USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 873 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC H2D : A 201 HEC O2D : A 201 HEC CGD :(short bond) USER MOD NoAdj-H: A 201 HEC H2A : A 201 HEC O2A : A 201 HEC CGA :(short bond) USER MOD Set 1.1: A 102 THR OG1 : rot 110:sc= -0.567 USER MOD Set 1.2: A 103 ASN : amide:sc= -5.99! C(o=-6.6!,f=-5.2!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 162:sc= -2.57! (180deg=-3.23!) USER MOD Set 2.2: A 12 GLN : amide:sc= -0.32 K(o=-2.9,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= -1.06 (180deg=-1.28) USER MOD Single : A 16 GLN : amide:sc= -0.25 X(o=-0.25,f=0.017) USER MOD Single : A 18 HIS : no HE2:sc= -14! C(o=-14!,f=-17!) USER MOD Single : A 19 THR OG1 : rot -126:sc= -4.25! USER MOD Single : A 22 LYS NZ :NH3+ -121:sc= -3.66! (180deg=-8.3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0.321 K(o=0.32,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= -0.0882 (180deg=-0.754) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 31 ASN : amide:sc= -4.36! C(o=-4.4!,f=-9.2!) USER MOD Single : A 33 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.21) USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= -4.62! (180deg=-8.48!) USER MOD Single : A 40 THR OG1 : rot 45:sc= -4.68! USER MOD Single : A 42 GLN : amide:sc= -14.6! C(o=-15!,f=-18!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0333 USER MOD Single : A 52 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.96) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= -3.54! (180deg=-8.79!) USER MOD Single : A 54 ASN : amide:sc= -8.76! C(o=-8.8!,f=-3.6!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 60:sc= 0.168 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 174:sc= -5.88! (180deg=-6.25!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0295 (180deg=-0.0295) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -0.473 (180deg=-1.19) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -90:sc= -1.42 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.0157 (180deg=-0.16) USER MOD Single : A 80 MET CE :methyl -129:sc= -10.2! (180deg=-14.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.192 (180deg=-0.995) USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= -5.09! (180deg=-8.62!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -148:sc= -10.1! (180deg=-11.9!) USER MOD Single : A 100 LYS NZ :NH3+ 134:sc= -3.52! (180deg=-6.15!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.684 4.137 -1.131 1.00 0.00 N ATOM 2 CA GLY A 1 -17.301 4.179 -0.580 1.00 0.00 C ATOM 3 C GLY A 1 -16.788 5.596 -0.410 1.00 0.00 C ATOM 4 O GLY A 1 -16.678 6.344 -1.379 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.989 3.148 -1.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.330 4.636 -0.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.700 4.598 -2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.282 3.671 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.632 3.631 -1.243 1.00 0.00 H new ATOM 10 N ASP A 2 -16.470 5.962 0.829 1.00 0.00 N ATOM 11 CA ASP A 2 -15.966 7.299 1.123 1.00 0.00 C ATOM 12 C ASP A 2 -14.523 7.238 1.614 1.00 0.00 C ATOM 13 O ASP A 2 -14.066 6.204 2.103 1.00 0.00 O ATOM 14 CB ASP A 2 -16.845 7.978 2.174 1.00 0.00 C ATOM 15 CG ASP A 2 -18.325 7.762 1.918 1.00 0.00 C ATOM 16 OD1 ASP A 2 -18.679 7.353 0.791 1.00 0.00 O ATOM 17 OD2 ASP A 2 -19.129 7.998 2.845 1.00 0.00 O ATOM 0 H ASP A 2 -16.552 5.353 1.643 1.00 0.00 H new ATOM 0 HA ASP A 2 -15.995 7.883 0.203 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -16.590 7.592 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.633 9.047 2.185 1.00 0.00 H new ATOM 22 N VAL A 3 -13.811 8.351 1.479 1.00 0.00 N ATOM 23 CA VAL A 3 -12.418 8.425 1.909 1.00 0.00 C ATOM 24 C VAL A 3 -12.297 8.216 3.415 1.00 0.00 C ATOM 25 O VAL A 3 -11.393 7.524 3.884 1.00 0.00 O ATOM 26 CB VAL A 3 -11.787 9.779 1.537 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.743 10.182 2.568 1.00 0.00 C ATOM 28 CG2 VAL A 3 -11.177 9.718 0.145 1.00 0.00 C ATOM 0 H VAL A 3 -14.174 9.214 1.076 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.883 7.629 1.390 1.00 0.00 H new ATOM 0 HB VAL A 3 -12.571 10.537 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.307 11.141 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.213 10.268 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.959 9.425 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.736 10.684 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.405 8.949 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.953 9.478 -0.582 1.00 0.00 H new ATOM 38 N GLU A 4 -13.212 8.819 4.167 1.00 0.00 N ATOM 39 CA GLU A 4 -13.207 8.697 5.621 1.00 0.00 C ATOM 40 C GLU A 4 -13.324 7.237 6.042 1.00 0.00 C ATOM 41 O GLU A 4 -12.588 6.770 6.913 1.00 0.00 O ATOM 42 CB GLU A 4 -14.352 9.510 6.227 1.00 0.00 C ATOM 43 CG GLU A 4 -14.486 9.344 7.730 1.00 0.00 C ATOM 44 CD GLU A 4 -15.821 9.838 8.255 1.00 0.00 C ATOM 45 OE1 GLU A 4 -16.597 9.011 8.777 1.00 0.00 O ATOM 46 OE2 GLU A 4 -16.088 11.054 8.143 1.00 0.00 O ATOM 0 H GLU A 4 -13.966 9.396 3.794 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.260 9.089 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.198 10.565 5.999 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.288 9.214 5.752 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.365 8.292 7.988 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.681 9.888 8.225 1.00 0.00 H new ATOM 53 N LYS A 5 -14.252 6.519 5.420 1.00 0.00 N ATOM 54 CA LYS A 5 -14.464 5.111 5.731 1.00 0.00 C ATOM 55 C LYS A 5 -13.241 4.283 5.354 1.00 0.00 C ATOM 56 O LYS A 5 -12.870 3.345 6.062 1.00 0.00 O ATOM 57 CB LYS A 5 -15.697 4.585 4.992 1.00 0.00 C ATOM 58 CG LYS A 5 -16.953 5.402 5.247 1.00 0.00 C ATOM 59 CD LYS A 5 -18.160 4.510 5.492 1.00 0.00 C ATOM 60 CE LYS A 5 -19.030 4.398 4.250 1.00 0.00 C ATOM 61 NZ LYS A 5 -19.134 2.992 3.770 1.00 0.00 N ATOM 0 H LYS A 5 -14.869 6.889 4.697 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.626 5.021 6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.492 4.574 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.878 3.553 5.292 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -16.798 6.050 6.110 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.146 6.050 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -17.825 3.518 5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.750 4.912 6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -20.027 4.782 4.469 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.615 5.022 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -19.735 2.958 2.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -18.186 2.634 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -19.554 2.401 4.516 1.00 0.00 H new ATOM 75 N GLY A 6 -12.617 4.638 4.236 1.00 0.00 N ATOM 76 CA GLY A 6 -11.440 3.919 3.784 1.00 0.00 C ATOM 77 C GLY A 6 -10.287 4.030 4.750 1.00 0.00 C ATOM 78 O GLY A 6 -9.582 3.056 5.004 1.00 0.00 O ATOM 0 H GLY A 6 -12.905 5.410 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.692 2.868 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.134 4.305 2.812 1.00 0.00 H new ATOM 82 N LYS A 7 -10.085 5.227 5.278 1.00 0.00 N ATOM 83 CA LYS A 7 -8.997 5.467 6.206 1.00 0.00 C ATOM 84 C LYS A 7 -9.099 4.546 7.421 1.00 0.00 C ATOM 85 O LYS A 7 -8.103 3.974 7.861 1.00 0.00 O ATOM 86 CB LYS A 7 -8.987 6.930 6.655 1.00 0.00 C ATOM 87 CG LYS A 7 -8.276 7.155 7.979 1.00 0.00 C ATOM 88 CD LYS A 7 -9.233 7.666 9.045 1.00 0.00 C ATOM 89 CE LYS A 7 -8.665 8.878 9.766 1.00 0.00 C ATOM 90 NZ LYS A 7 -9.231 10.152 9.240 1.00 0.00 N ATOM 0 H LYS A 7 -10.661 6.045 5.079 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.062 5.251 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.505 7.534 5.886 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.015 7.282 6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.822 6.222 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.466 7.872 7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.186 7.928 8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.434 6.873 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.878 8.799 10.832 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.581 8.890 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.819 10.955 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.007 10.240 8.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.263 10.152 9.367 1.00 0.00 H new ATOM 104 N LYS A 8 -10.192 4.535 8.177 1.00 0.00 N ATOM 105 CA LYS A 8 -10.515 3.589 9.120 1.00 0.00 C ATOM 106 C LYS A 8 -10.291 2.120 8.778 1.00 0.00 C ATOM 107 O LYS A 8 -9.820 1.340 9.610 1.00 0.00 O ATOM 108 CB LYS A 8 -11.978 3.817 9.504 1.00 0.00 C ATOM 109 CG LYS A 8 -12.662 2.578 10.060 1.00 0.00 C ATOM 110 CD LYS A 8 -13.394 1.809 8.972 1.00 0.00 C ATOM 111 CE LYS A 8 -13.803 0.425 9.447 1.00 0.00 C ATOM 112 NZ LYS A 8 -12.744 -0.588 9.180 1.00 0.00 N ATOM 0 H LYS A 8 -10.900 5.265 8.104 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.806 3.744 9.933 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -12.030 4.614 10.246 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.526 4.161 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.920 1.931 10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.367 2.869 10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.279 2.366 8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.753 1.719 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.015 0.456 10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.725 0.127 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.911 -1.428 9.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.768 -0.859 8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.813 -0.185 9.407 1.00 0.00 H new ATOM 126 N ILE A 9 -10.625 1.747 7.547 1.00 0.00 N ATOM 127 CA ILE A 9 -10.458 0.372 7.097 1.00 0.00 C ATOM 128 C ILE A 9 -8.993 -0.035 7.141 1.00 0.00 C ATOM 129 O ILE A 9 -8.660 -1.117 7.614 1.00 0.00 O ATOM 130 CB ILE A 9 -10.991 0.178 5.666 1.00 0.00 C ATOM 131 CG1 ILE A 9 -12.492 -0.115 5.691 1.00 0.00 C ATOM 132 CG2 ILE A 9 -10.237 -0.944 4.968 1.00 0.00 C ATOM 133 CD1 ILE A 9 -13.110 -0.223 4.314 1.00 0.00 C ATOM 0 H ILE A 9 -11.012 2.377 6.845 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.033 -0.259 7.775 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.831 1.100 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.663 -1.046 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.999 0.674 6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.625 -1.069 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.177 -0.696 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.368 -1.872 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.176 -0.432 4.409 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.970 0.716 3.778 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.630 -1.031 3.762 1.00 0.00 H new ATOM 145 N PHE A 10 -8.126 0.844 6.647 1.00 0.00 N ATOM 146 CA PHE A 10 -6.688 0.592 6.631 1.00 0.00 C ATOM 147 C PHE A 10 -6.128 0.516 8.046 1.00 0.00 C ATOM 148 O PHE A 10 -5.223 -0.271 8.331 1.00 0.00 O ATOM 149 CB PHE A 10 -5.967 1.691 5.850 1.00 0.00 C ATOM 150 CG PHE A 10 -4.559 1.931 6.315 1.00 0.00 C ATOM 151 CD1 PHE A 10 -3.486 1.707 5.468 1.00 0.00 C ATOM 152 CD2 PHE A 10 -4.308 2.382 7.603 1.00 0.00 C ATOM 153 CE1 PHE A 10 -2.189 1.926 5.894 1.00 0.00 C ATOM 154 CE2 PHE A 10 -3.013 2.603 8.035 1.00 0.00 C ATOM 155 CZ PHE A 10 -1.953 2.375 7.179 1.00 0.00 C ATOM 0 H PHE A 10 -8.397 1.744 6.250 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.522 -0.368 6.142 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.952 1.425 4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.533 2.618 5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -3.665 1.357 4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.133 2.562 8.276 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.362 1.746 5.223 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.831 2.953 9.040 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.941 2.548 7.514 1.00 0.00 H new ATOM 165 N VAL A 11 -6.659 1.357 8.923 1.00 0.00 N ATOM 166 CA VAL A 11 -6.198 1.409 10.303 1.00 0.00 C ATOM 167 C VAL A 11 -6.186 0.028 10.952 1.00 0.00 C ATOM 168 O VAL A 11 -5.185 -0.364 11.554 1.00 0.00 O ATOM 169 CB VAL A 11 -7.080 2.347 11.150 1.00 0.00 C ATOM 170 CG1 VAL A 11 -6.734 2.217 12.625 1.00 0.00 C ATOM 171 CG2 VAL A 11 -6.927 3.788 10.683 1.00 0.00 C ATOM 0 H VAL A 11 -7.409 2.012 8.703 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.178 1.793 10.272 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.122 2.055 11.018 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.367 2.887 13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.899 1.189 12.948 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.688 2.482 12.778 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.557 4.437 11.292 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.886 4.095 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -7.229 3.866 9.639 1.00 0.00 H new ATOM 181 N GLN A 12 -7.288 -0.711 10.842 1.00 0.00 N ATOM 182 CA GLN A 