USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 804 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 9 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.23!) USER MOD Single : A 17 ASN : amide:sc= -0.493 K(o=-0.49,f=-2.8!) USER MOD Single : A 19 GLN : amide:sc= -0.145 K(o=-0.14,f=-0.83) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -39:sc= 0.511 USER MOD Single : A 31 TYR OH : rot -70:sc= -2.32! USER MOD Single : A 35 MET CE :methyl 148:sc= -4.44! (180deg=-5.1!) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.146 USER MOD Single : A 38 ASN : amide:sc= -3.83! C(o=-3.8!,f=-7.3!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 143:sc= -0.492 (180deg=-4.35!) USER MOD Single : A 47 SER OG : rot 100:sc= -0.613 USER MOD Single : A 48 CYS SG : rot -58:sc= -4.2! USER MOD Single : A 53 TYR OH : rot 165:sc= -0.961 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.1!) USER MOD Single : A 109 ASN : amide:sc= 0.801 K(o=0.8,f=-0.74) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-2.7) USER MOD Single : A 118 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.79) USER MOD Single : A 119 ASN : amide:sc= -0.0126 X(o=-0.013,f=0.0011) USER MOD Single : A 122 CYS SG : rot -160:sc= -0.451 USER MOD Single : A 124 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.87) USER MOD Single : A 125 MET CE :methyl -150:sc= -1.26! (180deg=-1.49!) USER MOD Single : A 128 GLN : amide:sc= -0.195 X(o=-0.2,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 77 N ASN A 9 -22.076 -10.862 -12.037 1.00 0.00 N ATOM 78 CA ASN A 9 -21.561 -10.393 -10.762 1.00 0.00 C ATOM 79 C ASN A 9 -20.179 -9.773 -10.972 1.00 0.00 C ATOM 80 O ASN A 9 -19.402 -10.245 -11.802 1.00 0.00 O ATOM 81 CB ASN A 9 -21.416 -11.547 -9.768 1.00 0.00 C ATOM 82 CG ASN A 9 -20.750 -12.757 -10.427 1.00 0.00 C ATOM 83 OD1 ASN A 9 -19.669 -12.675 -10.986 1.00 0.00 O ATOM 84 ND2 ASN A 9 -21.454 -13.881 -10.329 1.00 0.00 N ATOM 0 HA ASN A 9 -22.263 -9.661 -10.364 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.824 -11.223 -8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -22.398 -11.830 -9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.095 -14.745 -10.736 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -22.353 -13.879 -9.847 1.00 0.00 H new ATOM 91 N PHE A 10 -19.912 -8.725 -10.207 1.00 0.00 N ATOM 92 CA PHE A 10 -18.637 -8.036 -10.299 1.00 0.00 C ATOM 93 C PHE A 10 -18.297 -7.332 -8.984 1.00 0.00 C ATOM 94 O PHE A 10 -19.080 -6.524 -8.487 1.00 0.00 O ATOM 95 CB PHE A 10 -18.774 -6.986 -11.404 1.00 0.00 C ATOM 96 CG PHE A 10 -19.675 -5.807 -11.033 1.00 0.00 C ATOM 97 CD1 PHE A 10 -19.162 -4.747 -10.353 1.00 0.00 C ATOM 98 CD2 PHE A 10 -20.989 -5.818 -11.384 1.00 0.00 C ATOM 99 CE1 PHE A 10 -19.998 -3.652 -10.009 1.00 0.00 C ATOM 100 CE2 PHE A 10 -21.825 -4.723 -11.040 1.00 0.00 C ATOM 101 CZ PHE A 10 -21.312 -3.663 -10.360 1.00 0.00 C ATOM 0 H PHE A 10 -20.558 -8.336 -9.520 1.00 0.00 H new ATOM 0 HA PHE A 10 -17.843 -8.752 -10.513 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -17.783 -6.608 -11.657 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -19.170 -7.465 -12.299 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -18.119 -4.738 -10.075 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -21.397 -6.660 -11.924 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -19.590 -2.810 -9.469 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -22.868 -4.732 -11.318 1.00 0.00 H new ATOM 0 HZ PHE A 10 -21.948 -2.830 -10.099 1.00 0.00 H new ATOM 111 N LEU A 11 -17.128 -7.666 -8.456 1.00 0.00 N ATOM 112 CA LEU A 11 -16.675 -7.076 -7.207 1.00 0.00 C ATOM 113 C LEU A 11 -15.319 -6.403 -7.429 1.00 0.00 C ATOM 114 O LEU A 11 -14.322 -7.077 -7.685 1.00 0.00 O ATOM 115 CB LEU A 11 -16.668 -8.124 -6.092 1.00 0.00 C ATOM 116 CG LEU A 11 -16.000 -7.702 -4.781 1.00 0.00 C ATOM 117 CD1 LEU A 11 -17.018 -7.082 -3.823 1.00 0.00 C ATOM 118 CD2 LEU A 11 -15.254 -8.876 -4.144 1.00 0.00 C ATOM 0 H LEU A 11 -16.481 -8.337 -8.870 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.366 -6.300 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.699 -8.405 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.165 -9.017 -6.463 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.260 -6.934 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.518 -6.791 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.465 -6.203 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -17.798 -7.810 -3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.788 -8.550 -3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -15.956 -9.683 -3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.485 -9.233 -4.829 1.00 0.00 H new ATOM 130 N GLU A 12 -15.325 -5.083 -7.321 1.00 0.00 N ATOM 131 CA GLU A 12 -14.108 -4.311 -7.506 1.00 0.00 C ATOM 132 C GLU A 12 -14.100 -3.100 -6.571 1.00 0.00 C ATOM 133 O GLU A 12 -15.156 -2.624 -6.158 1.00 0.00 O ATOM 134 CB GLU A 12 -13.949 -3.879 -8.965 1.00 0.00 C ATOM 135 CG GLU A 12 -15.311 -3.612 -9.609 1.00 0.00 C ATOM 136 CD GLU A 12 -15.165 -2.739 -10.858 1.00 0.00 C ATOM 137 OE1 GLU A 12 -14.800 -1.556 -10.684 1.00 0.00 O ATOM 138 OE2 GLU A 12 -15.421 -3.275 -11.957 1.00 0.00 O ATOM 0 H GLU A 12 -16.154 -4.528 -7.108 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.257 -4.945 -7.255 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.336 -2.980 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.425 -4.655 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.783 -4.558 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -15.967 -3.119 -8.891 1.00 0.00 H new ATOM 145 N ILE A 13 -12.897 -2.636 -6.266 1.00 0.00 N ATOM 146 CA ILE A 13 -12.738 -1.489 -5.388 1.00 0.00 C ATOM 147 C ILE A 13 -11.912 -0.417 -6.102 1.00 0.00 C ATOM 148 O ILE A 13 -11.056 -0.733 -6.926 1.00 0.00 O ATOM 149 CB ILE A 13 -12.152 -1.922 -4.043 1.00 0.00 C ATOM 150 CG1 ILE A 13 -13.119 -2.842 -3.294 1.00 0.00 C ATOM 151 CG2 ILE A 13 -11.751 -0.707 -3.203 1.00 0.00 C ATOM 152 CD1 ILE A 13 -12.447 -4.171 -2.941 1.00 0.00 C ATOM 0 H ILE A 13 -12.023 -3.033 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.707 -1.046 -5.160 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.245 -2.495 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.463 -2.351 -2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.000 -3.027 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.337 -1.043 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.002 -0.125 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.628 -0.087 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -13.155 -4.807 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -12.126 -4.671 -3.855 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.581 -3.983 -2.307 1.00 0.00 H new ATOM 164 N ASP A 14 -12.199 0.831 -5.759 1.00 0.00 N ATOM 165 CA ASP A 14 -11.494 1.952 -6.356 1.00 0.00 C ATOM 166 C ASP A 14 -10.679 2.670 -5.278 1.00 0.00 C ATOM 167 O ASP A 14 -11.078 2.706 -4.115 1.00 0.00 O ATOM 168 CB ASP A 14 -12.473 2.961 -6.959 1.00 0.00 C ATOM 169 CG ASP A 14 -13.533 2.359 -7.885 1.00 0.00 C ATOM 170 OD1 ASP A 14 -13.423 1.145 -8.160 1.00 0.00 O ATOM 171 OD2 ASP A 14 -14.428 3.128 -8.297 1.00 0.00 O ATOM 0 H ASP A 14 -12.910 1.090 -5.075 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.848 1.563 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -12.977 3.486 -6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.906 3.706 -7.517 1.00 0.00 H new ATOM 176 N ILE A 15 -9.553 3.223 -5.703 1.00 0.00 N ATOM 177 CA ILE A 15 -8.679 3.938 -4.788 1.00 0.00 C ATOM 178 C ILE A 15 -8.280 5.277 -5.412 1.00 0.00 C ATOM 179 O ILE A 15 -7.374 5.333 -6.243 1.00 0.00 O ATOM 180 CB ILE A 15 -7.487 3.065 -4.393 1.00 0.00 C ATOM 181 CG1 ILE A 15 -7.955 1.714 -3.847 1.00 0.00 C ATOM 182 CG2 ILE A 15 -6.574 3.796 -3.407 1.00 0.00 C ATOM 183 CD1 ILE A 15 -8.482 1.852 -2.418 1.00 0.00 C ATOM 0 H ILE A 15 -9.225 3.191 -6.668 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.202 4.162 -3.859 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.898 2.865 -5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.737 1.310 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.128 1.004 -3.866 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.735 3.153 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.200 4.710 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.136 4.046 