USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 ASN : amide:sc= 0.293 K(o=-3,f=-13!) USER MOD Set 1.2: A 81 GLN : amide:sc= -3.26! C(o=-3!,f=-4.4!) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 167:sc= 0.0815 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot 81:sc= 0.568 USER MOD Set 3.1: A 31 LYS NZ :NH3+ 180:sc=-0.00166 (180deg=0) USER MOD Set 3.2: A 33 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.34) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00513 USER MOD Single : A 19 ASN : amide:sc= -1.58 K(o=-1.6,f=-0.34) USER MOD Single : A 21 SER OG : rot 11:sc= -1.64 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0334 USER MOD Single : A 29 SER OG : rot 47:sc= 0.818 USER MOD Single : A 35 SER OG : rot 170:sc= -0.854 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -2.72 K(o=-2.7,f=-0.43) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 43:sc= 0.843 USER MOD Single : A 51 ASN : amide:sc= -0.797 K(o=-0.8,f=-0.12) USER MOD Single : A 56 SER OG : rot -140:sc= -0.0574 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.45 X(o=-2.4,f=-2.5) USER MOD Single : A 66 GLN : amide:sc= -7.9 K(o=-7.9,f=-16!) USER MOD Single : A 71 ASN : amide:sc= -9.46! K(o=-9.5!,f=-3.4) USER MOD Single : A 74 SER OG : rot 12:sc= 0.263 USER MOD Single : A 84 MET CE :methyl 168:sc= -2.05 (180deg=-2.31!) USER MOD Single : A 90 SER OG : rot -23:sc= 1.2 USER MOD Single : A 91 MET CE :methyl 178:sc= -7.42! (180deg=-7.45!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -19:sc= 0.839 USER MOD Single : A 96 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.96) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -164:sc= -3.21 (180deg=-4.23) USER MOD Single : A 102 GLN : amide:sc= -4.22! C(o=-4.2!,f=-6.1!) USER MOD Single : B 11 THR OG1 : rot 145:sc= 1.32 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 10 -4.109 -3.828 -7.906 1.00 0.00 N ATOM 47 CA GLU A 10 -3.874 -2.753 -8.862 1.00 0.00 C ATOM 48 C GLU A 10 -2.678 -1.902 -8.448 1.00 0.00 C ATOM 49 O GLU A 10 -2.375 -1.772 -7.262 1.00 0.00 O ATOM 50 CB GLU A 10 -5.120 -1.872 -8.984 1.00 0.00 C ATOM 51 CG GLU A 10 -5.601 -1.314 -7.656 1.00 0.00 C ATOM 52 CD GLU A 10 -6.852 -0.469 -7.794 1.00 0.00 C ATOM 53 OE1 GLU A 10 -7.482 -0.512 -8.871 1.00 0.00 O ATOM 54 OE2 GLU A 10 -7.200 0.239 -6.825 1.00 0.00 O ATOM 0 HA GLU A 10 -3.656 -3.205 -9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.905 -1.044 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.923 -2.453 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.798 -2.138 -6.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.808 -0.712 -7.211 1.00 0.00 H new ATOM 61 N PHE A 11 -2.007 -1.322 -9.437 1.00 0.00 N ATOM 62 CA PHE A 11 -0.845 -0.478 -9.184 1.00 0.00 C ATOM 63 C PHE A 11 -1.263 0.983 -9.048 1.00 0.00 C ATOM 64 O PHE A 11 -2.232 1.420 -9.672 1.00 0.00 O ATOM 65 CB PHE A 11 0.177 -0.626 -10.312 1.00 0.00 C ATOM 66 CG PHE A 11 0.498 -2.056 -10.645 1.00 0.00 C ATOM 67 CD1 PHE A 11 1.280 -2.820 -9.794 1.00 0.00 C ATOM 68 CD2 PHE A 11 0.019 -2.635 -11.809 1.00 0.00 C ATOM 69 CE1 PHE A 11 1.578 -4.135 -10.098 1.00 0.00 C ATOM 70 CE2 PHE A 11 0.314 -3.949 -12.119 1.00 0.00 C ATOM 71 CZ PHE A 11 1.094 -4.699 -11.261 1.00 0.00 C ATOM 0 H PHE A 11 -2.248 -1.421 -10.423 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.387 -0.799 -8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -0.204 -0.130 -11.205 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.096 -0.112 -10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 11 1.661 -2.383 -8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.592 -2.052 -12.482 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.189 -4.720 -9.426 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.065 -4.388 -13.030 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.325 -5.727 -11.500 1.00 0.00 H new ATOM 81 N LEU A 12 -0.536 1.733 -8.228 1.00 0.00 N ATOM 82 CA LEU A 12 -0.845 3.141 -8.012 1.00 0.00 C ATOM 83 C LEU A 12 0.415 3.997 -8.065 1.00 0.00 C ATOM 84 O LEU A 12 1.255 3.947 -7.167 1.00 0.00 O ATOM 85 CB LEU A 12 -1.539 3.335 -6.662 1.00 0.00 C ATOM 86 CG LEU A 12 -2.527 2.233 -6.272 1.00 0.00 C ATOM 87 CD1 LEU A 12 -2.402 1.899 -4.792 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.952 2.648 -6.606 1.00 0.00 C ATOM 0 H LEU A 12 0.269 1.391 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.514 3.458 -8.812 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.776 3.408 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.069 4.287 -6.678 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.285 1.339 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.113 1.114 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.389 1.555 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.614 2.789 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.639 1.851 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.204 3.557 -6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.035 2.834 -7.677 1.00 0.00 H new ATOM 100 N THR A 13 0.533 4.796 -9.122 1.00 0.00 N ATOM 101 CA THR A 13 1.679 5.678 -9.291 1.00 0.00 C ATOM 102 C THR A 13 1.378 7.050 -8.695 1.00 0.00 C ATOM 103 O THR A 13 0.381 7.679 -9.047 1.00 0.00 O ATOM 104 CB THR A 13 2.027 5.811 -10.775 1.00 0.00 C ATOM 105 OG1 THR A 13 2.347 4.549 -11.330 1.00 0.00 O ATOM 106 CG2 THR A 13 3.197 6.736 -11.034 1.00 0.00 C ATOM 0 H THR A 13 -0.154 4.849 -9.874 1.00 0.00 H new ATOM 0 HA THR A 13 2.534 5.249 -8.768 1.00 0.00 H new ATOM 0 HB THR A 13 1.138 6.234 -11.243 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.565 4.655 -12.280 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.391 6.786 -12.105 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.962 7.733 -10.661 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.081 6.356 -10.522 1.00 0.00 H new ATOM 114 N PHE A 14 2.230 7.503 -7.781 1.00 0.00 N ATOM 115 CA PHE A 14 2.024 8.794 -7.137 1.00 0.00 C ATOM 116 C PHE A 14 3.309 9.613 -7.069 1.00 0.00 C ATOM 117 O PHE A 14 4.410 9.071 -6.999 1.00 0.00 O ATOM 118 CB PHE A 14 1.470 8.594 -5.725 1.00 0.00 C ATOM 119 CG PHE A 14 0.156 7.868 -5.694 1.00 0.00 C ATOM 120 CD1 PHE A 14 -0.865 8.220 -6.560 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.056 6.832 -4.798 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.076 7.553 -6.534 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.264 6.161 -4.766 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.275 6.523 -5.635 1.00 0.00 C ATOM 0 H PHE A 14 3.062 7.000 -7.472 1.00 0.00 H new ATOM 0 HA PHE A 14 1.307 9.347 -7.743 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.197 8.038 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.350 9.567 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.714 9.025 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.732 6.546 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.865 7.837 -7.215 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.417 5.355 -4.063 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.220 6.001 -5.612 1.00 0.00 H new ATOM 134 N GLU A 15 3.142 10.932 -7.071 1.00 0.00 N ATOM 135 CA GLU A 15 4.263 11.863 -6.988 1.00 0.00 C ATOM 136 C GLU A 15 4.212 12.586 -5.649 1.00 0.00 C ATOM 137 O GLU A 15 3.301 13.373 -5.393 1.00 0.00 O ATOM 138 CB GLU A 15 4.218 12.866 -8.145 1.00 0.00 C ATOM 139 CG GLU A 15 3.388 12.403 -9.334 1.00 0.00 C ATOM 140 CD GLU A 15 1.951 12.879 -9.262 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.671 14.001 -9.733 1.00 0.00 O ATOM 142 OE2 GLU A 15 1.103 12.128 -8.735 1.00 0.00 O ATOM 0 H GLU A 15 2.230 11.384 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 15 5.199 11.309 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.814 13.810 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.236 13.064 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.843 12.769 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.404 11.314 -9.382 1.00 0.00 H new ATOM 149 N VAL A 16 5.167 12.283 -4.778 1.00 0.00 N ATOM 150 CA VAL A 16 5.196 12.874 -3.445 1.00 0.00 C ATOM 151 C VAL A 16 6.186 14.031 -3.324 1.00 0.00 C ATOM 152 O VAL A 16 7.395 13.837 -3.444 1.00 0.00 O ATOM 153 CB VAL A 16 5.553 11.812 -2.391 1.00 0.00 C ATOM 154 CG1 VAL A 16 5.302 12.346 -0.991 1.00 0.00 C ATOM 155 CG2 VAL A 16 4.767 10.534 -2.635 1.00 0.00 C ATOM 0 H VAL A 16 5.930 11.633 -4.970 1.00 0.00 H new ATOM 0 HA VAL A 16 4.195 13.268 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 16 6.614 11.579 -2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.560 11.581 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.916 13.231 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.250 12.609 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.032 9.794 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.700 10.746 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 16 5.005 10.144 -3.625 1.00 0.00 H new ATOM 165 N PRO A 17 5.685 15.253 -3.050 1.00 0.00 N ATOM 166 CA PRO A 17 6.527 16.431 -2.877 1.00 0.00 C ATOM 167 C PRO A 17 6.996 16.563 -1.431 1.00 0.00 C ATOM 168 O PRO A 17 6.182 16.516 -0.510 1.00 0.00 O ATOM 169 CB PRO A 17 5.579 17.567 -3.241 1.00 0.00 C ATOM 170 CG PRO A 17 4.238 17.092 -2.789 1.00 0.00 C ATOM 171 CD PRO A 17 4.259 15.582 -2.862 1.00 0.00 C ATOM 0 HA PRO A 17 7.436 16.406 -3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.861 18.494 -2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.590 17.765 -4.313 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.032 17.427 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.450 17.498 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.863 15.133 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.652 15.214 -3.689 1.00 0.00 H new ATOM 179 N LEU A 18 8.301 16.709 -1.228 1.00 0.00 N ATOM 180 CA LEU A 18 8.846 16.821 0.122 1.00 0.00 C ATOM 181 C LEU A 18 9.732 18.047 0.278 1.00 0.00 C ATOM 182 O LEU A 18 10.648 18.059 1.099 1.00 0.00 O ATOM 183 CB LEU A 18 9.646 15.572 0.455 1.00 0.00 C ATOM 184 CG LEU A 18 10.722 15.250 -0.570 1.00 0.00 C ATOM 185 CD1 LEU A 18 12.015 14.829 0.115 1.00 0.00 C ATOM 186 CD2 LEU A 18 10.240 14.170 -1.527 1.00 0.00 C ATOM 0 H LEU A 18 8.996 16.752 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 18 8.007 16.926 0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.112 15.699 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.965 14.724 0.534 1.00 0.00 H new ATOM 0 HG LEU A 18 10.926 16.152 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.769 14.604 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.369 15.639 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.833 13.942 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.023 13.952 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.004 13.266 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.348 14.517 -2.048 1.00 0.00 H new ATOM 198 N ASN A 19 9.447 19.077 -0.503 1.00 0.00 N ATOM 199 CA ASN A 19 10.205 20.328 -0.451 1.00 0.00 C ATOM 200 C ASN A 19 10.568 20.694 0.987 1.00 0.00 C ATOM 201 O ASN A 19 11.626 21.269 1.251 1.00 0.00 O ATOM 202 CB ASN A 19 9.390 21.457 -1.083 1.00 0.00 C ATOM 203 CG ASN A 19 8.274 21.959 -0.179 1.00 0.00 C ATOM 204 OD1 ASN A 19 8.206 23.146 0.137 1.00 0.00 O ATOM 205 ND2 ASN A 19 7.392 21.056 0.244 1.00 0.00 N ATOM 0 H ASN A 19 8.691 19.075 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 19 11.130 20.188 -1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 19 10.055 22.286 -1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.961 21.107 -2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.624 21.339 0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.484 