12 -7.350 -2.097 11.471 1.00 0.00 C ATOM 183 C GLN A 12 -6.744 -3.086 10.487 1.00 0.00 C ATOM 184 O GLN A 12 -5.743 -3.755 10.748 1.00 0.00 O ATOM 185 CB GLN A 12 -8.797 -2.481 11.790 1.00 0.00 C ATOM 186 CG GLN A 12 -9.779 -1.329 11.646 1.00 0.00 C ATOM 187 CD GLN A 12 -10.824 -1.333 12.826 1.00 0.00 C ATOM 188 OE1 GLN A 12 -10.609 -1.870 13.825 1.00 0.00 O ATOM 189 NE2 GLN A 12 -11.945 -0.656 12.490 1.00 0.00 N ATOM 0 H GLN A 12 -8.134 -0.421 10.352 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.793 -2.107 12.408 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.103 -3.293 11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.846 -2.864 12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.238 -0.383 11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.301 -1.407 10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.021 -0.220 11.571 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.715 -0.582 13.155 1.00 0.00 H new ATOM 198 N LYS A 13 -7.202 -2.871 9.295 1.00 0.00 N ATOM 199 CA LYS A 13 -6.632 -3.382 8.087 1.00 0.00 C ATOM 200 C LYS A 13 -5.300 -4.081 8.265 1.00 0.00 C ATOM 201 O LYS A 13 -5.109 -5.226 7.854 1.00 0.00 O ATOM 202 CB LYS A 13 -6.475 -2.259 7.066 1.00 0.00 C ATOM 203 CG LYS A 13 -7.128 -2.560 5.725 1.00 0.00 C ATOM 204 CD LYS A 13 -7.320 -4.055 5.525 1.00 0.00 C ATOM 205 CE LYS A 13 -7.670 -4.385 4.083 1.00 0.00 C ATOM 206 NZ LYS A 13 -7.906 -3.159 3.273 1.00 0.00 N ATOM 0 H LYS A 13 -8.032 -2.301 9.128 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.332 -4.140 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.907 -1.345 7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.413 -2.068 6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.093 -2.057 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.511 -2.160 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.408 -4.581 5.808 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.112 -4.412 6.183 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.862 -4.964 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.561 -5.012 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.272 -3.426 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.599 -2.552 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.012 -2.641 3.159 1.00 0.00 H new ATOM 220 N CYS A 14 -4.382 -3.357 8.882 1.00 0.00 N ATOM 221 CA CYS A 14 -3.007 -3.731 8.755 1.00 0.00 C ATOM 222 C CYS A 14 -2.036 -2.705 9.155 1.00 0.00 C ATOM 223 O CYS A 14 -0.860 -2.888 8.842 1.00 0.00 O ATOM 224 CB CYS A 14 -2.595 -4.682 7.493 1.00 0.00 C ATOM 225 SG CYS A 14 -3.179 -4.112 5.780 1.00 0.00 S ATOM 0 H CYS A 14 -4.566 -2.534 9.456 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.915 -4.466 9.555 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.509 -4.770 7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.992 -5.681 7.674 1.00 0.00 H new ATOM 230 N ALA A 15 -2.513 -1.518 9.521 1.00 0.00 N ATOM 231 CA ALA A 15 -1.662 -0.336 9.579 1.00 0.00 C ATOM 232 C ALA A 15 -0.428 -0.591 10.437 1.00 0.00 C ATOM 233 O ALA A 15 0.632 -0.010 10.203 1.00 0.00 O ATOM 234 CB ALA A 15 -2.446 0.851 10.116 1.00 0.00 C ATOM 0 H ALA A 15 -3.485 -1.351 9.782 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.327 -0.108 8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.799 1.727 10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.293 1.054 9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.809 0.624 11.118 1.00 0.00 H new ATOM 240 N GLN A 16 -0.568 -1.464 11.427 1.00 0.00 N ATOM 241 CA GLN A 16 0.539 -1.796 12.314 1.00 0.00 C ATOM 242 C GLN A 16 1.757 -2.238 11.508 1.00 0.00 C ATOM 243 O GLN A 16 2.896 -1.944 11.871 1.00 0.00 O ATOM 244 CB GLN A 16 0.130 -2.900 13.290 1.00 0.00 C ATOM 245 CG GLN A 16 -1.374 -3.020 13.475 1.00 0.00 C ATOM 246 CD GLN A 16 -1.746 -3.846 14.691 1.00 0.00 C ATOM 247 OE1 GLN A 16 -2.505 -4.810 14.592 1.00 0.00 O ATOM 248 NE2 GLN A 16 -1.212 -3.472 15.848 1.00 0.00 N ATOM 0 H GLN A 16 -1.438 -1.955 11.636 1.00 0.00 H new ATOM 0 HA GLN A 16 0.800 -0.903 12.882 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.521 -3.853 12.933 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.593 -2.708 14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -1.806 -2.024 13.571 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.811 -3.472 12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.588 -2.666 15.885 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.426 -3.990 16.700 1.00 0.00 H new ATOM 257 N CYS A 17 1.505 -2.942 10.409 1.00 0.00 N ATOM 258 CA CYS A 17 2.575 -3.423 9.547 1.00 0.00 C ATOM 259 C CYS A 17 3.120 -2.292 8.678 1.00 0.00 C ATOM 260 O CYS A 17 4.236 -2.372 8.165 1.00 0.00 O ATOM 261 CB CYS A 17 2.071 -4.561 8.657 1.00 0.00 C ATOM 262 SG CYS A 17 1.939 -6.064 9.543 1.00 0.00 S ATOM 0 H CYS A 17 0.567 -3.192 10.095 1.00 0.00 H new ATOM 0 HA CYS A 17 3.379 -3.795 10.182 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.098 -4.296 8.243 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.751 -4.693 7.815 1.00 0.00 H new ATOM 267 N HIS A 18 2.321 -1.244 8.516 1.00 0.00 N ATOM 268 CA HIS A 18 2.720 -0.098 7.708 1.00 0.00 C ATOM 269 C HIS A 18 2.940 1.134 8.580 1.00 0.00 C ATOM 270 O HIS A 18 2.920 2.264 8.091 1.00 0.00 O ATOM 271 CB HIS A 18 1.658 0.193 6.645 1.00 0.00 C ATOM 272 CG HIS A 18 1.353 -0.986 5.775 1.00 0.00 C ATOM 273 ND1 HIS A 18 1.447 -0.953 4.400 1.00 0.00 N ATOM 274 CD2 HIS A 18 0.953 -2.240 6.093 1.00 0.00 C ATOM 275 CE1 HIS A 18 1.121 -2.137 3.910 1.00 0.00 C ATOM 276 NE2 HIS A 18 0.817 -2.936 4.916 1.00 0.00 N ATOM 0 H HIS A 18 1.394 -1.164 8.933 1.00 0.00 H new ATOM 0 HA HIS A 18 3.661 -0.340 7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.742 0.520 7.137 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.996 1.019 6.020 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.725 -0.142 3.847 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.774 -2.622 7.087 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.106 -2.405 2.864 1.00 0.00 H new ATOM 284 N THR A 19 3.151 0.906 9.871 1.00 0.00 N ATOM 285 CA THR A 19 3.377 1.995 10.812 1.00 0.00 C ATOM 286 C THR A 19 2.304 3.067 10.677 1.00 0.00 C ATOM 287 O THR A 19 1.636 3.170 9.647 1.00 0.00 O ATOM 288 CB THR A 19 4.760 2.610 10.594 1.00 0.00 C ATOM 289 OG1 THR A 19 5.765 1.615 10.636 1.00 0.00 O ATOM 290 CG2 THR A 19 5.114 3.666 11.619 1.00 0.00 C ATOM 0 H THR A 19 3.170 -0.024 10.290 1.00 0.00 H new ATOM 0 HA THR A 19 3.326 1.583 11.820 1.00 0.00 H new ATOM 0 HB THR A 19 4.714 3.081 9.612 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.448 1.867 11.292 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.107 4.061 11.406 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.385 4.475 11.575 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.105 3.224 12.615 1.00 0.00 H new ATOM 298 N VAL A 20 2.144 3.862 11.727 1.00 0.00 N ATOM 299 CA VAL A 20 1.154 4.932 11.741 1.00 0.00 C ATOM 300 C VAL A 20 1.701 6.200 11.092 1.00 0.00 C ATOM 301 O VAL A 20 2.377 6.141 10.064 1.00 0.00 O ATOM 302 CB VAL A 20 0.695 5.252 13.176 1.00 0.00 C ATOM 303 CG1 VAL A 20 -0.660 5.942 13.162 1.00 0.00 C ATOM 304 CG2 VAL A 20 0.648 3.982 14.011 1.00 0.00 C ATOM 0 H VAL A 20 2.690 3.785 12.585 1.00 0.00 H new ATOM 0 HA VAL A 20 0.298 4.579 11.166 1.00 0.00 H new ATOM 0 HB VAL A 20 1.416 5.933 13.629 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.968 6.160 14.185 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.589 6.872 12.598 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.396 5.289 12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.322 4.224 15.023 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.052 3.277 13.563 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.641 3.533 14.047 1.00 0.00 H new ATOM 314 N GLU A 21 1.394 7.344 11.693 1.00 0.00 N ATOM 315 CA GLU A 21 1.847 8.629 11.171 1.00 0.00 C ATOM 316 C GLU A 21 3.364 8.759 11.262 1.00 0.00 C ATOM 317 O GLU A 21 3.990 8.253 12.196 1.00 0.00 O ATOM 318 CB GLU A 21 1.180 9.776 11.936 1.00 0.00 C ATOM 319 CG GLU A 21 0.070 9.321 12.870 1.00 0.00 C ATOM 320 CD GLU A 21 -0.581 10.476 13.604 1.00 0.00 C ATOM 321 OE1 GLU A 21 -1.720 10.304 14.092 1.00 0.00 O ATOM 322 OE2 GLU A 21 0.044 11.553 13.694 1.00 0.00 O ATOM 0 H GLU A 21 0.833 7.408 12.542 1.00 0.00 H new ATOM 0 HA GLU A 21 1.562 8.682 10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.937 10.304 12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.772 10.490 11.220 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.687 8.787 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.476 8.616 13.596 1.00 0.00 H new ATOM 329 N LYS A 22 3.949 9.436 10.277 1.00 0.00 N ATOM 330 CA LYS A 22 5.393 9.630 10.239 1.00 0.00 C ATOM 331 C LYS A 22 5.895 10.207 11.555 1.00 0.00 C ATOM 332 O LYS A 22 5.472 11.282 11.980 1.00 0.00 O ATOM 333 CB LYS A 22 5.773 10.556 9.083 1.00 0.00 C ATOM 334 CG LYS A 22 7.231 10.443 8.666 1.00 0.00 C ATOM 335 CD LYS A 22 8.162 10.585 9.859 1.00 0.00 C ATOM 336 CE LYS A 22 7.943 11.902 10.584 1.00 0.00 C ATOM 337 NZ LYS A 22 8.721 11.975 11.852 1.00 0.00 N ATOM 0 H LYS A 22 3.445 9.858 9.497 1.00 0.00 H new ATOM 0 HA LYS A 22 5.863 8.659 10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.140 10.331 8.225 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.565 11.587 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.399 9.480 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.461 11.213 7.929 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.999 9.757 10.549 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.197 10.521 9.523 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.232 12.727 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.882 12.024 10.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.070 12.117 12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.248 11.089 11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.389 12.771 11.804 1.00 0.00 H new ATOM 351 N GLY A 23 6.796 9.476 12.199 1.00 0.00 N ATOM 352 CA GLY A 23 7.345 9.914 13.467 1.00 0.00 C ATOM 353 C GLY A 23 7.678 8.746 14.371 1.00 0.00 C ATOM 354 O GLY A 23 8.624 8.807 15.157 1.00 0.00 O ATOM 0 H GLY A 23 7.158 8.583 11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.244 10.503 13.289 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.629 10.567 13.966 1.00 0.00 H new ATOM 358 N GLY A 24 6.901 7.673 14.252 1.00 0.00 N ATOM 359 CA GLY A 24 7.134 6.495 15.066 1.00 0.00 C ATOM 360 C GLY A 24 8.291 5.661 14.550 1.00 0.00 C ATOM 361 O GLY A 24 9.377 6.182 14.299 1.00 0.00 O ATOM 0 H GLY A 24 6.115 7.599 13.606 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.337 6.799 16.093 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.230 5.886 15.087 1.00 0.00 H new ATOM 365 N LYS A 25 8.057 4.361 14.389 1.00 0.00 N ATOM 366 CA LYS A 25 9.089 3.456 13.898 1.00 0.00 C ATOM 367 C LYS A 25 8.760 2.970 12.490 1.00 0.00 C ATOM 368 O LYS A 25 7.598 2.966 12.081 1.00 0.00 O ATOM 369 CB LYS A 25 9.239 2.258 14.839 1.00 0.00 C ATOM 370 CG LYS A 25 8.497 2.424 16.155 1.00 0.00 C ATOM 371 CD LYS A 25 8.009 1.088 16.691 1.00 0.00 C ATOM 372 CE LYS A 25 7.110 0.382 15.690 1.00 0.00 C ATOM 373 NZ LYS A 25 7.630 -0.967 15.331 1.00 0.00 N ATOM 0 H LYS A 25 7.163 3.913 14.591 1.00 0.00 H new ATOM 0 HA LYS A 25 10.031 4.004 13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.874 1.363 14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.297 2.098 15.045 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.154 2.893 16.888 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.648 3.093 16.013 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.864 0.454 16.924 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.465 1.245 17.623 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.108 0.285 16.107 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.023 0.989 14.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.988 -1.415 14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.576 -0.873 14.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.689 -1.555 16.187 1.00 0.00 H new ATOM 387 N HIS A 26 9.786 2.561 11.750 1.00 0.00 N ATOM 388 CA HIS A 26 9.598 2.073 10.389 1.00 0.00 C ATOM 389 C HIS A 26 8.741 0.813 10.381 1.00 0.00 C ATOM 390 O HIS A 26 8.867 -0.044 11.255 1.00 0.00 O ATOM 391 CB HIS A 26 10.948 1.788 9.725 1.00 0.00 C ATOM 392 CG HIS A 26 12.124 2.075 10.606 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.346 1.427 11.802 1.00 0.00 N ATOM 394 CD2 HIS A 26 13.151 2.945 10.454 1.00 0.00 C ATOM 395 CE1 HIS A 26 13.456 1.887 12.352 1.00 0.00 C ATOM 396 NE2 HIS A 26 13.963 2.809 11.553 1.00 0.00 N ATOM 0 H HIS A 26 10.755 2.558 12.070 1.00 0.00 H new ATOM 0 HA HIS A 26 9.085 2.850 9.823 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.980 0.742 9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.030 2.386 8.818 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.303 3.619 9.624 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.877 1.565 13.293 1.00 0.00 H new ATOM 0 HE2 HIS A 26 14.820 3.335 11.725 1.00 0.00 H new ATOM 405 N LYS A 27 7.866 0.709 9.387 1.00 0.00 N ATOM 406 CA LYS A 27 6.983 -0.442 9.262 1.00 0.00 C ATOM 407 C LYS A 27 7.661 -1.567 8.488 1.00 0.00 C ATOM 408 O LYS A 27 8.756 -1.395 7.952 1.00 0.00 O ATOM 409 CB LYS A 27 5.687 -0.040 8.558 1.00 0.00 C ATOM 410 CG LYS A 27 5.765 -0.146 7.045 1.00 0.00 C ATOM 411 CD LYS A 27 5.241 1.112 6.370 1.00 0.00 C ATOM 412 CE LYS A 27 5.683 2.365 7.108 1.00 0.00 C ATOM 413 NZ LYS A 27 6.269 3.376 6.183 1.00 0.00 N ATOM 0 H LYS A 27 7.750 1.410 8.655 1.00 0.00 H new ATOM 0 HA LYS A 27 6.752 -0.801 10.265 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.875 -0.672 8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.437 0.985 8.831 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.798 -0.318 6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.188 -1.008 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.598 1.150 5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.152 1.078 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.830 2.800 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.418 2.099 7.