 0.00 C ATOM 552 CG MET A 39 -14.953 13.623 2.585 1.00 0.00 C ATOM 553 SD MET A 39 -14.883 15.221 3.418 1.00 0.00 S ATOM 554 CE MET A 39 -14.519 16.305 2.040 1.00 0.00 C ATOM 0 H MET A 39 -14.548 11.160 2.517 1.00 0.00 H new ATOM 0 HA MET A 39 -15.956 12.056 4.760 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.660 12.562 1.849 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.997 13.602 3.219 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.134 12.997 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.802 13.769 1.515 1.00 0.00 H new ATOM 0 HE1 MET A 39 -14.445 17.333 2.395 1.00 0.00 H new ATOM 0 HE2 MET A 39 -13.574 16.009 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 39 -15.317 16.234 1.300 1.00 0.00 H new ATOM 564 N LYS A 40 -17.568 9.920 2.894 1.00 0.00 N ATOM 565 CA LYS A 40 -18.768 9.097 2.808 1.00 0.00 C ATOM 566 C LYS A 40 -18.811 8.081 3.945 1.00 0.00 C ATOM 567 O LYS A 40 -19.595 8.219 4.884 1.00 0.00 O ATOM 568 CB LYS A 40 -18.821 8.375 1.460 1.00 0.00 C ATOM 569 CG LYS A 40 -19.473 9.192 0.357 1.00 0.00 C ATOM 570 CD LYS A 40 -18.640 10.412 0.000 1.00 0.00 C ATOM 571 CE LYS A 40 -19.179 11.669 0.665 1.00 0.00 C ATOM 572 NZ LYS A 40 -20.427 12.151 0.012 1.00 0.00 N ATOM 0 H LYS A 40 -16.831 9.660 2.239 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.636 9.751 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.807 8.115 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.368 7.440 1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.606 8.570 -0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.466 9.509 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.607 10.251 0.307 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.634 10.546 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.375 11.467 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.423 12.453 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.669 13.094 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.282 12.206 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.203 11.490 0.217 1.00 0.00 H new ATOM 586 N MET A 41 -17.963 7.062 3.854 1.00 0.00 N ATOM 587 CA MET A 41 -17.903 6.023 4.876 1.00 0.00 C ATOM 588 C MET A 41 -16.502 5.425 4.964 1.00 0.00 C ATOM 589 O MET A 41 -15.557 5.940 4.367 1.00 0.00 O ATOM 590 CB MET A 41 -18.923 4.923 4.573 1.00 0.00 C ATOM 591 CG MET A 41 -19.658 4.419 5.804 1.00 0.00 C ATOM 592 SD MET A 41 -21.350 3.911 5.444 1.00 0.00 S ATOM 593 CE MET A 41 -21.060 2.455 4.443 1.00 0.00 C ATOM 0 H MET A 41 -17.308 6.933 3.083 1.00 0.00 H new ATOM 0 HA MET A 41 -18.144 6.478 5.837 1.00 0.00 H new ATOM 0 HB2 MET A 41 -19.651 5.302 3.855 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.412 4.086 4.097 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.112 3.576 6.228 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.672 5.203 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 41 -22.015 2.025 4.141 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.490 2.731 3.556 1.00 0.00 H new ATOM 0 HE3 MET A 41 -20.499 1.722 5.022 1.00 0.00 H new ATOM 603 N ILE A 42 -16.377 4.333 5.712 1.00 0.00 N ATOM 604 CA ILE A 42 -15.093 3.661 5.878 1.00 0.00 C ATOM 605 C ILE A 42 -14.803 2.739 4.698 1.00 0.00 C ATOM 606 O ILE A 42 -15.721 2.205 4.076 1.00 0.00 O ATOM 607 CB ILE A 42 -15.056 2.841 7.185 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.700 2.150 7.351 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.181 1.818 7.198 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.530 3.109 7.393 1.00 0.00 C ATOM 0 H ILE A 42 -17.150 3.895 6.213 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.328 4.436 5.925 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.196 3.522 8.024 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.711 1.564 8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.556 1.450 6.528 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.143 1.247 8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.140 2.331 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.068 1.142 6.351 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.603 2.547 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.492 3.678 6.464 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.650 3.793 8.233 1.00 0.00 H new ATOM 622 N MET A 43 -13.522 2.556 4.395 1.00 0.00 N ATOM 623 CA MET A 43 -13.116 1.698 3.289 1.00 0.00 C ATOM 624 C MET A 43 -11.815 0.968 3.609 1.00 0.00 C ATOM 625 O MET A 43 -11.057 1.384 4.485 1.00 0.00 O ATOM 626 CB MET A 43 -12.950 2.521 2.011 1.00 0.00 C ATOM 627 CG MET A 43 -14.265 2.841 1.318 1.00 0.00 C ATOM 628 SD MET A 43 -14.053 3.916 -0.114 1.00 0.00 S ATOM 629 CE MET A 43 -15.709 3.902 -0.796 1.00 0.00 C ATOM 0 H MET A 43 -12.749 2.990 4.899 1.00 0.00 H new ATOM 0 HA MET A 43 -13.899 0.955 3.137 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.440 3.454 2.253 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.307 1.977 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.740 1.912 1.003 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.939 3.319 2.029 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.739 4.525 -1.690 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.987 2.880 -1.055 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.410 4.292 -0.058 1.00 0.00 H new ATOM 639 N THR A 44 -11.565 -0.123 2.892 1.00 0.00 N ATOM 640 CA THR A 44 -10.356 -0.915 3.096 1.00 0.00 C ATOM 641 C THR A 44 -9.519 -0.967 1.822 1.00 0.00 C ATOM 642 O THR A 44 -10.037 -1.231 0.738 1.00 0.00 O ATOM 643 CB THR A 44 -10.717 -2.336 3.539 1.00 0.00 C ATOM 644 OG1 THR A 44 -12.087 -2.423 3.888 