20.081 -0.041 1.00 0.00 H new ATOM 212 N ASP A 20 9.681 20.345 1.910 1.00 0.00 N ATOM 213 CA ASP A 20 9.887 20.616 3.326 1.00 0.00 C ATOM 214 C ASP A 20 10.190 19.323 4.066 1.00 0.00 C ATOM 215 O ASP A 20 10.957 19.306 5.029 1.00 0.00 O ATOM 216 CB ASP A 20 8.652 21.277 3.934 1.00 0.00 C ATOM 217 CG ASP A 20 8.314 22.600 3.273 1.00 0.00 C ATOM 218 OD1 ASP A 20 9.251 23.300 2.834 1.00 0.00 O ATOM 219 OD2 ASP A 20 7.114 22.933 3.193 1.00 0.00 O ATOM 0 H ASP A 20 8.804 19.869 1.700 1.00 0.00 H new ATOM 0 HA ASP A 20 10.733 21.296 3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 20 7.801 20.602 3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 20 8.818 21.439 4.999 1.00 0.00 H new ATOM 224 N SER A 21 9.577 18.241 3.603 1.00 0.00 N ATOM 225 CA SER A 21 9.769 16.933 4.206 1.00 0.00 C ATOM 226 C SER A 21 11.171 16.395 3.921 1.00 0.00 C ATOM 227 O SER A 21 11.560 15.358 4.455 1.00 0.00 O ATOM 228 CB SER A 21 8.715 15.954 3.689 1.00 0.00 C ATOM 229 OG SER A 21 9.099 14.613 3.930 1.00 0.00 O ATOM 0 H SER A 21 8.939 18.247 2.807 1.00 0.00 H new ATOM 0 HA SER A 21 9.659 17.039 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.760 16.154 4.175 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.567 16.106 2.620 1.00 0.00 H new ATOM 0 HG SER A 21 9.877 14.598 4.526 1.00 0.00 H new ATOM 235 N GLY A 22 11.929 17.104 3.077 1.00 0.00 N ATOM 236 CA GLY A 22 13.280 16.675 2.746 1.00 0.00 C ATOM 237 C GLY A 22 14.047 16.166 3.952 1.00 0.00 C ATOM 238 O GLY A 22 14.890 15.277 3.832 1.00 0.00 O ATOM 0 H GLY A 22 11.630 17.965 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.232 15.888 1.993 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.823 17.509 2.302 1.00 0.00 H new ATOM 242 N SER A 23 13.744 16.725 5.120 1.00 0.00 N ATOM 243 CA SER A 23 14.400 16.316 6.357 1.00 0.00 C ATOM 244 C SER A 23 13.737 15.064 6.921 1.00 0.00 C ATOM 245 O SER A 23 14.413 14.145 7.385 1.00 0.00 O ATOM 246 CB SER A 23 14.347 17.446 7.387 1.00 0.00 C ATOM 247 OG SER A 23 13.068 18.054 7.413 1.00 0.00 O ATOM 0 H SER A 23 13.049 17.462 5.235 1.00 0.00 H new ATOM 0 HA SER A 23 15.443 16.091 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.586 17.053 8.375 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.104 18.194 7.150 1.00 0.00 H new ATOM 0 HG SER A 23 13.060 18.771 8.080 1.00 0.00 H new ATOM 253 N ALA A 24 12.408 15.031 6.871 1.00 0.00 N ATOM 254 CA ALA A 24 11.649 13.891 7.368 1.00 0.00 C ATOM 255 C ALA A 24 11.682 12.724 6.381 1.00 0.00 C ATOM 256 O ALA A 24 11.163 11.646 6.665 1.00 0.00 O ATOM 257 CB ALA A 24 10.209 14.304 7.644 1.00 0.00 C ATOM 0 H ALA A 24 11.835 15.784 6.490 1.00 0.00 H new ATOM 0 HA ALA A 24 12.113 13.557 8.296 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.649 13.446 8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.195 15.097 8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.751 14.665 6.723 1.00 0.00 H new ATOM 263 N GLY A 25 12.291 12.946 5.215 1.00 0.00 N ATOM 264 CA GLY A 25 12.367 11.903 4.207 1.00 0.00 C ATOM 265 C GLY A 25 11.183 11.944 3.262 1.00 0.00 C ATOM 266 O GLY A 25 11.349 11.942 2.043 1.00 0.00 O ATOM 0 H GLY A 25 12.731 13.828 4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.290 12.015 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.409 10.929 4.695 1.00 0.00 H new ATOM 270 N LEU A 26 9.987 11.992 3.835 1.00 0.00 N ATOM 271 CA LEU A 26 8.755 12.048 3.056 1.00 0.00 C ATOM 272 C LEU A 26 7.540 12.092 3.975 1.00 0.00 C ATOM 273 O LEU A 26 6.535 12.720 3.656 1.00 0.00 O ATOM 274 CB LEU A 26 8.650 10.857 2.105 1.00 0.00 C ATOM 275 CG LEU A 26 7.883 11.143 0.812 1.00 0.00 C ATOM 276 CD1 LEU A 26 8.482 12.341 0.088 1.00 0.00 C ATOM 277 CD2 LEU A 26 7.878 9.917 -0.090 1.00 0.00 C ATOM 0 H LEU A 26 9.843 11.993 4.845 1.00 0.00 H new ATOM 0 HA LEU A 26 8.780 12.961 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.655 10.522 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.163 10.033 2.627 1.00 0.00 H new ATOM 0 HG LEU A 26 6.851 11.381 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.923 12.529 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.429 13.219 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.524 12.134 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.328 10.140 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.903 9.646 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.399 9.086 0.428 1.00 0.00 H new ATOM 289 N GLY A 27 7.642 11.431 5.125 1.00 0.00 N ATOM 290 CA GLY A 27 6.544 11.428 6.072 1.00 0.00 C ATOM 291 C GLY A 27 5.839 10.090 6.173 1.00 0.00 C ATOM 292 O GLY A 27 4.610 10.040 6.205 1.00 0.00 O ATOM 0 H GLY A 27 8.463 10.900 5.416 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.922 11.706 7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.821 12.190 5.781 1.00 0.00 H new ATOM 296 N VAL A 28 6.605 9.003 6.231 1.00 0.00 N ATOM 297 CA VAL A 28 6.017 7.669 6.335 1.00 0.00 C ATOM 298 C VAL A 28 6.993 6.657 6.924 1.00 0.00 C ATOM 299 O VAL A 28 8.168 6.953 7.131 1.00 0.00 O ATOM 300 CB VAL A 28 5.544 7.148 4.961 1.00 0.00 C ATOM 301 CG1 VAL A 28 4.557 8.112 4.333 1.00 0.00 C ATOM 302 CG2 VAL A 28 6.729 6.913 4.034 1.00 0.00 C ATOM 0 H VAL A 28 7.625 9.018 6.208 1.00 0.00 H new ATOM 0 HA VAL A 28 5.162 7.772 7.003 1.00 0.00 H new ATOM 0 HB VAL A 28 5.039 6.194 5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.236 7.726 3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.690 8.222 4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.033 9.083 4.196 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.371 6.546 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.268 7.849 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.397 6.175 4.478 1.00 0.00 H new ATOM 312 N SER A 29 6.487 5.453 7.168 1.00 0.00 N ATOM 313 CA SER A 29 7.290 4.366 7.708 1.00 0.00 C ATOM 314 C SER A 29 7.008 3.092 6.921 1.00 0.00 C ATOM 315 O SER A 29 5.876 2.610 6.903 1.00 0.00 O ATOM 316 CB SER A 29 6.981 4.150 9.193 1.00 0.00 C ATOM 317 OG SER A 29 5.799 4.833 9.574 1.00 0.00 O ATOM 0 H SER A 29 5.512 5.205 6.997 1.00 0.00 H new ATOM 0 HA SER A 29 8.345 4.625 7.616 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.869 3.084 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.818 4.501 9.796 1.00 0.00 H new ATOM 0 HG SER A 29 5.092 4.652 8.920 1.00 0.00 H new ATOM 323 N VAL A 30 8.027 2.567 6.253 1.00 0.00 N ATOM 324 CA VAL A 30 7.865 1.362 5.445 1.00 0.00 C ATOM 325 C VAL A 30 8.566 0.160 6.068 1.00 0.00 C ATOM 326 O VAL A 30 9.587 0.300 6.741 1.00 0.00 O ATOM 327 CB VAL A 30 8.407 1.567 4.017 1.00 0.00 C ATOM 328 CG1 VAL A 30 7.424 2.373 3.183 1.00 0.00 C ATOM 329 CG2 VAL A 30 9.767 2.246 4.052 1.00 0.00 C ATOM 0 H VAL A 30 8.971 2.953 6.253 1.00 0.00 H new ATOM 0 HA VAL A 30 6.794 1.165 5.404 1.00 0.00 H new ATOM 0 HB VAL A 30 8.527 0.589 3.552 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.824 2.507 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.474 1.842 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.269 3.348 3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.132 2.382 3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.676 3.218 4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.469 1.626 4.610 1.00 0.00 H new ATOM 339 N LYS A 31 8.011 -1.025 5.826 1.00 0.00 N ATOM 340 CA LYS A 31 8.580 -2.260 6.352 1.00 0.00 C ATOM 341 C LYS A 31 8.421 -3.397 5.344 1.00 0.00 C ATOM 342 O LYS A 31 7.348 -3.589 4.772 1.00 0.00 O ATOM 343 CB LYS A 31 7.918 -2.635 7.680 1.00 0.00 C ATOM 344 CG LYS A 31 6.439 -2.963 7.561 1.00 0.00 C ATOM 345 CD LYS A 31 5.988 -3.908 8.663 1.00 0.00 C ATOM 346 CE LYS A 31 6.655 -5.269 8.533 1.00 0.00 C ATOM 347 NZ LYS A 31 5.928 -6.320 9.298 1.00 0.00 N ATOM 0 H LYS A 31 7.167 -1.155 5.268 1.00 0.00 H new ATOM 0 HA LYS A 31 9.643 -2.097 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.438 -3.495 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.042 -1.810 8.382 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.856 -2.043 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.243 -3.416 6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.226 -3.476 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.905 -4.026 8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.701 -5.552 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.683 -5.205 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.415 -7.232 9.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.906 -6.063 10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.955 -6.399 8.940 1.00 0.00 H new ATOM 361 N GLY A 32 9.497 -4.144 5.125 1.00 0.00 N ATOM 362 CA GLY A 32 9.457 -5.245 4.183 1.00 0.00 C ATOM 363 C GLY A 32 9.172 -6.578 4.845 1.00 0.00 C ATOM 364 O GLY A 32 9.515 -6.788 6.010 1.00 0.00 O ATOM 0 H GLY A 32 10.397 -4.006 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.692 -5.047 3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.411 -5.302 3.658 1.00 0.00 H new ATOM 368 N ASN A 33 8.545 -7.483 4.100 1.00 0.00 N ATOM 369 CA ASN A 33 8.214 -8.805 4.614 1.00 0.00 C ATOM 370 C ASN A 33 9.031 -9.883 3.909 1.00 0.00 C ATOM 371 O ASN A 33 9.641 -9.633 2.869 1.00 0.00 O ATOM 372 CB ASN A 33 6.721 -9.087 4.433 1.00 0.00 C ATOM 373 CG ASN A 33 5.898 -8.645 5.629 1.00 0.00 C ATOM 374 OD1 ASN A 33 5.055 -9.392 6.126 1.00 0.00 O ATOM 375 ND2 ASN A 33 6.139 -7.425 6.096 1.00 0.00 N ATOM 0 H ASN A 33 8.256 -7.323 3.135 1.00 0.00 H new ATOM 0 HA ASN A 33 8.456 -8.824 5.677 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.363 -8.574 3.540 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.573 -10.154 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.616 -7.073 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.847 -6.840 5.653 1.00 0.00 H new ATOM 382 N ARG A 34 9.039 -11.082 4.482 1.00 0.00 N ATOM 383 CA ARG A 34 9.781 -12.198 3.909 1.00 0.00 C ATOM 384 C ARG A 34 8.885 -13.427 3.774 1.00 0.00 C ATOM 385 O ARG A 34 8.069 -13.709 4.650 1.00 0.00 O ATOM 386 CB ARG A 34 10.997 -12.530 4.779 1.00 0.00 C ATOM 387 CG ARG A 34 12.303 -12.601 4.005 1.00 0.00 C ATOM 388 CD ARG A 34 13.429 -13.148 4.867 1.00 0.00 C ATOM 389 NE ARG A 34 13.978 -12.128 5.758 1.00 0.00 N ATOM 390 CZ ARG A 34 14.506 -12.388 6.953 1.00 0.00 C ATOM 391 NH1 ARG A 34 14.561 -13.633 7.412 1.00 0.00 N ATOM 392 NH2 ARG A 34 14.981 -11.397 7.695 1.00 0.00 N ATOM 0 H ARG A 34 8.540 -11.305 5.343 1.00 0.00 H new ATOM 0 HA ARG A 34 10.124 -11.907 2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.089 -11.776 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.827 -13.485 5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.174 -13.235 3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.569 -11.607 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 34 13.059 -13.986 5.458 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.221 -13.535 4.226 1.00 0.00 H new ATOM 0 HE ARG A 34 13.955 -11.157 5.446 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.197 -14.401 6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.967 -13.821 8.328 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.942 -10.438 7.350 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.386 -11.594 8.610 1.00 0.00 H new ATOM 406 N SER A 35 9.041 -14.152 2.671 1.00 0.00 N ATOM 407 CA SER A 35 8.243 -15.348 2.425 1.00 0.00 C ATOM 408 C SER A 35 8.368 -16.335 3.584 1.00 0.00 C ATOM 409 O SER A 35 9.469 -16.753 3.939 1.00 0.00 O ATOM 410 CB SER A 35 8.677 -16.016 1.116 1.00 0.00 C ATOM 411 OG SER A 35 7.612 -16.048 0.181 1.00 0.00 O ATOM 0 H SER A 35 9.712 -13.933 1.934 1.00 0.00 H new ATOM 0 HA SER A 35 7.199 -15.048 2.341 