USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 869 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl -163:sc= -0.0877 (180deg=-0.476) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.941! C(o=-0.94!,f=-4.3!) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= 1.34 (180deg=1.1) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc=-0.00475 (180deg=-0.0604) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= -0.0226 (180deg=-0.265) USER MOD Single : A 41 MET CE :methyl 142:sc= -0.169 (180deg=-2.15) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.5!) USER MOD Single : A 51 THR OG1 : rot 52:sc= 0.312 USER MOD Single : A 55 SER OG : rot -78:sc= 1.26 USER MOD Single : A 64 GLN :FLIP amide:sc= 0.104 F(o=-2.4,f=0.1) USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= -0.0432 (180deg=-0.221) USER MOD Single : A 75 LYS NZ :NH3+ -124:sc= -0.153 (180deg=-0.631) USER MOD Single : A 81 THR OG1 : rot 150:sc= 0.493 USER MOD Single : A 83 SER OG : rot 30:sc= 0.0675 USER MOD Single : A 89 LYS NZ :NH3+ -147:sc= -0.734 (180deg=-2.11!) USER MOD Single : A 90 THR OG1 : rot 70:sc= 0.514 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0805) USER MOD Single : A 94 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0567) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc=-0.00721 (180deg=-0.128) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0154 F(o=-1.7!,f=-0.015) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.041 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0159) USER MOD Single : A 120 LYS NZ :NH3+ -172:sc=-0.00686 (180deg=-0.104) USER MOD Single : A 123 SER OG : rot -150:sc= -0.0244 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 6.923 -15.654 -0.045 1.00 1.82 N ATOM 2 CA MET A 21 6.396 -14.429 0.601 1.00 1.48 C ATOM 3 C MET A 21 5.664 -13.568 -0.414 1.00 1.22 C ATOM 4 O MET A 21 6.253 -13.117 -1.395 1.00 1.47 O ATOM 5 CB MET A 21 7.541 -13.622 1.227 1.00 1.86 C ATOM 6 CG MET A 21 7.097 -12.293 1.826 1.00 1.95 C ATOM 7 SD MET A 21 8.472 -11.313 2.466 1.00 2.87 S ATOM 8 CE MET A 21 9.105 -12.398 3.744 1.00 3.09 C ATOM 0 HA MET A 21 5.699 -14.728 1.384 1.00 1.48 H new ATOM 0 HB2 MET A 21 8.013 -14.222 2.005 1.00 1.86 H new ATOM 0 HB3 MET A 21 8.299 -13.433 0.467 1.00 1.86 H new ATOM 0 HG2 MET A 21 6.570 -11.716 1.066 1.00 1.95 H new ATOM 0 HG3 MET A 21 6.387 -12.483 2.631 1.00 1.95 H new ATOM 0 HE1 MET A 21 9.743 -11.830 4.420 1.00 3.09 H new ATOM 0 HE2 MET A 21 8.273 -12.825 4.304 1.00 3.09 H new ATOM 0 HE3 MET A 21 9.684 -13.200 3.286 1.00 3.09 H new ATOM 17 N ARG A 22 4.379 -13.340 -0.182 1.00 0.88 N ATOM 18 CA ARG A 22 3.600 -12.500 -1.070 1.00 0.73 C ATOM 19 C ARG A 22 3.311 -11.168 -0.391 1.00 0.55 C ATOM 20 O ARG A 22 2.311 -11.010 0.311 1.00 0.56 O ATOM 21 CB ARG A 22 2.301 -13.198 -1.483 1.00 0.86 C ATOM 22 CG ARG A 22 1.553 -12.486 -2.602 1.00 1.33 C ATOM 23 CD ARG A 22 2.409 -12.357 -3.853 1.00 1.33 C ATOM 24 NE ARG A 22 1.686 -11.712 -4.948 1.00 1.91 N ATOM 25 CZ ARG A 22 2.253 -10.903 -5.840 1.00 2.43 C ATOM 26 NH1 ARG A 22 3.553 -10.638 -5.777 1.00 2.62 N ATOM 27 NH2 ARG A 22 1.520 -10.362 -6.805 1.00 3.31 N ATOM 0 H ARG A 22 3.860 -13.723 0.608 1.00 0.88 H new ATOM 0 HA ARG A 22 4.176 -12.315 -1.977 1.00 0.73 H new ATOM 0 HB2 ARG A 22 2.531 -14.215 -1.801 1.00 0.86 H new ATOM 0 HB3 ARG A 22 1.648 -13.276 -0.614 1.00 0.86 H new ATOM 0 HG2 ARG A 22 0.642 -13.036 -2.839 1.00 1.33 H new ATOM 0 HG3 ARG A 22 1.249 -11.495 -2.264 1.00 1.33 H new ATOM 0 HD2 ARG A 22 3.305 -11.781 -3.621 1.00 1.33 H new ATOM 0 HD3 ARG A 22 2.739 -13.346 -4.170 1.00 1.33 H new ATOM 0 HE ARG A 22 0.686 -11.893 -5.034 1.00 1.91 H new ATOM 0 HH11 ARG A 22 4.124 -11.055 -5.042 1.00 2.62 H new ATOM 0 HH12 ARG A 22 3.981 -10.017 -6.464 1.00 2.62 H new ATOM 0 HH21 ARG A 22 0.522 -10.566 -6.863 1.00 3.31 H new ATOM 0 HH22 ARG A 22 1.954 -9.742 -7.489 1.00 3.31 H new ATOM 41 N LEU A 23 4.213 -10.225 -0.594 1.00 0.51 N ATOM 42 CA LEU A 23 4.119 -8.916 0.028 1.00 0.43 C ATOM 43 C LEU A 23 3.758 -7.888 -1.037 1.00 0.37 C ATOM 44 O LEU A 23 4.540 -7.636 -1.954 1.00 0.40 O ATOM 45 CB LEU A 23 5.462 -8.569 0.689 1.00 0.58 C ATOM 46 CG LEU A 23 5.437 -7.522 1.818 1.00 1.05 C ATOM 47 CD1 LEU A 23 4.987 -6.160 1.316 1.00 1.76 C ATOM 48 CD2 LEU A 23 4.544 -7.985 2.954 1.00 1.55 C ATOM 0 H LEU A 23 5.030 -10.344 -1.193 1.00 0.51 H new ATOM 0 HA LEU A 23 3.346 -8.915 0.796 1.00 0.43 H new ATOM 0 HB2 LEU A 23 5.890 -9.488 1.089 1.00 0.58 H new ATOM 0 HB3 LEU A 23 6.140 -8.214 -0.087 1.00 0.58 H new ATOM 0 HG LEU A 23 6.457 -7.418 2.188 1.00 1.05 H new ATOM 0 HD11 LEU A 23 4.983 -5.450 2.143 1.00 1.76 H new ATOM 0 HD12 LEU A 23 5.672 -5.812 0.543 1.00 1.76 H new ATOM 0 HD13 LEU A 23 3.982 -6.239 0.901 1.00 1.76 H new ATOM 0 HD21 LEU A 23 4.539 -7.232 3.743 1.00 1.55 H new ATOM 0 HD22 LEU A 23 3.529 -8.129 2.583 1.00 1.55 H new ATOM 0 HD23 LEU A 23 4.922 -8.926 3.353 1.00 1.55 H new ATOM 60 N VAL A 24 2.574 -7.310 -0.923 1.00 0.35 N ATOM 61 CA VAL A 24 2.092 -6.375 -1.927 1.00 0.37 C ATOM 62 C VAL A 24 2.047 -4.961 -1.369 1.00 0.38 C ATOM 63 O VAL A 24 1.536 -4.734 -0.276 1.00 0.42 O ATOM 64 CB VAL A 24 0.693 -6.766 -2.443 1.00 0.42 C ATOM 65 CG1 VAL A 24 0.326 -5.943 -3.667 1.00 0.46 C ATOM 66 CG2 VAL A 24 0.634 -8.254 -2.755 1.00 0.45 C ATOM 0 H VAL A 24 1.930 -7.471 -0.148 1.00 0.35 H new ATOM 0 HA VAL A 24 2.792 -6.413 -2.762 1.00 0.37 H new ATOM 0 HB VAL A 24 -0.034 -6.554 -1.659 1.00 0.42 H new ATOM 0 HG11 VAL A 24 -0.665 -6.233 -4.017 1.00 0.46 H new ATOM 0 HG12 VAL A 24 0.323 -4.885 -3.406 1.00 0.46 H new ATOM 0 HG13 VAL A 24 1.056 -6.120 -4.457 1.00 0.46 H new ATOM 0 HG21 VAL A 24 -0.361 -8.510 -3.118 1.00 0.45 H new ATOM 0 HG22 VAL A 24 1.372 -8.495 -3.520 1.00 0.45 H new ATOM 0 HG23 VAL A 24 0.849 -8.824 -1.851 1.00 0.45 H new ATOM 76 N VAL A 25 2.594 -4.020 -2.123 1.00 0.39 N ATOM 77 CA VAL A 25 2.641 -2.628 -1.710 1.00 0.41 C ATOM 78 C VAL A 25 2.008 -1.736 -2.773 1.00 0.39 C ATOM 79 O VAL A 25 2.594 -1.515 -3.833 1.00 0.42 O ATOM 80 CB VAL A 25 4.098 -2.163 -1.474 1.00 0.46 C ATOM 81 CG1 VAL A 25 4.134 -0.733 -0.962 1.00 0.51 C ATOM 82 CG2 VAL A 25 4.817 -3.091 -0.507 1.00 0.52 C ATOM 0 H VAL A 25 3.016 -4.200 -3.034 1.00 0.39 H new ATOM 0 HA VAL A 25 2.084 -2.546 -0.776 1.00 0.41 H new ATOM 0 HB VAL A 25 4.618 -2.199 -2.432 1.00 0.46 H new ATOM 0 HG11 VAL A 25 5.169 -0.429 -0.804 1.00 0.51 H new ATOM 0 HG12 VAL A 25 3.670 -0.073 -1.694 1.00 0.51 H new ATOM 0 HG13 VAL A 25 3.589 -0.670 -0.020 1.00 0.51 H new ATOM 0 HG21 VAL A 25 5.839 -2.741 -0.359 1.00 0.52 H new ATOM 0 HG22 VAL A 25 4.293 -3.097 0.449 1.00 0.52 H new ATOM 0 HG23 VAL A 25 4.835 -4.101 -0.917 1.00 0.52 H new ATOM 92 N LEU A 26 0.810 -1.237 -2.501 1.00 0.40 N ATOM 93 CA LEU A 26 0.158 -0.310 -3.415 1.00 0.38 C ATOM 94 C LEU A 26 0.205 1.089 -2.824 1.00 0.37 C ATOM 95 O LEU A 26 -0.454 1.381 -1.827 1.00 0.48 O ATOM 96 CB LEU A 26 -1.295 -0.716 -3.718 1.00 0.46 C ATOM 97 CG LEU A 26 -1.483 -2.158 -4.194 1.00 0.56 C ATOM 98 CD1 LEU A 26 -1.680 -3.090 -3.015 1.00 1.15 C ATOM 99 CD2 LEU A 26 -2.650 -2.270 -5.152 1.00 1.33 C ATOM 0 H LEU A 26 0.274 -1.456 -1.662 1.00 0.40 H new ATOM 0 HA LEU A 26 0.696 -0.333 -4.363 1.00 0.38 H new ATOM 0 HB2 LEU A 26 -1.892 -0.567 -2.818 1.00 0.46 H new ATOM 0 HB3 LEU A 26 -1.692 -0.044 -4.479 1.00 0.46 H new ATOM 0 HG LEU A 26 -0.578 -2.453 -4.725 1.00 0.56 H new ATOM 0 HD11 LEU A 26 -1.812 -4.110 -3.376 1.00 1.15 H new ATOM 0 HD12 LEU A 26 -0.806 -3.045 -2.365 1.00 1.15 H new ATOM 0 HD13 LEU A 26 -2.564 -2.786 -2.455 1.00 1.15 H new ATOM 0 HD21 LEU A 26 -2.759 -3.306 -5.473 1.00 1.33 H new ATOM 0 HD22 LEU A 26 -3.563 -1.947 -4.652 1.00 1.33 H new ATOM 0 HD23 LEU A 26 -2.469 -1.638 -6.021 1.00 1.33 H new ATOM 111 N ILE A 27 1.005 1.942 -3.434 1.00 0.33 N ATOM 112 CA ILE A 27 1.236 3.279 -2.912 1.00 0.36 C ATOM 113 C ILE A 27 0.597 4.328 -3.819 1.00 0.39 C ATOM 114 O ILE A 27 0.538 4.163 -5.041 1.00 0.40 O ATOM 115 CB ILE A 27 2.756 3.553 -2.742 1.00 0.44 C ATOM 116 CG1 ILE A 27 3.011 4.986 -2.261 1.00 0.93 C ATOM 117 CG2 ILE A 27 3.498 3.288 -4.043 1.00 1.32 C ATOM 118 CD1 ILE A 27 4.473 5.300 -2.015 1.00 1.36 C ATOM 0 H ILE A 27 1.509 1.733 -4.296 1.00 0.33 H new ATOM 0 HA ILE A 27 0.769 3.345 -1.929 1.00 0.36 H new ATOM 0 HB ILE A 27 3.135 2.870 -1.981 1.00 0.44 H new ATOM 0 HG12 ILE A 27 2.620 5.683 -3.002 1.00 0.93 H new ATOM 0 HG13 ILE A 27 2.453 5.154 -1.340 1.00 0.93 H new ATOM 0 HG21 ILE A 27 4.561 3.486 -3.903 1.00 1.32 H new ATOM 0 HG22 ILE A 27 3.358 2.248 -4.336 1.00 1.32 H new ATOM 0 HG23 ILE A 27 3.108 3.941 -4.824 1.00 1.32 H new ATOM 0 HD11 ILE A 27 4.572 6.332 -1.677 1.00 1.36 H new ATOM 0 HD12 ILE A 27 4.866 4.629 -1.251 1.00 1.36 H new ATOM 0 HD13 ILE A 27 5.035 5.166 -2.939 1.00 1.36 H new ATOM 130 N VAL A 28 0.100 5.394 -3.208 1.00 0.48 N ATOM 131 CA VAL A 28 -0.509 6.488 -3.943 1.00 0.56 C ATOM 132 C VAL A 28 0.573 7.496 -4.325 1.00 0.86 C ATOM 133 O VAL A 28 1.580 7.626 -3.627 1.00 1.37 O ATOM 134 CB VAL A 28 -1.604 7.175 -3.095 1.00 0.77 C ATOM 135 CG1 VAL A 28 -2.362 8.214 -3.904 1.00 1.12 C ATOM 136 CG2 VAL A 28 -2.568 6.145 -2.524 1.00 1.17 C ATOM 0 H VAL A 28 0.108 5.523 -2.196 1.00 0.48 H new ATOM 0 HA VAL A 28 -0.979 6.095 -4.844 1.00 0.56 H new ATOM 0 HB VAL A 28 -1.108 7.686 -2.270 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -3.124 8.678 -3.278 1.00 1.12 H new ATOM 0 HG12 VAL A 28 -1.668 8.977 -4.257 1.00 1.12 H new ATOM 0 HG13 VAL A 28 -2.838 7.733 -4.759 1.00 1.12 H new ATOM 0 HG21 VAL A 28 -3.330 6.650 -1.931 1.00 1.17 H new ATOM 0 HG22 VAL A 28 -3.044 5.601 -3.340 1.00 1.17 H new ATOM 0 HG23 VAL A 28 -2.021 5.446 -1.892 1.00 1.17 H new ATOM 146 N SER A 29 0.355 8.209 -5.422 1.00 0.85 N ATOM 147 CA SER A 29 1.378 9.055 -6.021 1.00 1.25 C ATOM 148 C SER A 29 1.868 10.131 -5.055 1.00 0.83 C ATOM 149 O SER A 29 1.083 10.747 -4.331 1.00 1.53 O ATOM 150 CB SER A 29 0.828 9.717 -7.279 1.00 2.38 C ATOM 151 OG SER A 29 1.853 10.350 -8.028 1.00 3.23 O ATOM 0 H SER A 29 -0.535 8.217 -5.921 1.00 0.85 H new ATOM 0 HA SER A 29 2.226 8.417 -6.271 1.00 1.25 H new ATOM 0 HB2 SER A 29 0.334 8.968 -7.898 1.00 2.38 H new ATOM 0 HB3 SER A 29 0.072 10.452 -7.003 1.00 2.38 H new ATOM 0 HG SER A 29 1.466 10.763 -8.828 1.00 3.23 H new ATOM 157 N ASN A 30 3.173 10.344 -5.079 1.00 1.19 N ATOM 158 CA ASN A 30 3.841 11.331 -4.248 1.00 1.67 C ATOM 159 C ASN A 30 5.107 11.764 -4.979 1.00 1.19 C ATOM 160 O ASN A 30 5.260 11.439 -6.158 1.00 1.38 O ATOM 161 CB ASN A 30 4.153 10.760 -2.859 1.00 2.93 C ATOM 162 CG ASN A 30 4.504 11.837 -1.844 1.00 3.86 C ATOM 163 OD1 ASN A 30 5.673 12.156 -1.637 1.00 4.32 O ATOM 164 ND2 ASN A 30 3.490 12.414 -1.214 1.00 4.58 N ATOM 0 H ASN A 30 3.808 9.827 -5.687 1.00 1.19 H new ATOM 0 HA ASN A 30 3.196 12.194 -4.084 1.00 1.67 H new ATOM 0 HB2 ASN A 30 3.291 10.197 -2.501 1.00 2.93 H new ATOM 0 HB3 ASN A 30 4.983 10.057 -2.938 1.00 2.93 H new ATOM 0 HD21 ASN A 30 3.667 13.150 -0.530 1.00 4.58 H new ATOM 0 HD22 ASN A 30 2.533 12.122 -1.413 1.00 4.58 H new ATOM 171 N ASP A 31 5.988 12.514 -4.331 1.00 1.45 N ATOM 172 CA ASP A 31 7.180 13.029 -5.002 1.00 1.18 C ATOM 173 C ASP A 31 8.027 11.905 -5.604 1.00 0.94 C ATOM 174 O ASP A 31 7.963 10.759 -5.149 1.00 1.28 O ATOM 175 CB ASP A 31 8.039 13.867 -4.054 1.00 1.61 C ATOM 176 CG ASP A 31 9.282 14.394 -4.744 1.00 1.74 C ATOM 177 OD1 ASP A 31 9.146 15.234 -5.659 1.00 2.03 O ATOM 178 OD2 ASP A 31 10.398 13.947 -4.404 1.00 2.29 O ATOM 0 H ASP A 31 5.904 12.779 -3.350 1.00 1.45 H new ATOM 0 HA ASP A 31 6.826 13.666 -5.813 1.00 1.18 H new ATOM 0 HB2 ASP A 31 7.452 14.703 -3.673 1.00 1.61 H new ATOM 0 HB3 ASP A 31 8.328 13.263 -3.194 1.00 1.61 H new ATOM 183 N LYS A 32 8.822 12.240 -6.614 1.00 0.79 N ATOM 184 CA LYS A 32 9.618 11.254 -7.337 1.00 0.82 C ATOM 185 C LYS A 32 10.498 10.459 -6.378 1.00 0.66 C ATOM 186 O LYS A 32 10.595 9.234 -6.484 1.00 0.68 O ATOM 187 CB LYS A 32 10.501 11.922 -8.403 1.00 1.24 C ATOM 188 CG LYS A 32 9.737 12.604 -9.538 1.00 1.77 