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.911 -2.816 4.727 1.00 0.00 C ATOM 0 H THR A 44 -12.184 -0.479 2.164 1.00 0.00 H new ATOM 0 HA THR A 44 -9.768 -0.436 3.879 1.00 0.00 H new ATOM 0 HB THR A 44 -10.487 -2.970 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.296 -3.339 4.166 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.217 -3.829 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.851 -2.811 4.473 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.084 -2.154 5.576 1.00 0.00 H new ATOM 653 N LEU A 45 -8.222 -0.718 1.962 1.00 0.00 N ATOM 654 CA LEU A 45 -7.314 -0.741 0.822 1.00 0.00 C ATOM 655 C LEU A 45 -6.688 -2.122 0.659 1.00 0.00 C ATOM 656 O LEU A 45 -6.167 -2.695 1.616 1.00 0.00 O ATOM 657 CB LEU A 45 -6.218 0.313 0.992 1.00 0.00 C ATOM 658 CG LEU A 45 -6.721 1.737 1.236 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.992 1.960 2.716 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.715 2.753 0.716 1.00 0.00 C ATOM 0 H LEU A 45 -7.776 -0.498 2.853 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.889 -0.512 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.581 0.021 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.593 0.313 0.099 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.656 1.871 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.349 2.978 2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.749 1.254 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.072 1.808 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.089 3.761 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.764 2.620 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.571 2.607 -0.354 1.00 0.00 H new ATOM 672 N ASN A 46 -6.746 -2.654 -0.557 1.00 0.00 N ATOM 673 CA ASN A 46 -6.186 -3.971 -0.842 1.00 0.00 C ATOM 674 C ASN A 46 -5.238 -3.914 -2.035 1.00 0.00 C ATOM 675 O ASN A 46 -5.137 -2.892 -2.713 1.00 0.00 O ATOM 676 CB ASN A 46 -7.307 -4.975 -1.115 1.00 0.00 C ATOM 677 CG ASN A 46 -8.275 -4.486 -2.175 1.00 0.00 C ATOM 678 OD1 ASN A 46 -8.180 -4.866 -3.342 1.00 0.00 O ATOM 679 ND2 ASN A 46 -9.215 -3.638 -1.773 1.00 0.00 N ATOM 0 H ASN A 46 -7.174 -2.195 -1.361 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.621 -4.295 0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.873 -5.923 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.852 -5.168 -0.191 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.895 -3.276 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.257 -3.349 -0.796 1.00 0.00 H new ATOM 686 N VAL A 47 -4.544 -5.020 -2.283 1.00 0.00 N ATOM 687 CA VAL A 47 -3.602 -5.098 -3.393 1.00 0.00 C ATOM 688 C VAL A 47 -4.267 -5.675 -4.638 1.00 0.00 C ATOM 689 O VAL A 47 -5.185 -6.489 -4.542 1.00 0.00 O ATOM 690 CB VAL A 47 -2.379 -5.961 -3.032 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.553 -5.290 -1.945 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.818 -7.351 -2.597 1.00 0.00 C ATOM 0 H VAL A 47 -4.616 -5.874 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.271 -4.080 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.754 -6.063 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.693 -5.915 -1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.208 -4.318 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.166 -5.155 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.941 -7.947 -2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.465 -7.271 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.363 -7.831 -3.410 1.00 0.00 H new ATOM 702 N GLN A 48 -3.795 -5.250 -5.805 1.00 0.00 N ATOM 703 CA GLN A 48 -4.345 -5.727 -7.070 1.00 0.00 C ATOM 704 C GLN A 48 -3.677 -7.030 -7.508 1.00 0.00 C ATOM 705 O GLN A 48 -4.182 -7.728 -8.387 1.00 0.00 O ATOM 706 CB GLN A 48 -4.188 -4.664 -8.164 1.00 0.00 C ATOM 707 CG GLN A 48 -2.832 -3.976 -8.172 1.00 0.00 C ATOM 708 CD GLN A 48 -1.676 -4.954 -8.244 1.00 0.00 C ATOM 709 OE1 GLN A 48 -1.472 -5.618 -9.260 1.00 0.00 O ATOM 710 NE2 GLN A 48 -0.912 -5.049 -7.161 1.00 0.00 N ATOM 0 H GLN A 48 -3.034 -4.577 -5.902 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.406 -5.921 -6.916 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.352 -5.131 -9.135 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.965 -3.910 -8.037 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.780 -3.296 -9.022 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.733 -3.369 -7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.118 -4.479 -6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.120 -5.692 -7.150 1.00 0.00 H new ATOM 719 N GLU A 49 -2.542 -7.354 -6.893 1.00 0.00 N ATOM 720 CA GLU A 49 -1.816 -8.574 -7.227 1.00 0.00 C ATOM 721 C GLU A 49 -0.969 -9.044 -6.050 1.00 0.00 C ATOM 722 O GLU A 49 -0.840 -8.343 -5.046 1.00 0.00 O ATOM 723 CB GLU A 49 -0.926 -8.346 -8.450 1.00 0.00 C ATOM 724 CG GLU A 49 -1.684 -8.372 -9.768 1.00 0.00 C ATOM 725 CD GLU A 49 -2.390 -9.692 -10.007 1.00 0.00 C ATOM 726 OE1 GLU A 49 -1.753 -10.750 -9.815 1.00 0.00 O ATOM 727 OE2 GLU A 49 -3.580 -9.669 -10.387 1.00 0.00 O ATOM 0 H GLU A 49 -2.107 -6.790 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.548 -9.348 -7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.423 -7.384 -8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.150 -9.111 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.417 -7.565 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.990 -8.182 -10.586 1.00 0.00 H new ATOM 734 N ARG A 50 -0.393 -10.234 -6.180 1.00 0.00 N ATOM 735 CA ARG A 50 0.443 -10.799 -5.127 1.00 0.00 C ATOM 736 C ARG A 50 1.739 -10.008 -4.977 1.00 0.00 C ATOM 737 O ARG A 50 2.394 -9.676 -5.966 1.00 0.00 O ATOM 738 CB