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.522 -15.475 0.691 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.018 -17.031 1.318 1.00 0.00 H new ATOM 0 HG SER A 35 7.953 -16.329 -0.694 1.00 0.00 H new ATOM 417 N LYS A 36 7.232 -16.702 4.170 1.00 0.00 N ATOM 418 CA LYS A 36 7.216 -17.637 5.288 1.00 0.00 C ATOM 419 C LYS A 36 7.678 -19.023 4.847 1.00 0.00 C ATOM 420 O LYS A 36 8.293 -19.758 5.621 1.00 0.00 O ATOM 421 CB LYS A 36 5.815 -17.722 5.893 1.00 0.00 C ATOM 422 CG LYS A 36 4.723 -17.982 4.866 1.00 0.00 C ATOM 423 CD LYS A 36 3.951 -16.715 4.538 1.00 0.00 C ATOM 424 CE LYS A 36 2.603 -16.686 5.242 1.00 0.00 C ATOM 425 NZ LYS A 36 1.620 -15.822 4.531 1.00 0.00 N ATOM 0 H LYS A 36 6.311 -16.366 3.888 1.00 0.00 H new ATOM 0 HA LYS A 36 7.907 -17.267 6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.798 -18.517 6.638 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.597 -16.791 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.167 -18.384 3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.037 -18.739 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.536 -15.844 4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.801 -16.647 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.209 -17.700 5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.734 -16.323 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.715 -15.831 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.983 -14.848 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.474 -16.183 3.567 1.00 0.00 H new ATOM 439 N GLU A 37 7.378 -19.373 3.600 1.00 0.00 N ATOM 440 CA GLU A 37 7.764 -20.670 3.058 1.00 0.00 C ATOM 441 C GLU A 37 9.253 -20.704 2.733 1.00 0.00 C ATOM 442 O GLU A 37 9.897 -21.749 2.826 1.00 0.00 O ATOM 443 CB GLU A 37 6.949 -20.983 1.802 1.00 0.00 C ATOM 444 CG GLU A 37 5.470 -21.208 2.076 1.00 0.00 C ATOM 445 CD GLU A 37 5.103 -22.678 2.124 1.00 0.00 C ATOM 446 OE1 GLU A 37 5.081 -23.320 1.052 1.00 0.00 O ATOM 447 OE2 GLU A 37 4.837 -23.187 3.232 1.00 0.00 O ATOM 0 H GLU A 37 6.869 -18.777 2.947 1.00 0.00 H new ATOM 0 HA GLU A 37 7.559 -21.427 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.058 -20.161 1.094 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.361 -21.872 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.205 -20.740 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.882 -20.716 1.302 1.00 0.00 H new ATOM 454 N ASN A 38 9.796 -19.550 2.353 1.00 0.00 N ATOM 455 CA ASN A 38 11.210 -19.445 2.014 1.00 0.00 C ATOM 456 C ASN A 38 11.745 -18.056 2.354 1.00 0.00 C ATOM 457 O ASN A 38 11.093 -17.048 2.084 1.00 0.00 O ATOM 458 CB ASN A 38 11.425 -19.736 0.529 1.00 0.00 C ATOM 459 CG ASN A 38 10.453 -18.979 -0.355 1.00 0.00 C ATOM 460 OD1 ASN A 38 9.525 -19.558 -0.919 1.00 0.00 O ATOM 461 ND2 ASN A 38 10.663 -17.673 -0.481 1.00 0.00 N ATOM 0 H ASN A 38 9.277 -18.675 2.273 1.00 0.00 H new ATOM 0 HA ASN A 38 11.756 -20.183 2.602 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.445 -19.470 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.316 -20.806 0.352 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.042 -17.110 -1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.445 -17.233 0.004 1.00 0.00 H new ATOM 468 N HIS A 39 12.933 -18.013 2.948 1.00 0.00 N ATOM 469 CA HIS A 39 13.552 -16.748 3.325 1.00 0.00 C ATOM 470 C HIS A 39 13.804 -15.877 2.098 1.00 0.00 C ATOM 471 O HIS A 39 14.905 -15.863 1.548 1.00 0.00 O ATOM 472 CB HIS A 39 14.869 -17.000 4.062 1.00 0.00 C ATOM 473 CG HIS A 39 14.704 -17.750 5.348 1.00 0.00 C ATOM 474 ND1 HIS A 39 13.534 -17.743 6.079 1.00 0.00 N ATOM 475 CD2 HIS A 39 15.570 -18.535 6.033 1.00 0.00 C ATOM 476 CE1 HIS A 39 13.690 -18.489 7.159 1.00 0.00 C ATOM 477 NE2 HIS A 39 14.914 -18.982 7.154 1.00 0.00 N ATOM 0 H HIS A 39 13.486 -18.839 3.178 1.00 0.00 H new ATOM 0 HA HIS A 39 12.866 -16.221 3.988 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.540 -17.559 3.409 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.349 -16.043 4.268 1.00 0.00 H new ATOM 0 HD2 HIS A 39 16.586 -18.766 5.750 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.942 -18.665 7.918 1.00 0.00 H new ATOM 0 HE2 HIS A 39 15.309 -19.595 7.867 1.00 0.00 H new ATOM 486 N ALA A 40 12.775 -15.151 1.676 1.00 0.00 N ATOM 487 CA ALA A 40 12.878 -14.276 0.514 1.00 0.00 C ATOM 488 C ALA A 40 11.981 -13.054 0.674 1.00 0.00 C ATOM 489 O ALA A 40 10.785 -13.181 0.940 1.00 0.00 O ATOM 490 CB ALA A 40 12.520 -15.036 -0.753 1.00 0.00 C ATOM 0 H ALA A 40 11.858 -15.151 2.122 1.00 0.00 H new ATOM 0 HA ALA A 40 13.909 -13.932 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.601 -14.370 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.203 -15.876 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.498 -15.408 -0.678 1.00 0.00 H new ATOM 496 N ASP A 41 12.563 -11.870 0.514 1.00 0.00 N ATOM 497 CA ASP A 41 11.817 -10.623 0.645 1.00 0.00 C ATOM 498 C ASP A 41 10.549 -10.645 -0.207 1.00 0.00 C ATOM 499 O ASP A 41 10.527 -11.224 -1.292 1.00 0.00 O ATOM 500 CB ASP A 41 12.696 -9.436 0.242 1.00 0.00 C ATOM 501 CG ASP A 41 11.923 -8.131 0.195 1.00 0.00 C ATOM 502 OD1 ASP A 41 11.061 -7.922 1.075 1.00 0.00 O ATOM 503 OD2 ASP A 41 12.175 -7.323 -0.723 1.00 0.00 O ATOM 0 H ASP A 41 13.551 -11.747 0.293 1.00 0.00 H new ATOM 0 HA ASP A 41 11.524 -10.515 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.520 -9.341 0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.136 -9.629 -0.736 1.00 0.00 H new ATOM 508 N LEU A 42 9.501 -10.003 0.296 1.00 0.00 N ATOM 509 CA LEU A 42 8.228 -9.936 -0.412 1.00 0.00 C ATOM 510 C LEU A 42 7.948 -8.513 -0.891 1.00 0.00 C ATOM 511 O LEU A 42 7.185 -8.306 -1.834 1.00 0.00 O ATOM 512 CB LEU A 42 7.089 -10.415 0.492 1.00 0.00 C ATOM 513 CG LEU A 42 7.229 -11.847 1.014 1.00 0.00 C ATOM 514 CD1 LEU A 42 5.959 -12.277 1.733 1.00 0.00 C ATOM 515 CD2 LEU A 42 7.546 -12.805 -0.125 1.00 0.00 C ATOM 0 H LEU A 42 9.508 -9.520 1.194 1.00 0.00 H new ATOM 0 HA LEU A 42 8.290 -10.590 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.015 -9.740 1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.152 -10.336 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 42 8.055 -11.874 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.075 -13.298 2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.774 -11.610 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.117 -12.232 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.642 -13.818 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.742 -12.775 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.482 -12.510 -0.599 1.00 0.00 H new ATOM 527 N GLY A 43 8.567 -7.536 -0.233 1.00 0.00 N ATOM 528 CA GLY A 43 8.369 -6.148 -0.603 1.00 0.00 C ATOM 529 C GLY A 43 8.074 -5.268 0.596 1.00 0.00 C ATOM 530 O GLY A 43 7.716 -5.767 1.662 1.00 0.00 O ATOM 0 H GLY A 43 9.203 -7.683 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.260 -5.779 -1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.545 -6.078 -1.313 1.00 0.00 H new ATOM 534 N ILE A 44 8.222 -3.958 0.423 1.00 0.00 N ATOM 535 CA ILE A 44 7.969 -3.013 1.508 1.00 0.00 C ATOM 536 C ILE A 44 6.581 -2.395 1.387 1.00 0.00 C ATOM 537 O ILE A 44 6.150 -2.009 0.300 1.00 0.00 O ATOM 538 CB ILE A 44 9.019 -1.882 1.541 1.00 0.00 C ATOM 539 CG1 ILE A 44 9.294 -1.368 0.126 1.00 0.00 C ATOM 540 CG2 ILE A 44 10.304 -2.362 2.202 1.00 0.00 C ATOM 541 CD1 ILE A 44 10.510 -1.989 -0.523 1.00 0.00 C ATOM 0 H ILE A 44 8.515 -3.527 -0.454 1.00 0.00 H new ATOM 0 HA ILE A 44 8.035 -3.582 2.435 1.00 0.00 H new ATOM 0 HB ILE A 44 8.622 -1.058 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.421 -1.563 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.425 -0.286 0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.031 -1.550 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.092 -2.676 3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 44 10.710 -3.203 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.640 -1.575 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.394 -1.772 0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.374 -3.068 -0.592 1.00 0.00 H new ATOM 553 N PHE A 45 5.885 -2.309 2.515 1.00 0.00 N ATOM 554 CA PHE A 45 4.542 -1.741 2.549 1.00 0.00 C ATOM 555 C PHE A 45 4.471 -0.588 3.542 1.00 0.00 C ATOM 556 O PHE A 45 5.156 -0.595 4.566 1.00 0.00 O ATOM 557 CB PHE A 45 3.510 -2.812 2.925 1.00 0.00 C ATOM 558 CG PHE A 45 3.955 -4.219 2.629 1.00 0.00 C ATOM 559 CD1 PHE A 45 4.830 -4.876 3.480 1.00 0.00 C ATOM 560 CD2 PHE A 45 3.499 -4.882 1.501 1.00 0.00 C ATOM 561 CE1 PHE A 45 5.240 -6.167 3.214 1.00 0.00 C ATOM 562 CE2 PHE A 45 3.907 -6.175 1.229 1.00 0.00 C ATOM 563 CZ PHE A 45 4.779 -6.818 2.086 1.00 0.00 C ATOM 0 H PHE A 45 6.230 -2.626 3.421 1.00 0.00 H new ATOM 0 HA PHE A 45 4.312 -1.364 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.285 -2.729 3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.583 -2.614 2.387 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.196 -4.372 4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.818 -4.384 0.827 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.920 -6.668 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.544 -6.682 0.347 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.100 -7.827 1.875 1.00 0.00 H new ATOM 573 N VAL A 46 3.640 0.400 3.235 1.00 0.00 N ATOM 574 CA VAL A 46 3.480 1.560 4.103 1.00 0.00 C ATOM 575 C VAL A 46 2.980 1.142 5.482 1.00 0.00 C ATOM 576 O VAL A 46 1.806 0.821 5.657 1.00 0.00 O ATOM 577 CB VAL A 46 2.507 2.587 3.494 1.00 0.00 C ATOM 578 CG1 VAL A 46 2.459 3.851 4.339 1.00 0.00 C ATOM 579 CG2 VAL A 46 2.903 2.913 2.062 1.00 0.00 C ATOM 0 H VAL A 46 3.066 0.421 2.392 1.00 0.00 H new ATOM 0 HA VAL A 46 4.461 2.025 4.203 1.00 0.00 H new ATOM 0 HB VAL A 46 1.509 2.148 3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.766 4.562 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.123 3.603 5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.454 4.295 4.387 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.204 3.640 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.910 3.329 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.878 2.004 1.462 1.00 0.00 H new ATOM 589 N LYS A 47 3.881 1.150 6.460 1.00 0.00 N ATOM 590 CA LYS A 47 3.535 0.775 7.826 1.00 0.00 C ATOM 591 C LYS A 47 2.687 1.858 8.478 1.00 0.00 C ATOM 592 O LYS A 47 1.691 1.568 9.140 1.00 0.00 O ATOM 593 CB LYS A 47 4.803 0.541 8.652 1.00 0.00 C ATOM 594 CG LYS A 47 4.526 0.151 10.093 1.00 0.00 C ATOM 595 CD LYS A 47 4.265 -1.340 10.227 1.00 0.00 C ATOM 596 CE LYS A 47 3.647 -1.680 11.573 1.00 0.00 C ATOM 597 NZ LYS A 47 3.860 -3.108 11.937 1.00 0.00 N ATOM 0 H LYS A 47 4.858 1.413 6.331 1.00 0.00 H new ATOM 0 HA LYS A 47 2.959 -0.150 7.791 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.395 -0.243 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.407 1.448 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.376 0.430 10.716 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.664 0.707 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.600 -1.667 9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.201 -1.886 10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.079 -1.041 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.578 -1.468 11.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.424 -3.299 12.