C ATOM 189 CD LYS A 32 9.135 13.941 -9.124 1.00 2.22 C ATOM 190 CE LYS A 32 10.207 14.964 -8.773 1.00 3.17 C ATOM 191 NZ LYS A 32 9.630 16.183 -8.148 1.00 3.77 N ATOM 0 H LYS A 32 8.933 13.196 -6.953 1.00 0.79 H new ATOM 0 HA LYS A 32 8.922 10.577 -7.832 1.00 0.82 H new ATOM 0 HB2 LYS A 32 11.136 12.662 -7.916 1.00 1.24 H new ATOM 0 HB3 LYS A 32 11.161 11.168 -8.831 1.00 1.24 H new ATOM 0 HG2 LYS A 32 10.410 12.759 -10.381 1.00 1.77 H new ATOM 0 HG3 LYS A 32 8.941 11.944 -9.883 1.00 1.77 H new ATOM 0 HD2 LYS A 32 8.517 14.327 -9.935 1.00 2.22 H new ATOM 0 HD3 LYS A 32 8.480 13.793 -8.266 1.00 2.22 H new ATOM 0 HE2 LYS A 32 10.928 14.514 -8.091 1.00 3.17 H new ATOM 0 HE3 LYS A 32 10.752 15.242 -9.675 1.00 3.17 H new ATOM 0 HZ1 LYS A 32 10.233 17.002 -8.364 1.00 3.77 H new ATOM 0 HZ2 LYS A 32 8.675 16.347 -8.524 1.00 3.77 H new ATOM 0 HZ3 LYS A 32 9.578 16.054 -7.117 1.00 3.77 H new ATOM 205 N LYS A 33 11.105 11.160 -5.424 1.00 0.71 N ATOM 206 CA LYS A 33 12.035 10.538 -4.491 1.00 0.75 C ATOM 207 C LYS A 33 11.360 9.438 -3.685 1.00 0.68 C ATOM 208 O LYS A 33 11.943 8.377 -3.468 1.00 0.78 O ATOM 209 CB LYS A 33 12.630 11.582 -3.546 1.00 0.95 C ATOM 210 CG LYS A 33 13.505 12.616 -4.240 1.00 1.45 C ATOM 211 CD LYS A 33 14.708 11.984 -4.932 1.00 1.86 C ATOM 212 CE LYS A 33 15.600 11.229 -3.956 1.00 2.71 C ATOM 213 NZ LYS A 33 16.184 12.119 -2.919 1.00 3.23 N ATOM 0 H LYS A 33 10.968 12.160 -5.278 1.00 0.71 H new ATOM 0 HA LYS A 33 12.837 10.090 -5.078 1.00 0.75 H new ATOM 0 HB2 LYS A 33 11.818 12.095 -3.030 1.00 0.95 H new ATOM 0 HB3 LYS A 33 13.221 11.073 -2.784 1.00 0.95 H new ATOM 0 HG2 LYS A 33 12.910 13.159 -4.974 1.00 1.45 H new ATOM 0 HG3 LYS A 33 13.851 13.346 -3.508 1.00 1.45 H new ATOM 0 HD2 LYS A 33 14.362 11.301 -5.708 1.00 1.86 H new ATOM 0 HD3 LYS A 33 15.290 12.761 -5.427 1.00 1.86 H new ATOM 0 HE2 LYS A 33 15.021 10.443 -3.472 1.00 2.71 H new ATOM 0 HE3 LYS A 33 16.404 10.740 -4.506 1.00 2.71 H new ATOM 0 HZ1 LYS A 33 16.874 11.586 -2.352 1.00 3.23 H new ATOM 0 HZ2 LYS A 33 16.660 12.922 -3.378 1.00 3.23 H new ATOM 0 HZ3 LYS A 33 15.427 12.473 -2.300 1.00 3.23 H new ATOM 227 N LEU A 34 10.126 9.685 -3.262 1.00 0.61 N ATOM 228 CA LEU A 34 9.396 8.711 -2.466 1.00 0.64 C ATOM 229 C LEU A 34 8.998 7.509 -3.308 1.00 0.53 C ATOM 230 O LEU A 34 9.232 6.367 -2.912 1.00 0.62 O ATOM 231 CB LEU A 34 8.149 9.327 -1.832 1.00 0.70 C ATOM 232 CG LEU A 34 7.290 8.332 -1.044 1.00 0.82 C ATOM 233 CD1 LEU A 34 8.131 7.604 -0.013 1.00 1.39 C ATOM 234 CD2 LEU A 34 6.130 9.032 -0.365 1.00 1.38 C ATOM 0 H LEU A 34 9.614 10.546 -3.456 1.00 0.61 H new ATOM 0 HA LEU A 34 10.064 8.383 -1.669 1.00 0.64 H new ATOM 0 HB2 LEU A 34 8.454 10.134 -1.166 1.00 0.70 H new ATOM 0 HB3 LEU A 34 7.539 9.775 -2.617 1.00 0.70 H new ATOM 0 HG LEU A 34 6.888 7.606 -1.750 1.00 0.82 H new ATOM 0 HD11 LEU A 34 7.505 6.902 0.537 1.00 1.39 H new ATOM 0 HD12 LEU A 34 8.932 7.060 -0.515 1.00 1.39 H new ATOM 0 HD13 LEU A 34 8.562 8.326 0.681 1.00 1.39 H new ATOM 0 HD21 LEU A 34 5.537 8.302 0.187 1.00 1.38 H new ATOM 0 HD22 LEU A 34 6.512 9.785 0.324 1.00 1.38 H new ATOM 0 HD23 LEU A 34 5.505 9.513 -1.117 1.00 1.38 H new ATOM 246 N ILE A 35 8.402 7.773 -4.469 1.00 0.43 N ATOM 247 CA ILE A 35 7.954 6.704 -5.355 1.00 0.43 C ATOM 248 C ILE A 35 9.116 5.776 -5.688 1.00 0.46 C ATOM 249 O ILE A 35 8.991 4.554 -5.610 1.00 0.52 O ATOM 250 CB ILE A 35 7.347 7.251 -6.672 1.00 0.47 C ATOM 251 CG1 ILE A 35 6.128 8.141 -6.390 1.00 0.57 C ATOM 252 CG2 ILE A 35 6.959 6.101 -7.596 1.00 0.61 C ATOM 253 CD1 ILE A 35 5.506 8.721 -7.642 1.00 0.97 C ATOM 0 H ILE A 35 8.219 8.715 -4.816 1.00 0.43 H new ATOM 0 HA ILE A 35 7.175 6.156 -4.825 1.00 0.43 H new ATOM 0 HB ILE A 35 8.105 7.859 -7.166 1.00 0.47 H new ATOM 0 HG12 ILE A 35 5.377 7.558 -5.857 1.00 0.57 H new ATOM 0 HG13 ILE A 35 6.427 8.956 -5.730 1.00 0.57 H new ATOM 0 HG21 ILE A 35 6.534 6.501 -8.517 1.00 0.61 H new ATOM 0 HG22 ILE A 35 7.844 5.509 -7.832 1.00 0.61 H new ATOM 0 HG23 ILE A 35 6.221 5.469 -7.101 1.00 0.61 H new ATOM 0 HD11 ILE A 35 4.650 9.339 -7.370 1.00 0.97 H new ATOM 0 HD12 ILE A 35 6.243 9.331 -8.165 1.00 0.97 H new ATOM 0 HD13 ILE A 35 5.177 7.911 -8.293 1.00 0.97 H new ATOM 265 N GLU A 36 10.255 6.367 -6.028 1.00 0.51 N ATOM 266 CA GLU A 36 11.439 5.596 -6.373 1.00 0.62 C ATOM 267 C GLU A 36 11.995 4.854 -5.170 1.00 0.63 C ATOM 268 O GLU A 36 12.342 3.686 -5.279 1.00 0.64 O ATOM 269 CB GLU A 36 12.518 6.494 -6.965 1.00 0.79 C ATOM 270 CG GLU A 36 12.162 7.045 -8.335 1.00 0.87 C ATOM 271 CD GLU A 36 11.977 5.947 -9.365 1.00 1.64 C ATOM 272 OE1 GLU A 36 12.992 5.382 -9.825 1.00 2.22 O ATOM 273 OE2 GLU A 36 10.821 5.647 -9.729 1.00 2.42 O ATOM 0 H GLU A 36 10.382 7.378 -6.072 1.00 0.51 H new ATOM 0 HA GLU A 36 11.136 4.861 -7.119 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.702 7.325 -6.284 1.00 0.79 H new ATOM 0 HB3 GLU A 36 13.448 5.931 -7.039 1.00 0.79 H new ATOM 0 HG2 GLU A 36 11.245 7.630 -8.262 1.00 0.87 H new ATOM 0 HG3 GLU A 36 12.948 7.723 -8.667 1.00 0.87 H new ATOM 280 N GLU A 37 12.077 5.519 -4.023 1.00 0.68 N ATOM 281 CA GLU A 37 12.674 4.897 -2.848 1.00 0.77 C ATOM 282 C GLU A 37 11.834 3.717 -2.373 1.00 0.71 C ATOM 283 O GLU A 37 12.366 2.634 -2.112 1.00 0.79 O ATOM 284 CB GLU A 37 12.867 5.910 -1.719 1.00 0.91 C ATOM 285 CG GLU A 37 13.565 5.324 -0.502 1.00 1.41 C ATOM 286 CD GLU A 37 14.281 6.371 0.318 1.00 1.84 C ATOM 287 OE1 GLU A 37 15.421 6.737 -0.052 1.00 2.30 O ATOM 288 OE2 GLU A 37 13.718 6.840 1.330 1.00 2.53 O ATOM 0 H GLU A 37 11.744 6.473 -3.882 1.00 0.68 H new ATOM 0 HA GLU A 37 13.658 4.525 -3.135 1.00 0.77 H new ATOM 0 HB2 GLU A 37 13.448 6.754 -2.092 1.00 0.91 H new ATOM 0 HB3 GLU A 37 11.894 6.300 -1.419 1.00 0.91 H new ATOM 0 HG2 GLU A 37 12.831 4.817 0.124 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.282 4.570 -0.827 1.00 1.41 H new ATOM 295 N ALA A 38 10.521 3.921 -2.284 1.00 0.61 N ATOM 296 CA ALA A 38 9.606 2.845 -1.927 1.00 0.60 C ATOM 297 C ALA A 38 9.726 1.695 -2.922 1.00 0.54 C ATOM 298 O ALA A 38 9.654 0.520 -2.557 1.00 0.59 O ATOM 299 CB ALA A 38 8.176 3.364 -1.886 1.00 0.60 C ATOM 0 H ALA A 38 10.070 4.820 -2.454 1.00 0.61 H new ATOM 0 HA ALA A 38 9.871 2.474 -0.937 1.00 0.60 H new ATOM 0 HB1 ALA A 38 7.501 2.551 -1.618 1.00 0.60 H new ATOM 0 HB2 ALA A 38 8.099 4.159 -1.144 1.00 0.60 H new ATOM 0 HB3 ALA A 38 7.902 3.754 -2.866 1.00 0.60 H new ATOM 305 N ARG A 39 9.936 2.053 -4.181 1.00 0.49 N ATOM 306 CA ARG A 39 10.089 1.081 -5.251 1.00 0.53 C ATOM 307 C ARG A 39 11.412 0.328 -5.122 1.00 0.56 C ATOM 308 O ARG A 39 11.455 -0.890 -5.275 1.00 0.59 O ATOM 309 CB ARG A 39 10.005 1.789 -6.602 1.00 0.60 C ATOM 310 CG ARG A 39 10.069 0.862 -7.798 1.00 0.88 C ATOM 311 CD ARG A 39 9.982 1.643 -9.095 1.00 0.95 C ATOM 312 NE ARG A 39 10.064 0.776 -10.265 1.00 1.37 N ATOM 313 CZ ARG A 39 10.542 1.164 -11.446 1.00 1.97 C ATOM 314 NH1 ARG A 39 10.970 2.412 -11.621 1.00 2.23 N ATOM 315 NH2 ARG A 39 10.585 0.306 -12.456 1.00 2.73 N ATOM 0 H ARG A 39 10.005 3.023 -4.488 1.00 0.49 H new ATOM 0 HA ARG A 39 9.283 0.351 -5.178 1.00 0.53 H new ATOM 0 HB2 ARG A 39 9.074 2.354 -6.645 1.00 0.60 H new ATOM 0 HB3 ARG A 39 10.819 2.510 -6.672 1.00 0.60 H new ATOM 0 HG2 ARG A 39 10.999 0.294 -7.773 1.00 0.88 H new ATOM 0 HG3 ARG A 39 9.253 0.141 -7.748 1.00 0.88 H new ATOM 0 HD2 ARG A 39 9.044 2.198 -9.121 1.00 0.95 H new ATOM 0 HD3 ARG A 39 10.788 2.376 -9.131 1.00 0.95 H new ATOM 0 HE ARG A 39 9.736 -0.185 -10.173 1.00 1.37 H new ATOM 0 HH11 ARG A 39 10.933 3.077 -10.848 1.00 2.23 H new ATOM 0 HH12 ARG A 39 11.335 2.704 -12.528 1.00 2.23 H new ATOM 0 HH21 ARG A 39 10.252 -0.650 -12.328 1.00 2.73 H new ATOM 0 HH22 ARG A 39 10.951 0.602 -13.361 1.00 2.73 H new ATOM 329 N LYS A 40 12.484 1.059 -4.830 1.00 0.59 N ATOM 330 CA LYS A 40 13.805 0.459 -4.665 1.00 0.67 C ATOM 331 C LYS A 40 13.794 -0.564 -3.539 1.00 0.65 C ATOM 332 O LYS A 40 14.365 -1.650 -3.668 1.00 0.71 O ATOM 333 CB LYS A 40 14.860 1.529 -4.380 1.00 0.78 C ATOM 334 CG LYS A 40 15.112 2.465 -5.551 1.00 0.83 C ATOM 335 CD LYS A 40 16.229 3.448 -5.246 1.00 1.29 C ATOM 336 CE LYS A 40 16.518 4.358 -6.429 1.00 1.82 C ATOM 337 NZ LYS A 40 16.939 3.594 -7.632 1.00 2.52 N ATOM 0 H LYS A 40 12.464 2.071 -4.702 1.00 0.59 H new ATOM 0 HA LYS A 40 14.060 -0.044 -5.598 1.00 0.67 H new ATOM 0 HB2 LYS A 40 14.545 2.117 -3.518 1.00 0.78 H new ATOM 0 HB3 LYS A 40 15.796 1.041 -4.108 1.00 0.78 H new ATOM 0 HG2 LYS A 40 15.370 1.882 -6.435 1.00 0.83 H new ATOM 0 HG3 LYS A 40 14.198 3.012 -5.785 1.00 0.83 H new ATOM 0 HD2 LYS A 40 15.956 4.052 -4.381 1.00 1.29 H new ATOM 0 HD3 LYS A 40 17.133 2.900 -4.979 1.00 1.29 H new ATOM 0 HE2 LYS A 40 15.627 4.941 -6.664 1.00 1.82 H new ATOM 0 HE3 LYS A 40 17.300 5.067 -6.158 1.00 1.82 H new ATOM 0 HZ1 LYS A 40 17.350 4.246 -8.331 1.00 2.52 H new ATOM 0 HZ2 LYS A 40 17.649 2.884 -7.361 1.00 2.52 H new ATOM 0 HZ3 LYS A 40 16.113 3.117 -8.047 1.00 2.52 H new ATOM 351 N MET A 41 13.138 -0.215 -2.436 1.00 0.64 N ATOM 352 CA MET A 41 12.999 -1.132 -1.313 1.00 0.68 C ATOM 353 C MET A 41 12.242 -2.379 -1.741 1.00 0.63 C ATOM 354 O MET A 41 12.629 -3.498 -1.407 1.00 0.67 O ATOM 355 CB MET A 41 12.274 -0.471 -0.142 1.00 0.82 C ATOM 356 CG MET A 41 13.043 0.674 0.491 1.00 0.99 C ATOM 357 SD MET A 41 12.248 1.295 1.982 1.00 1.64 S ATOM 358 CE MET A 41 12.351 -0.146 3.045 1.00 2.61 C ATOM 0 H MET A 41 12.696 0.694 -2.298 1.00 0.64 H new ATOM 0 HA MET A 41 14.001 -1.409 -0.986 1.00 0.68 H new ATOM 0 HB2 MET A 41 11.309 -0.100 -0.488 1.00 0.82 H new ATOM 0 HB3 MET A 41 12.072 -1.224 0.619 1.00 0.82 H new ATOM 0 HG2 MET A 41 14.052 0.340 0.733 1.00 0.99 H new ATOM 0 HG3 MET A 41 13.140 1.485 -0.230 1.00 0.99 H new ATOM 0 HE1 MET A 41 12.559 0.170 4.067 1.00 2.61 H new ATOM 0 HE2 MET A 41 11.405 -0.687 3.018 1.00 2.61 H new ATOM 0 HE3 MET A 41 13.152 -0.798 2.697 1.00 2.61 H new ATOM 368 N ALA A 42 11.170 -2.174 -2.497 1.00 0.60 N ATOM 369 CA ALA A 42 10.372 -3.277 -3.010 1.00 0.64 C ATOM 370 C ALA A 42 11.208 -4.178 -3.910 1.00 0.61 C ATOM 371 O ALA A 42 11.166 -5.395 -3.786 1.00 0.66 O ATOM 372 CB ALA A 42 9.160 -2.752 -3.759 1.00 0.75 C ATOM 0 H ALA A 42 10.834 -1.250 -2.768 1.00 0.60 H new ATOM 0 HA ALA A 42 10.026 -3.870 -2.163 1.00 0.64 H new ATOM 0 HB1 ALA A 42 8.574 -3.590 -4.136 1.00 0.75 H new ATOM 0 HB2 ALA A 42 8.546 -2.154 -3.085 1.00 0.75 H new ATOM 0 HB3 ALA A 42 9.488 -2.134 -4.595 1.00 0.75 H new ATOM 378 N GLU A 43 11.979 -3.569 -4.800 1.00 0.62 N ATOM 379 CA GLU A 43 12.859 -4.314 -5.695 1.00 0.75 C ATOM 380 C GLU A 43 13.880 -5.124 -4.904 1.00 0.71 C ATOM 381 O GLU A 43 14.210 -6.254 -5.265 1.00 0.79 O ATOM 382 CB GLU A 43 13.582 -3.356 -6.643 1.00 0.93 C ATOM 383 CG GLU A 43 12.656 -2.630 -7.603 1.00 1.33 C ATOM 384 CD GLU A 43 12.000 -3.566 -8.594 1.00 1.88 C ATOM 385 OE1 GLU A 43 10.862 -4.012 -8.341 1.00 2.39 O ATOM 386 OE2 GLU A 43 12.615 -3.853 -9.642 1.00 2.57 O ATOM 0 H GLU A 43 12.014 -2.557 -4.923 1.00 0.62 H new ATOM 0 HA GLU A 43 12.246 -5.002 -6.277 1.00 0.75 H new ATOM 0 HB2 GLU A 43 14.129 -2.620 -6.054 1.00 0.93 H new ATOM 0 HB3 GLU A 43 14.320 -3.916 -7.218 1.00 0.93 H new ATOM 0 HG2 GLU A 43 11.885 -2.109 -7.035 1.00 1.33 H new ATOM 0 HG3 GLU A 43 13.221 -1.871 -8.144 1.00 1.33 H new ATOM 393 N LYS A 44 14.362 -4.543 -3.816 1.00 0.68 N ATOM 394 CA LYS A 44 15.386 -5.171 -2.993 1.00 0.77 C ATOM 395 C LYS A 44 14.806 -6.314 -2.160 1.00 0.69 C ATOM 396 O LYS A 44 15.415 -7.374 -2.039 1.00 0.80 O ATOM 397 CB LYS A 44 16.031 -4.122 -2.083 1.00 0.92 C ATOM 398 CG LYS A 44 17.132 -4.669 -1.187 1.00 1.42 C ATOM 399 CD LYS A 44 17.761 -3.577 -0.334 1.00 1.99 C ATOM 400 CE LYS A 44 16.733 -2.889 0.553 1.00 2.49 C ATOM 401 NZ LYS A 44 17.362 -1.923 1.488 1.00 2.98 N ATOM 0 H LYS A 44 14.058 -3.629 -3.480 1.00 0.68 H new ATOM 0 HA LYS A 44 16.145 -5.594 -3.651 1.00 0.77 H new ATOM 0 HB2 LYS A 44 16.443 -3.325 -2.701 1.00 0.92 H new ATOM 0 HB3 LYS A 44 15.258 -3.674 -1.458 1.00 0.92 H new ATOM 0 HG2 LYS A 44 16.722 -5.445 -0.540 1.00 1.42 H new ATOM 0 HG3 LYS A 44 17.901 -5.139 -1.801 1.00 1.42 H new ATOM 0 HD2 LYS A 44 18.546 -4.008 0.287 1.00 1.99 H new ATOM 0 HD3 LYS A 44 18.235 -2.839 -0.981 1.00 1.99 H new ATOM 0 HE2 LYS A 44 16.006 -2.369 -0.071 1.00 2.49 H new ATOM 0 HE3 LYS A 44 16.185 -3.640 1.122 1.00 2.49 H new ATOM 0 HZ1 LYS A 44 16.627 -1.477 2.073 1.00 2.98 H new ATOM 0 HZ2 LYS A 44 18.037 -2.423 2.101 1.00 2.98 H new ATOM 0 HZ3 LYS A 44 17.864 -1.191 0.945 1.00 2.98 H new ATOM 415 N ALA A 45 13.625 -6.098 -1.596 1.00 0.61 N ATOM 416 CA ALA A 45 13.007 -7.089 -0.719 1.00 0.64 C ATOM 417 C ALA A 45 12.051 -8.005 -1.482 1.00 0.60 C ATOM 418 O ALA A 45 11.359 -8.829 -0.884 1.00 0.71 O ATOM 419 CB ALA A 45 12.287 -6.394 0.426 1.00 0.76 C ATOM 0 H ALA A 45 13.076 -5.249 -1.728 1.00 0.61 H new ATOM 0 HA ALA A 45 13.799 -7.717 -0.312 1.00 0.64 H new ATOM 0 HB1 ALA A 45 11.829 -7.141 1.075 1.00 0.76 H new ATOM 0 HB2 ALA A 45 13.001 -5.804 1.000 1.00 0.76 H new ATOM 0 HB3 ALA A 45 11.514 -5.739 0.025 1.00 0.76 H new ATOM 425 N ASN A 46 12.027 -7.851 -2.806 1.00 0.56 N ATOM 426 CA ASN A 46 11.212 -8.690 -3.693 1.00 0.65 C ATOM 427 C ASN A 46 9.722 -8.494 -3.425 1.00 0.62 C ATOM 428 O ASN A 46 8.942 -9.451 -3.433 1.00 0.80 O ATOM 429 CB ASN A 46 11.583 -10.173 -3.547 1.00 0.83 C ATOM 430 CG ASN A 46 13.005 -10.480 -3.979 1.00 1.46 C ATOM 431 OD1 ASN A 46 13.901 -9.642 -3.881 1.00 2.11 O ATOM 432 ND2 ASN A 46 13.224 -11.691 -4.463 1.00 2.22 N ATOM 0 H ASN A 46 12.571 -7.142 -3.297 1.00 0.56 H new ATOM 0 HA ASN A 46 11.422 -8.379 -4.716 1.00 0.65 H new ATOM 0 HB2 ASN A 46 11.454 -10.472 -2.507 1.00 0.83 H new ATOM 0 HB3 ASN A 46 10.893 -10.773 -4.140 1.00 0.83 H new ATOM 0 HD21 ASN A 46 14.160 -11.956 -4.770 1.00 2.22 H new ATOM 0 HD22 ASN A 46 12.457 -12.360 -4.530 1.00 2.22 H new ATOM 439 N LEU A 47 9.332 -7.247 -3.207 1.00 0.48 N ATOM 440 CA LEU A 47 7.948 -6.910 -2.902 1.00 0.48 C ATOM 441 C LEU A 47 7.219 -6.489 -4.173 1.00 0.45 C ATOM 442 O LEU A 47 7.829 -5.952 -5.102 1.00 0.53 O ATOM 443 CB LEU A 47 7.879 -5.765 -1.883 1.00 0.51 C ATOM 444 CG LEU A 47 8.828 -5.875 -0.686 1.00 0.58 C ATOM 445 CD1 LEU A 47 8.619 -4.707 0.262 1.00 1.10 C ATOM 446 CD2 LEU A 47 8.632 -7.192 0.048 1.00 1.11 C ATOM 0 H LEU A 47 9.961 -6.444 -3.236 1.00 0.48 H new ATOM 0 HA LEU A 47 7.471 -7.794 -2.479 1.00 0.48 H new ATOM 0 HB2 LEU A 47 8.088 -4.830 -2.402 1.00 0.51 H new ATOM 0 HB3 LEU A 47 6.858 -5.700 -1.507 1.00 0.51 H new ATOM 0 HG LEU A 47 9.851 -5.846 -1.062 1.00 0.58 H new ATOM 0 HD11 LEU A 47 9.300 -4.799 1.108 1.00 1.10 H new ATOM 0 HD12 LEU A 47 8.816 -3.772 -0.263 1.00 1.10 H new ATOM 0 HD13 LEU A 47 7.590 -4.711 0.623 1.00 1.10 H new ATOM 0 HD21 LEU A 47 9.319 -7.243 0.893 1.00 1.11 H new ATOM 0 HD22 LEU A 47 7.606 -7.258 0.410 1.00 1.11 H new ATOM 0 HD23 LEU A 47 8.831 -8.021 -0.632 1.00 1.11 H new ATOM 458 N GLU A 48 5.917 -6.727 -4.209 1.00 0.43 N ATOM 459 CA GLU A 48 5.098 -6.337 -5.343 1.00 0.47 C ATOM 460 C GLU A 48 4.732 -4.861 -5.227 1.00 0.45 C ATOM 461 O GLU A 48 3.810 -4.501 -4.495 1.00 0.49 O ATOM 462 CB GLU A 48 3.827 -7.195 -5.384 1.00 0.58 C ATOM 463 CG GLU A 48 2.956 -6.967 -6.609 1.00 0.80 C ATOM 464 CD GLU A 48 3.534 -7.591 -7.860 1.00 1.27 C ATOM 465 OE1 GLU A 48 4.456 -7.003 -8.462 1.00 2.13 O ATOM 466 OE2 GLU A 48 3.066 -8.683 -8.249 1.00 1.74 O ATOM 0 H GLU A 48 5.403 -7.191 -3.460 1.00 0.43 H new ATOM 0 HA GLU A 48 5.658 -6.492 -6.265 1.00 0.47 H new ATOM 0 HB2 GLU A 48 4.111 -8.247 -5.346 1.00 0.58 H new ATOM 0 HB3 GLU A 48 3.237 -6.992 -4.490 1.00 0.58 H new ATOM 0 HG2 GLU A 48 1.964 -7.380 -6.427 1.00 0.80 H new ATOM 0 HG3 GLU A 48 2.831 -5.896 -6.767 1.00 0.80 H new ATOM 473 N LEU A 49 5.461 -4.010 -5.935 1.00 0.46 N ATOM 474 CA LEU A 49 5.210 -2.577 -5.881 1.00 0.50 C ATOM 475 C LEU A 49 4.210 -2.195 -6.960 1.00 0.45 C ATOM 476 O LEU A 49 4.498 -2.287 -8.154 1.00 0.54 O ATOM 477 CB LEU A 49 6.518 -1.789 -6.061 1.00 0.67 C ATOM 478 CG LEU A 49 6.531 -0.350 -5.504 1.00 0.75 C ATOM 479 CD1 LEU A 49 5.522 0.541 -6.212 1.00 1.49 C ATOM 480 CD2 LEU A 49 6.273 -0.350 -4.006 1.00 0.99 C ATOM 0 H LEU A 49 6.227 -4.285 -6.550 1.00 0.46 H new ATOM 0 HA LEU A 49 4.797 -2.328 -4.904 1.00 0.50 H new ATOM 0 HB2 LEU A 49 7.323 -2.348 -5.584 1.00 0.67 H new ATOM 0 HB3 LEU A 49 6.748 -1.746 -7.126 1.00 0.67 H new ATOM 0 HG LEU A 49 7.524 0.059 -5.692 1.00 0.75 H new ATOM 0 HD11 LEU A 49 5.564 1.545 -5.790 1.00 1.49 H new ATOM 0 HD12 LEU A 49 5.758 0.585 -7.275 1.00 1.49 H new ATOM 0 HD13 LEU A 49 4.520 0.133 -6.079 1.00 1.49 H new ATOM 0 HD21 LEU A 49 6.287 0.675 -3.634 1.00 0.99 H new ATOM 0 HD22 LEU A 49 5.299 -0.796 -3.805 1.00 0.99 H new ATOM 0 HD23 LEU A 49 7.048 -0.929 -3.503 1.00 0.99 H new ATOM 492 N ILE A 50 3.039 -1.773 -6.529 1.00 0.39 N ATOM 493 CA ILE A 50 1.982 -1.393 -7.440 1.00 0.43 C ATOM 494 C ILE A 50 1.563 0.052 -7.188 1.00 0.40 C ATOM 495 O ILE A 50 1.270 0.438 -6.057 1.00 0.37 O ATOM 496 CB ILE A 50 0.760 -2.325 -7.287 1.00 0.50 C ATOM 497 CG1 ILE A 50 1.118 -3.767 -7.675 1.00 0.60 C ATOM 498 CG2 ILE A 50 -0.410 -1.822 -8.111 1.00 0.62 C ATOM 499 CD1 ILE A 50 1.555 -3.929 -9.118 1.00 1.31 C ATOM 0 H ILE A 50 2.795 -1.684 -5.543 1.00 0.39 H new ATOM 0 HA ILE A 50 2.363 -1.485 -8.457 1.00 0.43 H new ATOM 0 HB ILE A 50 0.463 -2.320 -6.238 1.00 0.50 H new ATOM 0 HG12 ILE A 50 1.917 -4.120 -7.023 1.00 0.60 H new ATOM 0 HG13 ILE A 50 0.254 -4.406 -7.494 1.00 0.60 H new ATOM 0 HG21 ILE A 50 -1.258 -2.495 -7.987 1.00 0.62 H new ATOM 0 HG22 ILE A 50 -0.688 -0.822 -7.776 1.00 0.62 H new ATOM 0 HG23 ILE A 50 -0.126 -1.787 -9.163 1.00 0.62 H new ATOM 0 HD11 ILE A 50 1.790 -4.976 -9.312 1.00 1.31 H new ATOM 0 HD12 ILE A 50 0.750 -3.609 -9.780 1.00 1.31 H new ATOM 0 HD13 ILE A 50 2.439 -3.319 -9.301 1.00 1.31 H new ATOM 511 N THR A 51 1.560 0.852 -8.237 1.00 0.48 N ATOM 512 CA THR A 51 1.177 2.247 -8.129 1.00 0.52 C ATOM 513 C THR A 51 -0.148 2.501 -8.836 1.00 0.56 C ATOM 514 O THR A 51 -0.186 2.625 -10.061 1.00 0.66 O ATOM 515 CB THR A 51 2.257 3.165 -8.736 1.00 0.63 C ATOM 516 OG1 THR A 51 2.641 2.679 -10.032 1.00 1.19 O ATOM 517 CG2 THR A 51 3.480 3.241 -7.837 1.00 1.20 C ATOM 0 H THR A 51 1.820 0.558 -9.178 1.00 0.48 H new ATOM 0 HA THR A 51 1.069 2.474 -7.068 1.00 0.52 H new ATOM 0 HB THR A 51 1.836 4.166 -8.830 1.00 0.63 H new ATOM 0 HG1 THR A 51 1.841 2.543 -10.581 1.00 1.19 H new ATOM 0 HG21 THR A 51 4.225 3.895 -8.290 1.00 1.20 H new ATOM 0 HG22 THR A 51 3.192 3.639 -6.864 1.00 1.20 H new ATOM 0 HG23 THR A 51 3.902 2.244 -7.711 1.00 1.20 H new ATOM 525 N VAL A 52 -1.239 2.561 -8.078 1.00 0.68 N ATOM 526 CA VAL A 52 -2.534 2.889 -8.666 1.00 0.78 C ATOM 527 C VAL A 52 -3.189 4.042 -7.902 1.00 0.85 C ATOM 528 O VAL A 52 -4.038 3.834 -7.033 1.00 1.66 O ATOM 529 CB VAL A 52 -3.470 1.658 -8.635 1.00 1.35 C ATOM 530 CG1 VAL A 52 -4.801 1.961 -9.294 1.00 1.77 C ATOM 531 CG2 VAL A 52 -2.810 0.462 -9.298 1.00 1.95 C ATOM 0 H VAL A 52 -1.254 2.390 -7.073 1.00 0.68 H new ATOM 0 HA VAL A 52 -2.370 3.189 -9.701 1.00 0.78 H new ATOM 0 HB VAL A 52 -3.660 1.414 -7.590 1.00 1.35 H new ATOM 0 HG11 VAL A 52 -5.436 1.076 -9.256 1.00 1.77 H new ATOM 0 HG12 VAL A 52 -5.289 2.781 -8.767 1.00 1.77 H new ATOM 0 HG13 VAL A 52 -4.636 2.245 -10.333 1.00 1.77 H new ATOM 0 HG21 VAL A 52 -3.487 -0.392 -9.264 1.00 1.95 H new ATOM 0 HG22 VAL A 52 -2.580 0.702 -10.336 1.00 1.95 H new ATOM 0 HG23 VAL A 52 -1.889 0.216 -8.770 1.00 1.95 H new ATOM 541 N PRO A 53 -2.768 5.276 -8.201 1.00 0.73 N ATOM 542 CA PRO A 53 -3.366 6.480 -7.647 1.00 0.90 C ATOM 543 C PRO A 53 -4.495 7.078 -8.491 1.00 0.88 C ATOM 544 O PRO A 53 -4.234 7.666 -9.544 1.00 1.64 O ATOM 545 CB PRO A 53 -2.171 7.424 -7.600 1.00 1.83 C ATOM 546 CG PRO A 53 -1.315 7.032 -8.763 1.00 2.29 C ATOM 547 CD PRO A 53 -1.658 5.604 -9.110 1.00 1.49 C ATOM 0 HA PRO A 53 -3.852 6.287 -6.691 1.00 0.90 H new ATOM 0 HB2 PRO A 53 -2.488 8.464 -7.677 1.00 1.83 H new ATOM 0 HB3 PRO A 53 -1.628 7.325 -6.660 1.00 1.83 H new ATOM 0 HG2 PRO A 53 -1.498 7.689 -9.613 1.00 2.29 H new ATOM 0 HG3 PRO A 53 -0.259 7.123 -8.511 1.00 2.29 H new ATOM 0 HD2 PRO A 53 -1.955 5.507 -10.154 1.00 1.49 H new ATOM 0 HD3 PRO A 53 -0.807 4.940 -8.957 1.00 1.49 H new ATOM 555 N GLY A 54 -5.741 6.938 -8.065 1.00 1.49 N ATOM 556 CA GLY A 54 -6.752 7.863 -8.547 1.00 2.14 C ATOM 557 C GLY A 54 -7.472 8.512 -7.388 1.00 1.80 C ATOM 558 O GLY A 54 -7.561 9.736 -7.292 1.00 2.08 O ATOM 0 H GLY A 54 -6.067 6.224 -7.414 1.00 1.49 H new ATOM 0 HA2 GLY A 54 -6.286 8.628 -9.168 1.00 2.14 H new ATOM 0 HA3 GLY A 54 -7.467 7.333 -9.176 1.00 2.14 H new ATOM 562 N SER A 55 -7.977 7.668 -6.507 1.00 1.36 N ATOM 563 CA SER A 55 -8.303 8.032 -5.147 1.00 0.97 C ATOM 564 C SER A 55 -7.469 7.155 -4.215 1.00 0.64 C ATOM 565 O SER A 55 -6.786 6.248 -4.697 1.00 0.50 O ATOM 566 CB SER A 55 -9.805 7.870 -4.887 1.00 1.19 C ATOM 567 OG SER A 55 -10.556 8.836 -5.605 1.00 1.75 O ATOM 0 H SER A 55 -8.175 6.691 -6.725 1.00 1.36 H new ATOM 0 HA SER A 55 -8.069 9.081 -4.965 1.00 0.97 H new ATOM 0 HB2 SER A 55 -10.122 6.869 -5.179 1.00 1.19 H new ATOM 0 HB3 SER A 55 -10.005 7.969 -3.820 1.00 1.19 H new ATOM 0 HG SER A 55 -10.513 9.697 -5.138 1.00 1.75 H new ATOM 573 N PRO A 56 -7.497 7.369 -2.892 1.00 0.66 N ATOM 574 CA PRO A 56 -6.863 6.439 -1.955 1.00 0.58 C ATOM 575 C PRO A 56 -7.449 5.028 -2.076 1.00 0.53 C ATOM 576 O PRO A 56 -6.746 4.030 -1.918 1.00 0.62 O ATOM 577 CB PRO A 56 -7.179 7.037 -0.581 1.00 0.70 C ATOM 578 CG PRO A 56 -7.443 8.480 -0.846 1.00 1.09 C ATOM 579 CD PRO A 56 -8.084 8.534 -2.204 1.00 0.87 C ATOM 0 HA PRO A 56 -5.795 6.329 -2.142 1.00 0.58 H new ATOM 0 HB2 PRO A 56 -8.044 6.553 -0.128 1.00 0.70 H new ATOM 0 HB3 PRO A 56 -6.345 6.907 0.108 1.00 0.70 H new ATOM 0 HG2 PRO A 56 -8.100 8.904 -0.086 1.00 1.09 H new ATOM 0 HG3 PRO A 56 -6.519 9.057 -0.826 1.00 1.09 H new ATOM 0 HD2 PRO A 56 -9.170 8.461 -2.141 1.00 0.87 H new ATOM 0 HD3 PRO A 56 -7.856 9.466 -2.722 1.00 0.87 H new ATOM 587 N GLU A 57 -8.739 4.961 -2.401 1.00 0.62 N ATOM 588 CA GLU A 57 -9.454 3.690 -2.474 1.00 0.80 C ATOM 589 C GLU A 57 -9.077 2.880 -3.711 1.00 0.67 C ATOM 590 O GLU A 57 -9.295 1.672 -3.748 1.00 0.67 O ATOM 591 CB GLU A 57 -10.977 3.918 -2.427 1.00 1.14 C ATOM 592 CG GLU A 57 -11.516 4.950 -3.421 1.00 1.80 C ATOM 593 CD GLU A 57 -11.468 4.498 -4.870 1.00 1.95 C ATOM 594 OE1 GLU A 57 -12.240 3.591 -5.247 1.00 2.06 O ATOM 595 OE2 GLU A 57 -10.674 5.063 -5.643 1.00 2.70 O ATOM 0 H GLU A 57 -9.312 5.777 -2.619 1.00 0.62 H new ATOM 0 HA GLU A 57 -9.154 3.108 -1.603 1.00 0.80 H new ATOM 0 HB2 GLU A 57 -11.476 2.966 -2.611 1.00 1.14 H new ATOM 0 HB3 GLU A 57 -11.250 4.232 -1.419 1.00 1.14 H new ATOM 0 HG2 GLU A 57 -12.547 5.187 -3.159 1.00 1.80 H new ATOM 0 HG3 GLU A 57 -10.942 5.871 -3.320 1.00 1.80 H new ATOM 602 N GLU A 58 -8.503 3.536 -4.711 1.00 0.61 N ATOM 603 CA GLU A 58 -8.202 2.873 -5.973 1.00 0.56 C ATOM 604 C GLU A 58 -7.127 1.817 -5.763 1.00 0.50 C ATOM 605 O GLU A 58 -7.198 0.715 -6.312 1.00 0.54 O ATOM 606 CB GLU A 58 -7.753 3.893 -7.021 1.00 0.62 C ATOM 607 CG GLU A 58 -7.915 3.404 -8.451 1.00 1.18 C ATOM 608 CD GLU A 58 -9.350 3.049 -8.783 1.00 1.57 C ATOM 609 OE1 GLU A 58 -10.115 3.946 -9.186 1.00 2.30 O ATOM 610 OE2 GLU A 58 -9.725 1.869 -8.633 1.00 2.01 O ATOM 0 H GLU A 58 -8.238 4.520 -4.674 1.00 0.61 H new ATOM 0 HA GLU A 58 -9.106 2.385 -6.337 1.00 0.56 H new ATOM 0 HB2 GLU A 58 -8.326 4.811 -6.892 1.00 0.62 H new ATOM 0 HB3 GLU A 58 -6.707 4.144 -6.847 1.00 0.62 H new ATOM 0 HG2 GLU A 58 -7.567 4.176 -9.137 1.00 1.18 H new ATOM 0 HG3 GLU A 58 -7.282 2.530 -8.607 1.00 1.18 H new ATOM 617 N ALA A 59 -6.145 2.156 -4.941 1.00 0.52 N ATOM 618 CA ALA A 59 -5.089 1.224 -4.591 1.00 0.59 C ATOM 619 C ALA A 59 -5.633 0.123 -3.689 1.00 0.50 C ATOM 620 O ALA A 59 -5.272 -1.041 -3.828 1.00 0.50 O ATOM 621 CB ALA A 59 -3.942 1.957 -3.912 1.00 0.78 C ATOM 0 H ALA A 59 -6.059 3.074 -4.504 1.00 0.52 H new ATOM 0 HA ALA A 59 -4.710 0.764 -5.504 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -3.157 