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.176 3.712 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.425 2.944 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.615 4.179 6.087 1.00 0.00 H new ATOM 427 N THR A 28 7.003 -2.722 8.435 1.00 0.00 N ATOM 428 CA THR A 28 7.541 -3.876 7.725 1.00 0.00 C ATOM 429 C THR A 28 7.554 -3.631 6.220 1.00 0.00 C ATOM 430 O THR A 28 8.492 -4.021 5.525 1.00 0.00 O ATOM 431 CB THR A 28 6.719 -5.125 8.046 1.00 0.00 C ATOM 432 OG1 THR A 28 6.119 -5.018 9.325 1.00 0.00 O ATOM 433 CG2 THR A 28 7.534 -6.400 8.027 1.00 0.00 C ATOM 0 H THR A 28 6.097 -2.882 8.875 1.00 0.00 H new ATOM 0 HA THR A 28 8.568 -4.031 8.057 1.00 0.00 H new ATOM 0 HB THR A 28 5.966 -5.182 7.260 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.597 -5.826 9.510 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.890 -7.247 8.263 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.969 -6.539 7.037 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.331 -6.333 8.767 1.00 0.00 H new ATOM 441 N GLY A 29 6.508 -2.981 5.722 1.00 0.00 N ATOM 442 CA GLY A 29 6.415 -2.695 4.303 1.00 0.00 C ATOM 443 C GLY A 29 5.948 -1.279 4.028 1.00 0.00 C ATOM 444 O GLY A 29 5.185 -0.711 4.809 1.00 0.00 O ATOM 0 H GLY A 29 5.721 -2.646 6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.389 -2.850 3.839 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.725 -3.399 3.838 1.00 0.00 H new ATOM 448 N PRO A 30 6.391 -0.679 2.913 1.00 0.00 N ATOM 449 CA PRO A 30 6.006 0.684 2.542 1.00 0.00 C ATOM 450 C PRO A 30 4.520 0.948 2.758 1.00 0.00 C ATOM 451 O PRO A 30 3.668 0.257 2.199 1.00 0.00 O ATOM 452 CB PRO A 30 6.355 0.743 1.057 1.00 0.00 C ATOM 453 CG PRO A 30 7.509 -0.191 0.910 1.00 0.00 C ATOM 454 CD PRO A 30 7.299 -1.287 1.923 1.00 0.00 C ATOM 0 HA PRO A 30 6.512 1.437 3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.512 0.434 0.438 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.621 1.755 0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 30 7.553 -0.599 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 30 8.452 0.326 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.859 -2.174 1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.239 -1.596 2.379 1.00 0.00 H new ATOM 462 N ASN A 31 4.217 1.948 3.579 1.00 0.00 N ATOM 463 CA ASN A 31 2.835 2.304 3.874 1.00 0.00 C ATOM 464 C ASN A 31 2.048 2.558 2.593 1.00 0.00 C ATOM 465 O ASN A 31 1.066 1.869 2.310 1.00 0.00 O ATOM 466 CB ASN A 31 2.784 3.545 4.770 1.00 0.00 C ATOM 467 CG ASN A 31 1.593 3.535 5.706 1.00 0.00 C ATOM 468 OD1 ASN A 31 0.837 2.564 5.758 1.00 0.00 O ATOM 469 ND2 ASN A 31 1.418 4.619 6.452 1.00 0.00 N ATOM 0 H ASN A 31 4.911 2.527 4.052 1.00 0.00 H new ATOM 0 HA ASN A 31 2.378 1.465 4.398 1.00 0.00 H new ATOM 0 HB2 ASN A 31 3.702 3.605 5.355 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.745 4.438 4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.632 4.670 7.101 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.069 5.401 6.377 1.00 0.00 H new ATOM 476 N LEU A 32 2.482 3.548 1.822 1.00 0.00 N ATOM 477 CA LEU A 32 1.816 3.892 0.671 1.00 0.00 C ATOM 478 C LEU A 32 2.576 4.986 -0.171 1.00 0.00 C ATOM 479 O LEU A 32 2.529 5.064 -1.397 1.00 0.00 O ATOM 480 CB LEU A 32 0.382 4.348 0.742 1.00 0.00 C ATOM 481 CG LEU A 32 -0.153 5.524 1.579 1.00 0.00 C ATOM 482 CD1 LEU A 32 0.428 5.688 2.980 1.00 0.00 C ATOM 483 CD2 LEU A 32 0.144 6.828 0.888 1.00 0.00 C ATOM 0 H LEU A 32 3.312 4.108 2.018 1.00 0.00 H new ATOM 0 HA LEU A 32 1.796 2.906 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.090 4.562 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.189 3.476 1.061 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.212 5.284 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.030 6.550 3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.224 4.792 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.505 5.840 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.239 7.653 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.222 6.938 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.336 6.839 -0.091 1.00 0.00 H new ATOM 495 N HIS A 33 3.279 5.827 0.582 1.00 0.00 N ATOM 496 CA HIS A 33 4.050 6.915 -0.008 1.00 0.00 C ATOM 497 C HIS A 33 4.915 6.404 -1.155 1.00 0.00 C ATOM 498 O HIS A 33 5.719 5.487 -0.982 1.00 0.00 O ATOM 499 CB HIS A 33 4.930 7.577 1.055 1.00 0.00 C ATOM 500 CG HIS A 33 4.776 9.066 1.115 1.00 0.00 C ATOM 501 ND1 HIS A 33 5.747 9.904 1.622 1.00 0.00 N ATOM 502 CD2 HIS A 33 3.756 9.867 0.725 1.00 0.00 C ATOM 503 CE1 HIS A 33 5.331 11.154 1.543 1.00 0.00 C ATOM 504 NE2 HIS A 33 4.127 11.160 1.003 1.00 0.00 N ATOM 0 H HIS A 33 3.330 5.776 1.599 1.00 0.00 H new ATOM 0 HA HIS A 33 3.352 7.653 -0.403 1.00 0.00 H new ATOM 0 HB2 HIS A 33 4.688 7.155 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 33 5.974 7.335 0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 33 2.825 9.549 0.279 1.00 0.00 H new ATOM 0 HE1 HIS A 33 5.883 12.025 1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.563 11.990 0.821 1.00 0.00 H new ATOM 513 N GLY A 34 4.744 7.004 -2.329 1.00 0.00 N ATOM 514 CA GLY A 34 5.514 6.595 -3.488 1.00 0.00 C ATOM 515 C GLY A 34 5.086 5.242 -4.021 1.00 0.00 C ATOM 516 O GLY A 34 5.812 4.612 -4.790 1.00 0.00 O ATOM 0 H GLY A 34 4.086 7.765 -2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.406 7.342 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.571 6.560 -3.224 1.00 0.00 H new ATOM 520 N LEU A 35 3.904 4.795 -3.611 1.00 0.00 N ATOM 521 CA LEU A 35 3.378 3.508 -4.051 1.00 0.00 C ATOM 522 C LEU A 35 3.209 3.482 -5.567 1.00 0.00 C ATOM 523 O LEU A 35 3.632 2.536 -6.231 1.00 0.00 O ATOM 524 CB LEU A 35 2.038 3.222 -3.371 1.00 0.00 C ATOM 525 CG LEU A 35 1.468 1.826 -3.629 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.483 0.758 -3.255 1.00 0.00 C ATOM 527 CD2 LEU A 35 0.174 1.629 -2.852 1.00 0.00 C ATOM 0 H LEU A 35 3.292 5.305 -2.974 1.00 0.00 H new ATOM 0 HA LEU A 35 4.092 2.734 -3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.157 3.357 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.312 3.962 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 35 1.249 1.733 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.060 -0.228 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.385 0.888 -3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.733 0.848 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.219 0.631 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.369 1.741 -1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.557 2.374 -3.167 1.00 0.00 H new ATOM 539 N PHE A 36 2.591 4.528 -6.105 1.00 0.00 N ATOM 540 CA PHE A 36 2.368 4.626 -7.542 1.00 0.00 C ATOM 541 C PHE A 36 3.246 5.711 -8.154 1.00 0.00 C ATOM 542 O PHE A 36 3.026 6.138 -9.288 1.00 0.00 O ATOM 543 CB PHE A 36 0.895 4.919 -7.833 1.00 0.00 C ATOM 544 CG PHE A 36 -0.041 4.410 -6.774 1.00 0.00 C ATOM 545 CD1 PHE A 36 -0.635 3.163 -6.896 1.00 0.00 C ATOM 546 CD2 PHE A 36 -0.327 5.176 -5.655 1.00 0.00 C ATOM 547 CE1 PHE A 36 -1.497 2.691 -5.924 1.00 0.00 C ATOM 548 CE2 PHE A 36 -1.187 4.710 -4.680 1.00 0.00 C ATOM 549 CZ PHE A 36 -1.772 3.466 -4.816 1.00 0.00 C ATOM 0 H PHE A 36 2.236 5.319 -5.568 1.00 0.00 H new ATOM 0 HA PHE A 36 2.635 3.670 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.761 5.996 -7.937 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.626 4.471 -8.789 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.421 2.553 -7.761 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.128 6.149 -5.544 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.954 1.718 -6.031 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.402 5.317 -3.813 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.445 3.100 -4.055 1.00 0.00 H new ATOM 559 N GLY A 37 4.245 6.153 -7.396 1.00 0.00 N ATOM 560 CA GLY A 37 5.145 7.185 -7.877 1.00 0.00 C ATOM 561 C GLY A 37 6.599 6.756 -7.824 1.00 0.00 C ATOM 562 O GLY A 37 7.378 7.062 -8.726 1.00 0.00 O ATOM 0 H GLY A 37 4.447 5.814 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.882 7.443 -8.903 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.013 8.086 -7.278 1.00 0.00 H new ATOM 566 N ARG A 38 6.962 6.043 -6.763 1.00 0.00 N ATOM 567 CA ARG A 38 8.330 5.567 -6.592 1.00 0.00 C ATOM 568 C ARG A 38 8.511 4.200 -7.245 1.00 0.00 C ATOM 569 O ARG A 38 7.535 3.556 -7.634 1.00 0.00 O ATOM 570 CB ARG A 38 8.685 5.491 -5.107 1.00 0.00 C ATOM 571 CG ARG A 38 8.765 6.850 -4.430 1.00 0.00 C ATOM 572 CD ARG A 38 9.471 6.762 -3.088 1.00 0.00 C ATOM 573 NE ARG A 38 10.586 7.699 -2.992 1.00 0.00 N ATOM 574 CZ ARG A 38 10.485 8.995 -3.270 1.00 0.00 C ATOM 575 NH1 ARG A 38 9.324 9.502 -3.659 1.00 0.00 N ATOM 576 NH2 ARG A 38 11.544 9.783 -3.159 1.00 0.00 N ATOM 0 H ARG A 38 6.328 5.782 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 38 9.001 6.275 -7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.940 4.882 -4.595 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.643 4.982 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.296 7.549 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.760 7.247 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 38 8.757 6.965 -2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.837 5.747 -2.937 1.00 0.00 H new ATOM 0 HE ARG A 38 11.493 7.339 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.507 8.898 -3.745 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.248 10.497 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.439 9.396 -2.860 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.465 10.777 -3.373 1.00 0.00 H new ATOM 590 N LYS A 39 9.760 3.765 -7.376 1.00 0.00 N ATOM 591 CA LYS A 39 10.055 2.477 -7.996 1.00 0.00 C ATOM 592 C LYS A 39 9.292 1.349 -7.317 1.00 0.00 C ATOM 593 O LYS A 39 8.138 1.079 -7.654 1.00 0.00 O ATOM 594 CB LYS A 39 11.556 2.184 -7.962 1.00 0.00 C ATOM 595 CG LYS A 39 11.945 0.889 -8.669 1.00 0.00 C ATOM 596 CD LYS A 39 10.840 0.402 -9.597 1.00 0.00 C ATOM 597 CE LYS A 39 10.529 1.422 -10.677 1.00 0.00 C ATOM 598 NZ LYS A 39 9.205 1.175 -11.310 1.00 0.00 N ATOM 0 H LYS A 39 10.581 4.282 -7.063 1.00 0.00 H new ATOM 0 HA LYS A 39 9.732 2.536 -9.035 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.090 3.014 -8.424 1.00 0.00 H new ATOM 0 HB3 LYS A 39 11.884 2.133 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.859 1.047 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.163 0.120 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.140 -0.538 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.940 0.199 -9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.544 2.423 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.307 1.392 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.792 2.079 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 9.325 0.554 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.571 0.719 -10.623 1.00 0.00 H new ATOM 612 N THR A 40 9.943 0.476 -6.576 1.00 0.00 N ATOM 613 CA THR A 40 9.215 -0.437 -5.678 1.00 0.00 C ATOM 614 C THR A 40 9.918 -0.559 -4.239 1.00 0.00 C ATOM 615 O THR A 40 10.866 -1.155 -3.989 1.00 0.00 O ATOM 616 CB THR A 40 9.037 -1.847 -6.077 1.00 0.00 C ATOM 617 OG1 THR A 40 10.240 -2.547 -6.295 1.00 0.00 O ATOM 618 CG2 THR A 40 7.953 -2.197 -6.928 1.00 0.00 C ATOM 0 H THR A 40 10.957 0.369 -6.567 1.00 0.00 H new ATOM 0 HA THR A 40 8.243 0.056 -5.697 1.00 0.00 H new ATOM 0 HB THR A 40 8.630 -2.254 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.871 -2.346 -5.572 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.973 -3.270 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.012 -1.931 -6.446 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.042 -1.658 -7.871 1.00 0.00 H new ATOM 626 N GLY A 41 9.058 -0.008 -3.297 1.00 0.00 N ATOM 627 CA GLY A 41 9.437 -0.085 -1.895 1.00 0.00 C ATOM 628 C GLY A 41 10.833 0.445 -1.625 1.00 0.00 C ATOM 629 O GLY A 41 11.556 -0.096 -0.789 1.00 0.00 O ATOM 0 H GLY A 41 8.171 0.454 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.719 0.479 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.379 -1.122 -1.566 1.00 0.00 H new ATOM 633 N GLN A 42 11.217 1.504 -2.331 1.00 0.00 N ATOM 634 CA GLN A 42 12.539 2.100 -2.153 1.00 0.00 C ATOM 635 C GLN A 42 12.465 