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.426 -3.719 11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.880 -3.305 11.988 1.00 0.00 H new ATOM 611 N SER A 48 3.092 3.105 8.283 1.00 0.00 N ATOM 612 CA SER A 48 2.371 4.239 8.852 1.00 0.00 C ATOM 613 C SER A 48 2.827 5.546 8.214 1.00 0.00 C ATOM 614 O SER A 48 4.022 5.835 8.153 1.00 0.00 O ATOM 615 CB SER A 48 2.576 4.295 10.366 1.00 0.00 C ATOM 616 OG SER A 48 1.550 3.590 11.047 1.00 0.00 O ATOM 0 H SER A 48 3.915 3.359 7.736 1.00 0.00 H new ATOM 0 HA SER A 48 1.309 4.105 8.644 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.546 3.868 10.621 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.589 5.334 10.696 1.00 0.00 H new ATOM 0 HG SER A 48 1.367 2.747 10.581 1.00 0.00 H new ATOM 622 N ILE A 49 1.866 6.330 7.742 1.00 0.00 N ATOM 623 CA ILE A 49 2.169 7.606 7.107 1.00 0.00 C ATOM 624 C ILE A 49 2.096 8.751 8.111 1.00 0.00 C ATOM 625 O ILE A 49 1.059 8.983 8.733 1.00 0.00 O ATOM 626 CB ILE A 49 1.206 7.890 5.934 1.00 0.00 C ATOM 627 CG1 ILE A 49 1.337 6.800 4.873 1.00 0.00 C ATOM 628 CG2 ILE A 49 1.477 9.261 5.326 1.00 0.00 C ATOM 629 CD1 ILE A 49 0.384 6.970 3.712 1.00 0.00 C ATOM 0 H ILE A 49 0.872 6.105 7.787 1.00 0.00 H new ATOM 0 HA ILE A 49 3.186 7.537 6.720 1.00 0.00 H new ATOM 0 HB ILE A 49 0.186 7.888 6.318 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.359 6.793 4.495 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.162 5.829 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.786 9.437 4.502 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.339 10.030 6.086 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.501 9.298 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.533 6.160 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.643 6.947 4.078 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.574 7.925 3.223 1.00 0.00 H new ATOM 641 N ILE A 50 3.205 9.468 8.259 1.00 0.00 N ATOM 642 CA ILE A 50 3.271 10.596 9.181 1.00 0.00 C ATOM 643 C ILE A 50 2.221 11.642 8.818 1.00 0.00 C ATOM 644 O ILE A 50 2.294 12.271 7.763 1.00 0.00 O ATOM 645 CB ILE A 50 4.679 11.240 9.183 1.00 0.00 C ATOM 646 CG1 ILE A 50 5.665 10.354 9.949 1.00 0.00 C ATOM 647 CG2 ILE A 50 4.648 12.637 9.795 1.00 0.00 C ATOM 648 CD1 ILE A 50 6.725 9.719 9.075 1.00 0.00 C ATOM 0 H ILE A 50 4.071 9.288 7.752 1.00 0.00 H new ATOM 0 HA ILE A 50 3.068 10.218 10.183 1.00 0.00 H new ATOM 0 HB ILE A 50 5.008 11.331 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.153 10.952 10.719 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.110 9.567 10.460 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.652 13.062 9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.977 13.273 9.217 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.293 12.576 10.824 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.385 9.107 9.690 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.248 9.093 8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.307 10.499 8.584 1.00 0.00 H new ATOM 660 N ASN A 51 1.246 11.818 9.701 1.00 0.00 N ATOM 661 CA ASN A 51 0.176 12.785 9.478 1.00 0.00 C ATOM 662 C ASN A 51 0.717 14.210 9.536 1.00 0.00 C ATOM 663 O ASN A 51 0.503 14.930 10.511 1.00 0.00 O ATOM 664 CB ASN A 51 -0.939 12.611 10.515 1.00 0.00 C ATOM 665 CG ASN A 51 -1.172 11.158 10.887 1.00 0.00 C ATOM 666 OD1 ASN A 51 -1.974 10.465 10.262 1.00 0.00 O ATOM 667 ND2 ASN A 51 -0.468 10.694 11.912 1.00 0.00 N ATOM 0 H ASN A 51 1.173 11.304 10.579 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.236 12.604 8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.686 13.175 11.413 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.864 13.034 10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -0.581 9.725 12.211 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.186 11.306 12.400 1.00 0.00 H new ATOM 674 N GLY A 52 1.427 14.606 8.486 1.00 0.00 N ATOM 675 CA GLY A 52 1.995 15.938 8.434 1.00 0.00 C ATOM 676 C GLY A 52 3.132 16.034 7.440 1.00 0.00 C ATOM 677 O GLY A 52 3.402 17.105 6.896 1.00 0.00 O ATOM 0 H GLY A 52 1.619 14.027 7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.217 16.653 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.355 16.217 9.424 1.00 0.00 H new ATOM 681 N GLY A 53 3.805 14.911 7.202 1.00 0.00 N ATOM 682 CA GLY A 53 4.911 14.897 6.267 1.00 0.00 C ATOM 683 C GLY A 53 4.463 15.089 4.832 1.00 0.00 C ATOM 684 O GLY A 53 3.299 15.388 4.568 1.00 0.00 O ATOM 0 H GLY A 53 3.602 14.013 7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.616 15.685 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.444 13.950 6.354 1.00 0.00 H new ATOM 688 N ALA A 54 5.396 14.922 3.906 1.00 0.00 N ATOM 689 CA ALA A 54 5.115 15.082 2.485 1.00 0.00 C ATOM 690 C ALA A 54 4.117 14.047 1.975 1.00 0.00 C ATOM 691 O ALA A 54 3.242 14.362 1.169 1.00 0.00 O ATOM 692 CB ALA A 54 6.407 14.990 1.694 1.00 0.00 C ATOM 0 H ALA A 54 6.363 14.674 4.115 1.00 0.00 H new ATOM 0 HA ALA A 54 4.664 16.064 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.193 15.110 0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.089 15.776 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.869 14.017 1.863 1.00 0.00 H new ATOM 698 N ALA A 55 4.260 12.812 2.436 1.00 0.00 N ATOM 699 CA ALA A 55 3.375 11.734 2.010 1.00 0.00 C ATOM 700 C ALA A 55 1.931 12.019 2.395 1.00 0.00 C ATOM 701 O ALA A 55 1.031 11.949 1.558 1.00 0.00 O ATOM 702 CB ALA A 55 3.827 10.411 2.600 1.00 0.00 C ATOM 0 H ALA A 55 4.978 12.531 3.103 1.00 0.00 H new ATOM 0 HA ALA A 55 3.427 11.670 0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.155 9.618 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.840 10.190 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.810 10.473 3.688 1.00 0.00 H new ATOM 708 N SER A 56 1.716 12.347 3.660 1.00 0.00 N ATOM 709 CA SER A 56 0.376 12.651 4.144 1.00 0.00 C ATOM 710 C SER A 56 -0.159 13.890 3.438 1.00 0.00 C ATOM 711 O SER A 56 -1.364 14.032 3.228 1.00 0.00 O ATOM 712 CB SER A 56 0.391 12.873 5.657 1.00 0.00 C ATOM 713 OG SER A 56 -0.913 13.130 6.148 1.00 0.00 O ATOM 0 H SER A 56 2.448 12.410 4.368 1.00 0.00 H new ATOM 0 HA SER A 56 -0.276 11.805 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.803 11.994 6.153 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.045 13.711 5.898 1.00 0.00 H new ATOM 0 HG SER A 56 -0.873 13.831 6.832 1.00 0.00 H new ATOM 719 N LYS A 57 0.756 14.777 3.064 1.00 0.00 N ATOM 720 CA LYS A 57 0.405 16.005 2.370 1.00 0.00 C ATOM 721 C LYS A 57 0.047 15.720 0.917 1.00 0.00 C ATOM 722 O LYS A 57 -0.833 16.364 0.344 1.00 0.00 O ATOM 723 CB LYS A 57 1.563 16.981 2.443 1.00 0.00 C ATOM 724 CG LYS A 57 1.654 17.663 3.789 1.00 0.00 C ATOM 725 CD LYS A 57 2.861 18.559 3.859 1.00 0.00 C ATOM 726 CE LYS A 57 2.509 19.973 3.440 1.00 0.00 C ATOM 727 NZ LYS A 57 3.584 20.945 3.788 1.00 0.00 N ATOM 0 H LYS A 57 1.756 14.664 3.233 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.467 16.444 2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.495 16.452 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.450 17.734 1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.752 18.248 3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.707 16.913 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.257 18.564 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.647 18.169 3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.332 19.999 2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.579 20.273 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.302 21.899 3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.736 20.941 4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.465 20.675 3.307 1.00 0.00 H new ATOM 741 N ASP A 58 0.734 14.743 0.331 1.00 0.00 N ATOM 742 CA ASP A 58 0.492 14.358 -1.054 1.00 0.00 C ATOM 743 C ASP A 58 -0.957 13.921 -1.249 1.00 0.00 C ATOM 744 O ASP A 58 -1.507 14.032 -2.345 1.00 0.00 O ATOM 745 CB ASP A 58 1.435 13.225 -1.461 1.00 0.00 C ATOM 746 CG ASP A 58 1.659 13.172 -2.959 1.00 0.00 C ATOM 747 OD1 ASP A 58 1.660 14.245 -3.598 1.00 0.00 O ATOM 748 OD2 ASP A 58 1.835 12.056 -3.494 1.00 0.00 O ATOM 0 H ASP A 58 1.464 14.203 0.796 1.00 0.00 H new ATOM 0 HA ASP A 58 0.682 15.225 -1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.393 13.354 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.023 12.274 -1.124 1.00 0.00 H new ATOM 753 N GLY A 59 -1.569 13.425 -0.177 1.00 0.00 N ATOM 754 CA GLY A 59 -2.946 12.979 -0.252 1.00 0.00 C ATOM 755 C GLY A 59 -3.128 11.811 -1.199 1.00 0.00 C ATOM 756 O GLY A 59 -4.216 11.605 -1.740 1.00 0.00 O ATOM 0 H GLY A 59 -1.135 13.325 0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.286 12.692 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.575 13.807 -0.577 1.00 0.00 H new ATOM 760 N ARG A 60 -2.062 11.044 -1.407 1.00 0.00 N ATOM 761 CA ARG A 60 -2.110 9.894 -2.299 1.00 0.00 C ATOM 762 C ARG A 60 -1.601 8.634 -1.604 1.00 0.00 C ATOM 763 O ARG A 60 -2.019 7.524 -1.931 1.00 0.00 O ATOM 764 CB ARG A 60 -1.282 10.166 -3.556 1.00 0.00 C ATOM 765 CG ARG A 60 -2.082 10.785 -4.690 1.00 0.00 C ATOM 766 CD ARG A 60 -1.186 11.554 -5.647 1.00 0.00 C ATOM 767 NE ARG A 60 -0.830 12.872 -5.127 1.00 0.00 N ATOM 768 CZ ARG A 60 -0.393 13.875 -5.885 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.253 13.717 -7.194 1.00 0.00 N ATOM 770 NH2 ARG A 60 -0.095 15.043 -5.330 1.00 0.00 N ATOM 0 H ARG A 60 -1.154 11.200 -0.969 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.150 9.731 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.456 10.830 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.843 9.230 -3.901 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.610 10.002 -5.234 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.838 11.454 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.278 10.981 -5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.693 11.668 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.922 13.033 -4.124 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.481 12.822 -7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.082 14.491 -7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.201 15.171 -4.324 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.240 15.812 -5.910 1.00 0.00 H new ATOM 784 N LEU A 61 -0.692 8.813 -0.651 1.00 0.00 N ATOM 785 CA LEU A 61 -0.121 7.686 0.079 1.00 0.00 C ATOM 786 C LEU A 61 -1.118 7.112 1.079 1.00 0.00 C ATOM 787 O LEU A 61 -1.887 7.845 1.704 1.00 0.00 O ATOM 788 CB LEU A 61 1.157 8.111 0.799 1.00 0.00 C ATOM 789 CG LEU A 61 2.398 8.164 -0.086 1.00 0.00 C ATOM 790 CD1 LEU A 61 2.671 9.590 -0.542 1.00 0.00 C ATOM 791 CD2 LEU A 61 3.605 7.584 0.641 1.00 0.00 C ATOM 0 H LEU A 61 -0.335 9.725 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 61 0.120 6.908 -0.645 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.999 9.095 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.342 7.419 1.621 1.00 0.00 H new ATOM 0 HG LEU A 61 2.214 7.555 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.560 9.607 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.817 9.960 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.831 10.226 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.479 7.632 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.795 8.159 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.406 6.545 0.905 1.00 0.00 H new ATOM 803 N ARG A 62 -1.092 5.793 1.223 1.00 0.00 N ATOM 804 CA ARG A 62 -1.981 5.096 2.143 1.00 0.00 C ATOM 805 C ARG A 62 -1.269 3.899 2.762 1.00 0.00 C ATOM 806 O ARG A 62 -0.601 3.137 2.063 1.00 0.00 O ATOM 807 CB ARG A 62 -3.244 4.629 1.415 1.00 0.00 C ATOM 808 CG ARG A 62 -4.298 5.715 1.251 1.00 0.00 C ATOM 809 CD ARG A 62 -4.109 6.510 -0.037 1.00 0.00 C ATOM 810 NE ARG A 62 -3.651 5.677 -1.148 1.00 0.00 N ATOM 811 CZ ARG A 62 -4.397 4.745 -1.735 1.00 0.00 C ATOM 812 NH1 ARG A 62 -5.640 4.526 -1.327 1.00 0.00 N ATOM 813 NH2 ARG A 62 -3.898 4.030 -2.737 