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.808 0.877 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.690 2.233 -1.773 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.324 2.544 -2.406 1.00 0.00 H new ATOM 195 N PHE A 16 -8.976 6.322 -4.989 1.00 0.00 N ATOM 196 CA PHE A 16 -8.706 7.656 -5.496 1.00 0.00 C ATOM 197 C PHE A 16 -9.083 8.722 -4.465 1.00 0.00 C ATOM 198 O PHE A 16 -9.461 8.396 -3.340 1.00 0.00 O ATOM 199 CB PHE A 16 -9.569 7.844 -6.745 1.00 0.00 C ATOM 200 CG PHE A 16 -10.950 7.192 -6.650 1.00 0.00 C ATOM 201 CD1 PHE A 16 -11.677 7.302 -5.507 1.00 0.00 C ATOM 202 CD2 PHE A 16 -11.450 6.502 -7.710 1.00 0.00 C ATOM 203 CE1 PHE A 16 -12.959 6.697 -5.419 1.00 0.00 C ATOM 204 CE2 PHE A 16 -12.732 5.896 -7.622 1.00 0.00 C ATOM 205 CZ PHE A 16 -13.459 6.007 -6.478 1.00 0.00 C ATOM 0 H PHE A 16 -9.727 6.271 -4.300 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.644 7.761 -5.716 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -9.694 8.911 -6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.041 7.430 -7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -11.280 7.850 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -10.873 6.415 -8.619 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -13.537 6.785 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -13.129 5.347 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 16 -14.434 5.547 -6.411 1.00 0.00 H new ATOM 215 N ASN A 17 -8.968 9.973 -4.885 1.00 0.00 N ATOM 216 CA ASN A 17 -9.293 11.088 -4.012 1.00 0.00 C ATOM 217 C ASN A 17 -8.324 11.102 -2.828 1.00 0.00 C ATOM 218 O ASN A 17 -8.738 10.945 -1.680 1.00 0.00 O ATOM 219 CB ASN A 17 -10.713 10.960 -3.459 1.00 0.00 C ATOM 220 CG ASN A 17 -11.559 12.179 -3.831 1.00 0.00 C ATOM 221 OD1 ASN A 17 -11.198 12.984 -4.674 1.00 0.00 O ATOM 222 ND2 ASN A 17 -12.702 12.271 -3.156 1.00 0.00 N ATOM 0 H ASN A 17 -8.654 10.239 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.215 12.006 -4.595 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.179 10.056 -3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.677 10.856 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.336 13.050 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.944 11.562 -2.463 1.00 0.00 H new ATOM 229 N PRO A 18 -7.018 11.297 -3.156 1.00 0.00 N ATOM 230 CA PRO A 18 -5.987 11.333 -2.132 1.00 0.00 C ATOM 231 C PRO A 18 -6.027 12.654 -1.361 1.00 0.00 C ATOM 232 O PRO A 18 -6.142 13.723 -1.959 1.00 0.00 O ATOM 233 CB PRO A 18 -4.682 11.121 -2.882 1.00 0.00 C ATOM 234 CG PRO A 18 -4.981 11.438 -4.338 1.00 0.00 C ATOM 235 CD PRO A 18 -6.491 11.487 -4.504 1.00 0.00 C ATOM 0 HA PRO A 18 -6.122 10.565 -1.370 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -3.898 11.772 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.329 10.096 -2.770 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.535 12.392 -4.620 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.550 10.679 -4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.813 12.440 -4.924 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.841 10.706 -5.180 1.00 0.00 H new ATOM 243 N GLN A 19 -5.929 12.537 -0.045 1.00 0.00 N ATOM 244 CA GLN A 19 -5.952 13.709 0.814 1.00 0.00 C ATOM 245 C GLN A 19 -4.948 13.548 1.958 1.00 0.00 C ATOM 246 O GLN A 19 -4.953 12.534 2.655 1.00 0.00 O ATOM 247 CB GLN A 19 -7.360 13.966 1.353 1.00 0.00 C ATOM 248 CG GLN A 19 -7.938 12.707 2.001 1.00 0.00 C ATOM 249 CD GLN A 19 -9.460 12.664 1.855 1.00 0.00 C ATOM 250 OE1 GLN A 19 -10.201 13.255 2.624 1.00 0.00 O ATOM 251 NE2 GLN A 19 -9.885 11.934 0.828 1.00 0.00 N ATOM 0 H GLN A 19 -5.834 11.649 0.447 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.662 14.576 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.332 14.775 2.083 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.010 14.292 0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.500 11.822 1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.670 12.681 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.212 11.465 0.222 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.884 11.843 0.646 1.00 0.00 H new ATOM 260 N THR A 20 -4.111 14.563 2.115 1.00 0.00 N ATOM 261 CA THR A 20 -3.104 14.546 3.162 1.00 0.00 C ATOM 262 C THR A 20 -3.613 15.282 4.403 1.00 0.00 C ATOM 263 O THR A 20 -4.482 16.147 4.304 1.00 0.00 O ATOM 264 CB THR A 20 -1.816 15.141 2.589 1.00 0.00 C ATOM 265 OG1 THR A 20 -1.557 14.356 1.429 1.00 0.00 O ATOM 266 CG2 THR A 20 -0.604 14.889 3.488 1.00 0.00 C ATOM 0 H THR A 20 -4.110 15.402 1.535 1.00 0.00 H new ATOM 0 HA THR A 20 -2.892 13.528 3.490 1.00 0.00 H new ATOM 0 HB THR A 20 -1.944 16.214 2.446 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.739 14.675 0.994 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.283 15.332 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.776 15.340 4.465 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.455 13.816 3.605 1.00 0.00 H new ATOM 412 N THR A 30 -4.752 9.380 3.034 1.00 0.00 N ATOM 413 CA THR A 30 -5.721 8.306 2.896 1.00 0.00 C ATOM 414 C THR A 30 -6.222 8.222 1.453 1.00 0.00 C ATOM 415 O THR A 30 -5.733 8.937 0.580 1.00 0.00 O ATOM 416 CB THR A 30 -6.839 8.544 3.914 1.00 0.00 C ATOM 417 OG1 THR A 30 -7.220 9.900 3.701 1.00 0.00 O ATOM 418 CG2 THR A 30 -6.331 8.522 5.357 1.00 0.00 C ATOM 0 HA THR A 30 -5.270 7.337 3.107 1.00 0.00 H new ATOM 0 HB THR A 30 -7.611 7.785 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.422 10.439 3.519 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.164 8.696 6.039 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.884 7.551 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.583 9.303 5.491 1.00 0.00 H new ATOM 426 N TYR A 31 -7.191 7.342 1.247 1.00 0.00 N ATOM 427 CA TYR A 31 -7.763 7.154 -0.076 1.00 0.00 C ATOM 428 C TYR A 31 -9.237 6.755 0.016 1.00 0.00 C ATOM 429 O TYR A 31 -9.635 6.043 0.938 1.00 0.00 O ATOM 430 CB TYR A 31 -6.976 6.011 -0.718 1.00 0.00 C ATOM 431 CG TYR A 31 -5.522 6.360 -1.042 1.00 0.00 C ATOM 432 CD1 TYR A 31 -5.235 7.228 -2.076 1.00 0.00 C ATOM 433 CD2 TYR A 31 -4.498 5.808 -0.300 1.00 0.00 C ATOM 434 CE1 TYR A 31 -3.867 7.557 -2.381 1.00 0.00 C ATOM 435 CE2 TYR A 31 -3.129 6.138 -0.605 1.00 0.00 C ATOM 436 CZ TYR A 31 -2.882 6.996 -1.630 1.00 0.00 C ATOM 437 OH TYR A 31 -1.589 7.307 -1.918 1.00 0.00 O ATOM 0 H TYR A 31 -7.595 6.751 1.974 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.705 8.077 -0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -6.992 5.152 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -7.479 5.708 -1.636 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -6.037 7.660 -2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.723 5.129 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.629 8.234 -3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.318 5.713 -0.032 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.339 6.904 -2.775 1.00 0.00 H new ATOM 447 N GLU A 32 -10.008 7.230 -0.951 1.00 0.00 N ATOM 448 CA GLU A 32 -11.429 6.931 -0.991 1.00 0.00 C ATOM 449 C GLU A 32 -11.661 5.532 -1.564 1.00 0.00 C ATOM 450 O GLU A 32 -11.690 5.352 -2.781 1.00 0.00 O ATOM 451 CB GLU A 32 -12.189 7.987 -1.796 1.00 0.00 C ATOM 452 CG GLU A 32 -12.815 9.034 -0.874 1.00 0.00 C ATOM 453 CD GLU A 32 -14.343 8.983 -0.943 1.00 0.00 C ATOM 454 OE1 GLU A 32 -14.878 9.399 -1.994 1.00 0.00 O ATOM 455 OE2 GLU A 32 -14.941 8.528 0.056 1.00 0.00 O ATOM 0 H GLU A 32 -9.675 7.820 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.814 6.953 0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.510 8.474 -2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.968 7.507 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.488 8.863 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.468 10.028 -1.158 1.00 0.00 H new ATOM 462 N VAL A 33 -11.821 4.576 -0.661 1.00 0.00 N ATOM 463 CA VAL A 33 -12.050 3.198 -1.062 1.00 0.00 C ATOM 464 C VAL A 33 -13.507 3.034 -1.499 1.00 0.00 C ATOM 465 O VAL A 33 -14.378 2.755 -0.677 1.00 0.00 O ATOM 466 CB VAL A 33 -11.656 2.251 0.073 1.00 0.00 C ATOM 467 CG1 VAL A 33 -11.826 0.790 -0.348 1.00 0.00 C ATOM 468 CG2 VAL A 33 -10.226 2.523 0.544 1.00 0.00 C ATOM 0 H VAL A 33 -11.797 4.728 0.347 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.424 2.939 -1.916 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.326 2.438 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.539 0.138 