ARG A 50 0.759 -12.265 -5.428 1.00 0.00 C ATOM 739 CG ARG A 50 -0.386 -13.211 -5.110 1.00 0.00 C ATOM 740 CD ARG A 50 -1.422 -13.228 -6.223 1.00 0.00 C ATOM 741 NE ARG A 50 -0.885 -13.785 -7.462 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.466 -13.645 -8.651 1.00 0.00 C ATOM 743 NH1 ARG A 50 -2.602 -12.968 -8.766 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.911 -14.183 -9.728 1.00 0.00 N ATOM 0 H ARG A 50 -0.490 -10.826 -7.005 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.109 -10.739 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.018 -12.363 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.636 -12.564 -4.855 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.004 -14.218 -4.959 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.859 -12.909 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.285 -13.814 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.775 -12.213 -6.405 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.013 -14.312 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.034 -12.552 -7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.043 -12.864 -9.680 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.038 -14.705 -9.646 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.357 -14.075 -10.639 1.00 0.00 H new ATOM 758 N GLY A 51 2.103 -9.708 -3.735 1.00 0.00 N ATOM 759 CA GLY A 51 3.319 -8.959 -3.478 1.00 0.00 C ATOM 760 C GLY A 51 3.353 -8.373 -2.080 1.00 0.00 C ATOM 761 O GLY A 51 2.374 -8.461 -1.339 1.00 0.00 O ATOM 0 H GLY A 51 1.577 -9.970 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.181 -9.612 -3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.408 -8.155 -4.208 1.00 0.00 H new ATOM 765 N ARG A 52 4.483 -7.775 -1.717 1.00 0.00 N ATOM 766 CA ARG A 52 4.638 -7.173 -0.398 1.00 0.00 C ATOM 767 C ARG A 52 4.317 -5.683 -0.438 1.00 0.00 C ATOM 768 O ARG A 52 4.934 -4.924 -1.185 1.00 0.00 O ATOM 769 CB ARG A 52 6.062 -7.388 0.122 1.00 0.00 C ATOM 770 CG ARG A 52 6.205 -8.608 1.017 1.00 0.00 C ATOM 771 CD ARG A 52 7.394 -9.465 0.611 1.00 0.00 C ATOM 772 NE ARG A 52 8.666 -8.847 0.980 1.00 0.00 N ATOM 773 CZ ARG A 52 9.838 -9.475 0.927 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.904 -10.737 0.521 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.947 -8.840 1.280 1.00 0.00 N ATOM 0 H ARG A 52 5.304 -7.694 -2.317 1.00 0.00 H new ATOM 0 HA ARG A 52 3.936 -7.659 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.738 -7.489 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.375 -6.503 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.323 -8.288 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.293 -9.204 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.315 -10.443 1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.370 -9.631 -0.466 1.00 0.00 H new ATOM 0 HE ARG A 52 8.655 -7.877 1.297 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.054 -11.230 0.248 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.805 -11.214 0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.902 -7.870 1.592 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.845 -9.321 1.239 1.00 0.00 H new ATOM 789 N VAL A 53 3.346 -5.272 0.371 1.00 0.00 N ATOM 790 CA VAL A 53 2.940 -3.873 0.429 1.00 0.00 C ATOM 791 C VAL A 53 3.867 -3.070 1.334 1.00 0.00 C ATOM 792 O VAL A 53 4.087 -3.432 2.490 1.00 0.00 O ATOM 793 CB VAL A 53 1.494 -3.728 0.937 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.023 -2.288 0.808 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.566 -4.670 0.185 1.00 0.00 C ATOM 0 H VAL A 53 2.826 -5.888 0.995 1.00 0.00 H new ATOM 0 HA VAL A 53 3.000 -3.484 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 53 1.471 -3.999 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.001 -2.206 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.671 -1.639 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.061 -1.985 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.451 -4.553 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.592 -4.434 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.892 -5.699 0.336 1.00 0.00 H new ATOM 805 N LYS A 54 4.405 -1.976 0.804 1.00 0.00 N ATOM 806 CA LYS A 54 5.306 -1.121 1.568 1.00 0.00 C ATOM 807 C LYS A 54 4.697 0.262 1.769 1.00 0.00 C ATOM 808 O LYS A 54 4.549 1.030 0.820 1.00 0.00 O ATOM 809 CB LYS A 54 6.654 -1.000 0.857 1.00 0.00 C ATOM 810 CG LYS A 54 7.536 -2.229 1.012 1.00 0.00 C ATOM 811 CD LYS A 54 8.317 -2.193 2.316 1.00 0.00 C ATOM 812 CE LYS A 54 9.584 -1.364 2.183 1.00 0.00 C ATOM 813 NZ LYS A 54 10.576 -1.692 3.245 1.00 0.00 N ATOM 0 H LYS A 54 4.233 -1.661 -0.151 1.00 0.00 H new ATOM 0 HA LYS A 54 5.461 -1.577 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.481 -0.819 -0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.184 -0.131 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.919 -3.127 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.229 -2.289 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.690 -1.778 3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.575 -3.209 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.030 -1.537 1.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.332 -0.305 2.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.426 -1.106 3.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.160 -1.503 4.