1.00 0.00 N ATOM 0 H ARG A 62 -0.459 5.180 0.709 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.266 5.788 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.966 4.254 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.679 3.793 1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.289 5.261 1.254 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.255 6.392 2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.052 6.985 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.387 7.309 0.135 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.702 5.819 -1.494 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.029 5.074 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.207 3.810 -1.781 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.943 4.196 -3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.469 3.315 -3.188 1.00 0.00 H new ATOM 827 N VAL A 63 -1.410 3.736 4.072 1.00 0.00 N ATOM 828 CA VAL A 63 -0.774 2.626 4.773 1.00 0.00 C ATOM 829 C VAL A 63 -1.138 1.292 4.125 1.00 0.00 C ATOM 830 O VAL A 63 -2.261 1.107 3.658 1.00 0.00 O ATOM 831 CB VAL A 63 -1.163 2.605 6.266 1.00 0.00 C ATOM 832 CG1 VAL A 63 -0.459 1.470 6.996 1.00 0.00 C ATOM 833 CG2 VAL A 63 -0.832 3.942 6.910 1.00 0.00 C ATOM 0 H VAL A 63 -1.957 4.356 4.669 1.00 0.00 H new ATOM 0 HA VAL A 63 0.304 2.773 4.700 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.237 2.435 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.750 1.477 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.742 0.518 6.547 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.620 1.601 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.110 3.917 7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.237 4.134 6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.386 4.735 6.407 1.00 0.00 H new ATOM 843 N ASN A 64 -0.167 0.374 4.092 1.00 0.00 N ATOM 844 CA ASN A 64 -0.345 -0.955 3.498 1.00 0.00 C ATOM 845 C ASN A 64 0.016 -0.946 2.013 1.00 0.00 C ATOM 846 O ASN A 64 0.095 -1.999 1.380 1.00 0.00 O ATOM 847 CB ASN A 64 -1.778 -1.472 3.687 1.00 0.00 C ATOM 848 CG ASN A 64 -2.286 -1.268 5.102 1.00 0.00 C ATOM 849 OD1 ASN A 64 -1.645 -1.677 6.068 1.00 0.00 O ATOM 850 ND2 ASN A 64 -3.445 -0.631 5.228 1.00 0.00 N ATOM 0 H ASN A 64 0.765 0.531 4.476 1.00 0.00 H new ATOM 0 HA ASN A 64 0.332 -1.631 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.441 -0.960 2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.814 -2.533 3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.837 -0.464 6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.943 -0.309 4.398 1.00 0.00 H new ATOM 857 N ASP A 65 0.243 0.244 1.462 1.00 0.00 N ATOM 858 CA ASP A 65 0.605 0.377 0.056 1.00 0.00 C ATOM 859 C ASP A 65 1.940 -0.307 -0.225 1.00 0.00 C ATOM 860 O ASP A 65 2.992 0.158 0.213 1.00 0.00 O ATOM 861 CB ASP A 65 0.681 1.853 -0.335 1.00 0.00 C ATOM 862 CG ASP A 65 -0.630 2.372 -0.893 1.00 0.00 C ATOM 863 OD1 ASP A 65 -1.267 1.645 -1.685 1.00 0.00 O ATOM 864 OD2 ASP A 65 -1.019 3.505 -0.538 1.00 0.00 O ATOM 0 H ASP A 65 0.182 1.128 1.968 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.166 -0.109 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.960 2.443 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.468 1.989 -1.077 1.00 0.00 H new ATOM 869 N GLN A 66 1.886 -1.413 -0.957 1.00 0.00 N ATOM 870 CA GLN A 66 3.085 -2.168 -1.301 1.00 0.00 C ATOM 871 C GLN A 66 3.893 -1.447 -2.377 1.00 0.00 C ATOM 872 O GLN A 66 3.449 -1.317 -3.515 1.00 0.00 O ATOM 873 CB GLN A 66 2.694 -3.566 -1.781 1.00 0.00 C ATOM 874 CG GLN A 66 3.868 -4.519 -1.912 1.00 0.00 C ATOM 875 CD GLN A 66 4.712 -4.235 -3.137 1.00 0.00 C ATOM 876 OE1 GLN A 66 4.261 -3.585 -4.079 1.00 0.00 O ATOM 877 NE2 GLN A 66 5.944 -4.723 -3.128 1.00 0.00 N ATOM 0 H GLN A 66 1.021 -1.808 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 66 3.709 -2.254 -0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.970 -3.990 -1.085 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.196 -3.482 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.491 -4.447 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.497 -5.543 -1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.275 -5.257 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.561 -4.565 -3.925 1.00 0.00 H new ATOM 886 N LEU A 67 5.082 -0.974 -2.007 1.00 0.00 N ATOM 887 CA LEU A 67 5.945 -0.263 -2.945 1.00 0.00 C ATOM 888 C LEU A 67 6.443 -1.194 -4.044 1.00 0.00 C ATOM 889 O LEU A 67 6.670 -2.381 -3.811 1.00 0.00 O ATOM 890 CB LEU A 67 7.139 0.357 -2.218 1.00 0.00 C ATOM 891 CG LEU A 67 6.785 1.287 -1.057 1.00 0.00 C ATOM 892 CD1 LEU A 67 8.031 1.641 -0.258 1.00 0.00 C ATOM 893 CD2 LEU A 67 6.102 2.546 -1.572 1.00 0.00 C ATOM 0 H LEU A 67 5.467 -1.070 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 67 5.353 0.531 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.770 -0.447 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.734 0.915 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 67 6.091 0.766 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.760 2.303 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.478 0.731 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.749 2.143 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.857 3.196 -0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.772 3.070 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.187 2.274 -2.099 1.00 0.00 H new ATOM 905 N ILE A 68 6.614 -0.648 -5.243 1.00 0.00 N ATOM 906 CA ILE A 68 7.087 -1.431 -6.376 1.00 0.00 C ATOM 907 C ILE A 68 8.154 -0.677 -7.163 1.00 0.00 C ATOM 908 O ILE A 68 9.160 -1.258 -7.570 1.00 0.00 O ATOM 909 CB ILE A 68 5.929 -1.804 -7.324 1.00 0.00 C ATOM 910 CG1 ILE A 68 4.800 -2.478 -6.543 1.00 0.00 C ATOM 911 CG2 ILE A 68 6.426 -2.718 -8.438 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.597 -2.820 -7.394 1.00 0.00 C ATOM 0 H ILE A 68 6.432 0.333 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 68 7.521 -2.344 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 68 5.542 -0.891 -7.775 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.181 -3.390 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.486 -1.820 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.596 -2.972 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.201 -2.207 -9.009 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.837 -3.630 -8.004 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.836 -3.295 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.191 -1.909 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.896 -3.503 -8.189 1.00 0.00 H new ATOM 924 N ALA A 69 7.931 0.616 -7.380 1.00 0.00 N ATOM 925 CA ALA A 69 8.881 1.433 -8.124 1.00 0.00 C ATOM 926 C ALA A 69 8.927 2.862 -7.596 1.00 0.00 C ATOM 927 O ALA A 69 7.902 3.539 -7.504 1.00 0.00 O ATOM 928 CB ALA A 69 8.534 1.426 -9.604 1.00 0.00 C ATOM 0 H ALA A 69 7.105 1.117 -7.053 1.00 0.00 H new ATOM 0 HA ALA A 69 9.872 0.999 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.251 2.040 -10.149 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.571 0.404 -9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.531 1.829 -9.744 1.00 0.00 H new ATOM 934 N VAL A 70 10.130 3.317 -7.260 1.00 0.00 N ATOM 935 CA VAL A 70 10.329 4.668 -6.751 1.00 0.00 C ATOM 936 C VAL A 70 11.243 5.453 -7.687 1.00 0.00 C ATOM 937 O VAL A 70 12.331 4.992 -8.034 1.00 0.00 O ATOM 938 CB VAL A 70 10.937 4.653 -5.333 1.00 0.00 C ATOM 939 CG1 VAL A 70 12.306 3.988 -5.340 1.00 0.00 C ATOM 940 CG2 VAL A 70 11.029 6.065 -4.773 1.00 0.00 C ATOM 0 H VAL A 70 10.985 2.766 -7.332 1.00 0.00 H new ATOM 0 HA VAL A 70 9.352 5.149 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 70 10.279 4.071 -4.687 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.716 3.989 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.210 2.961 -5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.974 4.538 -6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.460 6.032 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.661 6.673 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.032 6.503 -4.724 1.00 0.00 H new ATOM 950 N ASN A 71 10.795 6.632 -8.107 1.00 0.00 N ATOM 951 CA ASN A 71 11.577 7.465 -9.018 1.00 0.00 C ATOM 952 C ASN A 71 11.793 6.742 -10.341 1.00 0.00 C ATOM 953 O ASN A 71 12.845 6.867 -10.966 1.00 0.00 O ATOM 954 CB ASN A 71 12.935 7.815 -8.400 1.00 0.00 C ATOM 955 CG ASN A 71 12.839 8.928 -7.377 1.00 0.00 C ATOM 956 OD1 ASN A 71 13.491 9.964 -7.508 1.00 0.00 O ATOM 957 ND2 ASN A 71 12.025 8.718 -6.353 1.00 0.00 N ATOM 0 H ASN A 71 9.898 7.032 -7.833 1.00 0.00 H new ATOM 0 HA ASN A 71 11.021 8.386 -9.196 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.355 6.927 -7.927 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.624 8.111 -9.191 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.919 9.431 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.505 7.843 -6.286 1.00 0.00 H new ATOM 964 N GLY A 72 10.790 5.976 -10.756 1.00 0.00 N ATOM 965 CA GLY A 72 10.893 5.232 -11.995 1.00 0.00 C ATOM 966 C GLY A 72 11.910 4.110 -11.906 1.00 0.00 C ATOM 967 O GLY A 72 12.455 3.671 -12.919 1.00 0.00 O ATOM 0 H GLY A 72 9.909 5.858 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.918 4.817 -12.250 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.172 5.910 -12.802 1.00 0.00 H new ATOM 971 N GLU A 73 12.168 3.648 -10.683 1.00 0.00 N ATOM 972 CA GLU A 73 13.128 2.575 -10.455 1.00 0.00 C ATOM 973 C GLU A 73 12.494 1.441 -9.656 1.00 0.00 C ATOM 974 O GLU A 73 12.406 1.508 -8.429 1.00 0.00 O ATOM 975 CB GLU A 73 14.358 3.106 -9.714 1.00 0.00 C ATOM 976 CG GLU A 73 14.796 4.488 -10.171 1.00 0.00 C ATOM 977 CD GLU A 73 16.300 4.665 -10.131 1.00 0.00 C ATOM 978 OE1 GLU A 73 16.913 4.315 -9.100 1.00 0.00 O ATOM 979 OE2 GLU A 73 16.868 5.153 -11.131 1.00 0.00 O ATOM 0 H GLU A 73 11.724 4.002 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 73 13.437 2.188 -11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.143 3.137 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.184 2.408 -9.852 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.440 4.660 -11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.328 5.241 -9.537 1.00 0.00 H new ATOM 986 N SER A 74 12.055 0.402 -10.357 1.00 0.00 N ATOM 987 CA SER A 74 11.431 -0.745 -9.710 1.00 0.00 C ATOM 988 C SER A 74 12.399 -1.413 -8.741 1.00 0.00 C ATOM 989 O SER A 74 13.577 -1.593 -9.050 1.00 0.00 O ATOM 990 CB SER A 74 10.959 -1.754 -10.759 1.00 0.00 C ATOM 991 OG SER A 74 9.952 -2.604 -10.234 1.00 0.00 O ATOM 0 H SER A 74 12.120 0.331 -11.372 1.00 0.00 H new ATOM 0 HA SER A 74 10.568 -0.390 -9.146 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.574 -1.224 -11.630 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.804 -2.353 -11.098 1.00 0.00 H new ATOM 0 HG SER A 74 9.639 -2.249 -9.376 1.00 0.00 H new ATOM 997 N LEU A 75 11.898 -1.777 -7.565 1.00 0.00 N ATOM 998 CA LEU A 75 12.724 -2.423 -6.550 1.00 0.00 C ATOM 999 C LEU A 75 12.542 -3.940 -6.569 1.00 0.00 C ATOM 1000 O LEU A 75 12.974 -4.636 -5.650 1.00 0.00 O ATOM 1001 CB LEU A 75 12.386 -1.879 -5.158 1.00 0.00 C ATOM 1002 CG LEU A 75 11.927 -0.416 -5.117 1.00 0.00 C ATOM 1003 CD1 LEU A 75 10.501 -0.313 -4.598 1.00 0.00 C ATOM 1004 CD2 LEU A 75 12.868 0.417 -4.255 1.00 0.00 C ATOM 0 H LEU A 75 10.926 -1.636 -7.291 1.00 0.00 H new ATOM 0 HA LEU A 75 13.765 -2.199 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.602 -2.500 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.265 -1.984 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 75 11.951 -0.024 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.196 