1.246 -3.655 1.00 0.78 H new ATOM 0 HB2 ALA A 59 -3.541 2.711 -4.589 1.00 0.78 H new ATOM 0 HB3 ALA A 59 -4.305 2.440 -3.005 1.00 0.78 H new ATOM 627 N ILE A 60 -6.530 0.499 -2.784 1.00 0.51 N ATOM 628 CA ILE A 60 -7.113 -0.448 -1.835 1.00 0.52 C ATOM 629 C ILE A 60 -8.024 -1.451 -2.541 1.00 0.50 C ATOM 630 O ILE A 60 -8.098 -2.622 -2.165 1.00 0.52 O ATOM 631 CB ILE A 60 -7.929 0.280 -0.747 1.00 0.63 C ATOM 632 CG1 ILE A 60 -7.103 1.398 -0.116 1.00 0.79 C ATOM 633 CG2 ILE A 60 -8.382 -0.704 0.320 1.00 0.74 C ATOM 634 CD1 ILE A 60 -7.882 2.239 0.870 1.00 1.03 C ATOM 0 H ILE A 60 -6.871 1.455 -2.686 1.00 0.51 H new ATOM 0 HA ILE A 60 -6.282 -0.978 -1.370 1.00 0.52 H new ATOM 0 HB ILE A 60 -8.809 0.721 -1.214 1.00 0.63 H new ATOM 0 HG12 ILE A 60 -6.242 0.962 0.391 1.00 0.79 H new ATOM 0 HG13 ILE A 60 -6.715 2.043 -0.905 1.00 0.79 H new ATOM 0 HG21 ILE A 60 -8.957 -0.176 1.081 1.00 0.74 H new ATOM 0 HG22 ILE A 60 -9.005 -1.474 -0.136 1.00 0.74 H new ATOM 0 HG23 ILE A 60 -7.510 -1.168 0.781 1.00 0.74 H new ATOM 0 HD11 ILE A 60 -7.234 3.014 1.279 1.00 1.03 H new ATOM 0 HD12 ILE A 60 -8.728 2.704 0.363 1.00 1.03 H new ATOM 0 HD13 ILE A 60 -8.247 1.606 1.679 1.00 1.03 H new ATOM 646 N ARG A 61 -8.714 -0.985 -3.565 1.00 0.51 N ATOM 647 CA ARG A 61 -9.645 -1.820 -4.305 1.00 0.57 C ATOM 648 C ARG A 61 -8.889 -2.894 -5.082 1.00 0.55 C ATOM 649 O ARG A 61 -9.324 -4.042 -5.148 1.00 0.67 O ATOM 650 CB ARG A 61 -10.471 -0.949 -5.253 1.00 0.63 C ATOM 651 CG ARG A 61 -11.787 -1.564 -5.710 1.00 0.68 C ATOM 652 CD ARG A 61 -12.820 -1.613 -4.598 1.00 0.85 C ATOM 653 NE ARG A 61 -12.574 -2.690 -3.648 1.00 1.75 N ATOM 654 CZ ARG A 61 -13.149 -2.760 -2.453 1.00 2.33 C ATOM 655 NH1 ARG A 61 -13.982 -1.803 -2.058 1.00 2.28 N ATOM 656 NH2 ARG A 61 -12.904 -3.794 -1.665 1.00 3.35 N ATOM 0 H ARG A 61 -8.647 -0.026 -3.906 1.00 0.51 H new ATOM 0 HA ARG A 61 -10.318 -2.317 -3.606 1.00 0.57 H new ATOM 0 HB2 ARG A 61 -10.683 -0.001 -4.759 1.00 0.63 H new ATOM 0 HB3 ARG A 61 -9.868 -0.723 -6.133 1.00 0.63 H new ATOM 0 HG2 ARG A 61 -12.184 -0.987 -6.546 1.00 0.68 H new ATOM 0 HG3 ARG A 61 -11.605 -2.574 -6.078 1.00 0.68 H new ATOM 0 HD2 ARG A 61 -12.823 -0.660 -4.068 1.00 0.85 H new ATOM 0 HD3 ARG A 61 -13.811 -1.738 -5.034 1.00 0.85 H new ATOM 0 HE ARG A 61 -11.925 -3.430 -3.915 1.00 1.75 H new ATOM 0 HH11 ARG A 61 -14.180 -1.014 -2.673 1.00 2.28 H new ATOM 0 HH12 ARG A 61 -14.423 -1.858 -1.140 1.00 2.28 H new ATOM 0 HH21 ARG A 61 -12.275 -4.534 -1.976 1.00 3.35 H new ATOM 0 HH22 ARG A 61 -13.344 -3.851 -0.747 1.00 3.35 H new ATOM 670 N LEU A 62 -7.737 -2.524 -5.640 1.00 0.47 N ATOM 671 CA LEU A 62 -6.904 -3.482 -6.354 1.00 0.50 C ATOM 672 C LEU A 62 -6.139 -4.334 -5.350 1.00 0.43 C ATOM 673 O LEU A 62 -5.773 -5.475 -5.633 1.00 0.45 O ATOM 674 CB LEU A 62 -5.927 -2.767 -7.293 1.00 0.59 C ATOM 675 CG LEU A 62 -4.988 -3.687 -8.083 1.00 0.69 C ATOM 676 CD1 LEU A 62 -5.771 -4.572 -9.042 1.00 1.22 C ATOM 677 CD2 LEU A 62 -3.955 -2.873 -8.839 1.00 1.03 C ATOM 0 H LEU A 62 -7.364 -1.575 -5.610 1.00 0.47 H new ATOM 0 HA LEU A 62 -7.546 -4.121 -6.961 1.00 0.50 H new ATOM 0 HB2 LEU A 62 -6.501 -2.167 -7.999 1.00 0.59 H new ATOM 0 HB3 LEU A 62 -5.323 -2.076 -6.705 1.00 0.59 H new ATOM 0 HG LEU A 62 -4.471 -4.331 -7.371 1.00 0.69 H new ATOM 0 HD11 LEU A 62 -5.081 -5.214 -9.590 1.00 1.22 H new ATOM 0 HD12 LEU A 62 -6.471 -5.188 -8.479 1.00 1.22 H new ATOM 0 HD13 LEU A 62 -6.322 -3.948 -9.746 1.00 1.22 H new ATOM 0 HD21 LEU A 62 -3.298 -3.543 -9.393 1.00 1.03 H new ATOM 0 HD22 LEU A 62 -4.459 -2.202 -9.534 1.00 1.03 H new ATOM 0 HD23 LEU A 62 -3.365 -2.288 -8.133 1.00 1.03 H new ATOM 689 N ALA A 63 -5.914 -3.763 -4.173 1.00 0.41 N ATOM 690 CA ALA A 63 -5.263 -4.468 -3.080 1.00 0.42 C ATOM 691 C ALA A 63 -6.004 -5.758 -2.760 1.00 0.46 C ATOM 692 O ALA A 63 -5.388 -6.807 -2.566 1.00 0.49 O ATOM 693 CB ALA A 63 -5.191 -3.576 -1.850 1.00 0.49 C ATOM 0 H ALA A 63 -6.177 -2.803 -3.952 1.00 0.41 H new ATOM 0 HA ALA A 63 -4.248 -4.723 -3.386 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.702 -4.114 -1.038 1.00 0.49 H new ATOM 0 HB2 ALA A 63 -4.621 -2.677 -2.085 1.00 0.49 H new ATOM 0 HB3 ALA A 63 -6.199 -3.296 -1.544 1.00 0.49 H new ATOM 699 N GLN A 64 -7.333 -5.680 -2.726 1.00 0.52 N ATOM 700 CA GLN A 64 -8.151 -6.858 -2.486 1.00 0.64 C ATOM 701 C GLN A 64 -7.997 -7.865 -3.621 1.00 0.62 C ATOM 702 O GLN A 64 -7.889 -9.062 -3.379 1.00 0.69 O ATOM 703 CB GLN A 64 -9.627 -6.491 -2.303 1.00 0.77 C ATOM 704 CG GLN A 64 -10.547 -7.705 -2.350 1.00 1.11 C ATOM 705 CD GLN A 64 -11.984 -7.393 -1.987 1.00 1.39 C ATOM 706 OE1 GLN A 64 -12.180 -6.503 -1.028 1.00 1.95 O flip ATOM 707 NE2 GLN A 64 -12.913 -7.980 -2.535 1.00 2.12 N flip ATOM 0 H GLN A 64 -7.860 -4.817 -2.861 1.00 0.52 H new ATOM 0 HA GLN A 64 -7.800 -7.314 -1.561 1.00 0.64 H new ATOM 0 HB2 GLN A 64 -9.754 -5.981 -1.348 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -9.921 -5.787 -3.082 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -10.519 -8.133 -3.352 1.00 1.11 H new ATOM 0 HG3 GLN A 64 -10.166 -8.465 -1.668 1.00 1.11 H new ATOM 0 HE21 GLN A 64 -12.723 -8.660 -3.271 1.00 2.12 H new ATOM 0 HE22 GLN A 64 -13.874 -7.787 -2.254 1.00 2.12 H new ATOM 716 N GLU A 65 -7.974 -7.369 -4.854 1.00 0.58 N ATOM 717 CA GLU A 65 -7.804 -8.222 -6.027 1.00 0.63 C ATOM 718 C GLU A 65 -6.511 -9.018 -5.935 1.00 0.55 C ATOM 719 O GLU A 65 -6.517 -10.239 -6.061 1.00 0.62 O ATOM 720 CB GLU A 65 -7.805 -7.383 -7.304 1.00 0.69 C ATOM 721 CG GLU A 65 -9.141 -6.726 -7.611 1.00 1.24 C ATOM 722 CD GLU A 65 -9.166 -6.092 -8.987 1.00 1.50 C ATOM 723 OE1 GLU A 65 -9.043 -6.833 -9.985 1.00 2.21 O ATOM 724 OE2 GLU A 65 -9.320 -4.858 -9.080 1.00 1.95 O ATOM 0 H GLU A 65 -8.071 -6.376 -5.068 1.00 0.58 H new ATOM 0 HA GLU A 65 -8.641 -8.919 -6.059 1.00 0.63 H new ATOM 0 HB2 GLU A 65 -7.042 -6.609 -7.219 1.00 0.69 H new ATOM 0 HB3 GLU A 65 -7.522 -8.018 -8.144 1.00 0.69 H new ATOM 0 HG2 GLU A 65 -9.934 -7.470 -7.542 1.00 1.24 H new ATOM 0 HG3 GLU A 65 -9.351 -5.966 -6.859 1.00 1.24 H new ATOM 731 N ILE A 66 -5.411 -8.323 -5.686 1.00 0.46 N ATOM 732 CA ILE A 66 -4.107 -8.967 -5.603 1.00 0.46 C ATOM 733 C ILE A 66 -4.053 -9.947 -4.428 1.00 0.43 C ATOM 734 O ILE A 66 -3.464 -11.021 -4.531 1.00 0.48 O ATOM 735 CB ILE A 66 -2.974 -7.924 -5.474 1.00 0.54 C ATOM 736 CG1 ILE A 66 -3.073 -6.900 -6.609 1.00 0.66 C ATOM 737 CG2 ILE A 66 -1.616 -8.610 -5.498 1.00 0.64 C ATOM 738 CD1 ILE A 66 -2.015 -5.818 -6.551 1.00 0.53 C ATOM 0 H ILE A 66 -5.394 -7.314 -5.538 1.00 0.46 H new ATOM 0 HA ILE A 66 -3.959 -9.523 -6.529 1.00 0.46 H new ATOM 0 HB ILE A 66 -3.081 -7.405 -4.521 1.00 0.54 H new ATOM 0 HG12 ILE A 66 -2.995 -7.421 -7.563 1.00 0.66 H new ATOM 0 HG13 ILE A 66 -4.058 -6.434 -6.580 1.00 0.66 H new ATOM 0 HG21 ILE A 66 -0.829 -7.862 -5.406 1.00 0.64 H new ATOM 0 HG22 ILE A 66 -1.548 -9.312 -4.667 1.00 0.64 H new ATOM 0 HG23 ILE A 66 -1.497 -9.148 -6.438 1.00 0.64 H new ATOM 0 HD11 ILE A 66 -2.150 -5.131 -7.387 1.00 0.53 H new ATOM 0 HD12 ILE A 66 -2.106 -5.270 -5.613 1.00 0.53 H new ATOM 0 HD13 ILE A 66 -1.026 -6.272 -6.611 1.00 0.53 H new ATOM 750 N ALA A 67 -4.695 -9.579 -3.322 1.00 0.44 N ATOM 751 CA ALA A 67 -4.750 -10.439 -2.142 1.00 0.51 C ATOM 752 C ALA A 67 -5.607 -11.674 -2.404 1.00 0.55 C ATOM 753 O ALA A 67 -5.280 -12.780 -1.970 1.00 0.63 O ATOM 754 CB ALA A 67 -5.300 -9.667 -0.953 1.00 0.60 C ATOM 0 H ALA A 67 -5.185 -8.690 -3.218 1.00 0.44 H new ATOM 0 HA ALA A 67 -3.736 -10.768 -1.916 1.00 0.51 H new ATOM 0 HB1 ALA A 67 -5.336 -10.319 -0.081 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -4.654 -8.815 -0.742 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -6.305 -9.313 -1.183 1.00 0.60 H new ATOM 760 N GLU A 68 -6.709 -11.466 -3.109 1.00 0.60 N ATOM 761 CA GLU A 68 -7.621 -12.542 -3.473 1.00 0.73 C ATOM 762 C GLU A 68 -6.937 -13.531 -4.408 1.00 0.73 C ATOM 763 O GLU A 68 -7.128 -14.744 -4.308 1.00 0.87 O ATOM 764 CB GLU A 68 -8.855 -11.944 -4.154 1.00 0.83 C ATOM 765 CG GLU A 68 -9.887 -12.965 -4.596 1.00 1.10 C ATOM 766 CD GLU A 68 -11.037 -12.326 -5.346 1.00 1.71 C ATOM 767 OE1 GLU A 68 -11.087 -12.443 -6.587 1.00 2.46 O ATOM 768 OE2 GLU A 68 -11.892 -11.688 -4.702 1.00 2.22 O ATOM 0 H GLU A 68 -6.997 -10.547 -3.445 1.00 0.60 H new ATOM 0 HA GLU A 68 -7.921 -13.077 -2.572 1.00 0.73 H new ATOM 0 HB2 GLU A 68 -9.328 -11.241 -3.468 1.00 0.83 H new ATOM 0 HB3 GLU A 68 -8.533 -11.372 -5.024 1.00 0.83 H new ATOM 0 HG2 GLU A 68 -9.409 -13.710 -5.232 1.00 1.10 H new ATOM 0 HG3 GLU A 68 -10.272 -13.491 -3.723 1.00 1.10 H new ATOM 775 N LYS A 69 -6.120 -12.995 -5.302 1.00 0.65 N ATOM 776 CA LYS A 69 -5.464 -13.791 -6.326 1.00 0.71 C ATOM 777 C LYS A 69 -4.064 -14.207 -5.881 1.00 0.73 C ATOM 778 O LYS A 69 -3.205 -14.530 -6.705 1.00 0.92 O ATOM 779 CB LYS A 69 -5.401 -12.990 -7.627 1.00 0.73 C ATOM 780 CG LYS A 69 -6.764 -12.480 -8.081 1.00 0.77 C ATOM 781 CD LYS A 69 -7.690 -13.622 -8.462 1.00 1.29 C ATOM 782 CE LYS A 69 -9.031 -13.117 -8.965 1.00 1.73 C ATOM 783 NZ LYS A 69 -8.895 -12.307 -10.207 1.00 2.41 N ATOM 0 H LYS A 69 -5.894 -12.001 -5.338 1.00 0.65 H new ATOM 0 HA LYS A 69 -6.041 -14.701 -6.491 1.00 0.71 H new ATOM 0 HB2 LYS A 69 -4.729 -12.143 -7.493 1.00 0.73 H new ATOM 0 HB3 LYS A 69 -4.974 -13.615 -8.411 1.00 0.73 H new ATOM 0 HG2 LYS A 69 -7.218 -11.894 -7.282 1.00 0.77 H new ATOM 0 HG3 LYS A 69 -6.638 -11.813 -8.934 1.00 0.77 H new ATOM 0 HD2 LYS A 69 -7.218 -14.231 -9.233 1.00 1.29 H new ATOM 0 HD3 LYS A 69 -7.846 -14.268 -7.598 1.00 1.29 H new ATOM 0 HE2 LYS A 69 -9.689 -13.965 -9.156 1.00 1.73 H new ATOM 0 HE3 LYS A 69 -9.505 -12.515 -8.190 1.00 1.73 H new ATOM 0 HZ1 LYS A 69 -9.830 -12.183 -10.645 1.00 2.41 H new ATOM 0 HZ2 LYS A 69 -8.497 -11.375 -9.972 1.00 2.41 H new ATOM 0 HZ3 LYS A 69 -8.263 -12.796 -10.873 1.00 2.41 H new ATOM 797 N ALA A 70 -3.841 -14.188 -4.575 1.00 0.67 N ATOM 798 CA ALA A 70 -2.566 -14.597 -4.010 1.00 0.71 C ATOM 799 C ALA A 70 -2.639 -16.026 -3.491 1.00 0.69 C ATOM 800 O ALA A 70 -3.430 -16.323 -2.591 1.00 0.68 O ATOM 801 CB ALA A 70 -2.162 -13.665 -2.883 1.00 0.78 C ATOM 0 H ALA A 70 -4.531 -13.892 -3.885 1.00 0.67 H new ATOM 0 HA ALA A 70 -1.817 -14.548 -4.800 1.00 0.71 H new ATOM 0 HB1 ALA A 70 -1.205 -13.986 -2.471 1.00 0.78 H new ATOM 0 HB2 ALA A 70 -2.070 -12.649 -3.267 1.00 0.78 H new ATOM 0 HB3 ALA A 70 -2.920 -13.690 -2.101 1.00 0.78 H new ATOM 807 N PRO A 71 -1.837 -16.936 -4.057 1.00 0.84 N ATOM 808 CA PRO A 71 -1.766 -18.314 -3.585 1.00 0.90 C ATOM 809 C PRO A 71 -1.029 -18.421 -2.259 1.00 0.81 C ATOM 810 O PRO A 71 0.191 -18.252 -2.192 1.00 0.93 O ATOM 811 CB PRO A 71 -0.979 -19.045 -4.684 1.00 1.19 C ATOM 812 CG PRO A 71 -0.912 -18.085 -5.822 1.00 1.34 C ATOM 813 CD PRO A 71 -0.961 -16.719 -5.210 1.00 1.08 C ATOM 0 HA PRO A 71 -2.758 -18.731 -3.410 1.00 0.90 H new ATOM 0 HB2 PRO A 71 0.019 -19.317 -4.339 1.00 1.19 H new ATOM 0 HB3 PRO A 71 -1.478 -19.969 -4.977 1.00 1.19 H new ATOM 0 HG2 PRO A 71 0.004 -18.223 -6.396 1.00 1.34 H new ATOM 0 HG3 PRO A 71 -1.745 -18.235 -6.509 1.00 1.34 H new ATOM 0 HD2 PRO A 71 0.027 -16.369 -4.912 1.00 1.08 H new ATOM 0 HD3 PRO A 71 -1.367 -15.978 -5.898 1.00 1.08 H new ATOM 821 N GLY A 72 -1.780 -18.685 -1.212 1.00 0.75 N ATOM 822 CA GLY A 72 -1.188 -18.932 0.083 1.00 0.77 C ATOM 823 C GLY A 72 -1.153 -17.691 0.949 1.00 0.63 C ATOM 824 O GLY A 72 -2.053 -16.853 0.870 1.00 0.62 O ATOM 0 H GLY A 72 -2.799 -18.734 -1.232 1.00 0.75 H new ATOM 0 HA2 GLY A 72 -1.752 -19.712 0.594 1.00 0.77 H new ATOM 0 HA3 GLY A 72 -0.173 -19.307 -0.050 1.00 0.77 H new ATOM 828 N PRO A 73 -0.125 -17.556 1.797 1.00 0.61 N ATOM 829 CA PRO A 73 0.035 -16.396 2.680 1.00 0.58 C ATOM 830 C PRO A 73 0.309 -15.115 1.898 1.00 0.48 C ATOM 831 O PRO A 73 1.132 -15.100 0.977 1.00 0.54 O ATOM 832 CB PRO A 73 1.247 -16.759 3.550 1.00 0.71 C ATOM 833 CG PRO A 73 1.457 -18.222 3.353 1.00 0.90 C ATOM 834 CD PRO A 73 0.965 -18.524 1.971 1.00 0.73 C ATOM 0 HA PRO A 73 -0.869 -16.199 3.256 1.00 0.58 H new ATOM 