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.868 0.606 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.192 0.584 -1.211 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.972 1.836 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.536 2.378 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.150 3.549 0.904 1.00 0.00 H new ATOM 478 N ARG A 34 -13.726 3.214 -2.793 1.00 0.00 N ATOM 479 CA ARG A 34 -15.063 3.089 -3.350 1.00 0.00 C ATOM 480 C ARG A 34 -15.256 1.700 -3.960 1.00 0.00 C ATOM 481 O ARG A 34 -14.692 1.395 -5.010 1.00 0.00 O ATOM 482 CB ARG A 34 -15.313 4.150 -4.424 1.00 0.00 C ATOM 483 CG ARG A 34 -16.808 4.289 -4.719 1.00 0.00 C ATOM 484 CD ARG A 34 -17.166 5.735 -5.069 1.00 0.00 C ATOM 485 NE ARG A 34 -18.596 5.828 -5.437 1.00 0.00 N ATOM 486 CZ ARG A 34 -19.239 6.980 -5.670 1.00 0.00 C ATOM 487 NH1 ARG A 34 -18.582 8.145 -5.574 1.00 0.00 N ATOM 488 NH2 ARG A 34 -20.538 6.969 -5.998 1.00 0.00 N ATOM 0 H ARG A 34 -13.001 3.445 -3.472 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.776 3.235 -2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -14.913 5.109 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -14.782 3.881 -5.337 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -17.082 3.633 -5.545 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -17.385 3.968 -3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -16.958 6.386 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -16.546 6.082 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.126 4.960 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.593 8.154 -5.324 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -19.071 9.022 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.038 6.083 -6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.027 7.847 -6.175 1.00 0.00 H new ATOM 502 N MET A 35 -16.055 0.894 -3.276 1.00 0.00 N ATOM 503 CA MET A 35 -16.329 -0.456 -3.738 1.00 0.00 C ATOM 504 C MET A 35 -17.721 -0.548 -4.366 1.00 0.00 C ATOM 505 O MET A 35 -18.605 0.245 -4.046 1.00 0.00 O ATOM 506 CB MET A 35 -16.236 -1.428 -2.560 1.00 0.00 C ATOM 507 CG MET A 35 -16.642 -2.841 -2.981 1.00 0.00 C ATOM 508 SD MET A 35 -18.412 -3.033 -2.847 1.00 0.00 S ATOM 509 CE MET A 35 -18.500 -4.115 -1.430 1.00 0.00 C ATOM 0 H MET A 35 -16.521 1.150 -2.406 1.00 0.00 H new ATOM 0 HA MET A 35 -15.590 -0.717 -4.496 1.00 0.00 H new ATOM 0 HB2 MET A 35 -15.217 -1.439 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 35 -16.881 -1.087 -1.751 1.00 0.00 H new ATOM 0 HG2 MET A 35 -16.324 -3.029 -4.006 1.00 0.00 H new ATOM 0 HG3 MET A 35 -16.140 -3.575 -2.352 1.00 0.00 H new ATOM 0 HE1 MET A 35 -19.410 -3.905 -0.867 1.00 0.00 H new ATOM 0 HE2 MET A 35 -18.512 -5.152 -1.764 1.00 0.00 H new ATOM 0 HE3 MET A 35 -17.632 -3.950 -0.792 1.00 0.00 H new ATOM 519 N ARG A 36 -17.873 -1.523 -5.251 1.00 0.00 N ATOM 520 CA ARG A 36 -19.142 -1.729 -5.927 1.00 0.00 C ATOM 521 C ARG A 36 -19.333 -3.211 -6.259 1.00 0.00 C ATOM 522 O ARG A 36 -18.586 -3.771 -7.060 1.00 0.00 O ATOM 523 CB ARG A 36 -19.218 -0.910 -7.217 1.00 0.00 C ATOM 524 CG ARG A 36 -19.885 0.444 -6.969 1.00 0.00 C ATOM 525 CD ARG A 36 -20.583 0.952 -8.232 1.00 0.00 C ATOM 526 NE ARG A 36 -20.627 2.431 -8.226 1.00 0.00 N ATOM 527 CZ ARG A 36 -19.547 3.215 -8.341 1.00 0.00 C ATOM 528 NH1 ARG A 36 -18.332 2.666 -8.471 1.00 0.00 N ATOM 529 NH2 ARG A 36 -19.682 4.548 -8.326 1.00 0.00 N ATOM 0 H ARG A 36 -17.138 -2.179 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.933 -1.400 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.215 -0.758 -7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.779 -1.463 -7.970 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -20.610 0.353 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.137 1.168 -6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -20.053 0.599 -9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.595 0.550 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.537 2.882 -8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.229 1.651 -8.482 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.509 3.263 -8.559 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.607 4.966 -8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.860 5.145 -8.414 1.00 0.00 H new ATOM 543 N THR A 37 -20.335 -3.802 -5.627 1.00 0.00 N ATOM 544 CA THR A 37 -20.633 -5.207 -5.846 1.00 0.00 C ATOM 545 C THR A 37 -22.144 -5.423 -5.948 1.00 0.00 C ATOM 546 O THR A 37 -22.924 -4.506 -5.694 1.00 0.00 O ATOM 547 CB THR A 37 -19.980 -6.010 -4.719 1.00 0.00 C ATOM 548 OG1 THR A 37 -20.036 -7.359 -5.175 1.00 0.00 O ATOM 549 CG2 THR A 37 -20.819 -6.013 -3.440 1.00 0.00 C ATOM 0 H THR A 37 -20.951 -3.334 -4.963 1.00 0.00 H new ATOM 0 HA THR A 37 -20.222 -5.555 -6.794 1.00 0.00 H new ATOM 0 HB THR A 37 -18.994 -5.598 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.781 -7.962 -4.446 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.310 -6.597 -2.673 1.00 0.00 H new ATOM 0 HG22 THR A 37 -20.951 -4.989 -3.089 1.00 0.00 H new ATOM 0 HG23 THR A 37 -21.794 -6.455 -3.645 1.00 0.00 H new ATOM 557 N ASN A 38 -22.512 -6.640 -6.320 1.00 0.00 N ATOM 558 CA ASN A 38 -23.916 -6.988 -6.458 1.00 0.00 C ATOM 559 C ASN A 38 -24.185 -8.308 -5.734 1.00 0.00 C ATOM 560 O ASN A 38 -25.247 -8.906 -5.899 1.00 0.00 O ATOM 561 CB ASN A 38 -24.296 -7.170 -7.929 1.00 0.00 C ATOM 562 CG ASN A 38 -23.183 -7.886 -8.698 1.00 0.00 C ATOM 563 OD1 ASN A 38 -22.656 -8.902 -8.276 1.00 0.00 O ATOM 564 ND2 ASN A 38 -22.857 -7.301 -9.847 1.00 0.00 N ATOM 0 H ASN A 38 -21.862 -7.398 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 38 -24.507 -6.178 -6.030 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -25.220 -7.744 -8.001 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -24.488 -6.197 -8.382 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.126 -7.702 -10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -23.338 -6.451 -10.141 1.00 0.00 H new ATOM 571 N LEU A 39 -23.203 -8.724 -4.947 1.00 0.00 N ATOM 572 CA LEU A 39 -23.320 -9.963 -4.197 1.00 0.00 C ATOM 573 C LEU A 39 -24.125 -9.708 -2.921 1.00 0.00 C ATOM 574 O LEU A 39 -24.171 -8.583 -2.427 1.00 0.00 O ATOM 575 CB LEU A 39 -21.937 -10.566 -3.940 1.00 0.00 C ATOM 576 CG LEU A 39 -21.007 -10.651 -5.152 1.00 0.00 C ATOM 577 CD1 LEU A 39 -19.605 -11.100 -4.736 1.00 0.00 C ATOM 578 CD2 LEU A 39 -21.600 -11.552 -6.237 1.00 0.00 C ATOM 0 H LEU A 39 -22.323 -8.225 -4.813 1.00 0.00 H new ATOM 0 HA LEU A 39 -23.866 -10.708 -4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -21.443 -9.976 -3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -22.069 -11.570 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 39 -20.912 -9.653 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.964 -11.152 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.190 -10.385 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -19.661 -12.083 -4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -20.919 -11.595 -7.087 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -21.745 -12.556 -5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -22.559 -11.148 -6.561 1.00 0.00 H new ATOM 590 N PRO A 40 -24.757 -10.799 -2.413 1.00 0.00 N ATOM 591 CA PRO A 40 -25.559 -10.705 -1.204 1.00 0.00 C ATOM 592 C PRO A 40 -24.670 -10.598 0.036 1.00 0.00 C ATOM 593 O PRO A 40 -24.990 -9.866 0.972 1.00 0.00 O ATOM 594 CB PRO A 40 -26.426 -11.953 -1.208 1.00 0.00 C ATOM 595 CG PRO A 40 -25.753 -12.924 -2.165 1.00 0.00 C ATOM 596 CD PRO A 40 -24.726 -12.148 -2.972 1.00 0.00 C ATOM 0 HA PRO A 40 -26.177 -9.808 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -26.502 -12.379 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -27.440 -11.723 -1.534 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -25.273 -13.732 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -26.490 -13.382 -2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -23.734 -12.591 -2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -24.977 -12.143 -4.033 1.00 0.00 H new ATOM 604 N ILE A 41 -23.572 -11.339 0.004 1.00 0.00 N ATOM 605 CA ILE A 41 -22.635 -11.336 1.114 1.00 0.00 C ATOM 606 C ILE A 41 -22.518 -9.918 1.674 1.00 0.00 C ATOM 607 O ILE A 41 -22.524 -9.723 2.889 1.00 0.00 O ATOM 608 CB ILE A 41 -21.296 -11.941 0.686 1.00 0.00 C ATOM 609 CG1 ILE A 41 -20.464 -10.928 -0.102 1.00 0.00 C ATOM 610 CG2 ILE A 41 -21.506 -13.241 -0.093 1.00 0.00 C ATOM 611 CD1 ILE A 41 -19.038 -11.440 -0.319 1.00 0.00 C ATOM 0 H ILE A 41 -23.311 -11.945 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.001 -11.969 1.923 1.00 0.00 H new ATOM 0 HB ILE A 41 -20.731 -12.192 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -20.936 -10.736 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -20.436 -9.979 0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -20.539 -13.650 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -22.030 -13.961 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.099 -13.039 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -18.468 -10.701 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -18.561 -11.608 0.647 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -19.068 -12.376 -0.877 1.00 0.00 H new ATOM 623 N PHE A 42 -22.414 -8.962 0.762 1.00 0.00 N ATOM 624 CA PHE A 42 -22.295 -7.567 1.150 1.00 0.00 C ATOM 625 C PHE A 42 -23.672 -6.952 1.412 1.00 0.00 C ATOM 626 O PHE A 42 -24.613 -7.181 0.654 1.00 0.00 O ATOM 627 CB PHE A 42 -21.636 -6.832 -0.019 1.00 0.00 C ATOM 628 CG PHE A 42 -20.158 -7.176 -0.216 1.00 0.00 C ATOM 629 CD1 PHE A 42 -19.805 -8.259 -0.958 1.00 0.00 C ATOM 630 CD2 PHE A 42 -19.198 -6.398 0.351 1.00 0.00 C ATOM 631 CE1 PHE A 42 -18.433 -8.578 -1.141 1.00 0.00 C ATOM 632 CE2 PHE A 42 -17.826 -6.716 0.168 1.00 0.00 C ATOM 633 CZ PHE A 42 -17.473 -7.800 -0.574 1.00 0.00 C ATOM 0 H PHE A 42 -22.410 -9.126 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 42 -21.709 -7.484 2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -22.178 -7.067 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -21.730 -5.758 0.141 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.568 -8.877 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -19.479 -5.538 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -18.152 -9.438 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -17.063 -6.097 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 42 -16.430 -8.043 -0.713 1.00 0.00 H new ATOM 643 N LYS A 43 -23.745 -6.183 2.489 1.00 0.00 N ATOM 644 CA LYS A 43 -24.991 -5.534 2.861 1.00 0.00 C ATOM 645 C LYS A 43 -25.244 -4.351 1.923 1.00 0.00 C ATOM 646 O LYS A 43 -26.303 -4.261 1.304 1.00 0.00 O ATOM 647 CB LYS A 43 -24.974 -5.152 4.342 1.00 0.00 C ATOM 648 CG LYS A 43 -26.395 -5.081 4.906 1.00 0.00 C ATOM 649 CD LYS A 43 -26.375 -4.970 6.432 1.00 0.00 C ATOM 650 CE LYS A 43 -27.203 -3.774 6.906 1.00 0.00 C ATOM 651 NZ LYS A 43 -27.380 -3.816 8.375 1.00 0.00 N ATOM 0 H LYS A 43 -22.962 -5.995 3.115 1.00 0.00 H new ATOM 0 HA LYS A 43 -25.829 -6.221 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -24.392 -5.883 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -24.481 -4.188 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -26.916 -4.222 4.482 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -26.952 -5.970 4.610 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -26.768 -5.886 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -25.347 -4.866 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -26.709 -2.846 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -28.177 -3.781 6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.944 -2.997 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.871 -4.693 8.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.449 -3.787 8.838 1.00 0.00 H new ATOM 665 N LEU A 44 -24.254 -3.474 1.848 1.00 0.00 N ATOM 666 CA LEU A 44 -24.356 -2.301 0.997 1.00 0.00 C ATOM 667 C LEU A 44 -23.833 -2.643 -0.400 1.00 0.00 C ATOM 668 O LEU A 44 -22.883 -3.412 -0.540 1.00 0.00 O ATOM 669 CB LEU A 44 -23.650 -1.107 1.643 1.00 0.00 C ATOM 670 CG LEU A 44 -23.799 -0.980 3.160 1.00 0.00 C ATOM 671 CD1 LEU A 44 -23.233 0.351 3.658 1.00 0.00 C ATOM 672 CD2 LEU A 44 -25.255 -1.179 3.586 1.00 0.00 C ATOM 0 H LEU A 44 -23.377 -3.552 2.363 1.00 0.00 H new ATOM 0 HA LEU A 44 -25.398 -2.002 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.588 -1.167 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -24.028 -0.194 1.183 1.00 0.00 H new ATOM 0 HG LEU A 44 -23.215 -1.773 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -23.352 0.415 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -22.175 0.414 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -23.769 1.174 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -25.334 -1.084 4.669 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -25.880 -0.424 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -25.590 -2.171 3.284 1.00 0.00 H new ATOM 684 N LYS A 45 -24.475 -2.054 -1.398 1.00 0.00 N ATOM 685 CA LYS A 45 -24.086 -2.286 -2.778 1.00 0.00 C ATOM 686 C LYS A 45 -22.880 -1.410 -3.118 1.00 0.00 C ATOM 687 O LYS A 45 -22.044 -1.788 -3.938 1.00 0.00 O ATOM 688 CB LYS A 45 -25.280 -2.079 -3.713 1.00 0.00 C ATOM 689 CG LYS A 45 -26.453 -2.976 -3.312 1.00 0.00 C ATOM 690 CD LYS A 45 -26.282 -4.387 -3.879 1.00 0.00 C ATOM 691 CE LYS A 45 -26.804 -4.468 -5.315 1.00 0.00 C ATOM 692 NZ LYS A 45 -25.762 -4.031 -6.270 1.00 0.00 N ATOM 0 H LYS A 45 -25.262 -1.416 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.777 -3.322 -2.917 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -25.591 -1.035 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.985 -2.297 -4.739 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.525 -3.023 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -27.386 -2.545 -3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -25.229 -4.667 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -26.817 -5.102 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -27.107 -5.490 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -27.690 -3.842 -5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -25.812 -4.614 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.916 -3.033 -6.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.824 -4.138 -5.834 1.00 0.00 H new ATOM 706 N GLU A 46 -22.826 -0.255 -2.471 1.00 0.00 N ATOM 707 CA GLU A 46 -21.736 0.679 -2.695 1.00 0.00 C ATOM 708 C GLU A 46 -21.512 1.542 -1.451 1.00 0.00 C ATOM 709 O GLU A 46 -22.468 1.934 -0.784 1.00 0.00 O ATOM 710 CB GLU A 46 -22.002 1.549 -3.925 1.00 0.00 C ATOM 711 CG GLU A 46 -20.784 2.411 -4.261 1.00 0.00 C ATOM 712 CD GLU A 46 -21.210 3.748 -4.872 1.00 0.00 C ATOM 713 OE1 GLU A 46 -21.569 3.735 -6.070 1.00 0.00 O ATOM 714 OE2 GLU A 46 -21.166 4.752 -4.129 1.00 0.00 O ATOM 0 H GLU A 46 -23.520 0.055 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 46 -20.828 0.107 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -22.249 0.915 -4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -22.865 2.189 -3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -20.200 2.589 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -20.138 1.878 -4.958 1.00 0.00 H new ATOM 721 N SER A 47 -20.244 1.812 -1.178 1.00 0.00 N ATOM 722 CA SER A 47 -19.883 2.621 -0.027 1.00 0.00 C ATOM 723 C SER A 47 -18.507 3.254 -0.243 1.00 0.00 C ATOM 724 O SER A 47 -17.697 2.740 -1.013 1.00 0.00 O ATOM 725 CB SER A 47 -19.888 1.787 1.256 1.00 0.00 C ATOM 726 OG SER A 47 -19.271 0.516 1.069 1.00 0.00 O ATOM 0 H SER A 47 -19.454 1.485 -1.734 1.00 0.00 H new ATOM 0 HA SER A 47 -20.626 3.411 0.082 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.367 2.331 2.044 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.915 1.645 1.592 1.00 0.00 H new ATOM 0 HG SER A 47 -18.354 0.544 1.412 1.00 0.00 H new ATOM 732 N CYS A 48 -18.285 4.361 0.450 1.00 0.00 N ATOM 733 CA CYS A 48 -17.021 5.070 0.344 1.00 0.00 C ATOM 734 C CYS A 48 -16.515 5.366 1.757 1.00 0.00 C ATOM 735 O CYS A 48 -17.201 6.021 2.541 1.00 0.00 O ATOM 736 CB CYS A 48 -17.155 6.344 -0.493 1.00 0.00 C ATOM 737 SG CYS A 48 -15.781 6.449 -1.697 1.00 0.00 S ATOM 0 H CYS A 48 -18.959 4.785 1.087 1.00 0.00 H new ATOM 0 HA CYS A 48 -16.295 4.446 -0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -18.110 6.345 -1.018 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -17.147 7.219 0.157 1.00 0.00 H new ATOM 0 HG CYS A 48 -14.646 6.432 -1.063 1.00 0.00 H new ATOM 743 N VAL A 49 -15.320 4.870 2.040 1.00 0.00 N ATOM 744 CA VAL A 49 -14.715 5.074 3.345 1.00 0.00 C ATOM 745 C VAL A 49 -13.333 5.706 3.169 1.00 0.00 C ATOM 746 O VAL A 49 -12.852 5.854 2.046 1.00 0.00 O ATOM 747 CB VAL A 49 -14.674 3.752 4.115 1.00 0.00 C ATOM 748 CG1 VAL A 49 -16.085 3.200 4.332 1.00 0.00 C ATOM 749 CG2 VAL A 49 -13.789 2.729 3.401 1.00 0.00 C ATOM 0 H VAL A 49 -14.754 4.327 1.388 1.00 