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.836 -2.697 3.179 1.00 0.00 H new ATOM 827 N TYR A 55 4.342 0.572 3.012 1.00 0.00 N ATOM 828 CA TYR A 55 3.745 1.862 3.341 1.00 0.00 C ATOM 829 C TYR A 55 4.658 3.014 2.932 1.00 0.00 C ATOM 830 O TYR A 55 5.857 2.999 3.210 1.00 0.00 O ATOM 831 CB TYR A 55 3.447 1.941 4.839 1.00 0.00 C ATOM 832 CG TYR A 55 2.094 1.382 5.217 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.632 0.195 4.663 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.279 2.041 6.129 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.396 -0.319 5.007 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.042 1.533 6.477 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.395 0.353 5.914 1.00 0.00 C ATOM 838 OH TYR A 55 -1.626 -0.156 6.258 1.00 0.00 O ATOM 0 H TYR A 55 4.458 -0.054 3.809 1.00 0.00 H new ATOM 0 HA TYR A 55 2.813 1.951 2.784 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.220 1.399 5.384 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.503 2.982 5.158 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.249 -0.335 3.952 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.618 2.965 6.573 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.051 -1.243 4.567 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.580 2.058 7.187 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.736 -1.044 5.859 1.00 0.00 H new ATOM 848 N ILE A 56 4.079 4.015 2.275 1.00 0.00 N ATOM 849 CA ILE A 56 4.835 5.182 1.832 1.00 0.00 C ATOM 850 C ILE A 56 4.528 6.386 2.718 1.00 0.00 C ATOM 851 O ILE A 56 5.429 6.991 3.299 1.00 0.00 O ATOM 852 CB ILE A 56 4.526 5.521 0.350 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.481 4.769 -0.583 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.619 7.021 0.092 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.597 3.291 -0.279 1.00 0.00 C ATOM 0 H ILE A 56 3.087 4.041 2.037 1.00 0.00 H new ATOM 0 HA ILE A 56 5.895 4.942 1.914 1.00 0.00 H new ATOM 0 HB ILE A 56 3.504 5.203 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.141 4.893 -1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.470 5.222 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.397 7.224 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.901 7.544 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.626 7.368 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.290 2.828 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.967 3.157 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.618 2.822 -0.374 1.00 0.00 H new ATOM 867 N LYS A 57 3.249 6.724 2.814 1.00 0.00 N ATOM 868 CA LYS A 57 2.813 7.851 3.624 1.00 0.00 C ATOM 869 C LYS A 57 2.931 7.530 5.111 1.00 0.00 C ATOM 870 O LYS A 57 3.243 6.401 5.489 1.00 0.00 O ATOM 871 CB LYS A 57 1.369 8.211 3.273 1.00 0.00 C ATOM 872 CG LYS A 57 1.220 9.585 2.641 1.00 0.00 C ATOM 873 CD LYS A 57 1.696 10.685 3.576 1.00 0.00 C ATOM 874 CE LYS A 57 1.702 12.039 2.885 1.00 0.00 C ATOM 875 NZ LYS A 57 2.695 12.092 1.777 1.00 0.00 N ATOM 0 H LYS A 57 2.493 6.231 2.338 1.00 0.00 H new ATOM 0 HA LYS A 57 3.458 8.703 3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.973 7.461 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.763 8.169 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.791 9.623 1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.175 9.755 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.048 10.725 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.700 10.452 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.708 12.250 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.929 12.817 3.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.867 13.083 1.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.587 11.658 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.326 11.572 0.955 1.00 0.00 H new ATOM 889 N ARG A 58 2.682 8.530 5.950 1.00 0.00 N ATOM 890 CA ARG A 58 2.761 8.352 7.395 1.00 0.00 C ATOM 891 C ARG A 58 1.397 7.980 7.973 1.00 0.00 C ATOM 892 O ARG A 58 0.370 8.146 7.317 1.00 0.00 O ATOM 893 CB ARG A 58 3.280 9.629 8.059 1.00 0.00 C ATOM 894 CG ARG A 58 4.785 9.634 8.274 1.00 0.00 C ATOM 895 CD ARG A 58 5.536 9.543 6.956 1.00 0.00 C ATOM 896 NE ARG A 58 6.978 9.695 7.136 1.00 0.00 N ATOM 897 CZ ARG A 58 7.861 9.620 6.143 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.454 9.396 4.899 1.00 0.00 N ATOM 899 NH2 ARG A 58 9.155 9.769 6.393 1.00 0.00 N ATOM 0 H ARG A 58 2.424 9.471 5.654 1.00 0.00 H new ATOM 0 HA ARG A 58 3.456 7.537 7.599 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.006 10.486 7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.783 9.756 9.021 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.076 10.545 8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.065 8.796 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.329 8.582 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.172 10.314 6.277 1.00 0.00 H new ATOM 0 HE ARG A 58 7.329 9.869 8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.460 9.280 4.701 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.135 9.340 4.142 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.474 9.941 7.347 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.831 9.711 5.632 1.00 0.00 H new ATOM 913 N PRO A 59 1.371 7.468 9.217 1.00 0.00 N ATOM 914 CA PRO A 59 0.124 7.073 9.880 1.00 0.00 C ATOM 915 C PRO A 59 -0.748 8.272 10.234 1.00 0.00 C ATOM 916 O PRO A 59 -0.277 9.243 10.825 1.00 0.00 O ATOM 917 CB PRO A 59 0.604 6.366 11.150 1.00 0.00 C ATOM 918 CG PRO A 59 1.951 6.940 11.418 1.00 0.00 C ATOM 919 CD PRO A 59 2.551 7.236 10.071 1.00 0.00 C ATOM 0 HA PRO A 59 -0.498 6.448 9.239 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.075 6.545 11.983 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.655 5.287 11.007 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.876 7.846 12.019 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.571 6.237 