0 HB2 PRO A 73 2.129 -16.192 3.250 1.00 0.71 H new ATOM 0 HB3 PRO A 73 1.060 -16.527 4.599 1.00 0.71 H new ATOM 0 HG2 PRO A 73 2.510 -18.483 3.459 1.00 0.90 H new ATOM 0 HG3 PRO A 73 0.909 -18.799 4.098 1.00 0.90 H new ATOM 0 HD2 PRO A 73 1.748 -18.391 1.224 1.00 0.73 H new ATOM 0 HD3 PRO A 73 0.612 -19.551 1.882 1.00 0.73 H new ATOM 842 N VAL A 74 -0.382 -14.047 2.264 1.00 0.48 N ATOM 843 CA VAL A 74 -0.235 -12.771 1.586 1.00 0.46 C ATOM 844 C VAL A 74 -0.405 -11.606 2.561 1.00 0.44 C ATOM 845 O VAL A 74 -1.272 -11.630 3.438 1.00 0.56 O ATOM 846 CB VAL A 74 -1.246 -12.637 0.421 1.00 0.62 C ATOM 847 CG1 VAL A 74 -2.678 -12.793 0.914 1.00 1.50 C ATOM 848 CG2 VAL A 74 -1.070 -11.310 -0.306 1.00 1.31 C ATOM 0 H VAL A 74 -1.054 -14.040 3.032 1.00 0.48 H new ATOM 0 HA VAL A 74 0.774 -12.736 1.175 1.00 0.46 H new ATOM 0 HB VAL A 74 -1.043 -13.442 -0.286 1.00 0.62 H new ATOM 0 HG11 VAL A 74 -3.365 -12.694 0.074 1.00 1.50 H new ATOM 0 HG12 VAL A 74 -2.801 -13.776 1.369 1.00 1.50 H new ATOM 0 HG13 VAL A 74 -2.895 -12.021 1.652 1.00 1.50 H new ATOM 0 HG21 VAL A 74 -1.792 -11.242 -1.119 1.00 1.31 H new ATOM 0 HG22 VAL A 74 -1.231 -10.489 0.392 1.00 1.31 H new ATOM 0 HG23 VAL A 74 -0.060 -11.249 -0.712 1.00 1.31 H new ATOM 858 N LYS A 75 0.449 -10.604 2.414 1.00 0.44 N ATOM 859 CA LYS A 75 0.364 -9.386 3.205 1.00 0.52 C ATOM 860 C LYS A 75 0.335 -8.180 2.273 1.00 0.42 C ATOM 861 O LYS A 75 1.320 -7.887 1.592 1.00 0.45 O ATOM 862 CB LYS A 75 1.555 -9.281 4.161 1.00 0.76 C ATOM 863 CG LYS A 75 1.623 -10.386 5.199 1.00 1.20 C ATOM 864 CD LYS A 75 2.890 -10.282 6.032 1.00 1.52 C ATOM 865 CE LYS A 75 2.972 -11.391 7.069 1.00 1.90 C ATOM 866 NZ LYS A 75 4.250 -11.349 7.825 1.00 2.58 N ATOM 0 H LYS A 75 1.219 -10.612 1.745 1.00 0.44 H new ATOM 0 HA LYS A 75 -0.550 -9.411 3.798 1.00 0.52 H new ATOM 0 HB2 LYS A 75 2.476 -9.290 3.578 1.00 0.76 H new ATOM 0 HB3 LYS A 75 1.511 -8.320 4.673 1.00 0.76 H new ATOM 0 HG2 LYS A 75 0.751 -10.330 5.851 1.00 1.20 H new ATOM 0 HG3 LYS A 75 1.589 -11.356 4.704 1.00 1.20 H new ATOM 0 HD2 LYS A 75 3.761 -10.330 5.378 1.00 1.52 H new ATOM 0 HD3 LYS A 75 2.919 -9.314 6.531 1.00 1.52 H new ATOM 0 HE2 LYS A 75 2.136 -11.301 7.763 1.00 1.90 H new ATOM 0 HE3 LYS A 75 2.874 -12.358 6.575 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 4.733 -12.266 7.741 1.00 2.58 H new ATOM 0 HZ2 LYS A 75 4.859 -10.600 7.437 1.00 2.58 H new ATOM 0 HZ3 LYS A 75 4.054 -11.151 8.827 1.00 2.58 H new ATOM 880 N VAL A 76 -0.798 -7.499 2.223 1.00 0.42 N ATOM 881 CA VAL A 76 -0.960 -6.363 1.333 1.00 0.39 C ATOM 882 C VAL A 76 -1.015 -5.055 2.114 1.00 0.38 C ATOM 883 O VAL A 76 -1.809 -4.904 3.044 1.00 0.50 O ATOM 884 CB VAL A 76 -2.235 -6.501 0.477 1.00 0.53 C ATOM 885 CG1 VAL A 76 -2.373 -5.330 -0.478 1.00 0.88 C ATOM 886 CG2 VAL A 76 -2.232 -7.815 -0.285 1.00 1.16 C ATOM 0 H VAL A 76 -1.619 -7.714 2.789 1.00 0.42 H new ATOM 0 HA VAL A 76 -0.092 -6.347 0.674 1.00 0.39 H new ATOM 0 HB VAL A 76 -3.094 -6.497 1.148 1.00 0.53 H new ATOM 0 HG11 VAL A 76 -3.280 -5.449 -1.071 1.00 0.88 H new ATOM 0 HG12 VAL A 76 -2.431 -4.402 0.090 1.00 0.88 H new ATOM 0 HG13 VAL A 76 -1.508 -5.297 -1.140 1.00 0.88 H new ATOM 0 HG21 VAL A 76 -3.141 -7.891 -0.882 1.00 1.16 H new ATOM 0 HG22 VAL A 76 -1.362 -7.853 -0.941 1.00 1.16 H new ATOM 0 HG23 VAL A 76 -2.191 -8.645 0.421 1.00 1.16 H new ATOM 896 N LEU A 77 -0.163 -4.119 1.729 1.00 0.35 N ATOM 897 CA LEU A 77 -0.097 -2.817 2.369 1.00 0.41 C ATOM 898 C LEU A 77 -0.420 -1.713 1.368 1.00 0.39 C ATOM 899 O LEU A 77 0.119 -1.688 0.259 1.00 0.43 O ATOM 900 CB LEU A 77 1.298 -2.595 2.963 1.00 0.54 C ATOM 901 CG LEU A 77 1.525 -1.235 3.627 1.00 0.62 C ATOM 902 CD1 LEU A 77 0.581 -1.044 4.801 1.00 0.90 C ATOM 903 CD2 LEU A 77 2.971 -1.099 4.077 1.00 1.35 C ATOM 0 H LEU A 77 0.501 -4.241 0.965 1.00 0.35 H new ATOM 0 HA LEU A 77 -0.835 -2.786 3.171 1.00 0.41 H new ATOM 0 HB2 LEU A 77 1.488 -3.375 3.700 1.00 0.54 H new ATOM 0 HB3 LEU A 77 2.035 -2.720 2.170 1.00 0.54 H new ATOM 0 HG LEU A 77 1.316 -0.457 2.893 1.00 0.62 H new ATOM 0 HD11 LEU A 77 0.760 -0.071 5.258 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -0.450 -1.096 4.451 1.00 0.90 H new ATOM 0 HD13 LEU A 77 0.754 -1.828 5.538 1.00 0.90 H new ATOM 0 HD21 LEU A 77 3.116 -0.126 4.547 1.00 1.35 H new ATOM 0 HD22 LEU A 77 3.205 -1.887 4.793 1.00 1.35 H new ATOM 0 HD23 LEU A 77 3.631 -1.186 3.214 1.00 1.35 H new ATOM 915 N VAL A 78 -1.313 -0.815 1.755 1.00 0.37 N ATOM 916 CA VAL A 78 -1.647 0.337 0.934 1.00 0.36 C ATOM 917 C VAL A 78 -1.114 1.607 1.579 1.00 0.36 C ATOM 918 O VAL A 78 -1.402 1.893 2.743 1.00 0.38 O ATOM 919 CB VAL A 78 -3.167 0.474 0.726 1.00 0.40 C ATOM 920 CG1 VAL A 78 -3.485 1.680 -0.148 1.00 1.00 C ATOM 921 CG2 VAL A 78 -3.743 -0.796 0.119 1.00 1.01 C ATOM 0 H VAL A 78 -1.822 -0.863 2.638 1.00 0.37 H new ATOM 0 HA VAL A 78 -1.183 0.187 -0.041 1.00 0.36 H new ATOM 0 HB VAL A 78 -3.631 0.628 1.700 1.00 0.40 H new ATOM 0 HG11 VAL A 78 -4.564 1.758 -0.282 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -3.113 2.585 0.332 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -3.006 1.561 -1.120 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -4.818 -0.678 -0.020 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -3.271 -0.985 -0.845 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.553 -1.637 0.786 1.00 1.01 H new ATOM 931 N LEU A 79 -0.334 2.358 0.822 1.00 0.38 N ATOM 932 CA LEU A 79 0.284 3.571 1.329 1.00 0.40 C ATOM 933 C LEU A 79 -0.437 4.803 0.803 1.00 0.37 C ATOM 934 O LEU A 79 -0.222 5.226 -0.336 1.00 0.41 O ATOM 935 CB LEU A 79 1.771 3.630 0.951 1.00 0.46 C ATOM 936 CG LEU A 79 2.704 2.675 1.710 1.00 0.58 C ATOM 937 CD1 LEU A 79 2.514 2.803 3.215 1.00 1.23 C ATOM 938 CD2 LEU A 79 2.490 1.242 1.261 1.00 1.37 C ATOM 0 H LEU A 79 -0.113 2.148 -0.151 1.00 0.38 H new ATOM 0 HA LEU A 79 0.204 3.556 2.416 1.00 0.40 H new ATOM 0 HB2 LEU A 79 1.862 3.422 -0.115 1.00 0.46 H new ATOM 0 HB3 LEU A 79 2.124 4.649 1.108 1.00 0.46 H new ATOM 0 HG LEU A 79 3.731 2.956 1.477 1.00 0.58 H new ATOM 0 HD11 LEU A 79 3.187 2.115 3.727 1.00 1.23 H new ATOM 0 HD12 LEU A 79 2.735 3.825 3.524 1.00 1.23 H new ATOM 0 HD13 LEU A 79 1.483 2.561 3.473 1.00 1.23 H new ATOM 0 HD21 LEU A 79 3.162 0.584 1.812 1.00 1.37 H new ATOM 0 HD22 LEU A 79 1.457 0.951 1.454 1.00 1.37 H new ATOM 0 HD23 LEU A 79 2.697 1.160 0.194 1.00 1.37 H new ATOM 950 N ILE A 80 -1.293 5.374 1.637 1.00 0.41 N ATOM 951 CA ILE A 80 -2.019 6.583 1.281 1.00 0.43 C ATOM 952 C ILE A 80 -1.148 7.799 1.573 1.00 0.41 C ATOM 953 O ILE A 80 -1.029 8.226 2.718 1.00 0.42 O ATOM 954 CB ILE A 80 -3.349 6.696 2.056 1.00 0.54 C ATOM 955 CG1 ILE A 80 -4.191 5.430 1.853 1.00 1.23 C ATOM 956 CG2 ILE A 80 -4.122 7.932 1.609 1.00 1.39 C ATOM 957 CD1 ILE A 80 -5.462 5.402 2.674 1.00 1.40 C ATOM 0 H ILE A 80 -1.502 5.017 2.569 1.00 0.41 H new ATOM 0 HA ILE A 80 -2.256 6.538 0.218 1.00 0.43 H new ATOM 0 HB ILE A 80 -3.127 6.797 3.118 1.00 0.54 H new ATOM 0 HG12 ILE A 80 -4.450 5.343 0.798 1.00 1.23 H new ATOM 0 HG13 ILE A 80 -3.587 4.559 2.106 1.00 1.23 H new ATOM 0 HG21 ILE A 80 -5.057 7.997 2.165 1.00 1.39 H new ATOM 0 HG22 ILE A 80 -3.524 8.823 1.799 1.00 1.39 H new ATOM 0 HG23 ILE A 80 -4.338 7.860 0.543 1.00 1.39 H new ATOM 0 HD11 ILE A 80 -6.003 4.476 2.476 1.00 1.40 H new ATOM 0 HD12 ILE A 80 -5.212 5.457 3.734 1.00 1.40 H new ATOM 0 HD13 ILE A 80 -6.088 6.253 2.404 1.00 1.40 H new ATOM 969 N THR A 81 -0.524 8.330 0.538 1.00 0.60 N ATOM 970 CA THR A 81 0.425 9.420 0.689 1.00 0.69 C ATOM 971 C THR A 81 -0.276 10.752 0.927 1.00 0.79 C ATOM 972 O THR A 81 -1.238 11.096 0.235 1.00 1.20 O ATOM 973 CB THR A 81 1.327 9.531 -0.555 1.00 1.13 C ATOM 974 OG1 THR A 81 0.528 9.547 -1.746 1.00 2.07 O ATOM 975 CG2 THR A 81 2.307 8.370 -0.624 1.00 1.92 C ATOM 0 H THR A 81 -0.658 8.022 -0.425 1.00 0.60 H new ATOM 0 HA THR A 81 1.036 9.193 1.563 1.00 0.69 H new ATOM 0 HB THR A 81 1.889 10.462 -0.478 1.00 1.13 H new ATOM 0 HG1 THR A 81 0.986 10.066 -2.440 1.00 2.07 H new ATOM 0 HG21 THR A 81 2.931 8.473 -1.511 1.00 1.92 H new ATOM 0 HG22 THR A 81 2.937 8.372 0.265 1.00 1.92 H new ATOM 0 HG23 THR A 81 1.756 7.431 -0.675 1.00 1.92 H new ATOM 983 N GLY A 82 0.205 11.493 1.917 1.00 0.73 N ATOM 984 CA GLY A 82 -0.319 12.815 2.181 1.00 1.09 C ATOM 985 C GLY A 82 -1.615 12.781 2.960 1.00 0.92 C ATOM 986 O GLY A 82 -1.971 11.760 3.546 1.00 1.03 O ATOM 0 H GLY A 82 0.953 11.198 2.544 1.00 0.73 H new ATOM 0 HA2 GLY A 82 0.420 13.391 2.738 1.00 1.09 H new ATOM 0 HA3 GLY A 82 -0.481 13.333 1.236 1.00 1.09 H new ATOM 990 N SER A 83 -2.321 13.899 2.974 1.00 1.03 N ATOM 991 CA SER A 83 -3.586 13.986 3.674 1.00 1.19 C ATOM 992 C SER A 83 -4.720 13.458 2.805 1.00 1.10 C ATOM 993 O SER A 83 -4.883 13.879 1.658 1.00 1.22 O ATOM 994 CB SER A 83 -3.860 15.433 4.087 1.00 1.61 C ATOM 995 OG SER A 83 -3.710 16.319 2.987 1.00 2.22 O ATOM 0 H SER A 83 -2.036 14.760 2.506 1.00 1.03 H new ATOM 0 HA SER A 83 -3.528 13.369 4.571 1.00 1.19 H new ATOM 0 HB2 SER A 83 -4.870 15.514 4.488 1.00 1.61 H new ATOM 0 HB3 SER A 83 -3.176 15.722 4.885 1.00 1.61 H new ATOM 0 HG SER A 83 -3.930 15.849 2.156 1.00 2.22 H new ATOM 1001 N ALA A 84 -5.485 12.525 3.343 1.00 1.02 N ATOM 1002 CA ALA A 84 -6.646 12.001 2.648 1.00 0.95 C ATOM 1003 C ALA A 84 -7.825 12.947 2.823 1.00 0.97 C ATOM 1004 O ALA A 84 -8.195 13.284 3.952 1.00 1.13 O ATOM 1005 CB ALA A 84 -6.995 10.613 3.165 1.00 0.97 C ATOM 0 H ALA A 84 -5.322 12.114 4.262 1.00 1.02 H new ATOM 0 HA ALA A 84 -6.414 11.921 1.586 1.00 0.95 H new ATOM 0 HB1 ALA A 84 -7.868 10.235 2.633 1.00 0.97 H new ATOM 0 HB2 ALA A 84 -6.152 9.941 3.002 1.00 0.97 H new ATOM 0 HB3 ALA A 84 -7.215 10.667 4.231 1.00 0.97 H new ATOM 1011 N ASP A 85 -8.393 13.398 1.710 1.00 0.89 N ATOM 1012 CA ASP A 85 -9.535 14.308 1.748 1.00 0.93 C ATOM 1013 C ASP A 85 -10.723 13.641 2.429 1.00 0.81 C ATOM 1014 O ASP A 85 -10.859 12.420 2.370 1.00 0.71 O ATOM 1015 CB ASP A 85 -9.924 14.759 0.337 1.00 1.02 C ATOM 1016 CG ASP A 85 -8.885 15.653 -0.302 1.00 1.39 C ATOM 1017 OD1 ASP A 85 -8.149 15.172 -1.190 1.00 2.07 O ATOM 1018 OD2 ASP A 85 -8.796 16.840 0.078 1.00 1.92 O ATOM 0 H ASP A 85 -8.083 13.149 0.771 1.00 0.89 H new ATOM 0 HA ASP A 85 -9.245 15.188 2.322 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -10.076 13.881 -0.291 1.00 1.02 H new ATOM 0 HB3 ASP A 85 -10.875 15.289 0.380 1.00 1.02 H new ATOM 1023 N PRO A 86 -11.591 14.434 3.082 1.00 0.92 N ATOM 1024 CA PRO A 86 -12.714 13.920 3.880 1.00 0.95 C ATOM 1025 C PRO A 86 -13.503 12.810 3.187 1.00 0.85 C ATOM 1026 O PRO A 86 -13.695 11.733 3.756 1.00 0.88 O ATOM 1027 CB PRO A 86 -13.594 15.152 4.066 1.00 1.11 C ATOM 1028 CG PRO A 86 -12.648 16.299 4.039 1.00 1.30 C ATOM 1029 CD PRO A 86 -11.539 15.909 3.100 1.00 1.11 C ATOM 0 HA PRO A 86 -12.365 13.464 4.806 1.00 0.95 H new ATOM 0 HB2 PRO A 86 -14.336 15.232 3.272 1.00 1.11 H new ATOM 0 HB3 PRO A 86 -14.139 15.110 5.009 1.00 1.11 H new ATOM 0 HG2 PRO A 86 -13.146 17.206 3.697 1.00 1.30 H new ATOM 0 HG3 PRO A 86 -12.259 16.506 5.036 1.00 1.30 H new ATOM 0 HD2 PRO A 86 -11.693 16.326 2.105 1.00 1.11 H new ATOM 0 HD3 PRO A 86 -10.573 16.270 3.451 1.00 1.11 H new ATOM 1037 N ASP A 87 -13.919 13.056 1.951 1.00 0.82 N ATOM 1038 CA ASP A 87 -14.744 12.095 1.222 1.00 0.86 C ATOM 1039 C ASP A 87 -13.908 10.931 0.725 1.00 0.74 C ATOM 1040 O ASP A 87 -14.386 9.799 0.646 1.00 0.79 O ATOM 1041 CB ASP A 87 -15.455 12.761 0.045 1.00 1.02 C ATOM 1042 CG ASP A 87 -16.436 13.822 0.488 1.00 1.66 C ATOM 1043 OD1 ASP A 87 -17.487 13.464 1.062 1.00 2.43 O ATOM 1044 OD2 ASP A 87 -16.157 15.019 0.270 1.00 2.21 O ATOM 0 H ASP A 87 -13.701 13.907 1.433 1.00 0.82 H new ATOM 0 HA ASP A 87 -15.496 11.718 1.915 1.00 0.86 H new ATOM 0 HB2 ASP A 87 -14.714 13.209 -0.617 1.00 1.02 H new ATOM 0 HB3 ASP A 87 -15.982 12.002 -0.534 1.00 1.02 H new ATOM 1049 N GLU A 88 -12.654 11.213 0.408 1.00 0.68 N ATOM 1050 CA GLU A 88 -11.737 10.191 -0.068 1.00 0.67 C ATOM 1051 C GLU A 88 -11.409 9.221 1.059 1.00 0.55 