3.352 -1.287 1.00 0.00 C ATOM 636 O GLN A 42 13.081 4.372 -1.599 1.00 0.00 O ATOM 637 CB GLN A 42 13.157 2.441 -3.512 1.00 0.00 C ATOM 638 CG GLN A 42 12.147 2.507 -4.644 1.00 0.00 C ATOM 639 CD GLN A 42 10.996 3.443 -4.341 1.00 0.00 C ATOM 640 OE1 GLN A 42 11.200 4.595 -3.959 1.00 0.00 O ATOM 641 NE2 GLN A 42 9.774 2.950 -4.511 1.00 0.00 N ATOM 0 H GLN A 42 10.635 1.966 -3.029 1.00 0.00 H new ATOM 0 HA GLN A 42 13.170 1.370 -1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 42 13.669 3.400 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 42 13.913 1.694 -3.755 1.00 0.00 H new ATOM 0 HG2 GLN A 42 12.648 2.835 -5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.757 1.508 -4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.652 1.989 -4.829 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.958 3.533 -4.323 1.00 0.00 H new ATOM 650 N ALA A 43 11.710 3.270 -0.195 1.00 0.00 N ATOM 651 CA ALA A 43 11.557 4.398 0.717 1.00 0.00 C ATOM 652 C ALA A 43 12.914 4.919 1.183 1.00 0.00 C ATOM 653 O ALA A 43 13.956 4.365 0.835 1.00 0.00 O ATOM 654 CB ALA A 43 10.707 3.997 1.914 1.00 0.00 C ATOM 0 H ALA A 43 11.195 2.434 0.079 1.00 0.00 H new ATOM 0 HA ALA A 43 11.054 5.201 0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.601 4.848 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.722 3.681 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 11.189 3.175 2.443 1.00 0.00 H new ATOM 660 N PRO A 44 12.913 6.001 1.976 1.00 0.00 N ATOM 661 CA PRO A 44 14.141 6.609 2.492 1.00 0.00 C ATOM 662 C PRO A 44 14.707 5.858 3.694 1.00 0.00 C ATOM 663 O PRO A 44 15.316 4.800 3.545 1.00 0.00 O ATOM 664 CB PRO A 44 13.679 8.007 2.896 1.00 0.00 C ATOM 665 CG PRO A 44 12.256 7.825 3.299 1.00 0.00 C ATOM 666 CD PRO A 44 11.708 6.723 2.429 1.00 0.00 C ATOM 0 HA PRO A 44 14.948 6.600 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.277 8.401 3.717 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.771 8.710 2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.181 7.561 4.354 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.692 8.747 3.160 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.036 6.070 2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.141 7.122 1.588 1.00 0.00 H new ATOM 674 N GLY A 45 14.506 6.416 4.885 1.00 0.00 N ATOM 675 CA GLY A 45 15.004 5.787 6.095 1.00 0.00 C ATOM 676 C GLY A 45 14.246 4.522 6.448 1.00 0.00 C ATOM 677 O GLY A 45 14.473 3.925 7.498 1.00 0.00 O ATOM 0 H GLY A 45 14.007 7.293 5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.060 5.550 5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.932 6.492 6.923 1.00 0.00 H new ATOM 681 N PHE A 46 13.347 4.114 5.562 1.00 0.00 N ATOM 682 CA PHE A 46 12.547 2.913 5.775 1.00 0.00 C ATOM 683 C PHE A 46 13.326 1.663 5.381 1.00 0.00 C ATOM 684 O PHE A 46 13.963 1.626 4.327 1.00 0.00 O ATOM 685 CB PHE A 46 11.246 2.988 4.979 1.00 0.00 C ATOM 686 CG PHE A 46 10.363 1.786 5.163 1.00 0.00 C ATOM 687 CD1 PHE A 46 9.628 1.624 6.324 1.00 0.00 C ATOM 688 CD2 PHE A 46 10.271 0.820 4.174 1.00 0.00 C ATOM 689 CE1 PHE A 46 8.816 0.520 6.500 1.00 0.00 C ATOM 690 CE2 PHE A 46 9.460 -0.286 4.343 1.00 0.00 C ATOM 691 CZ PHE A 46 8.732 -0.436 5.507 1.00 0.00 C ATOM 0 H PHE A 46 13.152 4.598 4.686 1.00 0.00 H new ATOM 0 HA PHE A 46 12.309 2.853 6.837 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.697 3.881 5.277 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.482 3.097 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.690 2.370 7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.839 0.933 3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.249 0.405 7.412 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.395 -1.033 3.565 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.098 -1.300 5.640 1.00 0.00 H new ATOM 701 N THR A 47 13.272 0.643 6.229 1.00 0.00 N ATOM 702 CA THR A 47 13.975 -0.607 5.959 1.00 0.00 C ATOM 703 C THR A 47 13.182 -1.467 4.981 1.00 0.00 C ATOM 704 O THR A 47 12.207 -2.115 5.355 1.00 0.00 O ATOM 705 CB THR A 47 14.213 -1.375 7.259 1.00 0.00 C ATOM 706 OG1 THR A 47 15.560 -1.799 7.352 1.00 0.00 O ATOM 707 CG2 THR A 47 13.334 -2.601 7.401 1.00 0.00 C ATOM 0 H THR A 47 12.751 0.655 7.106 1.00 0.00 H new ATOM 0 HA THR A 47 14.939 -0.368 5.510 1.00 0.00 H new ATOM 0 HB THR A 47 13.964 -0.675 8.057 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.692 -2.287 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.554 -3.099 8.345 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.286 -2.301 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.529 -3.286 6.576 1.00 0.00 H new ATOM 715 N TYR A 48 13.607 -1.452 3.722 1.00 0.00 N ATOM 716 CA TYR A 48 12.939 -2.217 2.676 1.00 0.00 C ATOM 717 C TYR A 48 13.227 -3.706 2.801 1.00 0.00 C ATOM 718 O TYR A 48 14.218 -4.115 3.405 1.00 0.00 O ATOM 719 CB TYR A 48 13.384 -1.729 1.295 1.00 0.00 C ATOM 720 CG TYR A 48 14.432 -0.642 1.341 1.00 0.00 C ATOM 721 CD1 TYR A 48 15.723 -0.911 1.780 1.00 0.00 C ATOM 722 CD2 TYR A 48 14.133 0.656 0.944 1.00 0.00 C ATOM 723 CE1 TYR A 48 16.685 0.080 1.822 1.00 0.00 C ATOM 724 CE2 TYR A 48 15.091 1.652 0.983 1.00 0.00 C ATOM 725 CZ TYR A 48 16.363 1.359 1.422 1.00 0.00 C ATOM 726 OH TYR A 48 17.319 2.348 1.464 1.00 0.00 O ATOM 0 H TYR A 48 14.414 -0.917 3.401 1.00 0.00 H new ATOM 0 HA TYR A 48 11.866 -2.063 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.776 -2.575 0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 48 12.514 -1.359 0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 48 15.979 -1.912 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.137 0.890 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 48 17.683 -0.146 2.166 1.00 0.00 H new ATOM 0 HE2 TYR A 48 14.843 2.656 0.671 1.00 0.00 H new ATOM 0 HH TYR A 48 16.932 3.191 1.148 1.00 0.00 H new ATOM 736 N THR A 49 12.357 -4.511 2.201 1.00 0.00 N ATOM 737 CA THR A 49 12.509 -5.958 2.209 1.00 0.00 C ATOM 738 C THR A 49 13.516 -6.370 1.147 1.00 0.00 C ATOM 739 O THR A 49 13.939 -5.546 0.340 1.00 0.00 O ATOM 740 CB THR A 49 11.165 -6.638 1.949 1.00 0.00 C ATOM 741 OG1 THR A 49 10.755 -6.442 0.607 1.00 0.00 O ATOM 742 CG2 THR A 49 10.056 -6.137 2.845 1.00 0.00 C ATOM 0 H THR A 49 11.533 -4.180 1.699 1.00 0.00 H new ATOM 0 HA THR A 49 12.869 -6.270 3.189 1.00 0.00 H new ATOM 0 HB THR A 49 11.331 -7.694 2.162 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.894 -6.886 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.131 -6.662 2.607 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.319 -6.320 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.917 -5.067 2.689 1.00 0.00 H new ATOM 750 N ASP A 50 13.904 -7.636 1.144 1.00 0.00 N ATOM 751 CA ASP A 50 14.867 -8.112 0.163 1.00 0.00 C ATOM 752 C ASP A 50 14.391 -7.777 -1.246 1.00 0.00 C ATOM 753 O ASP A 50 15.192 -7.453 -2.123 1.00 0.00 O ATOM 754 CB ASP A 50 15.074 -9.622 0.305 1.00 0.00 C ATOM 755 CG ASP A 50 15.486 -10.273 -0.999 1.00 0.00 C ATOM 756 OD1 ASP A 50 16.659 -10.688 -1.111 1.00 0.00 O ATOM 757 OD2 ASP A 50 14.637 -10.370 -1.910 1.00 0.00 O ATOM 0 H ASP A 50 13.573 -8.344 1.800 1.00 0.00 H new ATOM 0 HA ASP A 50 15.820 -7.613 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.837 -9.812 1.060 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.152 -10.081 0.661 1.00 0.00 H new ATOM 762 N ALA A 51 13.079 -7.846 -1.453 1.00 0.00 N ATOM 763 CA ALA A 51 12.494 -7.538 -2.753 1.00 0.00 C ATOM 764 C ALA A 51 12.582 -6.043 -3.057 1.00 0.00 C ATOM 765 O ALA A 51 12.948 -5.643 -4.163 1.00 0.00 O ATOM 766 CB ALA A 51 11.047 -8.004 -2.803 1.00 0.00 C ATOM 0 H ALA A 51 12.402 -8.112 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 51 13.063 -8.070 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.622 -7.768 -3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.006 -9.081 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.475 -7.497 -2.026 1.00 0.00 H new ATOM 772 N ASN A 52 12.241 -5.220 -2.066 1.00 0.00 N ATOM 773 CA ASN A 52 12.279 -3.771 -2.234 1.00 0.00 C ATOM 774 C ASN A 52 13.694 -3.303 -2.552 1.00 0.00 C ATOM 775 O ASN A 52 13.901 -2.483 -3.448 1.00 0.00 O ATOM 776 CB ASN A 52 11.774 -3.077 -0.967 1.00 0.00 C ATOM 777 CG ASN A 52 10.320 -3.394 -0.676 1.00 0.00 C ATOM 778 OD1 ASN A 52 9.828 -3.150 0.428 1.00 0.00 O ATOM 779 ND2 ASN A 52 9.624 -3.941 -1.665 1.00 0.00 N ATOM 0 H ASN A 52 11.937 -5.531 -1.144 1.00 0.00 H new ATOM 0 HA ASN A 52 11.629 -3.507 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.387 -3.383 -0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.894 -1.999 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.641 -4.177 -1.527 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.072 -4.126 -2.563 1.00 0.00 H new ATOM 786 N LYS A 53 14.666 -3.837 -1.823 1.00 0.00 N ATOM 787 CA LYS A 53 16.063 -3.483 -2.039 1.00 0.00 C ATOM 788 C LYS A 53 16.475 -3.818 -3.465 1.00 0.00 C ATOM 789 O LYS A 53 17.322 -3.146 -4.055 1.00 0.00 O ATOM 790 CB LYS A 53 16.961 -4.225 -1.046 1.00 0.00 C ATOM 791 CG LYS A 53 16.661 -5.711 -0.949 1.00 0.00 C ATOM 792 CD LYS A 53 17.718 -6.440 -0.133 1.00 0.00 C ATOM 793 CE LYS A 53 17.369 -6.453 1.346 1.00 0.00 C ATOM 794 NZ LYS A 53 17.176 -7.837 1.859 1.00 0.00 N ATOM 0 H LYS A 53 14.513 -4.516 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 53 16.178 -2.411 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.002 -4.091 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 53 16.848 -3.775 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.682 -5.857 -0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 53 16.613 -6.140 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.816 -7.464 -0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.685 -5.958 -0.275 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.163 -5.964 1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.459 -5.875 1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.210 -7.938 2.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.323 -8.517 1.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.860 -8.024 2.619 1.00 0.00 H new ATOM 808 N ASN A 54 15.859 -4.859 -4.018 1.00 0.00 N ATOM 809 CA ASN A 54 16.147 -5.283 -5.381 1.00 0.00 C ATOM 810 C ASN A 54 15.487 -4.339 -6.377 1.00 0.00 C ATOM 811 O ASN A 54 15.840 -4.313 -7.556 1.00 0.00 O ATOM 812 CB ASN A 54 15.657 -6.714 -5.610 1.00 0.00 C ATOM 813 CG ASN A 54 16.296 -7.704 -4.655 1.00 0.00 C ATOM 814 OD1 ASN A 54 16.055 -8.909 -4.739 1.00 0.00 O ATOM 815 ND2 ASN A 54 17.117 -7.197 -3.744 1.00 0.00 N ATOM 0 H ASN A 54 15.157 -5.424 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 54 17.226 -5.255 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.574 -6.747 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.876 -7.010 -6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 54 17.579 -7.813 -3.075 1.00 0.00 H new ATOM 0 HD22 ASN A 54 17.286 -6.192 -3.713 1.00 0.00 H new ATOM 822 N LYS A 55 14.525 -3.562 -5.889 1.00 0.00 N ATOM 823 CA LYS A 55 13.809 -2.609 -6.728 1.00 0.00 C ATOM 824 C LYS A 55 12.840 -3.324 -7.660 1.00 0.00 C ATOM 825 O LYS A 55 12.976 -3.259 -8.882 1.00 0.00 O ATOM 826 CB LYS A 55 14.797 -1.774 -7.543 1.00 0.00 C ATOM 827 CG LYS A 55 15.523 -0.720 -6.724 1.00 0.00 C ATOM 828 CD LYS A 55 17.000 -0.658 -7.079 1.00 0.00 C ATOM 829 CE LYS A 55 17.607 -2.050 -7.169 1.00 0.00 C ATOM 830 NZ LYS A 55 19.076 -2.032 -6.923 1.00 0.00 N ATOM 0 H LYS A 55 14.223 -3.574 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 55 13.236 -1.949 -6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.532 -2.438 -7.999 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.262 -1.285 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.065 0.254 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.412 -0.942 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.126 -0.142 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 55 17.532 -0.075 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.125 -2.704 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.409 -2.469 -8.