0.00 H new ATOM 0 HA VAL A 49 -15.314 5.763 3.940 1.00 0.00 H new ATOM 0 HB VAL A 49 -14.237 3.948 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -16.028 2.260 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -16.673 3.919 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -16.561 3.027 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -13.777 1.799 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -14.184 2.540 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.774 3.118 3.322 1.00 0.00 H new ATOM 759 N ARG A 50 -12.732 6.062 4.295 1.00 0.00 N ATOM 760 CA ARG A 50 -11.415 6.675 4.279 1.00 0.00 C ATOM 761 C ARG A 50 -10.442 5.863 5.137 1.00 0.00 C ATOM 762 O ARG A 50 -10.643 5.719 6.342 1.00 0.00 O ATOM 763 CB ARG A 50 -11.469 8.111 4.802 1.00 0.00 C ATOM 764 CG ARG A 50 -10.803 9.078 3.820 1.00 0.00 C ATOM 765 CD ARG A 50 -10.817 10.508 4.365 1.00 0.00 C ATOM 766 NE ARG A 50 -12.140 11.127 4.126 1.00 0.00 N ATOM 767 CZ ARG A 50 -12.613 12.175 4.814 1.00 0.00 C ATOM 768 NH1 ARG A 50 -11.875 12.727 5.787 1.00 0.00 N ATOM 769 NH2 ARG A 50 -13.825 12.672 4.529 1.00 0.00 N ATOM 0 H ARG A 50 -13.133 5.938 5.224 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.069 6.690 3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.506 8.405 4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.970 8.168 5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.775 8.765 3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.322 9.045 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.597 10.501 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.038 11.098 3.882 1.00 0.00 H new ATOM 0 HE ARG A 50 -12.728 10.731 3.392 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.953 12.349 6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.236 13.525 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.387 12.252 3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.185 13.470 5.053 1.00 0.00 H new ATOM 783 N ARG A 51 -9.408 5.355 4.483 1.00 0.00 N ATOM 784 CA ARG A 51 -8.403 4.562 5.171 1.00 0.00 C ATOM 785 C ARG A 51 -7.048 4.703 4.476 1.00 0.00 C ATOM 786 O ARG A 51 -6.986 4.991 3.281 1.00 0.00 O ATOM 787 CB ARG A 51 -8.798 3.084 5.207 1.00 0.00 C ATOM 788 CG ARG A 51 -9.609 2.764 6.464 1.00 0.00 C ATOM 789 CD ARG A 51 -8.730 2.826 7.715 1.00 0.00 C ATOM 790 NE ARG A 51 -9.558 3.138 8.901 1.00 0.00 N ATOM 791 CZ ARG A 51 -9.064 3.559 10.073 1.00 0.00 C ATOM 792 NH1 ARG A 51 -7.742 3.721 10.223 1.00 0.00 N ATOM 793 NH2 ARG A 51 -9.891 3.819 11.095 1.00 0.00 N ATOM 0 H ARG A 51 -9.244 5.477 3.484 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.331 4.933 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.383 2.838 4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.902 2.464 5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.433 3.471 6.559 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.050 1.771 6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.219 1.874 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.958 3.586 7.590 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.569 3.025 8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.113 3.524 9.445 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.365 4.042 11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.897 3.696 10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.514 4.139 11.987 1.00 0.00 H new ATOM 807 N ARG A 52 -5.995 4.494 5.253 1.00 0.00 N ATOM 808 CA ARG A 52 -4.645 4.595 4.726 1.00 0.00 C ATOM 809 C ARG A 52 -4.018 3.205 4.602 1.00 0.00 C ATOM 810 O ARG A 52 -4.615 2.212 5.017 1.00 0.00 O ATOM 811 CB ARG A 52 -3.766 5.464 5.628 1.00 0.00 C ATOM 812 CG ARG A 52 -4.046 5.181 7.105 1.00 0.00 C ATOM 813 CD ARG A 52 -2.790 5.395 7.953 1.00 0.00 C ATOM 814 NE ARG A 52 -3.143 5.393 9.390 1.00 0.00 N ATOM 815 CZ ARG A 52 -2.296 5.729 10.372 1.00 0.00 C ATOM 816 NH1 ARG A 52 -1.041 6.095 10.078 1.00 0.00 N ATOM 817 NH2 ARG A 52 -2.703 5.699 11.648 1.00 0.00 N ATOM 0 H ARG A 52 -6.050 4.255 6.243 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.707 5.059 3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.715 5.273 5.411 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.949 6.517 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.844 5.834 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.398 4.156 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.064 4.608 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.319 6.341 7.687 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.091 5.119 9.649 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.731 6.118 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.396 6.351 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.658 5.420 11.872 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.058 5.955 12.395 1.00 0.00 H new ATOM 831 N TYR A 53 -2.824 3.178 4.030 1.00 0.00 N ATOM 832 CA TYR A 53 -2.110 1.926 3.846 1.00 0.00 C ATOM 833 C TYR A 53 -2.061 1.126 5.149 1.00 0.00 C ATOM 834 O TYR A 53 -2.077 -0.104 5.128 1.00 0.00 O ATOM 835 CB TYR A 53 -0.685 2.308 3.442 1.00 0.00 C ATOM 836 CG TYR A 53 0.304 1.140 3.468 1.00 0.00 C ATOM 837 CD1 TYR A 53 0.927 0.789 4.648 1.00 0.00 C ATOM 838 CD2 TYR A 53 0.572 0.438 2.310 1.00 0.00 C ATOM 839 CE1 TYR A 53 1.857 -0.310 4.672 1.00 0.00 C ATOM 840 CE2 TYR A 53 1.503 -0.661 2.335 1.00 0.00 C ATOM 841 CZ TYR A 53 2.099 -0.980 3.514 1.00 0.00 C ATOM 842 OH TYR A 53 2.978 -2.018 3.537 1.00 0.00 O ATOM 0 H TYR A 53 -2.332 4.003 3.688 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.605 1.309 3.097 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.704 2.732 2.438 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.326 3.090 4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 53 0.717 1.339 5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.084 0.712 1.386 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.351 -0.596 5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.722 -1.219 1.437 1.00 0.00 H new ATOM 0 HH TYR A 53 2.878 -2.550 2.720 1.00 0.00 H new ATOM 852 N SER A 54 -2.003 1.857 6.253 1.00 0.00 N ATOM 853 CA SER A 54 -1.951 1.231 7.563 1.00 0.00 C ATOM 854 C SER A 54 -3.185 0.350 7.771 1.00 0.00 C ATOM 855 O SER A 54 -3.172 -0.555 8.604 1.00 0.00 O ATOM 856 CB SER A 54 -1.856 2.281 8.672 1.00 0.00 C ATOM 857 OG SER A 54 -1.732 1.687 9.961 1.00 0.00 O ATOM 0 H SER A 54 -1.991 2.877 6.267 1.00 0.00 H new ATOM 0 HA SER A 54 -1.056 0.610 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.998 2.927 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.743 2.914 8.649 1.00 0.00 H new ATOM 0 HG SER A 54 -1.673 2.390 10.641 1.00 0.00 H new ATOM 863 N ASP A 55 -4.220 0.645 7.000 1.00 0.00 N ATOM 864 CA ASP A 55 -5.459 -0.109 7.089 1.00 0.00 C ATOM 865 C ASP A 55 -5.243 -1.508 6.508 1.00 0.00 C ATOM 866 O ASP A 55 -5.297 -2.500 7.234 1.00 0.00 O ATOM 867 CB ASP A 55 -6.574 0.567 6.289 1.00 0.00 C ATOM 868 CG ASP A 55 -7.962 -0.053 6.462 1.00 0.00 C ATOM 869 OD1 ASP A 55 -8.163 -0.712 7.505 1.00 0.00 O ATOM 870 OD2 ASP A 55 -8.791 0.146 5.548 1.00 0.00 O ATOM 0 H ASP A 55 -4.227 1.396 6.310 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.748 -0.160 8.139 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.623 1.617 6.578 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.310 0.540 5.232 1.00 0.00 H new ATOM 875 N PHE A 56 -5.002 -1.542 5.206 1.00 0.00 N ATOM 876 CA PHE A 56 -4.777 -2.803 4.520 1.00 0.00 C ATOM 877 C PHE A 56 -3.814 -3.693 5.309 1.00 0.00 C ATOM 878 O PHE A 56 -3.990 -4.909 5.364 1.00 0.00 O ATOM 879 CB PHE A 56 -4.149 -2.469 3.165 1.00 0.00 C ATOM 880 CG PHE A 56 -5.035 -1.606 2.265 1.00 0.00 C ATOM 881 CD1 PHE A 56 -4.974 -0.250 2.349 1.00 0.00 C ATOM 882 CD2 PHE A 56 -5.884 -2.194 1.380 1.00 0.00 C ATOM 883 CE1 PHE A 56 -5.796 0.551 1.514 1.00 0.00 C ATOM 884 CE2 PHE A 56 -6.706 -1.393 0.545 1.00 0.00 C ATOM 885 CZ PHE A 56 -6.645 -0.037 0.629 1.00 0.00 C ATOM 0 H PHE A 56 -4.958 -0.717 4.608 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.719 -3.340 4.411 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.204 -1.951 3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.916 -3.398 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.300 0.218 3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.933 -3.271 1.313 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.747 1.628 1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.380 -1.861 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.270 0.572 -0.007 1.00 0.00 H new ATOM 895 N GLU A 57 -2.817 -3.051 5.901 1.00 0.00 N ATOM 896 CA GLU A 57 -1.826 -3.769 6.685 1.00 0.00 C ATOM 897 C GLU A 57 -2.494 -4.479 7.864 1.00 0.00 C ATOM 898 O GLU A 57 -2.210 -5.645 8.133 1.00 0.00 O ATOM 899 CB GLU A 57 -0.721 -2.827 7.166 1.00 0.00 C ATOM 900 CG GLU A 57 0.486 -2.872 6.227 1.00 0.00 C ATOM 901 CD GLU A 57 1.777 -2.537 6.977 1.00 0.00 C ATOM 902 OE1 GLU A 57 1.795 -1.469 7.627 1.00 0.00 O ATOM 903 OE2 GLU A 57 2.717 -3.356 6.883 1.00 0.00 O ATOM 0 H GLU A 57 -2.674 -2.042 5.853 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.364 -4.523 6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.105 -1.808 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.413 -3.107 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.567 -3.863 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.342 -2.165 5.410 1.00 0.00 H new ATOM 910 N TRP A 58 -3.370 -3.745 8.535 1.00 0.00 N ATOM 911 CA TRP A 58 -4.081 -4.290 9.680 1.00 0.00 C ATOM 912 C TRP A 58 -4.996 -5.409 9.179 1.00 0.00 C ATOM 913 O TRP A 58 -5.096 -6.462 9.807 1.00 0.00 O ATOM 914 CB TRP A 58 -4.836 -3.191 10.430 1.00 0.00 C ATOM 915 CG TRP A 58 -5.738 -3.710 11.551 1.00 0.00 C ATOM 916 CD1 TRP A 58 -5.492 -3.725 12.868 1.00 0.00 C ATOM 917 CD2 TRP A 58 -7.050 -4.292 11.399 1.00 0.00 C ATOM 918 NE1 TRP A 58 -6.544 -4.272 13.573 1.00 0.00 N ATOM 919 CE2 TRP A 58 -7.522 -4.628 12.652 1.00 0.00 C ATOM 920 CE3 TRP A 58 -7.812 -4.528 10.242 1.00 0.00 C ATOM 921 CZ2 TRP A 58 -8.773 -5.218 12.867 1.00 0.00 C ATOM 922 CZ3 TRP A 58 -9.060 -5.118 10.473 1.00 0.00 C ATOM 923 CH2 TRP A 58 -9.550 -5.462 11.728 1.00 0.00 C ATOM 0 H TRP A 58 -3.604 -2.778 8.308 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.383 -4.709 10.404 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.114 -2.492 10.853 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -5.443 -2.631 9.719 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.584 -3.355 13.321 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.595 -4.393 14.585 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -7.462 -4.274 9.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.120 -5.471 13.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -9.686 -5.320 9.617 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.526 -5.915 11.824 1.00 0.00 H new ATOM 934 N LEU A 59 -5.640 -5.143 8.052 1.00 0.00 N ATOM 935 CA LEU A 59 -6.544 -6.115 7.459 1.00 0.00 C ATOM 936 C LEU A 59 -5.759 -7.375 7.090 1.00 0.00 C ATOM 937 O LEU A 59 -6.130 -8.479 7.486 1.00 0.00 O ATOM 938 CB LEU A 59 -7.300 -5.495 6.283 1.00 0.00 C ATOM 939 CG LEU A 59 -7.425 -6.366 5.032 1.00 0.00 C ATOM 940 CD1 LEU A 59 -8.439 -7.491 5.246 1.00 0.00 C ATOM 941 CD2 LEU A 59 -7.761 -5.518 3.803 1.00 0.00 C ATOM 0 H LEU A 59 -5.554 -4.269 7.534 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.308 -6.413 8.177 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.303 -5.232 6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.802 -4.566 6.006 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.459 -6.834 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.509 -8.095 4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.117 -8.118 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.415 -7.063 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.844 -6.163 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.707 -5.002 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.971 -4.785 3.640 1.00 0.00 H new ATOM 953 N LYS A 60 -4.689 -7.169 6.337 1.00 0.00 N ATOM 954 CA LYS A 60 -3.850 -8.275 5.910 1.00 0.00 C ATOM 955 C LYS A 60 -3.386 -9.061 7.138 1.00 0.00 C ATOM 956 O LYS A 60 -3.735 -10.229 7.300 1.00 0.00 O ATOM 957 CB LYS A 60 -2.702 -7.769 5.034 1.00 0.00 C ATOM 958 CG LYS A 60 -1.502 -8.717 5.101 1.00 0.00 C ATOM 959 CD LYS A 60 -0.590 -8.534 3.886 1.00 0.00 C ATOM 960 CE LYS A 60 0.101 -9.848 3.516 1.00 0.00 C ATOM 961 NZ LYS A 60 1.087 -10.225 4.553 1.00 0.00 N ATOM 0 H LYS A 60 -4.384 -6.252 6.011 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.417 -8.965 5.285 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.040 -7.677 4.002 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.402 -6.773 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.938 -8.531 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.851 -9.749 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.175 -8.175 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.160 -7.773 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.642 -10.638 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.600 -9.745 2.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.547 -11.119 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.805 -9.478 4.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.603 -10.344 5.466 1.00 0.00 H new ATOM 975 N ASN A 61 -2.606 -8.388 7.972 1.00 0.00 N ATOM 976 CA ASN A 61 -2.091 -9.009 9.180 1.00 0.00 C ATOM 977 C ASN A 61 -3.237 -9.698 9.923 1.00 0.00 C ATOM 978 O ASN A 61 -3.041 -10.742 10.543 1.00 0.00 O ATOM 979 CB ASN A 61 -1.480 -7.965 10.118 1.00 0.00 C ATOM 980 CG ASN A 61 -0.508 -8.616 11.104 1.00 0.00 C ATOM 981 OD1 ASN A 61 0.627 -8.927 10.783 1.00 0.00 O ATOM 982 ND2 ASN A 61 -1.015 -8.804 12.319 1.00 0.00 N ATOM 0 H ASN A 61 -2.319 -7.419 7.835 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.324 -9.727 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.958 -7.207 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.272 -7.455 10.666 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.445 -9.232 13.049 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.974 -8.520 12.521 1.00 0.00 H new ATOM 989 N GLU A 62 -4.409 -9.087 9.835 1.00 0.00 N ATOM 990 CA GLU A 62 -5.587 -9.629 10.491 1.00 0.00 C ATOM 991 C GLU A 62 -5.983 -10.963 9.854 1.00 0.00 C ATOM 992 O GLU A 62 -6.356 -11.903 10.554 1.00 0.00 O ATOM 993 CB GLU A 62 -6.748 -8.633 10.444 1.00 0.00 C ATOM 994 CG GLU A 62 -8.093 -9.361 10.411 1.00 0.00 C ATOM 995 CD GLU A 62 -8.307 -10.177 11.688 1.00 0.00 C ATOM 996 OE1 GLU A 62 -8.277 -9.554 12.771 1.00 0.00 O ATOM 997 OE2 GLU A 62 -8.495 -11.405 11.552 1.00 0.00 O ATOM 0 H GLU A 62 -4.568 -8.222 9.319 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.346 -9.806 11.539 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.706 -7.978 11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.652 -7.998 9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.900 -8.637 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.133 -10.020 9.543 1.00 0.00 H new ATOM 1004 N LEU A 63 -5.888 -11.002 8.533 1.00 0.00 N ATOM 1005 CA LEU A 63 -6.231 -12.205 7.794 1.00 0.00 C ATOM 1006 C LEU A 63 -5.249 -13.321 8.159 1.00 0.00 C ATOM 1007 O LEU A 63 -5.661 -14.437 8.472 1.00 0.00 O ATOM 1008 CB LEU A 63 -6.297 -11.912 6.294 1.00 0.00 C ATOM 1009 CG LEU A 63 -7.613 -11.322 5.783 1.00 0.00 C ATOM 1010 CD1 LEU A 63 -7.447 -10.747 4.375 1.00 0.00 C ATOM 1011 CD2 LEU A 63 -8.740 -12.355 5.851 1.00 0.00 C ATOM 0 H LEU A 63 -5.579 -10.220 7.956 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.226 -12.551 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.491 -11.223 6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.103 -12.839 5.754 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.893 -10.496 6.437 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.397 -10.334 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.694 -9.959 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.131 -11.537 3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.664 -11.910 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.481 -13.217 5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.878 -12.675 6.884 1.00 0.00 H new ATOM 1023 N GLU A 64 -3.970 -12.980 8.107 1.00 0.00 N ATOM 1024 CA GLU A 64 -2.927 -13.939 8.429 1.00 0.00 C ATOM 1025 C GLU A 64 -2.975 -14.297 9.916 1.00 0.00 C ATOM 1026 O GLU A 64 -2.653 -15.421 10.298 1.00 0.00 O ATOM 1027 CB GLU A 64 -1.549 -13.401 8.039 1.00 0.00 C ATOM 1028 CG GLU A 64 -1.370 -13.400 6.520 1.00 0.00 C ATOM 1029 CD GLU A 64 -1.505 -14.814 5.951 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -0.645 -15.651 6.302 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -2.464 -15.026 5.178 1.00 0.00 O ATOM 0 H GLU A 64 -3.632 -12.053 7.847 