0.733 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.834 -0.873 -5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.450 -0.726 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.526 1.452 -4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.877 0.021 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.875 0.375 -4.670 1.00 0.00 H new ATOM 1016 N LEU A 76 11.904 -4.451 -7.620 1.00 0.00 N ATOM 1017 CA LEU A 76 11.673 -5.884 -7.749 1.00 0.00 C ATOM 1018 C LEU A 76 12.993 -6.643 -7.867 1.00 0.00 C ATOM 1019 O LEU A 76 13.064 -7.833 -7.559 1.00 0.00 O ATOM 1020 CB LEU A 76 10.793 -6.173 -8.966 1.00 0.00 C ATOM 1021 CG LEU A 76 9.288 -6.158 -8.694 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.509 -6.198 -10.001 1.00 0.00 C ATOM 1023 CD2 LEU A 76 8.897 -7.327 -7.803 1.00 0.00 C ATOM 0 H LEU A 76 11.539 -3.893 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 76 11.160 -6.225 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.015 -5.437 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.065 -7.149 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 76 9.040 -5.232 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.440 -6.187 -9.788 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.768 -5.329 -10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.761 -7.107 -10.547 1.00 0.00 H new ATOM 0 HD21 LEU A 76 7.823 -7.301 -7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 76 9.159 -8.263 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 76 9.429 -7.255 -6.854 1.00 0.00 H new ATOM 1035 N GLY A 77 14.036 -5.948 -8.315 1.00 0.00 N ATOM 1036 CA GLY A 77 15.336 -6.577 -8.463 1.00 0.00 C ATOM 1037 C GLY A 77 16.213 -6.407 -7.236 1.00 0.00 C ATOM 1038 O GLY A 77 17.436 -6.522 -7.322 1.00 0.00 O ATOM 0 H GLY A 77 14.003 -4.963 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.200 -7.640 -8.663 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.844 -6.152 -9.329 1.00 0.00 H new ATOM 1042 N LYS A 78 15.590 -6.132 -6.095 1.00 0.00 N ATOM 1043 CA LYS A 78 16.328 -5.946 -4.849 1.00 0.00 C ATOM 1044 C LYS A 78 15.486 -6.351 -3.650 1.00 0.00 C ATOM 1045 O LYS A 78 14.276 -6.550 -3.759 1.00 0.00 O ATOM 1046 CB LYS A 78 16.784 -4.493 -4.706 1.00 0.00 C ATOM 1047 CG LYS A 78 15.642 -3.507 -4.511 1.00 0.00 C ATOM 1048 CD LYS A 78 16.144 -2.070 -4.478 1.00 0.00 C ATOM 1049 CE LYS A 78 16.953 -1.729 -5.721 1.00 0.00 C ATOM 1050 NZ LYS A 78 18.408 -1.623 -5.424 1.00 0.00 N ATOM 0 H LYS A 78 14.579 -6.033 -6.006 1.00 0.00 H new ATOM 0 HA LYS A 78 17.208 -6.589 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 78 17.465 -4.418 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.348 -4.210 -5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.919 -3.622 -5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.120 -3.733 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.296 -1.390 -4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 78 16.759 -1.919 -3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.792 -2.494 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.598 -0.787 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.944 -1.610 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.592 -0.746 -4.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.706 -2.439 -4.853 1.00 0.00 H new ATOM 1064 N ALA A 79 16.144 -6.475 -2.508 1.00 0.00 N ATOM 1065 CA ALA A 79 15.477 -6.861 -1.276 1.00 0.00 C ATOM 1066 C ALA A 79 14.727 -5.684 -0.664 1.00 0.00 C ATOM 1067 O ALA A 79 14.794 -4.564 -1.170 1.00 0.00 O ATOM 1068 CB ALA A 79 16.497 -7.417 -0.301 1.00 0.00 C ATOM 0 H ALA A 79 17.146 -6.312 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 79 14.742 -7.633 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.997 -7.707 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.982 -8.289 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.246 -6.656 -0.085 1.00 0.00 H new ATOM 1074 N ASN A 80 14.006 -5.944 0.421 1.00 0.00 N ATOM 1075 CA ASN A 80 13.236 -4.900 1.090 1.00 0.00 C ATOM 1076 C ASN A 80 14.144 -3.790 1.608 1.00 0.00 C ATOM 1077 O ASN A 80 13.952 -2.623 1.276 1.00 0.00 O ATOM 1078 CB ASN A 80 12.411 -5.478 2.244 1.00 0.00 C ATOM 1079 CG ASN A 80 13.162 -6.525 3.043 1.00 0.00 C ATOM 1080 OD1 ASN A 80 14.255 -6.275 3.548 1.00 0.00 O ATOM 1081 ND2 ASN A 80 12.573 -7.708 3.162 1.00 0.00 N ATOM 0 H ASN A 80 13.938 -6.864 0.855 1.00 0.00 H new ATOM 0 HA ASN A 80 12.556 -4.476 0.351 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.110 -4.669 2.909 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.498 -5.919 1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.028 -8.453 3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.665 -7.872 2.726 1.00 0.00 H new ATOM 1088 N GLN A 81 15.126 -4.156 2.424 1.00 0.00 N ATOM 1089 CA GLN A 81 16.054 -3.182 2.990 1.00 0.00 C ATOM 1090 C GLN A 81 16.704 -2.337 1.896 1.00 0.00 C ATOM 1091 O GLN A 81 16.899 -1.131 2.057 1.00 0.00 O ATOM 1092 CB GLN A 81 17.119 -3.889 3.840 1.00 0.00 C ATOM 1093 CG GLN A 81 18.332 -4.375 3.062 1.00 0.00 C ATOM 1094 CD GLN A 81 18.056 -5.640 2.273 1.00 0.00 C ATOM 1095 OE1 GLN A 81 17.176 -6.426 2.626 1.00 0.00 O ATOM 1096 NE2 GLN A 81 18.814 -5.845 1.202 1.00 0.00 N ATOM 0 H GLN A 81 15.301 -5.120 2.709 1.00 0.00 H new ATOM 0 HA GLN A 81 15.488 -2.509 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 81 17.454 -3.206 4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.659 -4.742 4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.658 -3.590 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 81 19.154 -4.556 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.531 -5.166 0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 81 18.679 -6.681 0.634 1.00 0.00 H new ATOM 1105 N GLU A 82 17.029 -2.978 0.781 1.00 0.00 N ATOM 1106 CA GLU A 82 17.647 -2.294 -0.345 1.00 0.00 C ATOM 1107 C GLU A 82 16.642 -1.376 -1.017 1.00 0.00 C ATOM 1108 O GLU A 82 16.982 -0.282 -1.467 1.00 0.00 O ATOM 1109 CB GLU A 82 18.196 -3.307 -1.352 1.00 0.00 C ATOM 1110 CG GLU A 82 19.710 -3.285 -1.474 1.00 0.00 C ATOM 1111 CD GLU A 82 20.230 -1.980 -2.045 1.00 0.00 C ATOM 1112 OE1 GLU A 82 19.948 -0.918 -1.451 1.00 0.00 O ATOM 1113 OE2 GLU A 82 20.919 -2.020 -3.086 1.00 0.00 O ATOM 0 H GLU A 82 16.874 -3.975 0.633 1.00 0.00 H new ATOM 0 HA GLU A 82 18.477 -1.693 0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.878 -4.307 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 82 17.758 -3.108 -2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 82 20.152 -3.449 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 82 20.032 -4.109 -2.110 1.00 0.00 H new ATOM 1120 N ALA A 83 15.401 -1.835 -1.082 1.00 0.00 N ATOM 1121 CA ALA A 83 14.340 -1.065 -1.701 1.00 0.00 C ATOM 1122 C ALA A 83 14.005 0.164 -0.866 1.00 0.00 C ATOM 1123 O ALA A 83 13.914 1.276 -1.390 1.00 0.00 O ATOM 1124 CB ALA A 83 13.109 -1.929 -1.909 1.00 0.00 C ATOM 0 H ALA A 83 15.107 -2.739 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 83 14.688 -0.724 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.322 -1.335 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.360 -2.770 -2.556 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.760 -2.303 -0.946 1.00 0.00 H new ATOM 1130 N MET A 84 13.839 -0.037 0.437 1.00 0.00 N ATOM 1131 CA MET A 84 13.532 1.066 1.338 1.00 0.00 C ATOM 1132 C MET A 84 14.679 2.066 1.344 1.00 0.00 C ATOM 1133 O MET A 84 14.472 3.265 1.524 1.00 0.00 O ATOM 1134 CB MET A 84 13.263 0.560 2.752 1.00 0.00 C ATOM 1135 CG MET A 84 14.396 -0.260 3.340 1.00 0.00 C ATOM 1136 SD MET A 84 13.995 -0.902 4.976 1.00 0.00 S ATOM 1137 CE MET A 84 12.320 -1.472 4.703 1.00 0.00 C ATOM 0 H MET A 84 13.911 -0.948 0.890 1.00 0.00 H new ATOM 0 HA MET A 84 12.629 1.560 0.980 1.00 0.00 H new ATOM 0 HB2 MET A 84 13.071 1.414 3.402 1.00 0.00 H new ATOM 0 HB3 MET A 84 12.356 -0.045 2.744 1.00 0.00 H new ATOM 0 HG2 MET A 84 14.626 -1.090 2.672 1.00 0.00 H new ATOM 0 HG3 MET A 84 15.293 0.356 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 84 12.002 -2.084 5.547 1.00 0.00 H new ATOM 0 HE2 MET A 84 11.655 -0.614 4.606 1.00 0.00 H new ATOM 0 HE3 MET A 84 12.282 -2.065 3.790 1.00 0.00 H new ATOM 1147 N GLU A 85 15.890 1.563 1.119 1.00 0.00 N ATOM 1148 CA GLU A 85 17.072 2.411 1.070 1.00 0.00 C ATOM 1149 C GLU A 85 17.142 3.100 -0.289 1.00 0.00 C ATOM 1150 O GLU A 85 17.561 4.252 -0.397 1.00 0.00 O ATOM 1151 CB GLU A 85 18.334 1.575 1.318 1.00 0.00 C ATOM 1152 CG GLU A 85 19.611 2.196 0.765 1.00 0.00 C ATOM 1153 CD GLU A 85 20.782 2.065 1.720 1.00 0.00 C ATOM 1154 OE1 GLU A 85 20.784 1.115 2.530 1.00 0.00 O ATOM 1155 OE2 GLU A 85 21.698 2.912 1.656 1.00 0.00 O ATOM 0 H GLU A 85 16.076 0.572 0.968 1.00 0.00 H new ATOM 0 HA GLU A 85 17.009 3.169 1.850 1.00 0.00 H new ATOM 0 HB2 GLU A 85 18.452 1.424 2.391 1.00 0.00 H new ATOM 0 HB3 GLU A 85 18.198 0.590 0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.863 1.718 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.436 3.251 0.553 1.00 0.00 H new ATOM 1162 N THR A 86 16.719 2.377 -1.321 1.00 0.00 N ATOM 1163 CA THR A 86 16.718 2.900 -2.678 1.00 0.00 C ATOM 1164 C THR A 86 15.693 4.023 -2.809 1.00 0.00 C ATOM 1165 O THR A 86 15.926 5.005 -3.511 1.00 0.00 O ATOM 1166 CB THR A 86 16.417 1.772 -3.673 1.00 0.00 C ATOM 1167 OG1 THR A 86 17.586 1.019 -3.942 1.00 0.00 O ATOM 1168 CG2 THR A 86 15.867 2.249 -5.004 1.00 0.00 C ATOM 0 H THR A 86 16.371 1.422 -1.240 1.00 0.00 H new ATOM 0 HA THR A 86 17.703 3.308 -2.904 1.00 0.00 H new ATOM 0 HB THR A 86 15.650 1.169 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 86 17.735 0.376 -3.217 1.00 0.00 H new ATOM 0 HG21 THR A 86 15.681 1.391 -5.650 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.934 2.788 -4.840 1.00 0.00 H new ATOM 0 HG23 THR A 86 16.590 2.911 -5.480 1.00 0.00 H new ATOM 1176 N LEU A 87 14.571 3.886 -2.111 1.00 0.00 N ATOM 1177 CA LEU A 87 13.535 4.907 -2.140 1.00 0.00 C ATOM 1178 C LEU A 87 13.945 6.058 -1.240 1.00 0.00 C ATOM 1179 O LEU A 87 13.661 7.220 -1.527 1.00 0.00 O ATOM 1180 CB LEU A 87 12.176 4.341 -1.715 1.00 0.00 C ATOM 1181 CG LEU A 87 12.130 3.687 -0.334 1.00 0.00 C ATOM 1182 CD1 LEU A 87 12.032 4.743 0.758 1.00 0.00 C ATOM 1183 CD2 LEU A 87 10.955 2.723 -0.252 1.00 0.00 C ATOM 0 H LEU A 87 14.358 3.081 -1.521 1.00 0.00 H new ATOM 0 HA LEU A 87 13.425 5.266 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.444 5.148 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.863 3.605 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 87 13.053 3.128 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.000 4.256 1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.901 5.400 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 87 11.125 5.330 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.931 2.262 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.026 3.267 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.066 1.949 -1.011 1.00 0.00 H new ATOM 1195 N ARG A 88 14.638 5.717 -0.159 1.00 0.00 N ATOM 1196 CA ARG A 88 15.125 6.701 0.793 1.00 0.00 C ATOM 1197 C ARG A 88 15.990 7.736 0.078 1.00 0.00 C ATOM 1198 O ARG A 88 15.787 8.942 0.219 1.00 0.00 O ATOM 1199 CB ARG A 88 15.933 5.999 1.880 1.00 0.00 C ATOM 1200 CG ARG A 88 15.431 6.286 3.284 1.00 0.00 C ATOM 1201 CD ARG A 88 16.485 5.961 4.332 1.00 0.00 C ATOM 1202 NE ARG A 88 17.181 7.158 4.798 1.00 0.00 N ATOM 1203 CZ ARG A 88 17.866 7.220 5.938 1.00 0.00 C ATOM 1204 NH1 ARG A 88 17.951 6.159 6.730 1.00 0.00 N ATOM 1205 NH2 ARG A 88 18.469 8.349 6.287 1.00 0.00 N ATOM 0 H ARG A 88 14.876 4.754 0.079 1.00 0.00 H new ATOM 0 HA ARG A 88 14.278 7.212 