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.452 -2.999 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 19.539 -1.428 -7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.264 -1.656 -5.972 1.00 0.00 H new ATOM 844 N GLY A 56 11.856 -4.000 -7.075 1.00 0.00 N ATOM 845 CA GLY A 56 10.873 -4.709 -7.870 1.00 0.00 C ATOM 846 C GLY A 56 10.219 -3.811 -8.896 1.00 0.00 C ATOM 847 O GLY A 56 10.839 -3.451 -9.898 1.00 0.00 O ATOM 0 H GLY A 56 11.723 -4.069 -6.066 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.352 -5.548 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.109 -5.126 -7.214 1.00 0.00 H new ATOM 851 N ILE A 57 8.971 -3.434 -8.646 1.00 0.00 N ATOM 852 CA ILE A 57 8.256 -2.558 -9.560 1.00 0.00 C ATOM 853 C ILE A 57 7.180 -1.644 -8.948 1.00 0.00 C ATOM 854 O ILE A 57 6.819 -1.920 -7.737 1.00 0.00 O ATOM 855 CB ILE A 57 7.515 -3.345 -10.647 1.00 0.00 C ATOM 856 CG1 ILE A 57 7.842 -2.753 -12.004 1.00 0.00 C ATOM 857 CG2 ILE A 57 6.018 -3.332 -10.404 1.00 0.00 C ATOM 858 CD1 ILE A 57 8.134 -1.275 -11.944 1.00 0.00 C ATOM 0 H ILE A 57 8.438 -3.719 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 57 9.073 -1.941 -9.935 1.00 0.00 H new ATOM 0 HB ILE A 57 7.843 -4.384 -10.618 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.704 -3.272 -12.423 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.006 -2.926 -12.681 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.517 -3.897 -11.190 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.802 -3.786 -9.437 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.657 -2.303 -10.411 1.00 0.00 H new ATOM 0 HD11 ILE A 57 8.361 -0.908 -12.945 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.264 -0.748 -11.553 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.989 -1.099 -11.291 1.00 0.00 H new ATOM 870 N THR A 58 6.750 -0.661 -9.550 1.00 0.00 N ATOM 871 CA THR A 58 5.809 0.288 -8.981 1.00 0.00 C ATOM 872 C THR A 58 4.410 -0.304 -8.922 1.00 0.00 C ATOM 873 O THR A 58 3.791 -0.580 -9.950 1.00 0.00 O ATOM 874 CB THR A 58 5.796 1.576 -9.806 1.00 0.00 C ATOM 875 OG1 THR A 58 5.981 2.709 -8.991 1.00 0.00 O ATOM 876 CG2 THR A 58 4.473 1.833 -10.493 1.00 0.00 C ATOM 0 H THR A 58 7.025 -0.435 -10.506 1.00 0.00 H new ATOM 0 HA THR A 58 6.129 0.517 -7.964 1.00 0.00 H new ATOM 0 HB THR A 58 6.597 1.431 -10.530 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.844 2.644 -8.532 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.532 2.762 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.248 1.008 -11.169 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.684 1.915 -9.745 1.00 0.00 H new ATOM 884 N TRP A 59 3.923 -0.492 -7.708 1.00 0.00 N ATOM 885 CA TRP A 59 2.598 -1.051 -7.480 1.00 0.00 C ATOM 886 C TRP A 59 1.513 -0.097 -7.967 1.00 0.00 C ATOM 887 O TRP A 59 1.274 0.950 -7.365 1.00 0.00 O ATOM 888 CB TRP A 59 2.412 -1.354 -5.995 1.00 0.00 C ATOM 889 CG TRP A 59 3.714 -1.509 -5.268 1.00 0.00 C ATOM 890 CD1 TRP A 59 4.519 -0.508 -4.810 1.00 0.00 C ATOM 891 CD2 TRP A 59 4.365 -2.738 -4.927 1.00 0.00 C ATOM 892 NE1 TRP A 59 5.634 -1.037 -4.207 1.00 0.00 N ATOM 893 CE2 TRP A 59 5.561 -2.405 -4.264 1.00 0.00 C ATOM 894 CE3 TRP A 59 4.055 -4.088 -5.118 1.00 0.00 C ATOM 895 CZ2 TRP A 59 6.445 -3.373 -3.792 1.00 0.00 C ATOM 896 CZ3 TRP A 59 4.933 -5.046 -4.647 1.00 0.00 C ATOM 897 CH2 TRP A 59 6.116 -4.685 -3.992 1.00 0.00 C ATOM 0 H TRP A 59 4.431 -0.263 -6.854 1.00 0.00 H new ATOM 0 HA TRP A 59 2.511 -1.978 -8.047 1.00 0.00 H new ATOM 0 HB2 TRP A 59 1.837 -0.551 -5.534 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.828 -2.268 -5.885 1.00 0.00 H new ATOM 0 HD1 TRP A 59 4.310 0.547 -4.907 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.392 -0.500 -3.786 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.146 -4.377 -5.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 7.358 -3.097 -3.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 4.702 -6.092 -4.787 1.00 0.00 H new ATOM 0 HH2 TRP A 59 6.782 -5.458 -3.638 1.00 0.00 H new ATOM 908 N LYS A 60 0.861 -0.470 -9.062 1.00 0.00 N ATOM 909 CA LYS A 60 -0.203 0.343 -9.642 1.00 0.00 C ATOM 910 C LYS A 60 -1.569 -0.236 -9.294 1.00 0.00 C ATOM 911 O LYS A 60 -1.665 -1.329 -8.742 1.00 0.00 O ATOM 912 CB LYS A 60 -0.034 0.431 -11.160 1.00 0.00 C ATOM 913 CG LYS A 60 -1.264 -0.005 -11.942 1.00 0.00 C ATOM 914 CD LYS A 60 -2.113 1.185 -12.358 1.00 0.00 C ATOM 915 CE LYS A 60 -2.583 1.058 -13.797 1.00 0.00 C ATOM 916 NZ LYS A 60 -2.126 2.202 -14.635 1.00 0.00 N ATOM 0 H LYS A 60 1.051 -1.335 -9.569 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.138 1.347 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.211 1.458 -11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.813 -0.187 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.955 -0.560 -12.828 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.861 -0.684 -11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.977 1.266 -11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.537 2.103 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.208 0.126 -14.220 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.671 1.004 -13.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.468 2.077 -15.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.504 3.090 -14.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.087 2.239 -14.635 1.00 0.00 H new ATOM 930 N GLU A 61 -2.624 0.503 -9.614 1.00 0.00 N ATOM 931 CA GLU A 61 -3.982 0.057 -9.330 1.00 0.00 C ATOM 932 C GLU A 61 -4.299 -1.243 -10.070 1.00 0.00 C ATOM 933 O GLU A 61 -4.669 -2.243 -9.454 1.00 0.00 O ATOM 934 CB GLU A 61 -4.990 1.138 -9.725 1.00 0.00 C ATOM 935 CG GLU A 61 -6.015 1.438 -8.644 1.00 0.00 C ATOM 936 CD GLU A 61 -7.433 1.138 -9.087 1.00 0.00 C ATOM 937 OE1 GLU A 61 -8.342 1.916 -8.733 1.00 0.00 O ATOM 938 OE2 GLU A 61 -7.636 0.123 -9.789 1.00 0.00 O ATOM 0 H GLU A 61 -2.565 1.413 -10.070 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.057 -0.129 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.451 2.054 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.510 0.825 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.784 0.850 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.941 2.488 -8.360 1.00 0.00 H new ATOM 945 N GLU A 62 -4.154 -1.220 -11.391 1.00 0.00 N ATOM 946 CA GLU A 62 -4.430 -2.393 -12.218 1.00 0.00 C ATOM 947 C GLU A 62 -3.488 -3.546 -11.881 1.00 0.00 C ATOM 948 O GLU A 62 -3.912 -4.697 -11.778 1.00 0.00 O ATOM 949 CB GLU A 62 -4.306 -2.035 -13.699 1.00 0.00 C ATOM 950 CG GLU A 62 -2.899 -2.200 -14.249 1.00 0.00 C ATOM 951 CD GLU A 62 -2.775 -1.730 -15.685 1.00 0.00 C ATOM 952 OE1 GLU A 62 -3.817 -1.624 -16.368 1.00 0.00 O ATOM 953 OE2 GLU A 62 -1.639 -1.466 -16.129 1.00 0.00 O ATOM 0 H GLU A 62 -3.846 -0.400 -11.914 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.450 -2.717 -12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.988 -2.662 -14.274 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.624 -1.002 -13.843 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.201 -1.640 -13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.610 -3.249 -14.188 1.00 0.00 H new ATOM 960 N THR A 63 -2.208 -3.231 -11.716 1.00 0.00 N ATOM 961 CA THR A 63 -1.207 -4.243 -11.398 1.00 0.00 C ATOM 962 C THR A 63 -1.492 -4.873 -10.041 1.00 0.00 C ATOM 963 O THR A 63 -1.160 -6.033 -9.799 1.00 0.00 O ATOM 964 CB THR A 63 0.194 -3.628 -11.404 1.00 0.00 C ATOM 965 OG1 THR A 63 1.031 -4.295 -12.329 1.00 0.00 O ATOM 966 CG2 THR A 63 0.873 -3.676 -10.051 1.00 0.00 C ATOM 0 H THR A 63 -1.839 -2.284 -11.797 1.00 0.00 H new ATOM 0 HA THR A 63 -1.255 -5.020 -12.160 1.00 0.00 H new ATOM 0 HB THR A 63 0.051 -2.585 -11.685 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.921 -3.886 -12.319 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.862 -3.224 -10.124 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.275 -3.126 -9.324 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.971 -4.713 -9.729 1.00 0.00 H new ATOM 974 N LEU A 64 -2.118 -4.099 -9.163 1.00 0.00 N ATOM 975 CA LEU A 64 -2.462 -4.572 -7.830 1.00 0.00 C ATOM 976 C LEU A 64 -3.606 -5.575 -7.899 1.00 0.00 C ATOM 977 O LEU A 64 -3.656 -6.530 -7.126 1.00 0.00 O ATOM 978 CB LEU A 64 -2.852 -3.391 -6.936 1.00 0.00 C ATOM 979 CG LEU A 64 -1.793 -2.975 -5.914 1.00 0.00 C ATOM 980 CD1 LEU A 64 -2.301 -1.817 -5.066 1.00 0.00 C ATOM 981 CD2 LEU A 64 -1.411 -4.155 -5.031 1.00 0.00 C ATOM 0 H LEU A 64 -2.398 -3.137 -9.352 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.590 -5.068 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.079 -2.534 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.769 -3.645 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.904 -2.646 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.536 -1.532 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.527 -0.967 -5.709 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.204 -2.122 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.657 -3.841 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.293 -4.513 -4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.009 -4.957 -5.650 1.00 0.00 H new ATOM 993 N MET A 65 -4.520 -5.350 -8.837 1.00 0.00 N ATOM 994 CA MET A 65 -5.664 -6.238 -9.013 1.00 0.00 C ATOM 995 C MET A 65 -5.195 -7.651 -9.340 1.00 0.00 C ATOM 996 O MET A 65 -5.714 -8.629 -8.801 1.00 0.00 O ATOM 997 CB MET A 65 -6.576 -5.720 -10.126 1.00 0.00 C ATOM 998 CG MET A 65 -7.363 -4.479 -9.740 1.00 0.00 C ATOM 999 SD MET A 65 -8.216 -4.662 -8.162 1.00 0.00 S ATOM 1000 CE MET A 65 -6.945 -4.118 -7.025 1.00 0.00 C ATOM 0 H MET A 65 -4.491 -4.563 -9.485 1.00 0.00 H new ATOM 0 HA MET A 65 -6.227 -6.261 -8.080 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.972 -5.498 -11.005 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.273 -6.509 -10.409 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.686 -3.626 -9.686 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.092 -4.259 -10.520 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.355 -4.072 -6.016 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.112 -4.821 -7.047 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.593 -3.129 -7.319 1.00 0.00 H new ATOM 1010 N GLU A 66 -4.202 -7.747 -10.216 1.00 0.00 N ATOM 1011 CA GLU A 66 -3.651 -9.039 -10.607 1.00 0.00 C ATOM 1012 C GLU A 66 -2.714 -9.566 -9.527 1.00 0.00 C ATOM 1013 O GLU A 66 -2.667 -10.767 -9.258 1.00 0.00 O ATOM 1014 CB GLU A 66 -2.902 -8.920 -11.936 1.00 0.00 C ATOM 1015 CG GLU A 66 -2.056 -7.661 -12.046 1.00 0.00 C ATOM 1016 CD GLU A 66 -1.241 -7.618 -13.324 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -0.485 -8.579 -13.580 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -1.358 -6.622 -14.069 1.00 0.00 O ATOM 0 H GLU A 66 -3.762 -6.946 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.476 -9.741 -10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.260 -9.792 -12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.623 -8.936 -12.753 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.705 -6.786 -12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.385 -7.602 -11.189 1.00 0.00 H new ATOM 1025 N TYR A 67 -1.972 -8.654 -8.907 1.00 0.00 N ATOM 1026 CA TYR A 67 -1.036 -9.014 -7.849 1.00 0.00 C ATOM 1027 C TYR A 67 -1.769 -9.633 -6.665 1.00 0.00 C ATOM 1028 O TYR A 67 -1.181 -10.375 -5.876 1.00 0.00 O ATOM 1029 CB TYR A 67 -0.261 -7.776 -7.390 1.00 0.00 C ATOM 1030 CG TYR A 67 0.111 -7.803 -5.926 1.00 0.00 C ATOM 1031 CD1 TYR A 67 1.352 -8.272 -5.511 1.00 0.00 C ATOM 1032 CD2 TYR A 67 -0.779 -7.356 -4.956 1.00 0.00 C ATOM 1033 CE1 TYR A 67 1.696 -8.296 -4.172 1.00 0.00 C ATOM 1034 CE2 TYR A 67 -0.443 -7.377 -3.615 1.00 0.00 C ATOM 1035 CZ TYR A 67 0.794 -7.848 -3.228 1.00 0.00 C ATOM 1036 OH TYR A 67 1.133 -7.870 -1.896 1.00 0.00 O ATOM 0 H TYR A 67 -2.001 -7.657 -9.120 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.337 -9.750 -8.247 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.647 -7.685 -7.985 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.862 -6.888 -7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.060 -8.624 -6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.749 -6.986 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.665 -8.663 -3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.146 -7.026 -2.874 1.00 0.00 H new ATOM 0 HH TYR A 67 0.389 -7.520 -1.363 1.00 0.00 H new ATOM 1046 N LEU A 68 -3.055 -9.322 -6.546 1.00 0.00 N ATOM 1047 CA LEU A 68 -3.872 -9.847 -5.458 1.00 0.00 C ATOM 1048 C LEU A 68 -3.951 -11.368 -5.523 1.00 0.00 C ATOM 1049 O LEU A 68 -4.326 -12.024 -4.551 1.00 0.00 O ATOM 1050 CB LEU A 68 -5.278 -9.249 -5.515 1.00 0.00 C ATOM 1051 CG LEU A 68 -5.402 -7.831 -4.952 1.00 0.00 C ATOM 1052 CD1 LEU A 68 -6.779 -7.258 -5.253 1.00 0.00 C ATOM 1053 CD2 LEU A 68 -5.124 -7.776 -3.608 1.00 0.00 C ATOM 0 H LEU A 68 -3.555 -8.709 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.403 -9.566 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.612 -9.242 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.957 -9.902 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.652 -7.216 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.850 -6.249 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.932 -7.225 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.543 -7.888 -4.797 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.226 -6.749 -3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.821 -8.416 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.105 -8.120 -3.433 1.00 0.00 H new ATOM 1065 N GLU A 69 -3.591 -11.925 -6.675 1.00 0.00 N ATOM 1066 CA GLU A 69 -3.620 -13.370 -6.868 1.00 0.00 C ATOM 1067 C GLU A 69 -2.680 -14.068 -5.888 1.00 0.00 C ATOM 1068 O GLU A 69 -3.114 -14.603 -4.870 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.231 -13.721 -8.305 1.00 0.00 C ATOM 1070 CG GLU A 69 -4.137 -14.760 -8.943 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.756 -15.062 -10.380 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.705 -14.563 -10.833 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.510 -15.799 -11.052 1.00 0.00 O ATOM 0 H GLU A 69 -3.276 -11.397 -7.489 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.636 -13.717 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.250 -12.814 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.205 -14.090 -8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.097 -15.680 -8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.168 -14.407 -8.911 1.00 0.00 H new ATOM 1080 N ASN A 70 -1.389 -14.055 -6.206 1.00 0.00 N ATOM 1081 CA ASN A 70 -0.387 -14.683 -5.357 1.00 0.00 C ATOM 1082 C ASN A 70 0.607 -13.653 -4.831 1.00 0.00 C ATOM 1083 O ASN A 70 1.613 -13.361 -5.477 1.00 0.00 O ATOM 1084 CB ASN A 70 0.354 -15.778 -6.129 1.00 0.00 C ATOM 1085 CG ASN A 70 -0.397 -17.096 -6.129 1.00 0.00 C ATOM 1086 OD1 ASN A 70 -0.375 -17.835 -5.146 1.00 0.00 O ATOM 1087 ND2 ASN A 70 -1.064 -17.395 -7.237 1.00 0.00 N ATOM 0 H ASN A 70 -1.014 -13.616 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 70 -0.900 -15.132 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.509 -15.452 -7.157 1.00 0.00 H new ATOM 0 HB3 ASN A 70 1.340 -15.925 -5.689 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -1.587 -18.269 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.054 -16.751 -8.028 1.00 0.00 H new ATOM 1094 N PRO A 71 0.331 -13.088 -3.647 1.00 0.00 N ATOM 1095 CA PRO A 71 1.200 -12.083 -3.027 1.00 0.00 C ATOM 1096 C PRO A 71 2.655 -12.538 -2.961 1.00 0.00 C ATOM 1097 O PRO A 71 3.574 -11.723 -3.042 1.00 0.00 O ATOM 1098 CB PRO A 71 0.621 -11.936 -1.617 1.00 0.00 C ATOM 1099 CG PRO A 71 -0.810 -12.326 -1.755 1.00 0.00 C ATOM 1100 CD PRO A 71 -0.850 -13.389 -2.820 1.00 0.00 C ATOM 0 HA PRO A 71 1.218 -11.152 -3.594 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.140 -12.579 -0.906 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.720 -10.913 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.204 -12.704 -0.812 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.422 -11.469 -2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -0.796 -14.390 -2.391 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.771 -13.341 -3.402 1.00 0.00 H new ATOM 1108 N LYS A 72 2.856 -13.842 -2.814 1.00 0.00 N ATOM 1109 CA LYS A 72 4.198 -14.405 -2.739 1.00 0.00 C ATOM 1110 C LYS A 72 4.812 -14.535 -4.128 1.00 0.00 C ATOM 1111 O LYS A 72 6.034 -14.567 -4.277 1.00 0.00 O ATOM 1112 CB LYS A 72 4.163 -15.773 -2.052 1.00 0.00 C ATOM 1113 CG LYS A 72 4.619 -16.913 -2.949 1.00 0.00 C ATOM 1114 CD LYS A 72 6.126 -17.099 -2.889 1.00 0.00 C ATOM 1115 CE LYS A 72 6.772 -16.853 -4.244 1.00 0.00 C ATOM 1116 NZ LYS A 72 7.598 -18.011 -4.683 1.00 0.00 N ATOM 0 H LYS A 72 2.106 -14.530 -2.744 1.00 0.00 H new ATOM 0 HA LYS A 72 4.817 -13.727 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.797 -15.742 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.147 -15.974 -1.710 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.125 -17.836 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.317 -16.712 -3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.549 -16.415 -2.153 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.356 -18.110 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.997 -16.658 -4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.396 -15.961 -4.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.021 -17.804 -5.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.353 -18.182 -3.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.998 -18.857 -4.757 1.00 0.00 H new ATOM 1130 N LYS A 73 3.957 -14.609 -5.142 1.00 0.00 N ATOM 1131 CA LYS A 73 4.413 -14.734 -6.520 1.00 0.00 C ATOM 1132 C LYS A 73 5.069 -13.442 -6.996 1.00 0.00 C ATOM 1133 O LYS A 73 5.973 -13.464 -7.830 1.00 0.00 O ATOM 1134 CB LYS A 73 3.243 -15.094 -7.438 1.00 0.00 C ATOM 1135 CG LYS A 73 2.473 -13.885 -7.945 1.00 0.00 C ATOM 1136 CD LYS A 73 2.964 -13.450 -9.317 1.00 0.00 C ATOM 1137 CE LYS A 73 3.212 -14.645 -10.225 1.00 0.00 C ATOM 1138 NZ LYS A 73 2.079 -15.610 -10.195 1.00 0.00 N ATOM 0 H LYS A 73 2.943 -14.584 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 73 5.154 -15.532 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.621 -15.657 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.559 -15.751 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.411 -14.123 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.581 -13.061 -7.240 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.228 -12.790 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.884 -12.876 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.367 -14.299 -11.247 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.128 -15.150 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.947 -16.020 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.287 -16.369 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.210 -15.116 -9.907 1.00 0.00 H new ATOM 1152 N TYR A 74 4.608 -12.317 -6.458 1.00 0.00 N ATOM 1153 CA TYR A 74 5.151 -11.015 -6.830 1.00 0.00 C ATOM 1154 C TYR A 74 6.438 -10.725 -6.062 1.00 0.00 C ATOM 1155 O TYR A 74 7.419 -10.252 -6.635 1.00 0.00 O ATOM 1156 CB TYR A 74 4.122 -9.915 -6.564 1.00 0.00 C ATOM 1157 CG TYR A 74 3.293 -9.557 -7.776 1.00 0.00 C ATOM 1158 CD1 TYR A 74 2.300 -10.410 -8.239 1.00 0.00 C ATOM 1159 CD2 TYR A 74 3.503 -8.364 -8.457 1.00 0.00 C ATOM 1160 CE1 TYR A 74 1.540 -10.085 -9.347 1.00 0.00 C ATOM 1161 CE2 TYR A 74 2.748 -8.032 -9.565 1.00 0.00 C ATOM 1162 CZ TYR A 74 1.768 -8.897 -10.006 1.00 0.00 C ATOM 1163 OH TYR A 74 1.013 -8.569 -11.109 1.00 0.00 O ATOM 0 H TYR A 74 3.861 -12.281 -5.764 1.00 0.00 H new ATOM 0 HA TYR A 74 5.382 -11.034 -7.895 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.458 -10.237 -5.762 1.00 0.00 H new ATOM 0 HB3 TYR A 74 4.639 -9.023 -6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 74 2.118 -11.342 -7.725 1.00 0.00 H new ATOM 0 HD2 TYR A 74 4.270 -7.685 -8.114 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.771 -10.759 -9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.924 -7.101 -10.083 1.00 0.00 H new ATOM 0 HH TYR A 74 1.300 -7.698 -11.455 1.00 0.00 H new ATOM 1173 N ILE A 75 6.426 -11.013 -4.765 1.00 0.00 N ATOM 1174 CA ILE A 75 7.595 -10.784 -3.922 1.00 0.00 C ATOM 1175 C ILE A 75 7.883 -11.998 -3.046 1.00 0.00 C ATOM 1176 O ILE A 75 7.550 -12.016 -1.862 1.00 0.00 O ATOM 1177 CB ILE A 75 7.407 -9.548 -3.022 1.00 0.00 C ATOM 1178 CG1 ILE A 75 7.459 -8.267 -3.857 1.00 0.00 C ATOM 1179 CG2 ILE A 75 8.469 -9.521 -1.932 1.00 0.00 C ATOM 1180 CD1 ILE A 75 8.503 -8.303 -4.950 1.00 0.00 C ATOM 0 H ILE A 75 5.622 -11.405 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 75 8.439 -10.611 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 75 6.428 -9.608 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.481 -8.095 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.662 -7.422 -3.199 1.00 0.00 H new ATOM 0 HG21 ILE A 75 8.323 -8.642 -1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.387 -10.421 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.458 -9.481 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.484 -7.363 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.489 -8.444 -4.507 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.289 -9.128 -5.630 1.00 0.00 H new ATOM 1192 N PRO A 76 8.507 -13.034 -3.626 1.00 0.00 N ATOM 1193 CA PRO A 76 8.845 -14.264 -2.903 1.00 0.00 C ATOM 1194 C PRO A 76 9.740 -14.001 -1.697 1.00 0.00 C ATOM 1195 O PRO A 76 10.718 -13.258 -1.790 1.00 0.00 O ATOM 1196 CB PRO A 76 9.589 -15.106 -3.946 1.00 0.00 C ATOM 1197 CG PRO A 76 9.169 -14.549 -5.264 1.00 0.00 C ATOM 1198 CD PRO A 76 8.931 -13.084 -5.033 1.00 0.00 C ATOM 0 HA PRO A 76 7.957 -14.751 -2.500 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.669 -15.035 -3.813 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.327 -16.161 -3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.940 -14.706 -6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.265 -15.040 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.834 -12.497 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 76 8.164 -12.690 -5.700 1.00 0.00 H new ATOM 1206 N GLY A 77 9.402 -14.617 -0.570 1.00 0.00 N ATOM 1207 CA GLY A 77 10.188 -14.437 0.637 1.00 0.00 C ATOM 1208 C GLY A 77 9.499 -13.550 1.656 1.00 0.00 C ATOM 1209 O GLY A 77 9.860 -13.555 2.832 1.00 0.00 O ATOM 0 H GLY A 77 8.599 -15.237 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.388 -15.411 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.153 -14.002 0.376 1.00 0.00 H new ATOM 1213 N THR A 78 8.508 -12.787 1.206 1.00 0.00 N ATOM 1214 CA THR A 78 7.775 -11.894 2.095 1.00 0.00 C ATOM 1215 C THR A 78 6.440 -12.507 2.507 1.00 0.00 C ATOM 1216 O THR A 78 5.649 -12.927 1.663 1.00 0.00 O ATOM 1217 CB THR A 78 7.538 -10.544 1.414 1.00 0.00 C ATOM 1218 OG1 THR A 78 7.857 -9.480 2.292 1.00 0.00 O ATOM 1219 CG2 THR A 78 6.110 -10.348 0.954 1.00 0.00 C ATOM 0 H THR A 78 8.195 -12.769 0.235 1.00 0.00 H new ATOM 0 HA THR A 78 8.377 -11.743 2.991 1.00 0.00 H new ATOM 0 HB THR A 78 8.187 -10.543 0.538 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.060 -9.229 2.805 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.011 -9.371 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.848 -11.127 0.238 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.440 -10.404 1.812 1.00 0.00 H new ATOM 1227 N LYS A 79 6.196 -12.551 3.814 1.00 0.00 N ATOM 1228 CA LYS A 79 4.957 -13.110 4.343 1.00 0.00 C ATOM 1229 C LYS A 79 4.046 -12.007 4.870 1.00 0.00 C ATOM 1230 O LYS A 79 4.509 -11.054 5.497 1.00 0.00 O ATOM 1231 CB LYS A 79 5.261 -14.114 5.456 1.00 0.00 C ATOM 1232 CG LYS A 79 4.173 -15.156 5.650 1.00 0.00 C ATOM 1233 CD LYS A 79 3.545 -15.557 4.325 1.00 0.00 C ATOM 1234 CE LYS A 79 4.597 -15.990 3.318 1.00 0.00 C ATOM 1235 NZ LYS A 79 5.488 -17.050 3.867 1.00 0.00 N ATOM 0 H LYS A 79 6.840 -12.206 4.526 1.00 0.00 H new ATOM 0 HA LYS A 79 4.442 -13.624 3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.200 -14.619 5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.406 -13.574 6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.593 -16.036 6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.404 -14.762 6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.839 -16.371 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.977 -14.718 3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.107 -16.358 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.196 -15.128 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.861 -17.628 3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.278 -16.608 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.948 -17.654 4.518 1.00 0.00 H new ATOM 1249 N MET A 80 2.749 -12.143 4.616 1.00 0.00 N ATOM 1250 CA MET A 80 1.776 -11.156 5.072 1.00 0.00 C ATOM 1251 C MET A 80 0.987 -11.683 6.267 1.00 0.00 C ATOM 1252 O MET A 80 0.192 -12.614 6.136 1.00 0.00 O ATOM 1253 CB MET A 80 0.819 -10.788 3.935 1.00 0.00 C ATOM 1254 CG MET A 80 1.361 -9.710 3.010 1.00 0.00 C ATOM 1255 SD MET A 80 1.203 -8.056 3.708 1.00 0.00 S ATOM 1256 CE MET A 80 -0.193 -7.427 2.779 1.00 0.00 C ATOM 0 H MET A 80 2.347 -12.925 4.098 1.00 0.00 H new ATOM 0 HA MET A 80 2.319 -10.263 5.383 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.602 -11.682 3.350 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.125 -10.449 4.361 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.411 -9.912 2.798 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.830 -9.752 2.059 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.061 -6.456 2.353 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.439 -8.122 1.976 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.052 -7.319 3.441 1.00 0.00 H new ATOM 1266 N ILE A 81 1.385 -11.210 7.438 1.00 0.00 N ATOM 1267 CA ILE A 81 0.840 -11.535 8.750 1.00 0.00 C ATOM 1268 C ILE A 81 -0.195 -10.504 9.187 1.00 0.00 C ATOM 1269 O ILE A 81 0.054 -9.300 9.139 1.00 0.00 O ATOM 1270 CB ILE A 81 1.949 -11.614 9.818 1.00 0.00 C ATOM 1271 CG1 ILE A 81 2.961 -12.701 9.452 1.00 0.00 C ATOM 1272 CG2 ILE A 81 1.347 -11.879 11.190 1.00 0.00 C ATOM 1273 CD1 ILE A 81 4.113 -12.198 8.612 1.00 0.00 C ATOM 0 H ILE A 81 2.152 -10.541 7.502 1.00 0.00 H new ATOM 0 HA ILE A 81 0.363 -12.511 8.659 1.00 0.00 H new ATOM 0 HB ILE A 81 2.470 -10.657 9.853 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.355 -13.142 10.368 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.448 -13.496 8.911 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.143 -11.932 11.933 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.662 -11.071 11.449 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.804 -12.824 11.173 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.790 -13.023 8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.730 -11.784 7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.651 -11.424 9.159 1.00 0.00 H new ATOM 1285 N PHE A 82 -1.358 -10.984 9.614 1.00 0.00 N ATOM 1286 CA PHE A 82 -2.432 -10.104 10.062 1.00 0.00 C ATOM 1287 C PHE A 82 -3.293 -9.653 8.888 1.00 0.00 C ATOM 1288 O PHE A 82 -2.907 -9.800 7.728 1.00 0.00 O ATOM 1289 CB PHE A 82 -1.853 -8.886 10.783 1.00 0.00 C ATOM 1290 CG PHE A 82 -2.802 -8.264 11.769 1.00 0.00 C ATOM 1291 CD1 PHE A 82 -2.857 -8.714 13.077 1.00 0.00 C ATOM 1292 CD2 PHE A 82 -3.640 -7.230 11.383 1.00 0.00 C ATOM 1293 CE1 PHE A 82 -3.728 -8.144 13.984 1.00 0.00 C ATOM 1294 CE2 PHE A 82 -4.515 -6.656 12.287 1.00 0.00 C ATOM 1295 CZ PHE A 82 -4.558 -7.113 13.589 1.00 0.00 C ATOM 0 H