C ATOM 1052 O GLU A 88 -11.224 8.026 0.832 1.00 0.54 O ATOM 1053 CB GLU A 88 -10.461 10.839 -0.606 1.00 0.80 C ATOM 1054 CG GLU A 88 -10.716 11.848 -1.716 1.00 1.02 C ATOM 1055 CD GLU A 88 -11.354 11.227 -2.940 1.00 1.68 C ATOM 1056 OE1 GLU A 88 -10.619 10.886 -3.891 1.00 2.37 O ATOM 1057 OE2 GLU A 88 -12.594 11.086 -2.963 1.00 2.32 O ATOM 0 H GLU A 88 -12.247 12.146 0.472 1.00 0.68 H new ATOM 0 HA GLU A 88 -12.211 9.637 -0.878 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -9.941 11.335 0.214 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -9.796 10.060 -0.979 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -11.362 12.641 -1.338 1.00 1.02 H new ATOM 0 HG3 GLU A 88 -9.773 12.314 -2.001 1.00 1.02 H new ATOM 1064 N LYS A 89 -11.354 9.747 2.278 1.00 0.57 N ATOM 1065 CA LYS A 89 -11.117 8.931 3.459 1.00 0.62 C ATOM 1066 C LYS A 89 -12.319 8.028 3.723 1.00 0.59 C ATOM 1067 O LYS A 89 -12.169 6.899 4.189 1.00 0.64 O ATOM 1068 CB LYS A 89 -10.835 9.821 4.677 1.00 0.77 C ATOM 1069 CG LYS A 89 -10.408 9.044 5.916 1.00 1.34 C ATOM 1070 CD LYS A 89 -9.997 9.960 7.067 1.00 1.77 C ATOM 1071 CE LYS A 89 -11.188 10.449 7.890 1.00 2.39 C ATOM 1072 NZ LYS A 89 -12.095 11.351 7.130 1.00 2.81 N ATOM 0 H LYS A 89 -11.471 10.741 2.472 1.00 0.57 H new ATOM 0 HA LYS A 89 -10.243 8.305 3.282 1.00 0.62 H new ATOM 0 HB2 LYS A 89 -10.054 10.537 4.420 1.00 0.77 H new ATOM 0 HB3 LYS A 89 -11.731 10.397 4.911 1.00 0.77 H new ATOM 0 HG2 LYS A 89 -11.228 8.404 6.240 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -9.575 8.389 5.661 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -9.305 9.428 7.719 1.00 1.77 H new ATOM 0 HD3 LYS A 89 -9.460 10.820 6.667 1.00 1.77 H new ATOM 0 HE2 LYS A 89 -11.755 9.588 8.243 1.00 2.39 H new ATOM 0 HE3 LYS A 89 -10.821 10.973 8.772 1.00 2.39 H new ATOM 0 HZ1 LYS A 89 -12.504 12.056 7.776 1.00 2.81 H new ATOM 0 HZ2 LYS A 89 -11.557 11.836 6.384 1.00 2.81 H new ATOM 0 HZ3 LYS A 89 -12.859 10.792 6.699 1.00 2.81 H new ATOM 1086 N THR A 90 -13.509 8.529 3.406 1.00 0.62 N ATOM 1087 CA THR A 90 -14.734 7.751 3.539 1.00 0.69 C ATOM 1088 C THR A 90 -14.774 6.635 2.496 1.00 0.62 C ATOM 1089 O THR A 90 -15.152 5.500 2.795 1.00 0.69 O ATOM 1090 CB THR A 90 -15.975 8.648 3.380 1.00 0.86 C ATOM 1091 OG1 THR A 90 -15.872 9.782 4.251 1.00 1.33 O ATOM 1092 CG2 THR A 90 -17.249 7.879 3.695 1.00 1.17 C ATOM 0 H THR A 90 -13.650 9.476 3.053 1.00 0.62 H new ATOM 0 HA THR A 90 -14.743 7.312 4.537 1.00 0.69 H new ATOM 0 HB THR A 90 -16.021 8.983 2.344 1.00 0.86 H new ATOM 0 HG1 THR A 90 -15.165 10.379 3.929 1.00 1.33 H new ATOM 0 HG21 THR A 90 -18.110 8.537 3.575 1.00 1.17 H new ATOM 0 HG22 THR A 90 -17.341 7.033 3.014 1.00 1.17 H new ATOM 0 HG23 THR A 90 -17.210 7.516 4.722 1.00 1.17 H new ATOM 1100 N LYS A 91 -14.369 6.966 1.274 1.00 0.57 N ATOM 1101 CA LYS A 91 -14.277 5.979 0.206 1.00 0.64 C ATOM 1102 C LYS A 91 -13.253 4.912 0.563 1.00 0.63 C ATOM 1103 O LYS A 91 -13.464 3.722 0.324 1.00 0.73 O ATOM 1104 CB LYS A 91 -13.889 6.645 -1.116 1.00 0.73 C ATOM 1105 CG LYS A 91 -14.966 7.542 -1.701 1.00 1.06 C ATOM 1106 CD LYS A 91 -16.209 6.751 -2.071 1.00 1.51 C ATOM 1107 CE LYS A 91 -17.241 7.620 -2.769 1.00 1.83 C ATOM 1108 NZ LYS A 91 -18.465 6.849 -3.112 1.00 2.41 N ATOM 0 H LYS A 91 -14.099 7.911 1.000 1.00 0.57 H new ATOM 0 HA LYS A 91 -15.255 5.513 0.088 1.00 0.64 H new ATOM 0 HB2 LYS A 91 -12.985 7.235 -0.961 1.00 0.73 H new ATOM 0 HB3 LYS A 91 -13.644 5.870 -1.842 1.00 0.73 H new ATOM 0 HG2 LYS A 91 -15.227 8.316 -0.980 1.00 1.06 H new ATOM 0 HG3 LYS A 91 -14.579 8.048 -2.585 1.00 1.06 H new ATOM 0 HD2 LYS A 91 -15.932 5.921 -2.721 1.00 1.51 H new ATOM 0 HD3 LYS A 91 -16.646 6.318 -1.171 1.00 1.51 H new ATOM 0 HE2 LYS A 91 -17.507 8.458 -2.125 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -16.809 8.040 -3.677 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -19.147 7.474 -3.587 1.00 2.41 H new ATOM 0 HZ2 LYS A 91 -18.214 6.064 -3.747 1.00 2.41 H new ATOM 0 HZ3 LYS A 91 -18.891 6.469 -2.243 1.00 2.41 H new ATOM 1122 N ALA A 92 -12.148 5.353 1.150 1.00 0.58 N ATOM 1123 CA ALA A 92 -11.085 4.457 1.565 1.00 0.67 C ATOM 1124 C ALA A 92 -11.544 3.587 2.723 1.00 0.68 C ATOM 1125 O ALA A 92 -11.117 2.447 2.854 1.00 0.78 O ATOM 1126 CB ALA A 92 -9.846 5.249 1.952 1.00 0.74 C ATOM 0 H ALA A 92 -11.967 6.337 1.349 1.00 0.58 H new ATOM 0 HA ALA A 92 -10.833 3.808 0.727 1.00 0.67 H new ATOM 0 HB1 ALA A 92 -9.057 4.563 2.261 1.00 0.74 H new ATOM 0 HB2 ALA A 92 -9.505 5.832 1.097 1.00 0.74 H new ATOM 0 HB3 ALA A 92 -10.086 5.921 2.776 1.00 0.74 H new ATOM 1132 N LYS A 93 -12.425 4.135 3.549 1.00 0.64 N ATOM 1133 CA LYS A 93 -12.976 3.406 4.681 1.00 0.71 C ATOM 1134 C LYS A 93 -13.730 2.174 4.198 1.00 0.70 C ATOM 1135 O LYS A 93 -13.482 1.061 4.658 1.00 0.79 O ATOM 1136 CB LYS A 93 -13.908 4.312 5.492 1.00 0.80 C ATOM 1137 CG LYS A 93 -14.452 3.668 6.757 1.00 1.09 C ATOM 1138 CD LYS A 93 -15.351 4.628 7.522 1.00 1.56 C ATOM 1139 CE LYS A 93 -15.869 4.010 8.811 1.00 2.00 C ATOM 1140 NZ LYS A 93 -16.757 2.847 8.556 1.00 2.44 N ATOM 0 H LYS A 93 -12.775 5.088 3.454 1.00 0.64 H new ATOM 0 HA LYS A 93 -12.155 3.085 5.322 1.00 0.71 H new ATOM 0 HB2 LYS A 93 -13.370 5.221 5.762 1.00 0.80 H new ATOM 0 HB3 LYS A 93 -14.745 4.613 4.861 1.00 0.80 H new ATOM 0 HG2 LYS A 93 -15.012 2.769 6.498 1.00 1.09 H new ATOM 0 HG3 LYS A 93 -13.624 3.356 7.394 1.00 1.09 H new ATOM 0 HD2 LYS A 93 -14.798 5.539 7.752 1.00 1.56 H new ATOM 0 HD3 LYS A 93 -16.193 4.917 6.893 1.00 1.56 H new ATOM 0 HE2 LYS A 93 -15.026 3.694 9.425 1.00 2.00 H new ATOM 0 HE3 LYS A 93 -16.414 4.763 9.380 1.00 2.00 H new ATOM 0 HZ1 LYS A 93 -17.194 2.541 9.449 1.00 2.44 H new ATOM 0 HZ2 LYS A 93 -17.501 3.119 7.882 1.00 2.44 H new ATOM 0 HZ3 LYS A 93 -16.199 2.065 8.158 1.00 2.44 H new ATOM 1154 N LYS A 94 -14.629 2.382 3.244 1.00 0.66 N ATOM 1155 CA LYS A 94 -15.424 1.297 2.686 1.00 0.71 C ATOM 1156 C LYS A 94 -14.539 0.299 1.939 1.00 0.67 C ATOM 1157 O LYS A 94 -14.721 -0.916 2.056 1.00 0.74 O ATOM 1158 CB LYS A 94 -16.496 1.858 1.750 1.00 0.78 C ATOM 1159 CG LYS A 94 -17.534 2.719 2.456 1.00 1.36 C ATOM 1160 CD LYS A 94 -18.486 3.378 1.467 1.00 1.79 C ATOM 1161 CE LYS A 94 -19.288 2.354 0.675 1.00 2.57 C ATOM 1162 NZ LYS A 94 -20.219 1.577 1.535 1.00 2.85 N ATOM 0 H LYS A 94 -14.826 3.297 2.839 1.00 0.66 H new ATOM 0 HA LYS A 94 -15.910 0.771 3.508 1.00 0.71 H new ATOM 0 HB2 LYS A 94 -16.013 2.450 0.973 1.00 0.78 H new ATOM 0 HB3 LYS A 94 -17.001 1.030 1.253 1.00 0.78 H new ATOM 0 HG2 LYS A 94 -18.103 2.105 3.154 1.00 1.36 H new ATOM 0 HG3 LYS A 94 -17.031 3.487 3.044 1.00 1.36 H new ATOM 0 HD2 LYS A 94 -19.169 4.035 2.005 1.00 1.79 H new ATOM 0 HD3 LYS A 94 -17.917 4.003 0.779 1.00 1.79 H new ATOM 0 HE2 LYS A 94 -19.856 2.864 -0.103 1.00 2.57 H new ATOM 0 HE3 LYS A 94 -18.604 1.670 0.173 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 -20.837 0.991 0.937 1.00 2.85 H new ATOM 0 HZ2 LYS A 94 -19.672 0.964 2.173 1.00 2.85 H new ATOM 0 HZ3 LYS A 94 -20.800 2.231 2.097 1.00 2.85 H new ATOM 1176 N ALA A 95 -13.577 0.822 1.183 1.00 0.60 N ATOM 1177 CA ALA A 95 -12.633 -0.010 0.443 1.00 0.60 C ATOM 1178 C ALA A 95 -11.811 -0.871 1.399 1.00 0.57 C ATOM 1179 O ALA A 95 -11.700 -2.085 1.220 1.00 0.57 O ATOM 1180 CB ALA A 95 -11.717 0.860 -0.401 1.00 0.63 C ATOM 0 H ALA A 95 -13.431 1.825 1.067 1.00 0.60 H new ATOM 0 HA ALA A 95 -13.197 -0.670 -0.216 1.00 0.60 H new ATOM 0 HB1 ALA A 95 -11.017 0.228 -0.948 1.00 0.63 H new ATOM 0 HB2 ALA A 95 -12.313 1.438 -1.107 1.00 0.63 H new ATOM 0 HB3 ALA A 95 -11.162 1.539 0.246 1.00 0.63 H new ATOM 1186 N ALA A 96 -11.256 -0.232 2.427 1.00 0.57 N ATOM 1187 CA ALA A 96 -10.400 -0.910 3.393 1.00 0.58 C ATOM 1188 C ALA A 96 -11.182 -1.910 4.233 1.00 0.56 C ATOM 1189 O ALA A 96 -10.689 -2.998 4.517 1.00 0.59 O ATOM 1190 CB ALA A 96 -9.708 0.099 4.295 1.00 0.64 C ATOM 0 H ALA A 96 -11.387 0.763 2.611 1.00 0.57 H new ATOM 0 HA ALA A 96 -9.647 -1.461 2.830 1.00 0.58 H new ATOM 0 HB1 ALA A 96 -9.074 -0.426 5.009 1.00 0.64 H new ATOM 0 HB2 ALA A 96 -9.096 0.768 3.690 1.00 0.64 H new ATOM 0 HB3 ALA A 96 -10.457 0.679 4.834 1.00 0.64 H new ATOM 1196 N GLU A 97 -12.398 -1.539 4.623 1.00 0.57 N ATOM 1197 CA GLU A 97 -13.255 -2.412 5.425 1.00 0.63 C ATOM 1198 C GLU A 97 -13.391 -3.774 4.749 1.00 0.55 C ATOM 1199 O GLU A 97 -13.299 -4.819 5.391 1.00 0.58 O ATOM 1200 CB GLU A 97 -14.637 -1.769 5.595 1.00 0.80 C ATOM 1201 CG GLU A 97 -15.260 -1.961 6.972 1.00 1.46 C ATOM 1202 CD GLU A 97 -15.511 -3.412 7.329 1.00 1.94 C ATOM 1203 OE1 GLU A 97 -16.587 -3.937 6.978 1.00 2.62 O ATOM 1204 OE2 GLU A 97 -14.640 -4.024 7.983 1.00 2.39 O ATOM 0 H GLU A 97 -12.815 -0.636 4.396 1.00 0.57 H new ATOM 0 HA GLU A 97 -12.804 -2.550 6.408 1.00 0.63 H new ATOM 0 HB2 GLU A 97 -14.554 -0.701 5.394 1.00 0.80 H new ATOM 0 HB3 GLU A 97 -15.311 -2.183 4.845 1.00 0.80 H new ATOM 0 HG2 GLU A 97 -14.605 -1.519 7.723 1.00 1.46 H new ATOM 0 HG3 GLU A 97 -16.204 -1.417 7.013 1.00 1.46 H new ATOM 1211 N GLU A 98 -13.579 -3.743 3.438 1.00 0.55 N ATOM 1212 CA GLU A 98 -13.716 -4.956 2.647 1.00 0.57 C ATOM 1213 C GLU A 98 -12.358 -5.606 2.395 1.00 0.52 C ATOM 1214 O GLU A 98 -12.248 -6.826 2.300 1.00 0.60 O ATOM 1215 CB GLU A 98 -14.385 -4.626 1.316 1.00 0.66 C ATOM 1216 CG GLU A 98 -15.804 -4.105 1.461 1.00 1.40 C ATOM 1217 CD GLU A 98 -16.760 -5.157 1.979 1.00 1.82 C ATOM 1218 OE1 GLU A 98 -17.546 -5.698 1.173 1.00 2.06 O ATOM 1219 OE2 GLU A 98 -16.731 -5.454 3.190 1.00 2.66 O ATOM 0 H GLU A 98 -13.641 -2.881 2.895 1.00 0.55 H new ATOM 0 HA GLU A 98 -14.332 -5.661 3.205 1.00 0.57 H new ATOM 0 HB2 GLU A 98 -13.785 -3.881 0.792 1.00 0.66 H new ATOM 0 HB3 GLU A 98 -14.397 -5.521 0.693 1.00 0.66 H new ATOM 0 HG2 GLU A 98 -15.806 -3.252 2.139 1.00 1.40 H new ATOM 0 HG3 GLU A 98 -16.155 -3.745 0.494 1.00 1.40 H new ATOM 1226 N ALA A 99 -11.326 -4.783 2.292 1.00 0.46 N ATOM 1227 CA ALA A 99 -9.988 -5.265 1.981 1.00 0.49 C ATOM 1228 C ALA A 99 -9.341 -5.953 3.182 1.00 0.46 C ATOM 1229 O ALA A 99 -8.530 -6.864 3.020 1.00 0.50 O ATOM 1230 CB ALA A 99 -9.121 -4.119 1.488 1.00 0.58 C ATOM 0 H ALA A 99 -11.390 -3.773 2.420 1.00 0.46 H new ATOM 0 HA ALA A 99 -10.076 -6.009 1.190 1.00 0.49 H new ATOM 0 HB1 ALA A 99 -8.122 -4.491 1.258 1.00 0.58 H new ATOM 0 HB2 ALA A 99 -9.563 -3.688 0.590 1.00 0.58 H new ATOM 0 HB3 ALA A 99 -9.054 -3.354 2.262 1.00 0.58 H new ATOM 1236 N ARG A 100 -9.710 -5.528 4.387 1.00 0.47 N ATOM 1237 CA ARG A 100 -9.178 -6.131 5.609 1.00 0.53 C ATOM 1238 C ARG A 100 -9.609 -7.590 5.718 1.00 0.51 C ATOM 1239 O ARG A 100 -8.976 -8.388 6.408 1.00 0.56 O ATOM 1240 CB ARG A 100 -9.635 -5.358 6.849 1.00 0.64 C ATOM 1241 CG ARG A 100 -9.088 -3.941 6.920 1.00 1.22 C ATOM 1242 CD ARG A 100 -9.490 -3.244 8.211 1.00 1.52 C ATOM 1243 NE ARG A 100 -10.941 -3.223 8.406 1.00 2.17 N ATOM 1244 CZ ARG A 100 -11.588 -2.292 9.108 1.00 2.86 C ATOM 1245 NH1 ARG A 100 -10.924 -1.287 9.664 1.00 2.99 N ATOM 1246 NH2 ARG A 100 -12.902 -2.364 9.254 1.00 3.77 N ATOM 0 H ARG A 100 -10.374 -4.770 4.545 1.00 0.47 H new ATOM 0 HA ARG A 100 -8.090 -6.086 5.556 1.00 0.53 H new ATOM 0 HB2 ARG A 100 -10.724 -5.319 6.861 1.00 0.64 H new ATOM 0 HB3 ARG A 100 -9.326 -5.903 7.741 1.00 0.64 H new ATOM 0 HG2 ARG A 100 -8.001 -3.967 6.844 1.00 1.22 H new ATOM 0 HG3 ARG A 100 -9.453 -3.367 6.068 1.00 1.22 H new ATOM 0 HD2 ARG A 100 -9.020 -3.749 9.055 1.00 1.52 H new ATOM 0 HD3 ARG A 100 -9.113 -2.221 8.201 1.00 1.52 H new ATOM 0 HE ARG A 100 -11.492 -3.967 7.978 1.00 2.17 H new ATOM 0 HH11 ARG A 100 -9.912 -1.223 9.556 1.00 2.99 H new ATOM 0 HH12 ARG A 100 -11.426 -0.579 10.200 1.00 2.99 H new ATOM 0 HH21 ARG A 100 -13.421 -3.132 8.829 1.00 3.77 H new ATOM 0 HH22 ARG A 100 -13.395 -1.651 9.791 1.00 3.77 H new ATOM 1260 N LYS A 101 -10.678 -7.931 5.012 1.00 0.51 N ATOM 1261 CA LYS A 101 -11.171 -9.301 4.958 1.00 0.58 C ATOM 1262 C LYS A 101 -10.219 -10.179 4.138 1.00 0.63 C ATOM 1263 O LYS A 101 -10.292 -11.406 4.182 1.00 0.81 O ATOM 1264 CB