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.906 4.923 1.705 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.976 6.308 1.804 1.00 0.00 H new ATOM 0 HG2 ARG A 88 15.150 7.336 3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.532 5.700 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.013 5.463 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.208 5.261 3.914 1.00 0.00 H new ATOM 0 HE ARG A 88 17.140 7.995 4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 88 17.490 5.288 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 88 18.478 6.214 7.602 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.407 9.168 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 88 18.994 8.398 7.160 1.00 0.00 H new ATOM 1219 N ARG A 89 16.943 7.247 -0.705 1.00 0.00 N ATOM 1220 CA ARG A 89 17.824 8.113 -1.468 1.00 0.00 C ATOM 1221 C ARG A 89 17.045 8.733 -2.624 1.00 0.00 C ATOM 1222 O ARG A 89 17.059 9.945 -2.817 1.00 0.00 O ATOM 1223 CB ARG A 89 19.049 7.316 -1.951 1.00 0.00 C ATOM 1224 CG ARG A 89 19.163 7.147 -3.457 1.00 0.00 C ATOM 1225 CD ARG A 89 18.519 5.850 -3.912 1.00 0.00 C ATOM 1226 NE ARG A 89 19.386 5.090 -4.807 1.00 0.00 N ATOM 1227 CZ ARG A 89 19.673 5.460 -6.053 1.00 0.00 C ATOM 1228 NH1 ARG A 89 19.168 6.578 -6.556 1.00 0.00 N ATOM 1229 NH2 ARG A 89 20.473 4.708 -6.800 1.00 0.00 N ATOM 0 H ARG A 89 17.124 6.251 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 89 18.193 8.925 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 89 19.950 7.811 -1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 89 19.022 6.328 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 89 18.685 7.989 -3.958 1.00 0.00 H new ATOM 0 HG3 ARG A 89 20.213 7.157 -3.749 1.00 0.00 H new ATOM 0 HD2 ARG A 89 18.276 5.242 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.580 6.071 -4.419 1.00 0.00 H new ATOM 0 HE ARG A 89 19.796 4.224 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.555 7.162 -5.987 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.393 6.854 -7.512 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.867 3.848 -6.419 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.694 4.991 -7.755 1.00 0.00 H new ATOM 1243 N SER A 90 16.342 7.895 -3.376 1.00 0.00 N ATOM 1244 CA SER A 90 15.545 8.370 -4.499 1.00 0.00 C ATOM 1245 C SER A 90 14.571 9.452 -4.046 1.00 0.00 C ATOM 1246 O SER A 90 14.209 10.338 -4.818 1.00 0.00 O ATOM 1247 CB SER A 90 14.777 7.211 -5.138 1.00 0.00 C ATOM 1248 OG SER A 90 15.518 6.624 -6.195 1.00 0.00 O ATOM 0 H SER A 90 16.308 6.886 -3.229 1.00 0.00 H new ATOM 0 HA SER A 90 16.221 8.796 -5.240 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.557 6.457 -4.382 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.820 7.571 -5.517 1.00 0.00 H new ATOM 0 HG SER A 90 16.162 7.275 -6.544 1.00 0.00 H new ATOM 1254 N MET A 91 14.152 9.373 -2.786 1.00 0.00 N ATOM 1255 CA MET A 91 13.223 10.349 -2.230 1.00 0.00 C ATOM 1256 C MET A 91 13.965 11.527 -1.604 1.00 0.00 C ATOM 1257 O MET A 91 13.518 12.670 -1.685 1.00 0.00 O ATOM 1258 CB MET A 91 12.311 9.684 -1.190 1.00 0.00 C ATOM 1259 CG MET A 91 12.962 9.457 0.167 1.00 0.00 C ATOM 1260 SD MET A 91 11.775 8.984 1.441 1.00 0.00 S ATOM 1261 CE MET A 91 10.487 8.229 0.452 1.00 0.00 C ATOM 0 H MET A 91 14.441 8.645 -2.133 1.00 0.00 H new ATOM 0 HA MET A 91 12.611 10.732 -3.047 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.424 10.303 -1.054 1.00 0.00 H new ATOM 0 HB3 MET A 91 11.973 8.725 -1.582 1.00 0.00 H new ATOM 0 HG2 MET A 91 13.720 8.679 0.076 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.476 10.368 0.475 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.699 7.855 1.105 1.00 0.00 H new ATOM 0 HE2 MET A 91 10.071 8.970 -0.231 1.00 0.00 H new ATOM 0 HE3 MET A 91 10.906 7.402 -0.121 1.00 0.00 H new ATOM 1271 N SER A 92 15.087 11.231 -0.958 1.00 0.00 N ATOM 1272 CA SER A 92 15.880 12.258 -0.288 1.00 0.00 C ATOM 1273 C SER A 92 17.216 12.495 -0.987 1.00 0.00 C ATOM 1274 O SER A 92 18.233 12.714 -0.328 1.00 0.00 O ATOM 1275 CB SER A 92 16.127 11.846 1.163 1.00 0.00 C ATOM 1276 OG SER A 92 15.681 12.845 2.063 1.00 0.00 O ATOM 0 H SER A 92 15.469 10.288 -0.883 1.00 0.00 H new ATOM 0 HA SER A 92 15.317 13.190 -0.325 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.610 10.909 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 92 17.191 11.664 1.316 1.00 0.00 H new ATOM 0 HG SER A 92 15.850 12.555 2.984 1.00 0.00 H new ATOM 1282 N THR A 93 17.224 12.450 -2.314 1.00 0.00 N ATOM 1283 CA THR A 93 18.459 12.660 -3.054 1.00 0.00 C ATOM 1284 C THR A 93 18.203 12.991 -4.522 1.00 0.00 C ATOM 1285 O THR A 93 18.865 13.855 -5.093 1.00 0.00 O ATOM 1286 CB THR A 93 19.338 11.418 -2.945 1.00 0.00 C ATOM 1287 OG1 THR A 93 19.720 11.186 -1.601 1.00 0.00 O ATOM 1288 CG2 THR A 93 20.594 11.500 -3.770 1.00 0.00 C ATOM 0 H THR A 93 16.402 12.273 -2.891 1.00 0.00 H new ATOM 0 HA THR A 93 18.968 13.517 -2.613 1.00 0.00 H new ATOM 0 HB THR A 93 18.726 10.601 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 93 19.600 12.008 -1.080 1.00 0.00 H new ATOM 0 HG21 THR A 93 21.172 10.584 -3.646 1.00 0.00 H new ATOM 0 HG22 THR A 93 20.332 11.624 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 93 21.190 12.352 -3.442 1.00 0.00 H new ATOM 1296 N GLU A 94 17.252 12.295 -5.131 1.00 0.00 N ATOM 1297 CA GLU A 94 16.931 12.520 -6.536 1.00 0.00 C ATOM 1298 C GLU A 94 15.552 13.144 -6.681 1.00 0.00 C ATOM 1299 O GLU A 94 15.375 14.135 -7.388 1.00 0.00 O ATOM 1300 CB GLU A 94 16.993 11.205 -7.313 1.00 0.00 C ATOM 1301 CG GLU A 94 18.358 10.541 -7.274 1.00 0.00 C ATOM 1302 CD GLU A 94 18.309 9.084 -7.691 1.00 0.00 C ATOM 1303 OE1 GLU A 94 17.404 8.363 -7.222 1.00 0.00 O ATOM 1304 OE2 GLU A 94 19.176 8.665 -8.486 1.00 0.00 O ATOM 0 H GLU A 94 16.691 11.573 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 94 17.669 13.210 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.252 10.517 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.719 11.393 -8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.040 11.081 -7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 94 18.764 10.613 -6.265 1.00 0.00 H new ATOM 1311 N GLY A 95 14.584 12.556 -5.999 1.00 0.00 N ATOM 1312 CA GLY A 95 13.229 13.062 -6.050 1.00 0.00 C ATOM 1313 C GLY A 95 13.090 14.392 -5.343 1.00 0.00 C ATOM 1314 O GLY A 95 12.149 15.142 -5.597 1.00 0.00 O ATOM 0 H GLY A 95 14.712 11.734 -5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.923 13.171 -7.090 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.555 12.337 -5.594 1.00 0.00 H new ATOM 1318 N ASN A 96 14.033 14.693 -4.457 1.00 0.00 N ATOM 1319 CA ASN A 96 14.004 15.950 -3.723 1.00 0.00 C ATOM 1320 C ASN A 96 14.617 17.063 -4.570 1.00 0.00 C ATOM 1321 O ASN A 96 14.207 18.221 -4.485 1.00 0.00 O ATOM 1322 CB ASN A 96 14.736 15.796 -2.383 1.00 0.00 C ATOM 1323 CG ASN A 96 15.328 17.096 -1.869 1.00 0.00 C ATOM 1324 OD1 ASN A 96 16.452 17.123 -1.368 1.00 0.00 O ATOM 1325 ND2 ASN A 96 14.572 18.178 -1.992 1.00 0.00 N ATOM 0 H ASN A 96 14.822 14.087 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 96 12.970 16.220 -3.509 1.00 0.00 H new ATOM 0 HB2 ASN A 96 14.041 15.403 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 96 15.533 15.061 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 96 14.916 19.081 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 96 13.646 18.108 -2.414 1.00 0.00 H new ATOM 1332 N LYS A 97 15.596 16.695 -5.395 1.00 0.00 N ATOM 1333 CA LYS A 97 16.271 17.647 -6.275 1.00 0.00 C ATOM 1334 C LYS A 97 15.282 18.629 -6.895 1.00 0.00 C ATOM 1335 O LYS A 97 15.590 19.805 -7.088 1.00 0.00 O ATOM 1336 CB LYS A 97 17.012 16.903 -7.374 1.00 0.00 C ATOM 1337 CG LYS A 97 18.344 16.352 -6.913 1.00 0.00 C ATOM 1338 CD LYS A 97 19.065 15.652 -8.040 1.00 0.00 C ATOM 1339 CE LYS A 97 19.691 16.645 -9.004 1.00 0.00 C ATOM 1340 NZ LYS A 97 20.632 15.983 -9.950 1.00 0.00 N ATOM 0 H LYS A 97 15.941 15.738 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 97 16.981 18.214 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 97 16.390 16.084 -7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.174 17.575 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.963 17.163 -6.530 1.00 0.00 H new ATOM 0 HG3 LYS A 97 18.187 15.655 -6.090 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.840 15.004 -7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.366 15.012 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.905 17.149 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 97 20.222 17.412 -8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.038 16.695 -10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.396 15.523 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.120 15.268 -10.506 1.00 0.00 H new ATOM 1354 N ARG A 98 14.088 18.131 -7.199 1.00 0.00 N ATOM 1355 CA ARG A 98 13.044 18.953 -7.791 1.00 0.00 C ATOM 1356 C ARG A 98 12.023 19.369 -6.737 1.00 0.00 C ATOM 1357 O ARG A 98 11.423 20.441 -6.828 1.00 0.00 O ATOM 1358 CB ARG A 98 12.347 18.197 -8.922 1.00 0.00 C ATOM 1359 CG ARG A 98 11.794 16.850 -8.493 1.00 0.00 C ATOM 1360 CD ARG A 98 12.425 15.712 -9.278 1.00 0.00 C ATOM 1361 NE ARG A 98 11.592 14.512 -9.270 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.712 13.519 -10.149 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.629 13.580 -11.107 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.914 12.463 -10.071 1.00 0.00 N ATOM 0 H ARG A 98 13.821 17.159 -7.044 1.00 0.00 H new ATOM 0 HA ARG A 98 13.509 19.850 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.533 18.809 -9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 98 13.053 18.049 -9.739 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.976 16.703 -7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.714 16.837 -8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.592 16.030 -10.307 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.402 15.478 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 98 10.876 14.430 -8.548 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.245 14.390 -11.172 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.717 12.817 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.207 12.411 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.007 11.703 -10.745 1.00 0.00 H new ATOM 1378 N GLY A 99 11.831 18.514 -5.736 1.00 0.00 N ATOM 1379 CA GLY A 99 10.884 18.810 -4.679 1.00 0.00 C ATOM 1380 C GLY A 99 9.861 17.704 -4.482 1.00 0.00 C ATOM 1381 O GLY A 99 9.061 17.758 -3.550 1.00 0.00 O ATOM 0 H GLY A 99 12.315 17.622 -5.640 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.425 18.969 -3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.367 19.741 -4.910 1.00 0.00 H new ATOM 1385 N MET A 100 9.887 16.704 -5.360 1.00 0.00 N ATOM 1386 CA MET A 100 8.953 15.587 -5.274 1.00 0.00 C ATOM 1387 C MET A 100 9.536 14.332 -5.914 1.00 0.00 C ATOM 1388 O MET A 100 10.241 14.403 -6.920 1.00 0.00 O ATOM 1389 CB MET A 100 7.633 15.948 -5.951 1.00 0.00 C ATOM 1390 CG MET A 100 7.765 16.150 -7.451 1.00 0.00 C ATOM 1391 SD MET A 100 6.675 15.080 -8.402 1.00 0.00 S ATOM 1392 CE MET A 100 7.646 13.576 -8.445 1.00 0.00 C ATOM 0 H MET A 100 10.544 16.645 -6.138 1.00 0.00 H new ATOM 0 HA MET A 100 8.772 15.382 -4.219 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.906 15.158 -5.760 1.00 0.00 H new ATOM 0 HB3 MET A 100 7.239 16.859 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.546 17.190 -7.693 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.797 15.964 -7.748 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.258 12.915 -9.220 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.686 13.820 -8.663 