PHE A 82 -1.581 -11.978 9.659 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.061 -10.663 10.755 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.942 -9.182 11.304 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.568 -8.138 10.043 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.211 -9.520 13.392 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.609 -6.869 10.366 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.760 -8.504 15.002 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.164 -5.851 11.975 1.00 0.00 H new ATOM 0 HZ PHE A 82 -5.239 -6.665 14.297 1.00 0.00 H new ATOM 1305 N ALA A 83 -4.464 -9.104 9.197 1.00 0.00 N ATOM 1306 CA ALA A 83 -5.383 -8.628 8.170 1.00 0.00 C ATOM 1307 C ALA A 83 -6.829 -8.905 8.559 1.00 0.00 C ATOM 1308 O ALA A 83 -7.383 -9.953 8.227 1.00 0.00 O ATOM 1309 CB ALA A 83 -5.061 -9.279 6.833 1.00 0.00 C ATOM 0 H ALA A 83 -4.799 -8.978 10.152 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.259 -7.549 8.077 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.754 -8.915 6.075 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.041 -9.028 6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.157 -10.361 6.923 1.00 0.00 H new ATOM 1315 N GLY A 84 -7.439 -7.959 9.267 1.00 0.00 N ATOM 1316 CA GLY A 84 -8.816 -8.122 9.689 1.00 0.00 C ATOM 1317 C GLY A 84 -9.804 -7.809 8.584 1.00 0.00 C ATOM 1318 O GLY A 84 -10.996 -7.636 8.834 1.00 0.00 O ATOM 0 H GLY A 84 -7.003 -7.083 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.969 -9.146 10.029 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.011 -7.471 10.541 1.00 0.00 H new ATOM 1322 N ILE A 85 -9.306 -7.738 7.355 1.00 0.00 N ATOM 1323 CA ILE A 85 -10.150 -7.448 6.203 1.00 0.00 C ATOM 1324 C ILE A 85 -9.883 -8.427 5.066 1.00 0.00 C ATOM 1325 O ILE A 85 -8.757 -8.890 4.883 1.00 0.00 O ATOM 1326 CB ILE A 85 -9.927 -6.012 5.687 1.00 0.00 C ATOM 1327 CG1 ILE A 85 -10.273 -4.996 6.778 1.00 0.00 C ATOM 1328 CG2 ILE A 85 -10.761 -5.763 4.439 1.00 0.00 C ATOM 1329 CD1 ILE A 85 -11.524 -4.194 6.482 1.00 0.00 C ATOM 0 H ILE A 85 -8.321 -7.878 7.131 1.00 0.00 H new ATOM 0 HA ILE A 85 -11.183 -7.551 6.536 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.875 -5.893 5.427 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.403 -5.521 7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.434 -4.312 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.593 -4.745 4.086 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.471 -6.469 3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -11.817 -5.896 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.709 -3.494 7.297 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.390 -3.641 5.552 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -12.374 -4.869 6.384 1.00 0.00 H new ATOM 1341 N LYS A 86 -10.925 -8.739 4.305 1.00 0.00 N ATOM 1342 CA LYS A 86 -10.804 -9.664 3.183 1.00 0.00 C ATOM 1343 C LYS A 86 -11.801 -9.319 2.087 1.00 0.00 C ATOM 1344 O LYS A 86 -11.484 -9.387 0.899 1.00 0.00 O ATOM 1345 CB LYS A 86 -11.021 -11.102 3.656 1.00 0.00 C ATOM 1346 CG LYS A 86 -11.985 -11.221 4.824 1.00 0.00 C ATOM 1347 CD LYS A 86 -11.313 -11.835 6.040 1.00 0.00 C ATOM 1348 CE LYS A 86 -12.005 -11.416 7.329 1.00 0.00 C ATOM 1349 NZ LYS A 86 -11.074 -11.436 8.490 1.00 0.00 N ATOM 0 H LYS A 86 -11.864 -8.365 4.444 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.798 -9.573 2.774 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.398 -11.696 2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.061 -11.529 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.372 -10.235 5.080 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.839 -11.832 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.326 -12.922 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.267 -11.531 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.417 -10.414 7.211 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.844 -12.084 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.583 -11.145 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.700 -12.398 8.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.287 -10.779 8.315 1.00 0.00 H new ATOM 1363 N LYS A 87 -13.007 -8.944 2.494 1.00 0.00 N ATOM 1364 CA LYS A 87 -14.053 -8.583 1.550 1.00 0.00 C ATOM 1365 C LYS A 87 -13.468 -7.859 0.341 1.00 0.00 C ATOM 1366 O LYS A 87 -12.911 -6.768 0.470 1.00 0.00 O ATOM 1367 CB LYS A 87 -15.091 -7.698 2.236 1.00 0.00 C ATOM 1368 CG LYS A 87 -16.512 -8.214 2.102 1.00 0.00 C ATOM 1369 CD LYS A 87 -17.083 -8.629 3.448 1.00 0.00 C ATOM 1370 CE LYS A 87 -18.349 -9.453 3.287 1.00 0.00 C ATOM 1371 NZ LYS A 87 -18.162 -10.578 2.332 1.00 0.00 N ATOM 0 H LYS A 87 -13.284 -8.882 3.474 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.533 -9.498 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.842 -7.613 3.294 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.036 -6.694 1.814 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.141 -7.440 1.662 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.529 -9.065 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.339 -9.207 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.299 -7.741 4.042 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.651 -9.847 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.158 -8.811 2.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.875 -11.312 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.269 -10.228 1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.211 -10.981 2.452 1.00 0.00 H new ATOM 1385 N LYS A 88 -13.600 -8.468 -0.831 1.00 0.00 N ATOM 1386 CA LYS A 88 -13.086 -7.879 -2.062 1.00 0.00 C ATOM 1387 C LYS A 88 -13.543 -6.431 -2.201 1.00 0.00 C ATOM 1388 O LYS A 88 -12.791 -5.574 -2.664 1.00 0.00 O ATOM 1389 CB LYS A 88 -13.548 -8.691 -3.273 1.00 0.00 C ATOM 1390 CG LYS A 88 -13.088 -8.115 -4.603 1.00 0.00 C ATOM 1391 CD LYS A 88 -13.323 -9.092 -5.743 1.00 0.00 C ATOM 1392 CE LYS A 88 -13.426 -10.522 -5.240 1.00 0.00 C ATOM 1393 NZ LYS A 88 -14.646 -10.733 -4.414 1.00 0.00 N ATOM 0 H LYS A 88 -14.059 -9.370 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 88 -11.997 -7.896 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -13.175 -9.711 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.637 -8.748 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -13.622 -7.186 -4.803 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -12.028 -7.868 -4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.239 -8.824 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.507 -9.016 -6.462 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.440 -11.205 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.542 -10.764 -4.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -14.375 -10.837 -3.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.281 -9.916 -4.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -15.136 -11.594 -4.732 1.00 0.00 H new ATOM 1407 N THR A 89 -14.781 -6.167 -1.798 1.00 0.00 N ATOM 1408 CA THR A 89 -15.341 -4.824 -1.879 1.00 0.00 C ATOM 1409 C THR A 89 -14.661 -3.887 -0.885 1.00 0.00 C ATOM 1410 O THR A 89 -14.545 -2.687 -1.129 1.00 0.00 O ATOM 1411 CB THR A 89 -16.845 -4.863 -1.609 1.00 0.00 C ATOM 1412 OG1 THR A 89 -17.109 -4.753 -0.222 1.00 0.00 O ATOM 1413 CG2 THR A 89 -17.509 -6.129 -2.104 1.00 0.00 C ATOM 0 H THR A 89 -15.416 -6.866 -1.412 1.00 0.00 H new ATOM 0 HA THR A 89 -15.166 -4.445 -2.886 1.00 0.00 H new ATOM 0 HB THR A 89 -17.259 -4.017 -2.158 1.00 0.00 H new ATOM 0 HG1 THR A 89 -18.077 -4.778 -0.070 1.00 0.00 H new ATOM 0 HG21 THR A 89 -18.575 -6.092 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 89 -17.367 -6.217 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 89 -17.064 -6.991 -1.607 1.00 0.00 H new ATOM 1421 N GLU A 90 -14.208 -4.446 0.231 1.00 0.00 N ATOM 1422 CA GLU A 90 -13.535 -3.662 1.260 1.00 0.00 C ATOM 1423 C GLU A 90 -12.126 -3.300 0.810 1.00 0.00 C ATOM 1424 O GLU A 90 -11.702 -2.149 0.915 1.00 0.00 O ATOM 1425 CB GLU A 90 -13.480 -4.441 2.576 1.00 0.00 C ATOM 1426 CG GLU A 90 -14.841 -4.915 3.058 1.00 0.00 C ATOM 1427 CD GLU A 90 -15.445 -3.994 4.100 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -15.974 -2.929 3.714 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -15.390 -4.336 5.299 1.00 0.00 O ATOM 0 H GLU A 90 -14.294 -5.439 0.447 1.00 0.00 H new ATOM 0 HA GLU A 90 -14.102 -2.745 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.827 -5.305 2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.031 -3.811 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.518 -4.988 2.207 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.745 -5.917 3.476 1.00 0.00 H new ATOM 1436 N ARG A 91 -11.412 -4.295 0.300 1.00 0.00 N ATOM 1437 CA ARG A 91 -10.053 -4.099 -0.180 1.00 0.00 C ATOM 1438 C ARG A 91 -10.028 -3.108 -1.340 1.00 0.00 C ATOM 1439 O ARG A 91 -9.262 -2.146 -1.332 1.00 0.00 O ATOM 1440 CB ARG A 91 -9.328 -5.367 -0.632 1.00 0.00 C ATOM 1441 CG ARG A 91 -8.922 -6.275 0.515 1.00 0.00 C ATOM 1442 CD ARG A 91 -7.565 -6.914 0.264 1.00 0.00 C ATOM 1443 NE ARG A 91 -7.595 -8.361 0.464 1.00 0.00 N ATOM 1444 CZ ARG A 91 -6.806 -9.210 -0.183 1.00 0.00 C ATOM 1445 NH1 ARG A 91 -5.927 -8.758 -1.068 1.00 0.00 N ATOM 1446 NH2 ARG A 91 -6.893 -10.512 0.053 1.00 0.00 N ATOM 0 H ARG A 91 -11.755 -5.251 0.208 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.520 -3.721 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.974 -5.922 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.438 -5.086 -1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -8.890 -5.701 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.673 -7.053 0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.244 -6.696 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.827 -6.471 0.932 1.00 0.00 H new ATOM 0 HE ARG A 91 -8.260 -8.740 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.857 -7.757 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.321 -9.411 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.567 -10.863 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.286 -11.162 -0.445 1.00 0.00 H new ATOM 1460 N GLU A 92 -10.876 -3.350 -2.335 1.00 0.00 N ATOM 1461 CA GLU A 92 -10.953 -2.480 -3.502 1.00 0.00 C ATOM 1462 C GLU A 92 -11.309 -1.054 -3.092 1.00 0.00 C ATOM 1463 O GLU A 92 -10.774 -0.089 -3.638 1.00 0.00 O ATOM 1464 CB GLU A 92 -11.989 -3.013 -4.494 1.00 0.00 C ATOM 1465 CG GLU A 92 -11.921 -2.348 -5.859 1.00 0.00 C ATOM 1466 CD GLU A 92 -10.613 -2.621 -6.576 1.00 0.00 C ATOM 1467 OE1 GLU A 92 -9.847 -3.486 -6.102 1.00 0.00 O ATOM 1468 OE2 GLU A 92 -10.357 -1.971 -7.611 1.00 0.00 O ATOM 0 H GLU A 92 -11.519 -4.141 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.975 -2.468 -3.982 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.846 -4.087 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.986 -2.869 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.749 -2.702 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.049 -1.272 -5.742 1.00 0.00 H new ATOM 1475 N ASP A 93 -12.212 -0.929 -2.124 1.00 0.00 N ATOM 1476 CA ASP A 93 -12.633 0.382 -1.642 1.00 0.00 C ATOM 1477 C ASP A 93 -11.440 1.164 -1.108 1.00 0.00 C ATOM 1478 O ASP A 93 -11.252 2.337 -1.439 1.00 0.00 O ATOM 1479 CB ASP A 93 -13.692 0.231 -0.547 1.00 0.00 C ATOM 1480 CG ASP A 93 -13.920 1.520 0.217 1.00 0.00 C ATOM 1481 OD1 ASP A 93 -14.374 1.450 1.379 1.00 0.00 O ATOM 1482 OD2 ASP A 93 -13.645 2.601 -0.345 1.00 0.00 O ATOM 0 H ASP A 93 -12.665 -1.716 -1.660 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.065 0.932 -2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.631 -0.093 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.384 -0.550 0.148 1.00 0.00 H new ATOM 1487 N GLY A 94 -10.627 0.505 -0.289 1.00 0.00 N ATOM 1488 CA GLY A 94 -9.455 1.153 0.267 1.00 0.00 C ATOM 1489 C GLY A 94 -8.512 1.636 -0.815 1.00 0.00 C ATOM 1490 O GLY A 94 -7.884 2.687 -0.679 1.00 0.00 O ATOM 0 H GLY A 94 -10.759 -0.465 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.765 1.998 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.931 0.457 0.921 1.00 0.00 H new ATOM 1494 N ILE A 95 -8.417 0.867 -1.894 1.00 0.00 N ATOM 1495 CA ILE A 95 -7.551 1.217 -3.008 1.00 0.00 C ATOM 1496 C ILE A 95 -7.966 2.547 -3.627 1.00 0.00 C ATOM 1497 O ILE A 95 -7.118 3.357 -3.995 1.00 0.00 O ATOM 1498 CB ILE A 95 -7.565 0.119 -4.085 1.00 0.00 C ATOM 1499 CG1 ILE A 95 -6.453 -0.888 -3.813 1.00 0.00 C ATOM 1500 CG2 ILE A 95 -7.422 0.720 -5.477 1.00 0.00 C ATOM 1501 CD1 ILE A 95 -6.280 -1.903 -4.917 1.00 0.00 C ATOM 0 H ILE A 95 -8.932 -0.005 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.539 1.312 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.524 -0.397 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.514 -0.352 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.666 -1.410 -2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.435 -0.077 -6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.249 1.404 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.479 1.263 -5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.473 -2.588 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.206 -2.464 