LYS A 101 -12.581 -9.306 4.349 1.00 0.74 C ATOM 1265 CG LYS A 101 -13.213 -10.684 4.210 1.00 1.37 C ATOM 1266 CD LYS A 101 -13.407 -11.365 5.555 1.00 1.81 C ATOM 1267 CE LYS A 101 -14.104 -12.708 5.400 1.00 2.63 C ATOM 1268 NZ LYS A 101 -13.299 -13.667 4.600 1.00 3.24 N ATOM 0 H LYS A 101 -11.226 -7.269 4.463 1.00 0.51 H new ATOM 0 HA LYS A 101 -11.218 -9.712 5.967 1.00 0.58 H new ATOM 0 HB2 LYS A 101 -13.230 -8.685 4.966 1.00 0.74 H new ATOM 0 HB3 LYS A 101 -12.538 -8.841 3.364 1.00 0.74 H new ATOM 0 HG2 LYS A 101 -14.177 -10.591 3.709 1.00 1.37 H new ATOM 0 HG3 LYS A 101 -12.583 -11.308 3.576 1.00 1.37 H new ATOM 0 HD2 LYS A 101 -12.439 -11.509 6.035 1.00 1.81 H new ATOM 0 HD3 LYS A 101 -13.995 -10.721 6.209 1.00 1.81 H new ATOM 0 HE2 LYS A 101 -14.297 -13.131 6.386 1.00 2.63 H new ATOM 0 HE3 LYS A 101 -15.072 -12.560 4.921 1.00 2.63 H new ATOM 0 HZ1 LYS A 101 -13.716 -14.617 4.674 1.00 3.24 H new ATOM 0 HZ2 LYS A 101 -13.293 -13.368 3.604 1.00 3.24 H new ATOM 0 HZ3 LYS A 101 -12.324 -13.688 4.961 1.00 3.24 H new ATOM 1282 N TRP A 102 -9.315 -9.540 3.404 1.00 0.57 N ATOM 1283 CA TRP A 102 -8.366 -10.256 2.559 1.00 0.71 C ATOM 1284 C TRP A 102 -6.926 -9.960 2.979 1.00 0.64 C ATOM 1285 O TRP A 102 -5.999 -10.105 2.183 1.00 0.73 O ATOM 1286 CB TRP A 102 -8.582 -9.878 1.091 1.00 0.84 C ATOM 1287 CG TRP A 102 -9.939 -10.256 0.580 1.00 1.11 C ATOM 1288 CD1 TRP A 102 -11.080 -9.510 0.653 1.00 2.13 C ATOM 1289 CD2 TRP A 102 -10.300 -11.477 -0.074 1.00 1.10 C ATOM 1290 NE1 TRP A 102 -12.127 -10.193 0.082 1.00 2.16 N ATOM 1291 CE2 TRP A 102 -11.672 -11.403 -0.371 1.00 1.38 C ATOM 1292 CE3 TRP A 102 -9.594 -12.628 -0.438 1.00 2.00 C ATOM 1293 CZ2 TRP A 102 -12.354 -12.433 -1.015 1.00 1.59 C ATOM 1294 CZ3 TRP A 102 -10.271 -13.649 -1.076 1.00 2.65 C ATOM 1295 CH2 TRP A 102 -11.638 -13.546 -1.359 1.00 2.21 C ATOM 0 H TRP A 102 -9.219 -8.525 3.377 1.00 0.57 H new ATOM 0 HA TRP A 102 -8.538 -11.326 2.679 1.00 0.71 H new ATOM 0 HB2 TRP A 102 -8.443 -8.803 0.975 1.00 0.84 H new ATOM 0 HB3 TRP A 102 -7.822 -10.366 0.481 1.00 0.84 H new ATOM 0 HD1 TRP A 102 -11.150 -8.527 1.095 1.00 2.13 H new ATOM 0 HE1 TRP A 102 -13.086 -9.854 0.008 1.00 2.16 H new ATOM 0 HE3 TRP A 102 -8.539 -12.717 -0.224 1.00 2.00 H new ATOM 0 HZ2 TRP A 102 -13.409 -12.355 -1.234 1.00 1.59 H new ATOM 0 HZ3 TRP A 102 -9.736 -14.543 -1.362 1.00 2.65 H new ATOM 0 HH2 TRP A 102 -12.137 -14.362 -1.859 1.00 2.21 H new ATOM 1306 N ASN A 103 -6.762 -9.546 4.238 1.00 0.56 N ATOM 1307 CA ASN A 103 -5.441 -9.276 4.829 1.00 0.64 C ATOM 1308 C ASN A 103 -4.783 -8.039 4.230 1.00 0.56 C ATOM 1309 O ASN A 103 -3.555 -7.956 4.139 1.00 0.70 O ATOM 1310 CB ASN A 103 -4.489 -10.474 4.697 1.00 0.89 C ATOM 1311 CG ASN A 103 -4.822 -11.616 5.639 1.00 1.17 C ATOM 1312 OD1 ASN A 103 -6.101 -11.892 5.824 1.00 1.58 O flip ATOM 1313 ND2 ASN A 103 -3.928 -12.262 6.183 1.00 2.00 N flip ATOM 0 H ASN A 103 -7.539 -9.387 4.880 1.00 0.56 H new ATOM 0 HA ASN A 103 -5.627 -9.094 5.888 1.00 0.64 H new ATOM 0 HB2 ASN A 103 -4.517 -10.840 3.671 1.00 0.89 H new ATOM 0 HB3 ASN A 103 -3.469 -10.141 4.888 1.00 0.89 H new ATOM 0 HD21 ASN A 103 -2.951 -12.021 6.017 1.00 2.00 H new ATOM 0 HD22 ASN A 103 -4.164 -13.039 6.800 1.00 2.00 H new ATOM 1320 N VAL A 104 -5.592 -7.075 3.830 1.00 0.46 N ATOM 1321 CA VAL A 104 -5.071 -5.812 3.336 1.00 0.45 C ATOM 1322 C VAL A 104 -5.057 -4.781 4.459 1.00 0.48 C ATOM 1323 O VAL A 104 -6.034 -4.646 5.199 1.00 0.63 O ATOM 1324 CB VAL A 104 -5.907 -5.270 2.159 1.00 0.45 C ATOM 1325 CG1 VAL A 104 -5.339 -3.952 1.652 1.00 0.73 C ATOM 1326 CG2 VAL A 104 -5.979 -6.293 1.033 1.00 0.99 C ATOM 0 H VAL A 104 -6.610 -7.141 3.837 1.00 0.46 H new ATOM 0 HA VAL A 104 -4.057 -5.992 2.980 1.00 0.45 H new ATOM 0 HB VAL A 104 -6.919 -5.087 2.519 1.00 0.45 H new ATOM 0 HG11 VAL A 104 -5.946 -3.590 0.822 1.00 0.73 H new ATOM 0 HG12 VAL A 104 -5.350 -3.217 2.457 1.00 0.73 H new ATOM 0 HG13 VAL A 104 -4.314 -4.104 1.313 1.00 0.73 H new ATOM 0 HG21 VAL A 104 -6.573 -5.890 0.213 1.00 0.99 H new ATOM 0 HG22 VAL A 104 -4.973 -6.514 0.677 1.00 0.99 H new ATOM 0 HG23 VAL A 104 -6.443 -7.208 1.402 1.00 0.99 H new ATOM 1336 N ARG A 105 -3.945 -4.080 4.599 1.00 0.45 N ATOM 1337 CA ARG A 105 -3.827 -3.028 5.593 1.00 0.48 C ATOM 1338 C ARG A 105 -3.513 -1.698 4.921 1.00 0.44 C ATOM 1339 O ARG A 105 -2.628 -1.616 4.069 1.00 0.51 O ATOM 1340 CB ARG A 105 -2.736 -3.368 6.615 1.00 0.59 C ATOM 1341 CG ARG A 105 -2.557 -2.303 7.689 1.00 1.28 C ATOM 1342 CD ARG A 105 -3.829 -2.104 8.499 1.00 1.72 C ATOM 1343 NE ARG A 105 -3.730 -0.963 9.405 1.00 2.38 N ATOM 1344 CZ ARG A 105 -4.459 -0.823 10.510 1.00 3.11 C ATOM 1345 NH1 ARG A 105 -5.308 -1.776 10.876 1.00 3.33 N ATOM 1346 NH2 ARG A 105 -4.334 0.269 11.253 1.00 4.06 N ATOM 0 H ARG A 105 -3.108 -4.222 4.034 1.00 0.45 H new ATOM 0 HA ARG A 105 -4.780 -2.945 6.116 1.00 0.48 H new ATOM 0 HB2 ARG A 105 -2.980 -4.317 7.093 1.00 0.59 H new ATOM 0 HB3 ARG A 105 -1.790 -3.508 6.092 1.00 0.59 H new ATOM 0 HG2 ARG A 105 -1.743 -2.590 8.354 1.00 1.28 H new ATOM 0 HG3 ARG A 105 -2.271 -1.360 7.223 1.00 1.28 H new ATOM 0 HD2 ARG A 105 -4.670 -1.957 7.822 1.00 1.72 H new ATOM 0 HD3 ARG A 105 -4.037 -3.006 9.074 1.00 1.72 H new ATOM 0 HE ARG A 105 -3.061 -0.228 9.177 1.00 2.38 H new ATOM 0 HH11 ARG A 105 -5.403 -2.619 10.310 1.00 3.33 H new ATOM 0 HH12 ARG A 105 -5.865 -1.665 11.723 1.00 3.33 H new ATOM 0 HH21 ARG A 105 -3.679 1.001 10.977 1.00 4.06 H new ATOM 0 HH22 ARG A 105 -4.893 0.376 12.100 1.00 4.06 H new ATOM 1360 N VAL A 106 -4.245 -0.663 5.299 1.00 0.47 N ATOM 1361 CA VAL A 106 -4.018 0.664 4.752 1.00 0.48 C ATOM 1362 C VAL A 106 -3.346 1.552 5.793 1.00 0.50 C ATOM 1363 O VAL A 106 -3.637 1.453 6.987 1.00 0.64 O ATOM 1364 CB VAL A 106 -5.335 1.315 4.268 1.00 0.63 C ATOM 1365 CG1 VAL A 106 -6.036 0.406 3.274 1.00 1.26 C ATOM 1366 CG2 VAL A 106 -6.260 1.635 5.435 1.00 1.58 C ATOM 0 H VAL A 106 -5.001 -0.716 5.982 1.00 0.47 H new ATOM 0 HA VAL A 106 -3.362 0.560 3.888 1.00 0.48 H new ATOM 0 HB VAL A 106 -5.083 2.254 3.776 1.00 0.63 H new ATOM 0 HG11 VAL A 106 -6.962 0.876 2.941 1.00 1.26 H new ATOM 0 HG12 VAL A 106 -5.386 0.236 2.416 1.00 1.26 H new ATOM 0 HG13 VAL A 106 -6.264 -0.547 3.751 1.00 1.26 H new ATOM 0 HG21 VAL A 106 -7.176 2.091 5.059 1.00 1.58 H new ATOM 0 HG22 VAL A 106 -6.505 0.716 5.968 1.00 1.58 H new ATOM 0 HG23 VAL A 106 -5.762 2.327 6.115 1.00 1.58 H new ATOM 1376 N ARG A 107 -2.417 2.384 5.346 1.00 0.46 N ATOM 1377 CA ARG A 107 -1.707 3.291 6.238 1.00 0.58 C ATOM 1378 C ARG A 107 -1.466 4.629 5.549 1.00 0.49 C ATOM 1379 O ARG A 107 -0.999 4.672 4.411 1.00 0.48 O ATOM 1380 CB ARG A 107 -0.373 2.678 6.682 1.00 0.74 C ATOM 1381 CG ARG A 107 -0.529 1.427 7.535 1.00 1.02 C ATOM 1382 CD ARG A 107 0.814 0.849 7.950 1.00 0.90 C ATOM 1383 NE ARG A 107 0.669 -0.316 8.822 1.00 1.58 N ATOM 1384 CZ ARG A 107 1.651 -1.169 9.112 1.00 2.15 C ATOM 1385 NH1 ARG A 107 2.861 -1.011 8.586 1.00 2.26 N ATOM 1386 NH2 ARG A 107 1.418 -2.182 9.934 1.00 3.00 N ATOM 0 H ARG A 107 -2.136 2.450 4.368 1.00 0.46 H new ATOM 0 HA ARG A 107 -2.323 3.456 7.122 1.00 0.58 H new ATOM 0 HB2 ARG A 107 0.216 2.433 5.798 1.00 0.74 H new ATOM 0 HB3 ARG A 107 0.190 3.423 7.245 1.00 0.74 H new ATOM 0 HG2 ARG A 107 -1.111 1.665 8.425 1.00 1.02 H new ATOM 0 HG3 ARG A 107 -1.090 0.676 6.978 1.00 1.02 H new ATOM 0 HD2 ARG A 107 1.377 0.567 7.060 1.00 0.90 H new ATOM 0 HD3 ARG A 107 1.394 1.615 8.464 1.00 0.90 H new ATOM 0 HE ARG A 107 -0.247 -0.488 9.237 1.00 1.58 H new ATOM 0 HH11 ARG A 107 3.045 -0.232 7.954 1.00 2.26 H new ATOM 0 HH12 ARG A 107 3.606 -1.669 8.814 1.00 2.26 H new ATOM 0 HH21 ARG A 107 0.491 -2.306 10.341 1.00 3.00 H new ATOM 0 HH22 ARG A 107 2.166 -2.838 10.160 1.00 3.00 H new ATOM 1400 N THR A 108 -1.802 5.712 6.235 1.00 0.56 N ATOM 1401 CA THR A 108 -1.597 7.051 5.703 1.00 0.51 C ATOM 1402 C THR A 108 -0.158 7.506 5.945 1.00 0.52 C ATOM 1403 O THR A 108 0.310 7.549 7.085 1.00 0.66 O ATOM 1404 CB THR A 108 -2.579 8.055 6.341 1.00 0.59 C ATOM 1405 OG1 THR A 108 -3.926 7.572 6.208 1.00 0.86 O ATOM 1406 CG2 THR A 108 -2.464 9.424 5.688 1.00 0.68 C ATOM 0 H THR A 108 -2.220 5.689 7.165 1.00 0.56 H new ATOM 0 HA THR A 108 -1.785 7.018 4.630 1.00 0.51 H new ATOM 0 HB THR A 108 -2.325 8.153 7.396 1.00 0.59 H new ATOM 0 HG1 THR A 108 -4.545 8.213 6.616 1.00 0.86 H new ATOM 0 HG21 THR A 108 -3.168 10.111 6.158 1.00 0.68 H new ATOM 0 HG22 THR A 108 -1.449 9.802 5.812 1.00 0.68 H new ATOM 0 HG23 THR A 108 -2.692 9.341 4.625 1.00 0.68 H new ATOM 1414 N VAL A 109 0.536 7.845 4.870 1.00 0.47 N ATOM 1415 CA VAL A 109 1.950 8.184 4.945 1.00 0.55 C ATOM 1416 C VAL A 109 2.141 9.694 4.952 1.00 0.57 C ATOM 1417 O VAL A 109 1.920 10.363 3.942 1.00 0.62 O ATOM 1418 CB VAL A 109 2.744 7.593 3.761 1.00 0.67 C ATOM 1419 CG1 VAL A 109 4.063 7.022 4.237 1.00 1.51 C ATOM 1420 CG2 VAL A 109 1.945 6.534 3.027 1.00 1.05 C ATOM 0 H VAL A 109 0.142 7.893 3.931 1.00 0.47 H new ATOM 0 HA VAL A 109 2.328 7.755 5.873 1.00 0.55 H new ATOM 0 HB VAL A 109 2.944 8.404 3.061 1.00 0.67 H new ATOM 0 HG11 VAL A 109 4.609 6.610 3.388 1.00 1.51 H new ATOM 0 HG12 VAL A 109 4.655 7.811 4.700 1.00 1.51 H new ATOM 0 HG13 VAL A 109 3.876 6.233 4.966 1.00 1.51 H new ATOM 0 HG21 VAL A 109 2.536 6.141 2.200 1.00 1.05 H new ATOM 0 HG22 VAL A 109 1.697 5.724 3.713 1.00 1.05 H new ATOM 0 HG23 VAL A 109 1.027 6.975 2.639 1.00 1.05 H new ATOM 1430 N THR A 110 2.554 10.224 6.091 1.00 0.70 N ATOM 1431 CA THR A 110 2.761 11.655 6.238 1.00 0.84 C ATOM 1432 C THR A 110 4.146 12.083 5.753 1.00 0.84 C ATOM 1433 O THR A 110 4.300 13.141 5.138 1.00 0.97 O ATOM 1434 CB THR A 110 2.575 12.074 7.706 1.00 1.02 C ATOM 1435 OG1 THR A 110 3.211 11.115 8.564 1.00 1.55 O ATOM 1436 CG2 THR A 110 1.099 12.178 8.059 1.00 1.45 C ATOM 0 H THR A 110 2.753 9.682 6.931 1.00 0.70 H new ATOM 0 HA THR A 110 2.017 12.155 5.618 1.00 0.84 H new ATOM 0 HB THR A 110 3.031 13.054 7.846 1.00 1.02 H new ATOM 0 HG1 THR A 110 3.093 11.384 9.499 1.00 1.55 H new ATOM 0 HG21 THR A 110 0.995 12.476 9.102 1.00 1.45 H new ATOM 0 HG22 THR A 110 0.624 12.922 7.420 1.00 1.45 H new ATOM 0 HG23 THR A 110 0.620 11.211 7.908 1.00 1.45 H new ATOM 1444 N SER A 111 5.147 11.256 6.024 1.00 0.79 N ATOM 1445 CA SER A 111 6.524 11.579 5.669 1.00 0.85 C ATOM 1446 C SER A 111 7.123 10.493 4.773 1.00 0.76 C ATOM 1447 O SER A 111 6.997 9.300 5.057 1.00 0.69 O ATOM 1448 CB SER A 111 7.362 11.732 6.942 1.00 0.96 C ATOM 1449 OG SER A 111 6.796 12.696 7.816 1.00 1.52 O ATOM 0 H SER A 111 5.032 10.355 6.489 1.00 0.79 H new ATOM 0 HA SER A 111 6.530 12.519 5.116 1.00 0.85 H new ATOM 0 HB2 SER A 111 7.432 10.771 7.452 1.00 0.96 H new ATOM 0 HB3 SER A 111 8.378 12.028 6.679 1.00 0.96 H new ATOM 0 HG SER A 111 7.350 12.773 8.621 1.00 1.52 H new ATOM 1455 N PRO A 112 7.782 10.908 3.671 1.00 0.82 N ATOM 1456 CA PRO A 112 8.392 9.989 2.696 1.00 0.80 C ATOM 1457 C PRO A 112 9.483 9.107 3.299 1.00 0.70 C ATOM 1458 O PRO A 112 9.635 7.947 2.913 1.00 0.74 O ATOM 1459 CB PRO A 112 8.994 10.919 1.636 1.00 0.95 C ATOM 1460 CG PRO A 112 9.100 12.251 2.295 1.00 1.05 C ATOM 1461 CD PRO A 112 7.968 12.316 3.278 1.00 0.97 C ATOM 0 HA PRO A 112 7.652 9.291 2.305 1.00 0.80 H new ATOM 0 HB2 PRO A 112 9.971 10.563 1.310 1.00 0.95 H new ATOM 0 HB3 PRO A 112 8.361 10.968 0.750 1.00 0.95 H new ATOM 0 HG2 PRO A 112 10.061 12.362 2.798 1.00 1.05 H new ATOM 0 HG3 PRO A 112 9.028 13.056 1.563 1.00 1.05 H new ATOM 0 HD2 PRO A 112 8.214 12.944 4.134 1.00 0.97 H new ATOM 0 HD3 PRO A 112 7.066 12.731 2.827 1.00 0.97 H new ATOM 1469 N ASP A 113 10.251 9.655 4.233 1.00 0.67 N ATOM 1470 CA ASP A 113 11.298 8.884 4.900 1.00 0.66 C ATOM 1471 C ASP A 113 10.687 7.778 5.731 1.00 0.59 C ATOM 1472 O ASP A 113 11.200 6.661 5.789 1.00 0.63 O ATOM 1473 CB ASP A 113 12.142 9.771 5.808 1.00 0.74 C ATOM 1474 CG ASP A 113 13.182 8.980 6.574 1.00 1.73 C ATOM 1475 OD1 ASP A 113 14.184 8.555 5.963 1.00 2.48 O ATOM 1476 OD2 ASP A 113 13.007 8.786 7.795 1.00 2.44 O ATOM 0 H ASP A 113 10.171 