11.975 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.202 8.110 10.104 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.153 6.404 9.707 1.00 0.00 H new ATOM 927 N GLY A 60 -2.022 8.195 9.866 1.00 0.00 N ATOM 928 CA GLY A 60 -2.945 9.279 10.149 1.00 0.00 C ATOM 929 C GLY A 60 -2.978 10.326 9.049 1.00 0.00 C ATOM 930 O GLY A 60 -3.899 11.141 8.990 1.00 0.00 O ATOM 0 H GLY A 60 -2.433 7.400 9.376 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.946 8.871 10.286 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.663 9.754 11.088 1.00 0.00 H new ATOM 934 N ALA A 61 -1.972 10.307 8.178 1.00 0.00 N ATOM 935 CA ALA A 61 -1.892 11.264 7.079 1.00 0.00 C ATOM 936 C ALA A 61 -3.140 11.213 6.206 1.00 0.00 C ATOM 937 O ALA A 61 -3.737 10.153 6.018 1.00 0.00 O ATOM 938 CB ALA A 61 -0.650 10.999 6.242 1.00 0.00 C ATOM 0 H ALA A 61 -1.202 9.639 8.212 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.826 12.264 7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.601 11.719 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.238 11.098 6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.695 9.990 5.833 1.00 0.00 H new ATOM 944 N VAL A 62 -3.527 12.367 5.670 1.00 0.00 N ATOM 945 CA VAL A 62 -4.701 12.455 4.811 1.00 0.00 C ATOM 946 C VAL A 62 -4.386 11.959 3.404 1.00 0.00 C ATOM 947 O VAL A 62 -3.424 12.406 2.779 1.00 0.00 O ATOM 948 CB VAL A 62 -5.230 13.899 4.728 1.00 0.00 C ATOM 949 CG1 VAL A 62 -6.561 13.939 3.993 1.00 0.00 C ATOM 950 CG2 VAL A 62 -5.362 14.500 6.119 1.00 0.00 C ATOM 0 H VAL A 62 -3.044 13.253 5.816 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.469 11.821 5.256 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.513 14.497 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.919 14.967 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.430 13.552 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.289 13.326 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.737 15.520 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.057 13.902 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.387 14.508 6.606 1.00 0.00 H new ATOM 960 N LEU A 63 -5.199 11.031 2.912 1.00 0.00 N ATOM 961 CA LEU A 63 -5.004 10.474 1.579 1.00 0.00 C ATOM 962 C LEU A 63 -5.627 11.373 0.516 1.00 0.00 C ATOM 963 O LEU A 63 -6.638 12.032 0.759 1.00 0.00 O ATOM 964 CB LEU A 63 -5.608 9.070 1.497 1.00 0.00 C ATOM 965 CG LEU A 63 -4.661 7.935 1.891 1.00 0.00 C ATOM 966 CD1 LEU A 63 -4.052 8.197 3.260 1.00 0.00 C ATOM 967 CD2 LEU A 63 -5.396 6.602 1.879 1.00 0.00 C ATOM 0 H LEU A 63 -5.999 10.649 3.416 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.932 10.412 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.486 9.030 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.953 8.898 0.477 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.853 7.891 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.381 7.379 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.492 9.132 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.846 8.269 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.708 5.805 2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.223 6.636 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.784 6.409 0.879 1.00 0.00 H new ATOM 979 N GLU A 64 -5.015 11.394 -0.664 1.00 0.00 N ATOM 980 CA GLU A 64 -5.508 12.212 -1.767 1.00 0.00 C ATOM 981 C GLU A 64 -5.743 11.362 -3.011 1.00 0.00 C ATOM 982 O GLU A 64 -5.020 10.398 -3.262 1.00 0.00 O ATOM 983 CB GLU A 64 -4.514 13.332 -2.081 1.00 0.00 C ATOM 984 CG GLU A 64 -4.043 14.090 -0.851 1.00 0.00 C ATOM 985 CD GLU A 64 -5.176 14.792 -0.130 1.00 0.00 C ATOM 986 OE1 GLU A 64 -5.680 15.805 -0.660 1.00 0.00 O ATOM 987 OE2 GLU A 64 -5.560 14.330 0.966 1.00 0.00 O ATOM 0 H GLU A 64 -4.177 10.854 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.458 12.652 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.648 12.906 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.977 14.034 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.556 13.396 -0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.294 14.825 -1.146 1.00 0.00 H new ATOM 994 N ALA A 65 -6.759 11.726 -3.787 1.00 0.00 N ATOM 995 CA ALA A 65 -7.088 10.996 -5.005 1.00 0.00 C ATOM 996 C ALA A 65 -5.933 11.040 -5.999 1.00 0.00 C ATOM 997 O ALA A 65 -5.750 12.028 -6.711 1.00 0.00 O ATOM 998 CB ALA A 65 -8.351 11.563 -5.636 1.00 0.00 C ATOM 0 H ALA A 65 -7.368 12.521 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.265 9.954 -4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.584 11.008 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.180 11.475 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.195 12.613 -5.882 1.00 0.00 H new ATOM 1004 N GLY A 66 -5.155 9.963 -6.041 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.026 9.899 -6.951 1.00 0.00 C ATOM 1006 C GLY A 66 -2.704 9.742 -6.224 1.00 0.00 C ATOM 1007 O GLY A 66 -1.748 9.193 -6.772 1.00 0.00 O ATOM 0 H GLY A 66 -5.286 9.134 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.162 9.062 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.999 10.805 -7.556 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.650 10.224 -4.986 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.436 10.133 -4.184 1.00 0.00 C ATOM 1013 C CYS A 67 -1.096 8.678 -3.877 1.00 0.00 C ATOM 1014 O CYS A 67 -1.985 7.835 -3.759 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.601 10.916 -2.880 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.105 10.986 -1.867 1.00 0.00 S ATOM 0 H CYS A 67 -3.432 10.681 -4.517 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.617 10.566 