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.586 13.076 -7.478 1.00 0.00 H new ATOM 1402 N ILE A 101 9.236 13.184 -5.318 1.00 0.00 N ATOM 1403 CA ILE A 101 9.728 11.909 -5.815 1.00 0.00 C ATOM 1404 C ILE A 101 8.604 11.078 -6.430 1.00 0.00 C ATOM 1405 O ILE A 101 7.462 11.124 -5.973 1.00 0.00 O ATOM 1406 CB ILE A 101 10.425 11.097 -4.691 1.00 0.00 C ATOM 1407 CG1 ILE A 101 9.777 9.718 -4.513 1.00 0.00 C ATOM 1408 CG2 ILE A 101 10.420 11.861 -3.375 1.00 0.00 C ATOM 1409 CD1 ILE A 101 10.413 8.887 -3.424 1.00 0.00 C ATOM 0 H ILE A 101 8.651 13.112 -4.486 1.00 0.00 H new ATOM 0 HA ILE A 101 10.460 12.132 -6.591 1.00 0.00 H new ATOM 0 HB ILE A 101 11.461 10.947 -4.995 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.719 9.850 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.836 9.174 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 101 10.915 11.266 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 101 10.950 12.805 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 101 9.392 12.059 -3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.903 7.926 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.465 8.724 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.330 9.410 -2.472 1.00 0.00 H new ATOM 1421 N GLN A 102 8.946 10.300 -7.452 1.00 0.00 N ATOM 1422 CA GLN A 102 7.976 9.437 -8.110 1.00 0.00 C ATOM 1423 C GLN A 102 7.767 8.178 -7.277 1.00 0.00 C ATOM 1424 O GLN A 102 8.707 7.672 -6.664 1.00 0.00 O ATOM 1425 CB GLN A 102 8.451 9.068 -9.517 1.00 0.00 C ATOM 1426 CG GLN A 102 7.330 8.994 -10.539 1.00 0.00 C ATOM 1427 CD GLN A 102 7.049 7.574 -10.993 1.00 0.00 C ATOM 1428 OE1 GLN A 102 5.907 7.118 -10.971 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.095 6.869 -11.406 1.00 0.00 N ATOM 0 H GLN A 102 9.888 10.251 -7.841 1.00 0.00 H new ATOM 0 HA GLN A 102 7.030 9.971 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.185 9.803 -9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.960 8.105 -9.478 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.423 9.421 -10.110 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.591 9.603 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.025 7.289 -11.407 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.969 5.908 -11.722 1.00 0.00 H new ATOM 1438 N LEU A 103 6.537 7.683 -7.240 1.00 0.00 N ATOM 1439 CA LEU A 103 6.233 6.494 -6.455 1.00 0.00 C ATOM 1440 C LEU A 103 5.294 5.549 -7.195 1.00 0.00 C ATOM 1441 O LEU A 103 4.435 5.979 -7.964 1.00 0.00 O ATOM 1442 CB LEU A 103 5.610 6.899 -5.116 1.00 0.00 C ATOM 1443 CG LEU A 103 6.557 6.856 -3.918 1.00 0.00 C ATOM 1444 CD1 LEU A 103 6.276 8.012 -2.975 1.00 0.00 C ATOM 1445 CD2 LEU A 103 6.433 5.526 -3.194 1.00 0.00 C ATOM 0 H LEU A 103 5.741 8.081 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 103 7.170 5.964 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.213 7.910 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.764 6.242 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 103 7.580 6.955 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.960 7.965 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.417 8.955 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.249 7.947 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.114 5.510 -2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.409 5.397 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.687 4.715 -3.877 1.00 0.00 H new ATOM 1457 N ILE A 104 5.462 4.258 -6.936 1.00 0.00 N ATOM 1458 CA ILE A 104 4.631 3.230 -7.546 1.00 0.00 C ATOM 1459 C ILE A 104 4.393 2.096 -6.557 1.00 0.00 C ATOM 1460 O ILE A 104 5.324 1.386 -6.178 1.00 0.00 O ATOM 1461 CB ILE A 104 5.278 2.657 -8.826 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.558 3.778 -9.829 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.378 1.599 -9.451 1.00 0.00 C ATOM 1464 CD1 ILE A 104 6.443 3.349 -10.979 1.00 0.00 C ATOM 0 H ILE A 104 6.174 3.897 -6.301 1.00 0.00 H new ATOM 0 HA ILE A 104 3.684 3.695 -7.818 1.00 0.00 H new ATOM 0 HB ILE A 104 6.224 2.189 -8.555 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.611 4.145 -10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.030 4.611 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.850 1.206 -10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.222 0.788 -8.740 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.417 2.045 -9.709 1.00 0.00 H new ATOM 0 HD11 ILE A 104 6.600 4.192 -11.651 1.00 0.00 H new ATOM 0 HD12 ILE A 104 7.404 3.009 -10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.963 2.536 -11.523 1.00 0.00 H new ATOM 1476 N VAL A 105 3.146 1.940 -6.132 1.00 0.00 N ATOM 1477 CA VAL A 105 2.795 0.899 -5.174 1.00 0.00 C ATOM 1478 C VAL A 105 1.689 -0.004 -5.711 1.00 0.00 C ATOM 1479 O VAL A 105 1.195 0.196 -6.819 1.00 0.00 O ATOM 1480 CB VAL A 105 2.342 1.503 -3.830 1.00 0.00 C ATOM 1481 CG1 VAL A 105 3.443 2.366 -3.233 1.00 0.00 C ATOM 1482 CG2 VAL A 105 1.062 2.309 -4.007 1.00 0.00 C ATOM 0 H VAL A 105 2.363 2.519 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 105 3.695 0.305 -5.015 1.00 0.00 H new ATOM 0 HB VAL A 105 2.136 0.685 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.104 2.783 -2.285 1.00 0.00 H new ATOM 0 HG12 VAL A 105 4.331 1.757 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.683 3.177 -3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.759 2.727 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.237 3.118 -4.716 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.272 1.660 -4.385 1.00 0.00 H new ATOM 1492 N ALA A 106 1.307 -0.995 -4.916 1.00 0.00 N ATOM 1493 CA ALA A 106 0.256 -1.926 -5.306 1.00 0.00 C ATOM 1494 C ALA A 106 -0.529 -2.402 -4.089 1.00 0.00 C ATOM 1495 O ALA A 106 0.046 -2.663 -3.031 1.00 0.00 O ATOM 1496 CB ALA A 106 0.851 -3.111 -6.052 1.00 0.00 C ATOM 0 H ALA A 106 1.710 -1.175 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.433 -1.404 -5.970 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.055 -3.798 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.363 -2.758 -6.947 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.562 -3.627 -5.407 1.00 0.00 H new ATOM 1502 N ARG A 107 -1.843 -2.514 -4.243 1.00 0.00 N ATOM 1503 CA ARG A 107 -2.703 -2.963 -3.151 1.00 0.00 C ATOM 1504 C ARG A 107 -3.958 -3.643 -3.688 1.00 0.00 C ATOM 1505 O ARG A 107 -4.148 -3.754 -4.900 1.00 0.00 O ATOM 1506 CB ARG A 107 -3.090 -1.790 -2.244 1.00 0.00 C ATOM 1507 CG ARG A 107 -3.315 -0.482 -2.984 1.00 0.00 C ATOM 1508 CD ARG A 107 -4.740 -0.373 -3.503 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.602 0.362 -2.581 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.865 0.689 -2.846 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.418 0.346 -4.003 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.578 1.358 -1.951 1.00 0.00 N ATOM 0 H ARG A 107 -2.337 -2.301 -5.110 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.140 -3.688 -2.564 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.999 -2.049 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.306 -1.645 -1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.104 0.355 -2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.617 -0.410 -3.818 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.736 0.126 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.146 -1.372 -3.661 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.213 0.641 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.875 -0.171 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.386 0.599 -4.200 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.159 1.622 -1.059 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.546 1.609 -2.154 1.00 0.00 H new ATOM 1683 N ILE B 10 10.974 -1.412 10.704 1.00 0.00 N ATOM 1684 CA ILE B 10 10.351 -0.259 10.077 1.00 0.00 C ATOM 1685 C ILE B 10 11.382 0.814 9.752 1.00 0.00 C ATOM 1686 O ILE B 10 12.383 0.965 10.452 1.00 0.00 O ATOM 1687 CB ILE B 10 9.253 0.352 10.967 1.00 0.00 C ATOM 1688 CG1 ILE B 10 8.574 -0.727 11.815 1.00 0.00 C ATOM 1689 CG2 ILE B 10 8.229 1.071 10.106 1.00 0.00 C ATOM 1690 CD1 ILE B 10 7.697 -1.665 11.013 1.00 0.00 C ATOM 0 HA ILE B 10 9.895 -0.616 9.153 1.00 0.00 H new ATOM 0 HB ILE B 10 9.716 1.071 11.643 1.00 0.00 H new ATOM 0 HG12 ILE B 10 9.339 -1.309 12.329 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.969 -0.246 12.584 1.00 0.00 H new ATOM 0 HG21 ILE B 10 7.456 1.501 10.743 1.00 0.00 H new ATOM 0 HG22 ILE B 10 8.720 1.866 9.545 1.00 0.00 H new ATOM 0 HG23 ILE B 10 7.776 0.363 9.412 1.00 0.00 H new ATOM 0 HD11 ILE B 10 7.249 -2.403 11.679 1.00 0.00 H new ATOM 0 HD12 ILE B 10 6.909 -1.095 10.521 1.00 0.00 H new ATOM 0 HD13 ILE B 10 8.301 -2.174 10.261 1.00 0.00 H new ATOM 1702 N THR B 11 11.125 1.555 8.683 1.00 0.00 N ATOM 1703 CA THR B 11 12.021 2.619 8.251 1.00 0.00 C ATOM 1704 C THR B 11 11.276 3.948 8.172 1.00 0.00 C ATOM 1705 O THR B 11 10.503 4.184 7.244 1.00 0.00 O ATOM 1706 CB THR B 11 12.633 2.271 6.891 1.00 0.00 C ATOM 1707 OG1 THR B 11 13.471 1.134 6.997 1.00 0.00 O ATOM 1708 CG2 THR B 11 13.455 3.391 6.291 1.00 0.00 C ATOM 0 H THR B 11 10.299 1.438 8.096 1.00 0.00 H new ATOM 0 HA THR B 11 12.822 2.718 8.983 1.00 0.00 H new ATOM 0 HB THR B 11 11.783 2.081 6.236 1.00 0.00 H new ATOM 0 HG1 THR B 11 13.410 0.605 6.174 1.00 0.00 H new ATOM 0 HG21 THR B 11 13.857 3.073 5.329 1.00 0.00 H new ATOM 0 HG22 THR B 11 12.825 4.269 6.148 1.00 0.00 H new ATOM 0 HG23 THR B 11 14.277 3.639 6.963 1.00 0.00 H new ATOM 1716 N LYS B 12 11.511 4.811 9.156 1.00 0.00 N ATOM 1717 CA LYS B 12 10.858 6.113 9.200 1.00 0.00 C ATOM 1718 C LYS B 12 11.481 7.072 8.191 1.00 0.00 C ATOM 1719 O LYS B 12 12.561 7.617 8.420 1.00 0.00 O ATOM 1720 CB LYS B 12 10.943 6.703 10.609 1.00 0.00 C ATOM 1721 CG LYS B 12 9.587 7.038 11.210 1.00 0.00 C ATOM 1722 CD LYS B 12 9.332 8.537 11.215 1.00 0.00 C ATOM 1723 CE LYS B 12 10.208 9.248 12.235 1.00 0.00 C ATOM 1724 NZ LYS B 12 9.700 10.612 12.550 1.00 0.00 N ATOM 0 H LYS B 12 12.148 4.632 9.932 1.00 0.00 H new ATOM 0 HA LYS B 12 9.809 5.974 8.937 1.00 0.00 H new ATOM 0 HB2 LYS B 12 11.455 5.995 11.260 1.00 0.00 H new ATOM 0 HB3 LYS B 12 11.552 7.607 10.580 1.00 0.00 H new ATOM 0 HG2 LYS B 12 8.803 6.537 10.642 1.00 0.00 H new ATOM 0 HG3 LYS B 12 9.536 6.656 12.230 1.00 0.00 H new ATOM 0 HD2 LYS B 12 9.525 8.943 10.222 1.00 0.00 H new ATOM 0 HD3 LYS B 12 8.283 8.728 11.439 1.00 0.00 H new ATOM 0 HE2 LYS B 12 10.252 8.657 13.150 1.00 0.00 H new ATOM 0 HE3 LYS B 12 11.226 9.319 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 10.325 11.062 13.249 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 9.682 11.185 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 8.738 10.543 12.940 1.00 0.00 H new ATOM 1738 N VAL B 13 10.790 7.275 7.074 1.00 0.00 N ATOM 1739 CA VAL B 13 11.266 8.170 6.030 1.00 0.00 C ATOM 1740 C VAL B 13 10.218 9.229 5.700 1.00 0.00 C ATOM 1741 O VAL B 13 9.582 9.743 6.644 1.00 0.00 O ATOM 1742 CB VAL B 13 11.625 7.396 4.747 1.00 0.00 C ATOM 1743 CG1 VAL B 13 12.750 6.410 5.015 1.00 0.00 C ATOM 1744 CG2 VAL B 13 10.402 6.681 4.190 1.00 0.00 C ATOM 1745 OXT VAL B 13 10.039 9.536 4.502 1.00 0.00 O ATOM 0 H VAL B 13 9.896 6.829 6.870 1.00 0.00 H new ATOM 0 HA VAL B 13 12.164 8.657 6.411 1.00 0.00 H new ATOM 0 HB VAL B 13 11.969 8.112 4.000 1.00 0.00 H new ATOM 0 HG11 VAL B 13 12.989 5.873 4.097 1.00 0.00 H new ATOM 0 HG12 VAL B 13 13.632 6.949 5.360 1.00 0.00 H new ATOM 0 HG13 VAL B 13 12.437 5.700 5.780 1.00 0.00 H new ATOM 0 HG21 VAL B 13 10.677 6.141 3.284 1.00 0.00 H new ATOM 0 HG22 VAL B 13 10.023 5.977 4.931 1.00 0.00 H new ATOM 0 HG23 VAL B 13 9.629 7.412 3.955 1.00 0.00 H new