10.623 4.545 1.00 0.67 H new ATOM 0 HA ASP A 113 11.936 8.459 4.125 1.00 0.66 H new ATOM 0 HB2 ASP A 113 12.638 10.535 5.209 1.00 0.74 H new ATOM 0 HB3 ASP A 113 11.492 10.291 6.512 1.00 0.74 H new ATOM 1481 N GLU A 114 9.572 8.095 6.359 1.00 0.57 N ATOM 1482 CA GLU A 114 8.916 7.160 7.240 1.00 0.60 C ATOM 1483 C GLU A 114 8.225 6.066 6.432 1.00 0.52 C ATOM 1484 O GLU A 114 7.980 4.975 6.939 1.00 0.52 O ATOM 1485 CB GLU A 114 7.917 7.886 8.135 1.00 0.73 C ATOM 1486 CG GLU A 114 7.633 7.147 9.428 1.00 1.18 C ATOM 1487 CD GLU A 114 8.831 7.122 10.361 1.00 1.99 C ATOM 1488 OE1 GLU A 114 9.878 6.544 9.994 1.00 2.63 O ATOM 1489 OE2 GLU A 114 8.730 7.677 11.475 1.00 2.70 O ATOM 0 H GLU A 114 9.103 8.997 6.273 1.00 0.57 H new ATOM 0 HA GLU A 114 9.667 6.692 7.876 1.00 0.60 H new ATOM 0 HB2 GLU A 114 8.301 8.879 8.368 1.00 0.73 H new ATOM 0 HB3 GLU A 114 6.983 8.025 7.590 1.00 0.73 H new ATOM 0 HG2 GLU A 114 6.792 7.620 9.935 1.00 1.18 H new ATOM 0 HG3 GLU A 114 7.334 6.124 9.199 1.00 1.18 H new ATOM 1496 N ALA A 115 7.916 6.364 5.169 1.00 0.55 N ATOM 1497 CA ALA A 115 7.384 5.359 4.252 1.00 0.58 C ATOM 1498 C ALA A 115 8.353 4.194 4.138 1.00 0.51 C ATOM 1499 O ALA A 115 7.949 3.032 4.089 1.00 0.51 O ATOM 1500 CB ALA A 115 7.126 5.967 2.885 1.00 0.70 C ATOM 0 H ALA A 115 8.025 7.292 4.760 1.00 0.55 H new ATOM 0 HA ALA A 115 6.437 4.993 4.648 1.00 0.58 H new ATOM 0 HB1 ALA A 115 6.730 5.203 2.216 1.00 0.70 H new ATOM 0 HB2 ALA A 115 6.404 6.778 2.978 1.00 0.70 H new ATOM 0 HB3 ALA A 115 8.059 6.357 2.478 1.00 0.70 H new ATOM 1506 N LYS A 116 9.639 4.525 4.103 1.00 0.51 N ATOM 1507 CA LYS A 116 10.700 3.526 4.133 1.00 0.51 C ATOM 1508 C LYS A 116 10.539 2.611 5.346 1.00 0.44 C ATOM 1509 O LYS A 116 10.609 1.387 5.231 1.00 0.49 O ATOM 1510 CB LYS A 116 12.062 4.228 4.158 1.00 0.64 C ATOM 1511 CG LYS A 116 13.226 3.335 4.558 1.00 1.38 C ATOM 1512 CD LYS A 116 14.553 4.075 4.469 1.00 1.43 C ATOM 1513 CE LYS A 116 14.546 5.359 5.291 1.00 1.80 C ATOM 1514 NZ LYS A 116 14.333 5.101 6.740 1.00 2.33 N ATOM 0 H LYS A 116 9.974 5.487 4.053 1.00 0.51 H new ATOM 0 HA LYS A 116 10.637 2.908 3.237 1.00 0.51 H new ATOM 0 HB2 LYS A 116 12.261 4.642 3.169 1.00 0.64 H new ATOM 0 HB3 LYS A 116 12.011 5.068 4.851 1.00 0.64 H new ATOM 0 HG2 LYS A 116 13.077 2.975 5.576 1.00 1.38 H new ATOM 0 HG3 LYS A 116 13.253 2.459 3.911 1.00 1.38 H new ATOM 0 HD2 LYS A 116 15.355 3.425 4.819 1.00 1.43 H new ATOM 0 HD3 LYS A 116 14.767 4.313 3.427 1.00 1.43 H new ATOM 0 HE2 LYS A 116 15.493 5.881 5.153 1.00 1.80 H new ATOM 0 HE3 LYS A 116 13.761 6.019 4.923 1.00 1.80 H new ATOM 0 HZ1 LYS A 116 14.387 5.998 7.264 1.00 2.33 H new ATOM 0 HZ2 LYS A 116 13.396 4.672 6.882 1.00 2.33 H new ATOM 0 HZ3 LYS A 116 15.067 4.452 7.089 1.00 2.33 H new ATOM 1528 N ARG A 117 10.301 3.213 6.507 1.00 0.42 N ATOM 1529 CA ARG A 117 10.076 2.446 7.725 1.00 0.44 C ATOM 1530 C ARG A 117 8.790 1.630 7.612 1.00 0.43 C ATOM 1531 O ARG A 117 8.767 0.448 7.944 1.00 0.50 O ATOM 1532 CB ARG A 117 9.986 3.366 8.944 1.00 0.57 C ATOM 1533 CG ARG A 117 9.712 2.615 10.235 1.00 0.90 C ATOM 1534 CD ARG A 117 9.315 3.549 11.362 1.00 1.39 C ATOM 1535 NE ARG A 117 10.380 4.481 11.722 1.00 1.99 N ATOM 1536 CZ ARG A 117 11.038 4.447 12.880 1.00 2.83 C ATOM 1537 NH1 ARG A 117 10.772 3.499 13.773 1.00 3.30 N ATOM 1538 NH2 ARG A 117 11.961 5.362 13.149 1.00 3.61 N ATOM 0 H ARG A 117 10.259 4.225 6.629 1.00 0.42 H new ATOM 0 HA ARG A 117 10.923 1.772 7.854 1.00 0.44 H new ATOM 0 HB2 ARG A 117 10.919 3.920 9.044 1.00 0.57 H new ATOM 0 HB3 ARG A 117 9.196 4.099 8.782 1.00 0.57 H new ATOM 0 HG2 ARG A 117 8.917 1.888 10.070 1.00 0.90 H new ATOM 0 HG3 ARG A 117 10.601 2.055 10.524 1.00 0.90 H new ATOM 0 HD2 ARG A 117 8.429 4.112 11.067 1.00 1.39 H new ATOM 0 HD3 ARG A 117 9.042 2.960 12.237 1.00 1.39 H new ATOM 0 HE ARG A 117 10.635 5.201 11.046 1.00 1.99 H new ATOM 0 HH11 ARG A 117 10.062 2.794 13.573 1.00 3.30 H new ATOM 0 HH12 ARG A 117 11.278 3.476 14.658 1.00 3.30 H new ATOM 0 HH21 ARG A 117 12.168 6.093 12.469 1.00 3.61 H new ATOM 0 HH22 ARG A 117 12.463 5.334 14.036 1.00 3.61 H new ATOM 1552 N TRP A 118 7.733 2.277 7.131 1.00 0.43 N ATOM 1553 CA TRP A 118 6.427 1.644 6.974 1.00 0.51 C ATOM 1554 C TRP A 118 6.522 0.344 6.177 1.00 0.51 C ATOM 1555 O TRP A 118 5.940 -0.674 6.563 1.00 0.60 O ATOM 1556 CB TRP A 118 5.454 2.608 6.290 1.00 0.59 C ATOM 1557 CG TRP A 118 4.487 3.255 7.236 1.00 0.89 C ATOM 1558 CD1 TRP A 118 3.547 2.618 7.982 1.00 0.98 C ATOM 1559 CD2 TRP A 118 4.343 4.653 7.529 1.00 1.69 C ATOM 1560 NE1 TRP A 118 2.828 3.524 8.714 1.00 1.51 N ATOM 1561 CE2 TRP A 118 3.297 4.777 8.458 1.00 2.00 C ATOM 1562 CE3 TRP A 118 4.992 5.811 7.102 1.00 2.34 C ATOM 1563 CZ2 TRP A 118 2.885 6.005 8.966 1.00 2.83 C ATOM 1564 CZ3 TRP A 118 4.581 7.033 7.606 1.00 3.18 C ATOM 1565 CH2 TRP A 118 3.537 7.121 8.530 1.00 3.39 C ATOM 0 H TRP A 118 7.757 3.254 6.839 1.00 0.43 H new ATOM 0 HA TRP A 118 6.056 1.399 7.969 1.00 0.51 H new ATOM 0 HB2 TRP A 118 6.024 3.384 5.778 1.00 0.59 H new ATOM 0 HB3 TRP A 118 4.896 2.067 5.526 1.00 0.59 H new ATOM 0 HD1 TRP A 118 3.390 1.550 7.996 1.00 0.98 H new ATOM 0 HE1 TRP A 118 2.063 3.297 9.350 1.00 1.51 H new ATOM 0 HE3 TRP A 118 5.802 5.755 6.390 1.00 2.34 H new ATOM 0 HZ2 TRP A 118 2.078 6.072 9.680 1.00 2.83 H new ATOM 0 HZ3 TRP A 118 5.077 7.935 7.279 1.00 3.18 H new ATOM 0 HH2 TRP A 118 3.241 8.089 8.906 1.00 3.39 H new ATOM 1576 N ILE A 119 7.255 0.381 5.071 1.00 0.48 N ATOM 1577 CA ILE A 119 7.452 -0.805 4.247 1.00 0.54 C ATOM 1578 C ILE A 119 8.277 -1.845 4.997 1.00 0.53 C ATOM 1579 O ILE A 119 7.923 -3.026 5.037 1.00 0.58 O ATOM 1580 CB ILE A 119 8.147 -0.457 2.912 1.00 0.60 C ATOM 1581 CG1 ILE A 119 7.279 0.511 2.105 1.00 0.67 C ATOM 1582 CG2 ILE A 119 8.435 -1.718 2.105 1.00 0.69 C ATOM 1583 CD1 ILE A 119 7.907 0.949 0.800 1.00 0.81 C ATOM 0 H ILE A 119 7.722 1.219 4.724 1.00 0.48 H new ATOM 0 HA ILE A 119 6.467 -1.216 4.025 1.00 0.54 H new ATOM 0 HB ILE A 119 9.099 0.026 3.133 1.00 0.60 H new ATOM 0 HG12 ILE A 119 6.320 0.037 1.895 1.00 0.67 H new ATOM 0 HG13 ILE A 119 7.073 1.392 2.712 1.00 0.67 H new ATOM 0 HG21 ILE A 119 8.924 -1.447 1.169 1.00 0.69 H new ATOM 0 HG22 ILE A 119 9.088 -2.376 2.679 1.00 0.69 H new ATOM 0 HG23 ILE A 119 7.499 -2.233 1.889 1.00 0.69 H new ATOM 0 HD11 ILE A 119 7.234 1.634 0.284 1.00 0.81 H new ATOM 0 HD12 ILE A 119 8.852 1.453 1.002 1.00 0.81 H new ATOM 0 HD13 ILE A 119 8.088 0.076 0.172 1.00 0.81 H new ATOM 1595 N LYS A 120 9.363 -1.390 5.614 1.00 0.52 N ATOM 1596 CA LYS A 120 10.264 -2.271 6.349 1.00 0.57 C ATOM 1597 C LYS A 120 9.528 -2.988 7.480 1.00 0.56 C ATOM 1598 O LYS A 120 9.725 -4.182 7.703 1.00 0.61 O ATOM 1599 CB LYS A 120 11.442 -1.470 6.917 1.00 0.66 C ATOM 1600 CG LYS A 120 12.454 -2.319 7.670 1.00 1.08 C ATOM 1601 CD LYS A 120 13.148 -3.310 6.751 1.00 1.68 C ATOM 1602 CE LYS A 120 14.053 -4.255 7.524 1.00 2.25 C ATOM 1603 NZ LYS A 120 15.096 -3.528 8.294 1.00 2.76 N ATOM 0 H LYS A 120 9.642 -0.409 5.619 1.00 0.52 H new ATOM 0 HA LYS A 120 10.643 -3.022 5.656 1.00 0.57 H new ATOM 0 HB2 LYS A 120 11.949 -0.957 6.099 1.00 0.66 H new ATOM 0 HB3 LYS A 120 11.057 -0.701 7.586 1.00 0.66 H new ATOM 0 HG2 LYS A 120 13.197 -1.672 8.136 1.00 1.08 H new ATOM 0 HG3 LYS A 120 11.952 -2.858 8.474 1.00 1.08 H new ATOM 0 HD2 LYS A 120 12.400 -3.886 6.206 1.00 1.68 H new ATOM 0 HD3 LYS A 120 13.736 -2.769 6.009 1.00 1.68 H new ATOM 0 HE2 LYS A 120 13.451 -4.855 8.207 1.00 2.25 H new ATOM 0 HE3 LYS A 120 14.531 -4.946 6.830 1.00 2.25 H new ATOM 0 HZ1 LYS A 120 15.771 -4.211 8.695 1.00 2.76 H new ATOM 0 HZ2 LYS A 120 15.600 -2.873 7.663 1.00 2.76 H new ATOM 0 HZ3 LYS A 120 14.648 -2.991 9.064 1.00 2.76 H new ATOM 1617 N GLU A 121 8.680 -2.255 8.186 1.00 0.56 N ATOM 1618 CA GLU A 121 7.928 -2.809 9.305 1.00 0.63 C ATOM 1619 C GLU A 121 6.933 -3.865 8.840 1.00 0.67 C ATOM 1620 O GLU A 121 6.795 -4.914 9.465 1.00 0.79 O ATOM 1621 CB GLU A 121 7.187 -1.698 10.048 1.00 0.71 C ATOM 1622 CG GLU A 121 8.105 -0.717 10.759 1.00 1.18 C ATOM 1623 CD GLU A 121 8.831 -1.340 11.931 1.00 1.87 C ATOM 1624 OE1 GLU A 121 9.862 -2.007 11.713 1.00 2.50 O ATOM 1625 OE2 GLU A 121 8.375 -1.157 13.079 1.00 2.57 O ATOM 0 H GLU A 121 8.494 -1.269 8.003 1.00 0.56 H new ATOM 0 HA GLU A 121 8.642 -3.284 9.978 1.00 0.63 H new ATOM 0 HB2 GLU A 121 6.566 -1.151 9.339 1.00 0.71 H new ATOM 0 HB3 GLU A 121 6.515 -2.148 10.779 1.00 0.71 H new ATOM 0 HG2 GLU A 121 8.836 -0.330 10.049 1.00 1.18 H new ATOM 0 HG3 GLU A 121 7.520 0.133 11.110 1.00 1.18 H new ATOM 1632 N PHE A 122 6.251 -3.590 7.738 1.00 0.65 N ATOM 1633 CA PHE A 122 5.191 -4.470 7.263 1.00 0.76 C ATOM 1634 C PHE A 122 5.763 -5.725 6.607 1.00 0.78 C ATOM 1635 O PHE A 122 5.192 -6.808 6.712 1.00 0.89 O ATOM 1636 CB PHE A 122 4.286 -3.721 6.284 1.00 0.86 C ATOM 1637 CG PHE A 122 2.977 -4.411 6.023 1.00 1.36 C ATOM 1638 CD1 PHE A 122 1.931 -4.294 6.925 1.00 2.24 C ATOM 1639 CD2 PHE A 122 2.789 -5.169 4.881 1.00 1.98 C ATOM 1640 CE1 PHE A 122 0.723 -4.921 6.692 1.00 2.95 C ATOM 1641 CE2 PHE A 122 1.582 -5.799 4.643 1.00 2.74 C ATOM 1642 CZ PHE A 122 0.548 -5.675 5.550 1.00 3.02 C ATOM 0 H PHE A 122 6.411 -2.767 7.157 1.00 0.65 H new ATOM 0 HA PHE A 122 4.601 -4.785 8.124 1.00 0.76 H new ATOM 0 HB2 PHE A 122 4.089 -2.723 6.676 1.00 0.86 H new ATOM 0 HB3 PHE A 122 4.814 -3.594 5.339 1.00 0.86 H new ATOM 0 HD1 PHE A 122 2.062 -3.705 7.821 1.00 2.24 H new ATOM 0 HD2 PHE A 122 3.594 -5.270 4.168 1.00 1.98 H new ATOM 0 HE1 PHE A 122 -0.084 -4.821 7.403 1.00 2.95 H new ATOM 0 HE2 PHE A 122 1.448 -6.388 3.748 1.00 2.74 H new ATOM 0 HZ PHE A 122 -0.396 -6.167 5.366 1.00 3.02 H new ATOM 1652 N SER A 123 6.894 -5.576 5.934 1.00 0.72 N ATOM 1653 CA SER A 123 7.515 -6.694 5.237 1.00 0.79 C ATOM 1654 C SER A 123 8.256 -7.607 6.213 1.00 0.81 C ATOM 1655 O SER A 123 8.366 -8.814 5.985 1.00 1.02 O ATOM 1656 CB SER A 123 8.474 -6.175 4.159 1.00 0.82 C ATOM 1657 OG SER A 123 9.029 -7.239 3.402 1.00 1.40 O ATOM 0 H SER A 123 7.400 -4.694 5.855 1.00 0.72 H new ATOM 0 HA SER A 123 6.728 -7.279 4.761 1.00 0.79 H new ATOM 0 HB2 SER A 123 7.942 -5.493 3.495 1.00 0.82 H new ATOM 0 HB3 SER A 123 9.275 -5.604 4.628 1.00 0.82 H new ATOM 0 HG SER A 123 9.922 -6.986 3.088 1.00 1.40 H new ATOM 1663 N GLU A 124 8.749 -7.034 7.304 1.00 0.80 N ATOM 1664 CA GLU A 124 9.557 -7.785 8.255 1.00 1.00 C ATOM 1665 C GLU A 124 8.679 -8.543 9.252 1.00 1.48 C ATOM 1666 O GLU A 124 8.986 -9.679 9.620 1.00 2.09 O ATOM 1667 CB GLU A 124 10.499 -6.837 8.998 1.00 1.88 C ATOM 1668 CG GLU A 124 11.607 -7.541 9.764 1.00 2.61 C ATOM 1669 CD GLU A 124 12.555 -8.291 8.851 1.00 3.54 C ATOM 1670 OE1 GLU A 124 12.349 -9.504 8.642 1.00 4.12 O ATOM 1671 OE2 GLU A 124 13.511 -7.672 8.339 1.00 4.14 O ATOM 0 H GLU A 124 8.604 -6.055 7.551 1.00 0.80 H new ATOM 0 HA GLU A 124 10.144 -8.517 7.700 1.00 1.00 H new ATOM 0 HB2 GLU A 124 10.947 -6.150 8.280 1.00 1.88 H new ATOM 0 HB3 GLU A 124 9.916 -6.234 9.694 1.00 1.88 H new ATOM 0 HG2 GLU A 124 12.168 -6.807 10.342 1.00 2.61 H new ATOM 0 HG3 GLU A 124 11.166 -8.238 10.477 1.00 2.61 H new ATOM 1678 N GLU A 125 7.590 -7.919 9.684 1.00 2.33 N ATOM 1679 CA GLU A 125 6.704 -8.533 10.664 1.00 3.47 C ATOM 1680 C GLU A 125 5.637 -9.377 9.977 1.00 4.34 C ATOM 1681 O GLU A 125 5.776 -10.617 9.973 1.00 4.92 O ATOM 1682 CB GLU A 125 6.055 -7.471 11.555 1.00 4.25 C ATOM 1683 CG GLU A 125 7.049 -6.687 12.401 1.00 4.82 C ATOM 1684 CD GLU A 125 7.907 -7.580 13.278 1.00 5.68 C ATOM 1685 OE1 GLU A 125 7.388 -8.128 14.273 1.00 6.29 O ATOM 1686 OE2 GLU A 125 9.111 -7.730 12.985 1.00 6.07 O ATOM 1687 OXT GLU A 125 4.672 -8.804 9.429 1.00 4.84 O ATOM 0 H GLU A 125 7.300 -6.992 9.372 1.00 2.33 H new ATOM 0 HA GLU A 125 7.305 -9.187 11.295 1.00 3.47 H new ATOM 0 HB2 GLU A 125 5.498 -6.775 10.928 1.00 4.25 H new ATOM 0 HB3 GLU A 125 5.333 -7.954 12.214 1.00 4.25 H new ATOM 0 HG2 GLU A 125 7.694 -6.101 11.746 1.00 4.82 H new ATOM 0 HG3 GLU A 125 6.507 -5.981 13.030 1.00 4.82 H new TER 1694 GLU A 125