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.915 11.933 -3.116 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.402 10.463 -2.296 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.343 11.671 -0.788 1.00 0.00 H new ATOM 1022 N VAL A 68 0.196 8.390 -3.751 1.00 0.00 N ATOM 1023 CA VAL A 68 0.649 7.036 -3.459 1.00 0.00 C ATOM 1024 C VAL A 68 0.549 6.731 -1.969 1.00 0.00 C ATOM 1025 O VAL A 68 1.249 7.330 -1.152 1.00 0.00 O ATOM 1026 CB VAL A 68 2.099 6.811 -3.924 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.455 5.336 -3.851 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.297 7.343 -5.335 1.00 0.00 C ATOM 0 H VAL A 68 0.946 9.075 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.006 6.361 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 68 2.765 7.359 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.483 5.193 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.354 4.988 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.784 4.767 -4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.328 7.175 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.623 6.825 -6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.082 8.411 -5.355 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.328 5.795 -1.623 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.528 5.406 -0.231 1.00 0.00 C ATOM 1040 C VAL A 69 0.508 4.380 0.214 1.00 0.00 C ATOM 1041 O VAL A 69 0.853 4.304 1.394 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.937 4.823 -0.006 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.254 4.749 1.479 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.983 5.647 -0.742 1.00 0.00 C ATOM 0 H VAL A 69 -0.913 5.290 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.415 6.312 0.365 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.958 3.811 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.253 4.335 1.618 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.524 4.110 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.213 5.749 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.970 5.219 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.963 6.673 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.766 5.641 -1.810 1.00 0.00 H new ATOM 1054 N ALA A 70 0.999 3.588 -0.734 1.00 0.00 N ATOM 1055 CA ALA A 70 1.992 2.563 -0.432 1.00 0.00 C ATOM 1056 C ALA A 70 2.642 2.033 -1.709 1.00 0.00 C ATOM 1057 O ALA A 70 2.613 2.691 -2.749 1.00 0.00 O ATOM 1058 CB ALA A 70 1.347 1.430 0.354 1.00 0.00 C ATOM 0 H ALA A 70 0.726 3.636 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 70 2.777 3.012 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.095 0.669 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.939 1.820 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.544 0.989 -0.236 1.00 0.00 H new ATOM 1064 N ARG A 71 3.232 0.843 -1.624 1.00 0.00 N ATOM 1065 CA ARG A 71 3.892 0.233 -2.772 1.00 0.00 C ATOM 1066 C ARG A 71 3.577 -1.257 -2.852 1.00 0.00 C ATOM 1067 O ARG A 71 2.814 -1.785 -2.043 1.00 0.00 O ATOM 1068 CB ARG A 71 5.405 0.441 -2.684 1.00 0.00 C ATOM 1069 CG ARG A 71 5.854 1.831 -3.102 1.00 0.00 C ATOM 1070 CD ARG A 71 5.783 2.008 -4.609 1.00 0.00 C ATOM 1071 NE ARG A 71 7.075 1.770 -5.250 1.00 0.00 N ATOM 1072 CZ ARG A 71 8.063 2.661 -5.279 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.913 3.848 -4.705 1.00 0.00 N ATOM 1074 NH2 ARG A 71 9.205 2.364 -5.884 1.00 0.00 N ATOM 0 H ARG A 71 3.266 0.283 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 71 3.516 0.715 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.730 0.256 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.902 -0.297 -3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.227 2.579 -2.617 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.875 2.002 -2.762 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.043 1.322 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.444 3.018 -4.840 1.00 0.00 H new ATOM 0 HE ARG A 71 7.228 0.868 -5.701 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.037 4.082 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.674 4.527 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.326 1.453 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.963 3.046 -5.907 1.00 0.00 H new ATOM 1088 N LEU A 72 4.168 -1.931 -3.835 1.00 0.00 N ATOM 1089 CA LEU A 72 3.948 -3.359 -4.021 1.00 0.00 C ATOM 1090 C LEU A 72 5.229 -4.053 -4.476 1.00 0.00 C ATOM 1091 O LEU A 72 5.824 -3.681 -5.486 1.00 0.00 O ATOM 1092 CB LEU A 72 2.834 -3.593 -5.045 1.00 0.00 C ATOM 1093 CG LEU A 72 1.580 -4.274 -4.494 1.00 0.00 C ATOM 1094 CD1 LEU A 72 1.874 -5.722 -4.135 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.052 -3.519 -3.284 1.00 0.00 C ATOM 0 H LEU A 72 4.802 -1.510 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 72 3.648 -3.784 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.548 -2.633 -5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.231 -4.200 -5.858 1.00 0.00 H new ATOM 0 HG LEU A 72 0.813 -4.262 -5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.971 -6.191 -3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.205 -6.257 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.657 -5.757 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.160 -4.017 -2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.815 -3.500 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.802 -2.498 -3.573 1.00 0.00 H new ATOM 1107 N GLU A 73 5.644 -5.066 -3.724 1.00 0.00 N ATOM 1108 CA GLU A 73 6.852 -5.815 -4.051 1.00 0.00 C ATOM 1109 C GLU A 73 6.532 -6.978 -4.985 1.00 0.00 C ATOM 1110 O GLU A 73 6.432 -8.126 -4.553 1.00 0.00 O ATOM 1111 CB