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.104 -14.846 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.428 -12.388 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.773 -14.012 8.500 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.114 -12.748 6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.391 -12.994 6.266 1.00 0.00 H new ATOM 1107 N ILE A 69 -5.788 -18.033 4.963 1.00 0.00 N ATOM 1108 CA ILE A 69 -6.110 -17.441 3.676 1.00 0.00 C ATOM 1109 C ILE A 69 -4.829 -16.913 3.027 1.00 0.00 C ATOM 1110 O ILE A 69 -3.870 -16.578 3.721 1.00 0.00 O ATOM 1111 CB ILE A 69 -7.202 -16.381 3.832 1.00 0.00 C ATOM 1112 CG1 ILE A 69 -8.523 -17.015 4.275 1.00 0.00 C ATOM 1113 CG2 ILE A 69 -7.361 -15.564 2.549 1.00 0.00 C ATOM 1114 CD1 ILE A 69 -9.690 -16.047 4.075 1.00 0.00 C ATOM 0 HA ILE A 69 -6.522 -18.193 3.003 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.897 -15.690 4.618 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.701 -17.928 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.459 -17.301 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -8.144 -14.818 2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.420 -15.065 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.633 -16.226 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.616 -16.522 4.398 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.520 -15.146 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -9.766 -15.782 3.020 1.00 0.00 H new ATOM 1126 N VAL A 70 -4.854 -16.854 1.704 1.00 0.00 N ATOM 1127 CA VAL A 70 -3.707 -16.373 0.954 1.00 0.00 C ATOM 1128 C VAL A 70 -3.866 -14.874 0.693 1.00 0.00 C ATOM 1129 O VAL A 70 -4.618 -14.470 -0.193 1.00 0.00 O ATOM 1130 CB VAL A 70 -3.541 -17.188 -0.330 1.00 0.00 C ATOM 1131 CG1 VAL A 70 -2.420 -16.619 -1.201 1.00 0.00 C ATOM 1132 CG2 VAL A 70 -3.294 -18.665 -0.014 1.00 0.00 C ATOM 0 H VAL A 70 -5.651 -17.132 1.132 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.791 -16.508 1.530 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.471 -17.117 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.324 -17.217 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.655 -15.589 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.481 -16.644 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.180 -19.222 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.386 -18.763 0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.140 -19.064 0.546 1.00 0.00 H new ATOM 1142 N VAL A 71 -3.147 -14.089 1.482 1.00 0.00 N ATOM 1143 CA VAL A 71 -3.199 -12.643 1.348 1.00 0.00 C ATOM 1144 C VAL A 71 -2.095 -12.184 0.393 1.00 0.00 C ATOM 1145 O VAL A 71 -0.973 -12.685 0.448 1.00 0.00 O ATOM 1146 CB VAL A 71 -3.108 -11.986 2.727 1.00 0.00 C ATOM 1147 CG1 VAL A 71 -3.484 -10.505 2.654 1.00 0.00 C ATOM 1148 CG2 VAL A 71 -3.981 -12.724 3.744 1.00 0.00 C ATOM 0 H VAL A 71 -2.525 -14.427 2.216 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.151 -12.333 0.917 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.073 -12.053 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.411 -10.062 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.804 -9.990 1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.506 -10.407 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.898 -12.237 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.020 -12.703 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.647 -13.758 3.827 1.00 0.00 H new ATOM 1158 N PRO A 72 -2.461 -11.210 -0.483 1.00 0.00 N ATOM 1159 CA PRO A 72 -1.515 -10.677 -1.448 1.00 0.00 C ATOM 1160 C PRO A 72 -0.511 -9.741 -0.773 1.00 0.00 C ATOM 1161 O PRO A 72 -0.694 -9.357 0.382 1.00 0.00 O ATOM 1162 CB PRO A 72 -2.370 -9.978 -2.492 1.00 0.00 C ATOM 1163 CG PRO A 72 -3.721 -9.743 -1.836 1.00 0.00 C ATOM 1164 CD PRO A 72 -3.781 -10.592 -0.576 1.00 0.00 C ATOM 0 HA PRO A 72 -0.902 -11.452 -1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.917 -9.036 -2.801 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.472 -10.591 -3.387 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -3.849 -8.688 -1.592 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.528 -10.013 -2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.996 -9.983 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.567 -11.344 -0.642 1.00 0.00 H new ATOM 1172 N PRO A 73 0.555 -9.390 -1.541 1.00 0.00 N ATOM 1173 CA PRO A 73 1.588 -8.506 -1.030 1.00 0.00 C ATOM 1174 C PRO A 73 1.098 -7.057 -0.987 1.00 0.00 C ATOM 1175 O PRO A 73 0.355 -6.623 -1.867 1.00 0.00 O ATOM 1176 CB PRO A 73 2.773 -8.705 -1.960 1.00 0.00 C ATOM 1177 CG PRO A 73 2.210 -9.338 -3.223 1.00 0.00 C ATOM 1178 CD PRO A 73 0.804 -9.825 -2.913 1.00 0.00 C ATOM 0 HA PRO A 73 1.865 -8.734 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.259 -7.755 -2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.525 -9.348 -1.503 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.192 -8.614 -4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.839 -10.167 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.076 -9.397 -3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.731 -10.909 -3.004 1.00 0.00 H new ATOM 1186 N LEU A 74 1.534 -6.348 0.044 1.00 0.00 N ATOM 1187 CA LEU A 74 1.149 -4.957 0.212 1.00 0.00 C ATOM 1188 C LEU A 74 2.266 -4.056 -0.318 1.00 0.00 C ATOM 1189 O LEU A 74 3.438 -4.428 -0.284 1.00 0.00 O ATOM 1190 CB LEU A 74 0.772 -4.678 1.668 1.00 0.00 C ATOM 1191 CG LEU A 74 -0.667 -5.011 2.064 1.00 0.00 C ATOM 1192 CD1 LEU A 74 -0.844 -4.964 3.583 1.00 0.00 C ATOM 1193 CD2 LEU A 74 -1.660 -4.097 1.343 1.00 0.00 C ATOM 0 H LEU A 74 2.150 -6.711 0.771 1.00 0.00 H new ATOM 0 HA LEU A 74 0.256 -4.735 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.445 -5.244 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.949 -3.622 1.872 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.880 -6.032 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.876 -5.205 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.177 -5.689 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.605 -3.965 3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.676 -4.355 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.457 -3.059 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.556 -4.225 0.266 1.00 0.00 H new ATOM 1205 N PRO A 75 1.853 -2.857 -0.808 1.00 0.00 N ATOM 1206 CA PRO A 75 2.806 -1.899 -1.344 1.00 0.00 C ATOM 1207 C PRO A 75 3.583 -1.211 -0.220 1.00 0.00 C ATOM 1208 O PRO A 75 3.503 0.006 -0.059 1.00 0.00 O ATOM 1209 CB PRO A 75 1.970 -0.932 -2.167 1.00 0.00 C ATOM 1210 CG PRO A 75 0.539 -1.105 -1.686 1.00 0.00 C ATOM 1211 CD PRO A 75 0.474 -2.382 -0.864 1.00 0.00 C ATOM 0 HA PRO A 75 3.572 -2.368 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.308 0.095 -2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.054 -1.152 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.232 -0.249 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.144 -1.161 -2.533 1.00 0.00 H new ATOM 0 HD2 PRO A 75 0.080 -2.191 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -0.180 -3.119 -1.329 1.00 0.00 H new ATOM 1219 N GLY A 76 4.318 -2.020 0.529 1.00 0.00 N ATOM 1220 CA GLY A 76 5.110 -1.505 1.633 1.00 0.00 C ATOM 1221 C GLY A 76 6.585 -1.388 1.242 1.00 0.00 C ATOM 1222 O GLY A 76 7.263 -2.398 1.056 1.00 0.00 O ATOM 0 H GLY A 76 4.382 -3.029 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.731 -0.528 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.010 -2.164 2.496 1.00 0.00 H new ATOM 1512 N GLU A 94 3.720 12.677 -6.500 1.00 0.00 N ATOM 1513 CA GLU A 94 2.574 11.943 -7.009 1.00 0.00 C ATOM 1514 C GLU A 94 2.921 10.462 -7.171 1.00 0.00 C ATOM 1515 O GLU A 94 2.136 9.592 -6.797 1.00 0.00 O ATOM 1516 CB GLU A 94 2.084 12.539 -8.330 1.00 0.00 C ATOM 1517 CG GLU A 94 1.394 13.886 -8.102 1.00 0.00 C ATOM 1518 CD GLU A 94 0.054 13.947 -8.838 1.00 0.00 C ATOM 1519 OE1 GLU A 94 0.085 13.852 -10.084 1.00 0.00 O ATOM 1520 OE2 GLU A 94 -0.972 14.087 -8.137 1.00 0.00 O ATOM 0 HA GLU A 94 1.762 12.029 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.927 12.668 -9.009 1.00 0.00 H new ATOM 0 HB3 GLU A 94 1.391 11.848 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.234 14.041 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.040 14.693 -8.448 1.00 0.00 H new ATOM 1527 N SER A 95 4.099 10.221 -7.728 1.00 0.00 N ATOM 1528 CA SER A 95 4.560 8.860 -7.944 1.00 0.00 C ATOM 1529 C SER A 95 4.264 8.006 -6.710 