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.036 -1.390 -5.848 1.00 0.00 H new ATOM 1513 N ALA A 96 -9.273 2.774 -3.726 1.00 0.00 N ATOM 1514 CA ALA A 96 -9.781 4.019 -4.286 1.00 0.00 C ATOM 1515 C ALA A 96 -9.226 5.203 -3.507 1.00 0.00 C ATOM 1516 O ALA A 96 -8.711 6.163 -4.087 1.00 0.00 O ATOM 1517 CB ALA A 96 -11.303 4.028 -4.265 1.00 0.00 C ATOM 0 H ALA A 96 -9.993 2.116 -3.428 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.455 4.100 -5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.667 4.965 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -11.680 3.193 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.653 3.932 -3.237 1.00 0.00 H new ATOM 1523 N TYR A 97 -9.315 5.116 -2.184 1.00 0.00 N ATOM 1524 CA TYR A 97 -8.801 6.167 -1.317 1.00 0.00 C ATOM 1525 C TYR A 97 -7.304 6.336 -1.546 1.00 0.00 C ATOM 1526 O TYR A 97 -6.784 7.448 -1.534 1.00 0.00 O ATOM 1527 CB TYR A 97 -9.076 5.832 0.150 1.00 0.00 C ATOM 1528 CG TYR A 97 -8.306 6.696 1.123 1.00 0.00 C ATOM 1529 CD1 TYR A 97 -7.745 6.152 2.272 1.00 0.00 C ATOM 1530 CD2 TYR A 97 -8.143 8.057 0.894 1.00 0.00 C ATOM 1531 CE1 TYR A 97 -7.042 6.939 3.164 1.00 0.00 C ATOM 1532 CE2 TYR A 97 -7.439 8.849 1.782 1.00 0.00 C ATOM 1533 CZ TYR A 97 -6.892 8.286 2.915 1.00 0.00 C ATOM 1534 OH TYR A 97 -6.193 9.073 3.801 1.00 0.00 O ATOM 0 H TYR A 97 -9.738 4.330 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.308 7.102 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.143 5.942 0.345 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -8.825 4.786 0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.860 5.097 2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.573 8.503 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -6.612 6.500 4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -7.318 9.905 1.589 1.00 0.00 H new ATOM 0 HH TYR A 97 -6.179 9.998 3.477 1.00 0.00 H new ATOM 1544 N LEU A 98 -6.627 5.212 -1.764 1.00 0.00 N ATOM 1545 CA LEU A 98 -5.188 5.215 -2.009 1.00 0.00 C ATOM 1546 C LEU A 98 -4.863 5.979 -3.288 1.00 0.00 C ATOM 1547 O LEU A 98 -3.831 6.642 -3.381 1.00 0.00 O ATOM 1548 CB LEU A 98 -4.675 3.777 -2.121 1.00 0.00 C ATOM 1549 CG LEU A 98 -3.457 3.451 -1.257 1.00 0.00 C ATOM 1550 CD1 LEU A 98 -3.220 1.949 -1.219 1.00 0.00 C ATOM 1551 CD2 LEU A 98 -2.224 4.175 -1.780 1.00 0.00 C ATOM 0 H LEU A 98 -7.053 4.285 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.696 5.710 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.484 3.098 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.425 3.578 -3.163 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.651 3.794 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.349 1.734 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.095 1.453 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.045 1.582 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.366 3.932 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.025 3.861 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.397 5.251 -1.757 1.00 0.00 H new ATOM 1563 N LYS A 99 -5.750 5.878 -4.272 1.00 0.00 N ATOM 1564 CA LYS A 99 -5.560 6.555 -5.548 1.00 0.00 C ATOM 1565 C LYS A 99 -5.441 8.060 -5.349 1.00 0.00 C ATOM 1566 O LYS A 99 -4.576 8.706 -5.941 1.00 0.00 O ATOM 1567 CB LYS A 99 -6.720 6.244 -6.494 1.00 0.00 C ATOM 1568 CG LYS A 99 -7.069 4.767 -6.567 1.00 0.00 C ATOM 1569 CD LYS A 99 -5.867 3.931 -6.978 1.00 0.00 C ATOM 1570 CE LYS A 99 -5.065 3.476 -5.770 1.00 0.00 C ATOM 1571 NZ LYS A 99 -5.100 1.997 -5.604 1.00 0.00 N ATOM 0 H LYS A 99 -6.609 5.332 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.634 6.189 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.600 6.801 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.467 6.598 -7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.434 4.430 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.879 4.618 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.203 3.061 -7.541 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.228 4.513 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.031 3.805 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.460 3.951 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.051 1.760 -4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.984 1.624 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.289 1.573 -6.099 1.00 0.00 H new ATOM 1585 N LYS A 100 -6.311 8.614 -4.511 1.00 0.00 N ATOM 1586 CA LYS A 100 -6.294 10.046 -4.239 1.00 0.00 C ATOM 1587 C LYS A 100 -5.161 10.400 -3.280 1.00 0.00 C ATOM 1588 O LYS A 100 -4.515 11.460 -3.410 1.00 0.00 O ATOM 1589 CB LYS A 100 -7.634 10.484 -3.643 1.00 0.00 C ATOM 1590 CG LYS A 100 -7.495 11.392 -2.432 1.00 0.00 C ATOM 1591 CD LYS A 100 -8.844 11.686 -1.798 1.00 0.00 C ATOM 1592 CE LYS A 100 -9.858 12.145 -2.832 1.00 0.00 C ATOM 1593 NZ LYS A 100 -9.616 13.549 -3.264 1.00 0.00 N ATOM 0 H LYS A 100 -7.033 8.096 -4.011 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.130 10.571 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -8.211 11.001 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.202 9.598 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.841 10.922 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.020 12.327 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.214 10.792 -1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.728 12.455 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.815 11.486 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.862 12.061 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.673 13.608 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.335 14.171 -2.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.671 13.850 -2.952 1.00 0.00 H new ATOM 1607 N ALA A 101 -4.933 9.488 -2.326 1.00 0.00 N ATOM 1608 CA ALA A 101 -3.894 9.635 -1.312 1.00 0.00 C ATOM 1609 C ALA A 101 -2.527 9.794 -1.946 1.00 0.00 C ATOM 1610 O ALA A 101 -1.635 10.424 -1.377 1.00 0.00 O ATOM 1611 CB ALA A 101 -3.906 8.446 -0.363 1.00 0.00 C ATOM 0 H ALA A 101 -5.470 8.625 -2.240 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.106 10.540 -0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.125 8.571 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.876 8.384 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.725 7.530 -0.925 1.00 0.00 H new ATOM 1617 N THR A 102 -2.374 9.245 -3.140 1.00 0.00 N ATOM 1618 CA THR A 102 -1.123 9.360 -3.860 1.00 0.00 C ATOM 1619 C THR A 102 -1.306 10.435 -4.905 1.00 0.00 C ATOM 1620 O THR A 102 -0.354 11.086 -5.336 1.00 0.00 O ATOM 1621 CB THR A 102 -0.745 8.029 -4.513 1.00 0.00 C ATOM 1622 OG1 THR A 102 0.182 8.231 -5.566 1.00 0.00 O ATOM 1623 CG2 THR A 102 -1.934 7.286 -5.085 1.00 0.00 C ATOM 0 H THR A 102 -3.099 8.718 -3.627 1.00 0.00 H new ATOM 0 HA THR A 102 -0.313 9.621 -3.178 1.00 0.00 H new ATOM 0 HB THR A 102 -0.310 7.428 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.058 7.879 -5.303 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.598 6.351 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.646 7.071 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 102 -2.415 7.900 -5.846 1.00 0.00 H new ATOM 1631 N ASN A 103 -2.570 10.666 -5.247 1.00 0.00 N ATOM 1632 CA ASN A 103 -2.928 11.722 -6.170 1.00 0.00 C ATOM 1633 C ASN A 103 -4.377 12.152 -5.954 1.00 0.00 C ATOM 1634 O ASN A 103 -5.308 11.412 -6.265 1.00 0.00 O ATOM 1635 CB ASN A 103 -2.729 11.256 -7.615 1.00 0.00 C ATOM 1636 CG ASN A 103 -1.676 10.171 -7.732 1.00 0.00 C ATOM 1637 OD1 ASN A 103 -0.518 10.448 -8.043 1.00 0.00 O ATOM 1638 ND2 ASN A 103 -2.076 8.931 -7.485 1.00 0.00 N ATOM 0 H ASN A 103 -3.362 10.130 -4.893 1.00 0.00 H new ATOM 0 HA ASN A 103 -2.278 12.577 -5.983 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -3.675 10.884 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -2.440 12.107 -8.232 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.413 8.159 -7.550 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.047 8.749 -7.230 1.00 0.00 H new ATOM 1645 N GLU A 104 -4.551 13.362 -5.447 1.00 0.00 N ATOM 1646 CA GLU A 104 -5.877 13.925 -5.202 1.00 0.00 C ATOM 1647 C GLU A 104 -5.829 14.946 -4.070 1.00 0.00 C ATOM 1648 O GLU A 104 -6.182 16.119 -4.317 1.00 0.00 O ATOM 1649 CB GLU A 104 -6.875 12.824 -4.863 1.00 0.00 C ATOM 1650 CG GLU A 104 -7.542 12.209 -6.085 1.00 0.00 C ATOM 1651 CD GLU A 104 -8.976 12.668 -6.257 1.00 0.00 C ATOM 1652 OE1 GLU A 104 -9.206 13.622 -7.032 1.00 0.00 O ATOM 1653 OE2 GLU A 104 -9.870 12.073 -5.621 1.00 0.00 O ATOM 1654 OXT GLU A 104 -5.442 14.566 -2.945 1.00 0.00 O ATOM 0 H GLU A 104 -3.782 13.983 -5.193 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.202 14.426 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.363 12.040 -4.306 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.644 13.231 -4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.971 12.470 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.520 11.123 -5.999 1.00 0.00 H new TER 1661 GLU A 104 HETATM 1662 FE HEC A 201 1.794 -4.760 3.307 1.00 0.00 FE HETATM 1663 CHA HEC A 201 4.540 -4.866 1.324 1.00 0.00 C HETATM 1664 CHB HEC A 201 0.129 -3.059 1.064 1.00 0.00 C HETATM 1665 CHC HEC A 201 -1.081 -5.611 4.858 1.00 0.00 C HETATM 1666 CHD HEC A 201 3.562 -5.859 5.886 1.00 0.00 C HETATM 1667 NA HEC A 201 2.231 -4.292 1.449 1.00 0.00 N HETATM 1668 C1A HEC A 201 3.485 -4.075 0.980 1.00 0.00 C HETATM 1669 C2A HEC A 201 3.562 -2.902 0.141 1.00 0.00 C HETATM 1670 C3A HEC A 201 2.320 -2.383 0.102 1.00 0.00 C HETATM 1671 C4A HEC A 201 1.486 -3.246 0.911 1.00 0.00 C HETATM 1672 CMA HEC A 201 1.888 -1.136 -0.649 1.00 0.00 C HETATM 1673 CAA HEC A 201 4.796 -2.354 -0.559 1.00 0.00 C HETATM 1674 CBA HEC A 201 4.587 -0.937 -1.066 1.00 0.00 C HETATM 1675 CGA HEC A 201 5.915 -0.346 -1.506 1.00 0.00 C HETATM 1676 O1A HEC A 201 6.104 0.836 -1.265 1.00 0.00 O HETATM 1677 O2A HEC A 201 6.698 -1.094 -2.068 1.00 0.00 O HETATM 1678 NB HEC A 201 -0.102 -4.473 2.963 1.00 0.00 N HETATM 1679 C1B HEC A 201 -0.625 -3.631 2.040 1.00 0.00 C HETATM 1680 C2B HEC A 201 -2.040 -3.407 2.242 1.00 0.00 C HETATM 1681 C3B HEC A 201 -2.391 -4.166 3.396 1.00 0.00 C HETATM 1682 C4B HEC A 201 -1.172 -4.790 3.767 1.00 0.00 C HETATM 1683 CMB HEC A 201 -2.959 -2.532 1.407 1.00 0.00 C HETATM 1684 CAB HEC A 201 -3.769 -4.232 3.941 1.00 0.00 C HETATM 1685 CBB HEC A 201 -4.959 -4.173 3.001 1.00 0.00 C HETATM 1686 NC HEC A 201 1.340 -5.497 5.058 1.00 0.00 N HETATM 1687 C1C HEC A 201 0.092 -5.907 5.503 1.00 0.00 C HETATM 1688 C2C HEC A 201 0.187 -6.693 6.718 1.00 0.00 C HETATM 1689 C3C HEC A 201 1.575 -6.772 7.003 1.00 0.00 C HETATM 1690 C4C HEC A 201 2.199 -6.026 5.985 1.00 0.00 C HETATM 1691 CMC HEC A 201 -0.956 -7.317 7.512 1.00 0.00 C HETATM 1692 CAC HEC A 201 2.194 -7.452 8.155 1.00 0.00 C HETATM 1693 CBC HEC A 201 2.573 -8.895 8.447 1.00 0.00 C HETATM 1694 ND HEC A 201 3.680 -5.273 3.561 1.00 0.00 N HETATM 1695 C1D HEC A 201 4.268 -5.733 4.715 1.00 0.00 C HETATM 1696 C2D HEC A 201 5.663 -6.040 4.540 1.00 0.00 C HETATM 1697 C3D HEC A 201 5.935 -5.760 3.254 1.00 0.00 C HETATM 1698 C4D HEC A 201 4.722 -5.279 2.624 1.00 0.00 C HETATM 1699 CMD HEC A 201 6.622 -6.571 5.595 1.00 0.00 C HETATM 1700 CAD HEC A 201 7.252 -5.890 2.493 1.00 0.00 C HETATM 1701 CBD HEC A 201 7.145 -6.765 1.254 1.00 0.00 C HETATM 1702 CGD HEC A 201 5.749 -7.372 1.149 1.00 0.00 C HETATM 1703 O1D HEC A 201 5.285 -7.505 0.028 1.00 0.00 O HETATM 1704 O2D HEC A 201 5.198 -7.679 2.195 1.00 0.00 O HETATM 0 HMD3 HEC A 201 6.684 -5.862 6.421 1.00 0.00 H new HETATM 0 HMD2 HEC A 201 6.260 -7.530 5.966 1.00 0.00 H new HETATM 0 HMD1 HEC A 201 7.611 -6.703 5.155 1.00 0.00 H new HETATM 0 HMC3 HEC A 201 -1.635 -6.534 7.850 1.00 0.00 H new HETATM 0 HMC2 HEC A 201 -1.499 -8.019 6.878 1.00 0.00 H new HETATM 0 HMC1 HEC A 201 -0.553 -7.845 8.376 1.00 0.00 H new HETATM 0 HMB3 HEC A 201 -2.599 -1.503 1.427 1.00 0.00 H new HETATM 0 HMB2 HEC A 201 -2.969 -2.893 0.378 1.00 0.00 H new HETATM 0 HMB1 HEC A 201 -3.969 -2.572 1.815 1.00 0.00 H new HETATM 0 HMA3 HEC A 201 2.450 -0.277 -0.282 1.00 0.00 H new HETATM 0 HMA2 HEC A 201 2.081 -1.267 -1.714 1.00 0.00 H new HETATM 0 HMA1 HEC A 201 0.823 -0.967 -0.491 1.00 0.00 H new HETATM 0 HBD2 HEC A 201 7.359 -6.173 0.364 1.00 0.00 H new HETATM 0 HBD1 HEC A 201 7.891 -7.559 1.296 1.00 0.00 H new HETATM 0 HBC3 HEC A 201 1.682 -9.521 8.405 1.00 0.00 H new HETATM 0 HBC2 HEC A 201 3.294 -9.239 7.705 1.00 0.00 H new HETATM 0 HBC1 HEC A 201 3.016 -8.961 9.441 1.00 0.00 H new HETATM 0 HBB3 HEC A 201 -4.939 -3.234 2.447 1.00 0.00 H new HETATM 0 HBB2 HEC A 201 -4.912 -5.008 2.302 1.00 0.00 H new HETATM 0 HBB1 HEC A 201 -5.882 -4.235 3.578 1.00 0.00 H new HETATM 0 HBA2 HEC A 201 3.886 -0.939 -1.900 1.00 0.00 H new HETATM 0 HBA1 HEC A 201 4.147 -0.322 -0.281 1.00 0.00 H new HETATM 0 HAD2 HEC A 201 7.594 -4.897 2.200 1.00 0.00 H new HETATM 0 HAD1 HEC A 201 8.009 -6.305 3.158 1.00 0.00 H new HETATM 0 HAA2 HEC A 201 5.640 -2.370 0.131 1.00 0.00 H new HETATM 0 HAA1 HEC A 201 5.055 -3.003 -1.396 1.00 0.00 H new HETATM 0 HHD HEC A 201 4.129 -5.824 6.816 1.00 0.00 H new HETATM 0 HHC HEC A 201 -1.999 -6.058 5.238 1.00 0.00 H new HETATM 0 HHB HEC A 201 -0.375 -2.406 0.352 1.00 0.00 H new HETATM 0 HHA HEC A 201 5.250 -5.176 0.558 1.00 0.00 H new