GLU A 73 7.517 -6.335 -2.774 1.00 0.00 C ATOM 1112 CG GLU A 73 9.034 -6.253 -2.802 1.00 0.00 C ATOM 1113 CD GLU A 73 9.677 -6.943 -1.614 1.00 0.00 C ATOM 1114 OE1 GLU A 73 9.477 -8.166 -1.459 1.00 0.00 O ATOM 1115 OE2 GLU A 73 10.380 -6.260 -0.840 1.00 0.00 O ATOM 0 H GLU A 73 5.162 -5.387 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 73 7.542 -5.142 -4.561 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.146 -5.764 -1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.220 -7.372 -2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.402 -6.705 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.337 -5.206 -2.818 1.00 0.00 H new ATOM 1122 N LEU A 74 6.371 -6.672 -6.268 1.00 0.00 N ATOM 1123 CA LEU A 74 6.059 -7.692 -7.262 1.00 0.00 C ATOM 1124 C LEU A 74 7.190 -8.710 -7.373 1.00 0.00 C ATOM 1125 O LEU A 74 8.331 -8.428 -7.005 1.00 0.00 O ATOM 1126 CB LEU A 74 5.806 -7.046 -8.626 1.00 0.00 C ATOM 1127 CG LEU A 74 4.410 -6.448 -8.811 1.00 0.00 C ATOM 1128 CD1 LEU A 74 4.236 -5.930 -10.230 1.00 0.00 C ATOM 1129 CD2 LEU A 74 3.340 -7.480 -8.484 1.00 0.00 C ATOM 0 H LEU A 74 6.451 -5.727 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 74 5.157 -8.211 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.545 -6.260 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.970 -7.794 -9.401 1.00 0.00 H new ATOM 0 HG LEU A 74 4.301 -5.610 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.237 -5.508 -10.343 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.980 -5.159 -10.430 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.365 -6.751 -10.935 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.353 -7.037 -8.621 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.448 -8.338 -9.147 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.451 -7.804 -7.449 1.00 0.00 H new ATOM 1141 N ASP A 75 6.864 -9.893 -7.882 1.00 0.00 N ATOM 1142 CA ASP A 75 7.851 -10.955 -8.043 1.00 0.00 C ATOM 1143 C ASP A 75 8.799 -10.648 -9.200 1.00 0.00 C ATOM 1144 O ASP A 75 8.840 -11.375 -10.192 1.00 0.00 O ATOM 1145 CB ASP A 75 7.153 -12.296 -8.278 1.00 0.00 C ATOM 1146 CG ASP A 75 8.101 -13.472 -8.152 1.00 0.00 C ATOM 1147 OD1 ASP A 75 8.512 -13.783 -7.014 1.00 0.00 O ATOM 1148 OD2 ASP A 75 8.433 -14.081 -9.190 1.00 0.00 O ATOM 0 H ASP A 75 5.924 -10.141 -8.190 1.00 0.00 H new ATOM 0 HA ASP A 75 8.437 -11.015 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.340 -12.410 -7.561 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.704 -12.300 -9.271 1.00 0.00 H new ATOM 1153 N ASP A 76 9.559 -9.567 -9.064 1.00 0.00 N ATOM 1154 CA ASP A 76 10.506 -9.165 -10.097 1.00 0.00 C ATOM 1155 C ASP A 76 11.759 -10.033 -10.053 1.00 0.00 C ATOM 1156 O ASP A 76 11.839 -10.986 -9.279 1.00 0.00 O ATOM 1157 CB ASP A 76 10.885 -7.693 -9.923 1.00 0.00 C ATOM 1158 CG ASP A 76 9.671 -6.789 -9.845 1.00 0.00 C ATOM 1159 OD1 ASP A 76 8.630 -7.141 -10.439 1.00 0.00 O ATOM 1160 OD2 ASP A 76 9.761 -5.728 -9.191 1.00 0.00 O ATOM 0 H ASP A 76 9.538 -8.954 -8.249 1.00 0.00 H new ATOM 0 HA ASP A 76 10.027 -9.299 -11.067 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.479 -7.578 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.514 -7.381 -10.757 1.00 0.00 H new ATOM 1165 N LEU A 77 12.735 -9.697 -10.890 1.00 0.00 N ATOM 1166 CA LEU A 77 13.985 -10.446 -10.947 1.00 0.00 C ATOM 1167 C LEU A 77 14.971 -9.944 -9.895 1.00 0.00 C ATOM 1168 O LEU A 77 15.877 -10.670 -9.486 1.00 0.00 O ATOM 1169 CB LEU A 77 14.607 -10.334 -12.340 1.00 0.00 C ATOM 1170 CG LEU A 77 13.972 -11.228 -13.406 1.00 0.00 C ATOM 1171 CD1 LEU A 77 14.375 -10.767 -14.798 1.00 0.00 C ATOM 1172 CD2 LEU A 77 14.369 -12.681 -13.188 1.00 0.00 C ATOM 0 H LEU A 77 12.684 -8.911 -11.538 1.00 0.00 H new ATOM 0 HA LEU A 77 13.762 -11.492 -10.738 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.539 -9.297 -12.669 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.667 -10.577 -12.268 1.00 0.00 H new ATOM 0 HG LEU A 77 12.888 -11.151 -13.320 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.914 -11.415 -15.544 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.041 -9.741 -14.952 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.459 -10.814 -14.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 13.908 -13.303 -13.955 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.453 -12.775 -13.247 1.00 0.00 H new ATOM 0 HD23 LEU A 77 14.030 -13.007 -12.205 1.00 0.00 H new ATOM 1184 N GLU A 78 14.791 -8.700 -9.462 1.00 0.00 N ATOM 1185 CA GLU A 78 15.667 -8.107 -8.459 1.00 0.00 C ATOM 1186 C GLU A 78 15.384 -8.689 -7.077 1.00 0.00 C ATOM 1187 O GLU A 78 14.623 -8.118 -6.296 1.00 0.00 O ATOM 1188 CB GLU A 78 15.489 -6.587 -8.431 1.00 0.00 C ATOM 1189 CG GLU A 78 16.681 -5.846 -7.848 1.00 0.00 C ATOM 1190 CD GLU A 78 16.790 -4.423 -8.360 1.00 0.00 C ATOM 1191 OE1 GLU A 78 17.184 -4.242 -9.531 1.00 0.00 O ATOM 1192 OE2 GLU A 78 16.481 -3.490 -7.590 1.00 0.00 O ATOM 0 H GLU A 78 14.047 -8.084 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 78 16.697 -8.341 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.312 -6.231 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.600 -6.344 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.599 -5.832 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.595 -6.387 -8.092 1.00 0.00 H new ATOM 1199 N HIS A 79 16.002 -9.828 -6.784 1.00 0.00 N ATOM 1200 CA HIS A 79 15.816 -10.489 -5.497 1.00 0.00 C ATOM 1201 C HIS A 79 17.105 -10.464 -4.681 1.00 0.00 C ATOM 1202 O HIS A 79 18.137 -10.976 -5.116 1.00 0.00 O ATOM 1203 CB HIS A 79 15.358 -11.933 -5.703 1.00 0.00 C ATOM 1204 CG HIS A 79 14.659 -12.515 -4.513 1.00 0.00 C ATOM 1205 ND1 HIS A 79 15.032 -13.708 -3.930 1.00 0.00 N ATOM 1206 CD2 HIS A 79 13.604 -12.062 -3.796 1.00 0.00 C ATOM 1207 CE1 HIS A 79 14.236 -13.963 -2.907 1.00 0.00 C ATOM 1208 NE2 HIS A 79 13.362 -12.980 -2.803 1.00 0.00 N ATOM 0 H HIS A 79 16.636 -10.313 -7.420 1.00 0.00 H new ATOM 0 HA HIS A 79 15.048 -9.946 -4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.689 -11.974 -6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.224 -12.550 -5.943 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.055 -11.149 -3.972 1.00 0.00 H new ATOM 0 HE1 HIS A 79 14.291 -14.829 -2.265 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.626 -12.913 -2.100 1.00 0.00 H new ATOM 1217 N HIS A 80 17.038 -9.866 -3.496 1.00 0.00 N ATOM 1218 CA HIS A 80 18.199 -9.775 -2.619 1.00 0.00 C ATOM 1219 C HIS A 80 17.772 -9.515 -1.178 1.00 0.00 C ATOM 1220 O HIS A 80 16.796 -8.809 -0.927 1.00 0.00 O ATOM 1221 CB HIS A 80 19.137 -8.663 -3.093 1.00 0.00 C ATOM 1222 CG HIS A 80 20.501 -8.728 -2.479 1.00 0.00 C ATOM 1223 ND1 HIS A 80 21.288 -9.860 -2.512 1.00 0.00 N ATOM 1224 CD2 HIS A 80 21.218 -7.793 -1.812 1.00 0.00 C ATOM 1225 CE1 HIS A 80 22.430 -9.619 -1.892 1.00 0.00 C ATOM 1226 NE2 HIS A 80 22.412 -8.372 -1.459 1.00 0.00 N ATOM 0 H HIS A 80 16.192 -9.437 -3.121 1.00 0.00 H new ATOM 0 HA HIS A 80 18.728 -10.727 -2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.233 -8.717 -4.177 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.689 -7.697 -2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.909 -6.781 -1.598 1.00 0.00 H new ATOM 0 HE1 HIS A 80 23.239 -10.322 -1.762 1.00 0.00 H new ATOM 0 HE2 HIS A 80 23.164 -7.913 -0.945 1.00 0.00 H new ATOM 1235 N HIS A 81 18.511 -10.091 -0.235 1.00 0.00 N ATOM 1236 CA HIS A 81 18.208 -9.923 1.182 1.00 0.00 C ATOM 1237 C HIS A 81 19.477 -9.647 1.981 1.00 0.00 C ATOM 1238 O HIS A 81 20.540 -10.195 1.687 1.00 0.00 O ATOM 1239 CB HIS A 81 17.509 -11.169 1.727 1.00 0.00 C ATOM 1240 CG HIS A 81 16.580 -10.884 2.866 1.00 0.00 C ATOM 1241 ND1 HIS A 81 15.297 -10.408 2.690 1.00 0.00 N ATOM 1242 CD2 HIS A 81 16.751 -11.011 4.203 1.00 0.00 C ATOM 1243 CE1 HIS A 81 14.721 -10.253 3.869 1.00 0.00 C ATOM 1244 NE2 HIS A 81 15.582 -10.613 4.803 1.00 0.00 N ATOM 0 H HIS A 81 19.323 -10.678 -0.426 1.00 0.00 H new ATOM 0 HA HIS A 81 17.542 -9.067 1.286 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.948 -11.643 0.921 1.00 0.00 H new ATOM 0 HB3 HIS A 81 18.263 -11.885 2.054 1.00 0.00 H new ATOM 0 HD2 HIS A 81 17.641 -11.360 4.704 1.00 0.00 H new ATOM 0 HE1 HIS A 81 13.717 -9.893 4.040 1.00 0.00 H new ATOM 0 HE2 HIS A 81 15.407 -10.598 5.808 1.00 0.00 H new ATOM 1253 N HIS A 82 19.359 -8.794 2.993 1.00 0.00 N ATOM 1254 CA HIS A 82 20.497 -8.445 3.836 1.00 0.00 C ATOM 1255 C HIS A 82 20.519 -9.298 5.100 1.00 0.00 C ATOM 1256 O HIS A 82 19.670 -9.146 5.978 1.00 0.00 O ATOM 1257 CB HIS A 82 20.448 -6.962 4.208 1.00 0.00 C ATOM 1258 CG HIS A 82 20.907 -6.054 3.109 1.00 0.00 C ATOM 1259 ND1 HIS A 82 21.949 -5.163 3.255 1.00 0.00 N ATOM 1260 CD2 HIS A 82 20.460 -5.903 1.840 1.00 0.00 C ATOM 1261 CE1 HIS A 82 22.122 -4.502 2.124 1.00 0.00 C ATOM 1262 NE2 HIS A 82 21.232 -4.932 1.250 1.00 0.00 N ATOM 0 H HIS A 82 18.487 -8.331 3.249 1.00 0.00 H new ATOM 0 HA HIS A 82 21.409 -8.640 3.271 1.00 0.00 H new ATOM 0 HB2 HIS A 82 19.427 -6.698 4.483 1.00 0.00 H new ATOM 0 HB3 HIS A 82 21.069 -6.796 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 82 19.648 -6.445 1.378 1.00 0.00 H new ATOM 0 HE1 HIS A 82 22.866 -3.739 1.945 1.00 0.00 H new ATOM 0 HE2 HIS A 82 21.133 -4.598 0.291 1.00 0.00 H new ATOM 1271 N HIS A 83 21.496 -10.195 5.186 1.00 0.00 N ATOM 1272 CA HIS A 83 21.629 -11.073 6.343 1.00 0.00 C ATOM 1273 C HIS A 83 22.184 -10.311 7.542 1.00 0.00 C ATOM 1274 O HIS A 83 22.670 -9.189 7.407 1.00 0.00 O ATOM 1275 CB HIS A 83 22.538 -12.257 6.010 1.00 0.00 C ATOM 1276 CG HIS A 83 23.937 -11.857 5.659 1.00 0.00 C ATOM 1277 ND1 HIS A 83 24.295 -11.378 4.416 1.00 0.00 N ATOM 1278 CD2 HIS A 83 25.073 -11.865 6.398 1.00 0.00 C ATOM 1279 CE1 HIS A 83 25.589 -11.110 4.405 1.00 0.00 C ATOM 1280 NE2 HIS A 83 26.083 -11.396 5.595 1.00 0.00 N ATOM 0 H HIS A 83 22.207 -10.333 4.468 1.00 0.00 H new ATOM 0 HA HIS A 83 20.638 -11.447 6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 83 22.566 -12.934 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 83 22.107 -12.812 5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 83 25.166 -12.181 7.426 1.00 0.00 H new ATOM 0 HE1 HIS A 83 26.147 -10.723 3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 83 27.058 -11.286 5.873 1.00 0.00 H new ATOM 1289 N HIS A 84 22.109 -10.930 8.716 1.00 0.00 N ATOM 1290 CA HIS A 84 22.605 -10.311 9.940 1.00 0.00 C ATOM 1291 C HIS A 84 24.112 -10.498 10.072 1.00 0.00 C ATOM 1292 O HIS A 84 24.611 -10.488 11.217 1.00 0.00 O ATOM 1293 CB HIS A 84 21.896 -10.904 11.159 1.00 0.00 C ATOM 1294 CG HIS A 84 22.066 -12.386 11.287 1.00 0.00 C ATOM 1295 ND1 HIS A 84 21.042 -13.283 11.066 1.00 0.00 N ATOM 1296 CD2 HIS A 84 23.150 -13.129 11.616 1.00 0.00 C ATOM 1297 CE1 HIS A 84 21.488 -14.513 11.254 1.00 0.00 C ATOM 1298 NE2 HIS A 84 22.764 -14.446 11.587 1.00 0.00 N ATOM 1299 OXT HIS A 84 24.782 -10.655 9.030 1.00 0.00 O ATOM 0 H HIS A 84 21.710 -11.860 8.845 1.00 0.00 H new ATOM 0 HA HIS A 84 22.393 -9.243 9.889 1.00 0.00 H new ATOM 0 HB2 HIS A 84 22.277 -10.424 12.060 1.00 0.00 H new ATOM 0 HB3 HIS A 84 20.833 -10.672 11.099 1.00 0.00 H new ATOM 0 HD2 HIS A 84 24.134 -12.755 11.856 1.00 0.00 H new ATOM 0 HE1 HIS A 84 20.908 -15.418 11.153 1.00 0.00 H new ATOM 0 HE2 HIS A 84 23.366 -15.244 11.790 1.00 0.00 H new TER 1308 HIS A 84