1.00 0.00 C ATOM 1530 O SER A 95 3.548 7.009 -6.798 1.00 0.00 O ATOM 1531 CB SER A 95 6.055 8.830 -8.265 1.00 0.00 C ATOM 1532 OG SER A 95 6.306 8.404 -9.602 1.00 0.00 O ATOM 0 H SER A 95 4.748 10.945 -8.036 1.00 0.00 H new ATOM 0 HA SER A 95 4.024 8.448 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.478 9.824 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.562 8.160 -7.570 1.00 0.00 H new ATOM 0 HG SER A 95 7.272 8.400 -9.768 1.00 0.00 H new ATOM 1538 N PHE A 96 4.831 8.426 -5.589 1.00 0.00 N ATOM 1539 CA PHE A 96 4.638 7.712 -4.339 1.00 0.00 C ATOM 1540 C PHE A 96 3.163 7.363 -4.129 1.00 0.00 C ATOM 1541 O PHE A 96 2.819 6.199 -3.928 1.00 0.00 O ATOM 1542 CB PHE A 96 5.093 8.645 -3.215 1.00 0.00 C ATOM 1543 CG PHE A 96 4.912 8.064 -1.811 1.00 0.00 C ATOM 1544 CD1 PHE A 96 5.509 6.887 -1.481 1.00 0.00 C ATOM 1545 CD2 PHE A 96 4.155 8.723 -0.894 1.00 0.00 C ATOM 1546 CE1 PHE A 96 5.341 6.347 -0.178 1.00 0.00 C ATOM 1547 CE2 PHE A 96 3.988 8.184 0.408 1.00 0.00 C ATOM 1548 CZ PHE A 96 4.584 7.007 0.739 1.00 0.00 C ATOM 0 H PHE A 96 5.425 9.253 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 96 5.206 6.782 -4.351 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.145 8.889 -3.363 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.536 9.579 -3.285 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.110 6.363 -2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.681 9.657 -1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.814 5.412 0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.387 8.709 1.136 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.456 6.597 1.730 1.00 0.00 H new ATOM 1558 N ILE A 97 2.330 8.393 -4.184 1.00 0.00 N ATOM 1559 CA ILE A 97 0.900 8.209 -4.003 1.00 0.00 C ATOM 1560 C ILE A 97 0.393 7.170 -5.004 1.00 0.00 C ATOM 1561 O ILE A 97 -0.112 6.119 -4.611 1.00 0.00 O ATOM 1562 CB ILE A 97 0.173 9.553 -4.089 1.00 0.00 C ATOM 1563 CG1 ILE A 97 0.579 10.471 -2.934 1.00 0.00 C ATOM 1564 CG2 ILE A 97 -1.342 9.352 -4.157 1.00 0.00 C ATOM 1565 CD1 ILE A 97 1.065 11.825 -3.455 1.00 0.00 C ATOM 0 H ILE A 97 2.618 9.357 -4.351 1.00 0.00 H new ATOM 0 HA ILE A 97 0.688 7.821 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 97 0.474 10.047 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.270 10.618 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.368 9.998 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -1.835 10.322 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.592 8.762 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.680 8.828 -3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.347 12.458 -2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.928 11.677 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.266 12.306 -4.019 1.00 0.00 H new ATOM 1577 N GLU A 98 0.544 7.500 -6.278 1.00 0.00 N ATOM 1578 CA GLU A 98 0.108 6.608 -7.339 1.00 0.00 C ATOM 1579 C GLU A 98 0.508 5.166 -7.019 1.00 0.00 C ATOM 1580 O GLU A 98 -0.344 4.282 -6.951 1.00 0.00 O ATOM 1581 CB GLU A 98 0.672 7.046 -8.692 1.00 0.00 C ATOM 1582 CG GLU A 98 -0.444 7.208 -9.725 1.00 0.00 C ATOM 1583 CD GLU A 98 0.038 8.020 -10.930 1.00 0.00 C ATOM 1584 OE1 GLU A 98 1.231 7.873 -11.272 1.00 0.00 O ATOM 1585 OE2 GLU A 98 -0.798 8.768 -11.481 1.00 0.00 O ATOM 0 H GLU A 98 0.962 8.373 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.979 6.657 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.207 7.989 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.394 6.310 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.784 6.226 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.300 7.704 -9.267 1.00 0.00 H new ATOM 1592 N GLU A 99 1.805 4.974 -6.831 1.00 0.00 N ATOM 1593 CA GLU A 99 2.329 3.655 -6.519 1.00 0.00 C ATOM 1594 C GLU A 99 1.405 2.936 -5.535 1.00 0.00 C ATOM 1595 O GLU A 99 0.816 1.908 -5.868 1.00 0.00 O ATOM 1596 CB GLU A 99 3.753 3.747 -5.967 1.00 0.00 C ATOM 1597 CG GLU A 99 4.668 2.720 -6.637 1.00 0.00 C ATOM 1598 CD GLU A 99 5.192 1.705 -5.619 1.00 0.00 C ATOM 1599 OE1 GLU A 99 6.230 2.011 -4.995 1.00 0.00 O ATOM 1600 OE2 GLU A 99 4.542 0.645 -5.489 1.00 0.00 O ATOM 0 H GLU A 99 2.509 5.710 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 99 2.369 3.074 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.146 4.751 -6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.741 3.581 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.122 2.201 -7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.506 3.230 -7.112 1.00 0.00 H new ATOM 1607 N ARG A 100 1.306 3.504 -4.342 1.00 0.00 N ATOM 1608 CA ARG A 100 0.463 2.930 -3.307 1.00 0.00 C ATOM 1609 C ARG A 100 -0.989 2.856 -3.785 1.00 0.00 C ATOM 1610 O ARG A 100 -1.620 1.803 -3.703 1.00 0.00 O ATOM 1611 CB ARG A 100 0.528 3.757 -2.022 1.00 0.00 C ATOM 1612 CG ARG A 100 0.649 2.853 -0.793 1.00 0.00 C ATOM 1613 CD ARG A 100 1.503 3.513 0.291 1.00 0.00 C ATOM 1614 NE ARG A 100 2.836 2.872 0.346 1.00 0.00 N ATOM 1615 CZ ARG A 100 3.850 3.312 1.103 1.00 0.00 C ATOM 1616 NH1 ARG A 100 3.690 4.397 1.874 1.00 0.00 N ATOM 1617 NH2 ARG A 100 5.025 2.668 1.090 1.00 0.00 N ATOM 0 H ARG A 100 1.796 4.356 -4.069 1.00 0.00 H new ATOM 0 HA ARG A 100 0.832 1.926 -3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.380 4.435 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -0.366 4.374 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.343 2.636 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 100 1.093 1.900 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.611 4.577 0.083 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.008 3.426 1.258 1.00 0.00 H new ATOM 0 HE ARG A 100 2.992 2.044 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.796 4.888 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.462 4.732 2.450 1.00 0.00 H new ATOM 0 HH21 ARG A 100 5.148 1.842 0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.797 3.003 1.666 1.00 0.00 H new ATOM 1631 N ARG A 101 -1.475 3.987 -4.274 1.00 0.00 N ATOM 1632 CA ARG A 101 -2.841 4.064 -4.765 1.00 0.00 C ATOM 1633 C ARG A 101 -3.202 2.789 -5.529 1.00 0.00 C ATOM 1634 O ARG A 101 -4.060 2.022 -5.094 1.00 0.00 O ATOM 1635 CB ARG A 101 -3.028 5.272 -5.685 1.00 0.00 C ATOM 1636 CG ARG A 101 -4.485 5.396 -6.136 1.00 0.00 C ATOM 1637 CD ARG A 101 -4.636 6.479 -7.207 1.00 0.00 C ATOM 1638 NE ARG A 101 -3.938 6.067 -8.445 1.00 0.00 N ATOM 1639 CZ ARG A 101 -4.004 6.738 -9.603 1.00 0.00 C ATOM 1640 NH1 ARG A 101 -4.735 7.857 -9.689 1.00 0.00 N ATOM 1641 NH2 ARG A 101 -3.337 6.289 -10.676 1.00 0.00 N ATOM 0 H ARG A 101 -0.948 4.858 -4.341 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.498 4.174 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.726 6.181 -5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -2.381 5.174 -6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.831 4.440 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.116 5.635 -5.280 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.692 6.651 -7.415 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.225 7.421 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 101 -3.371 5.219 -8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.242 8.199 -8.873 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.785 8.367 -10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.780 5.437 -10.610 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.387 6.799 -11.558 1.00 0.00 H new ATOM 1655 N GLN A 102 -2.530 2.601 -6.656 1.00 0.00 N ATOM 1656 CA GLN A 102 -2.770 1.432 -7.485 1.00 0.00 C ATOM 1657 C GLN A 102 -2.474 0.154 -6.698 1.00 0.00 C ATOM 1658 O GLN A 102 -3.246 -0.803 -6.747 1.00 0.00 O ATOM 1659 CB GLN A 102 -1.940 1.491 -8.768 1.00 0.00 C ATOM 1660 CG GLN A 102 -2.530 2.498 -9.758 1.00 0.00 C ATOM 1661 CD GLN A 102 -1.955 2.289 -11.160 1.00 0.00 C ATOM 1662 OE1 GLN A 102 -2.412 1.461 -11.930 1.00 0.00 O ATOM 1663 NE2 GLN A 102 -0.929 3.085 -11.448 1.00 0.00 N ATOM 0 H GLN A 102 -1.819 3.239 -7.014 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.822 1.423 -7.772 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.914 1.770 -8.529 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -1.903 0.503 -9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.615 2.393 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.317 3.512 -9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.595 3.757 -10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.476 3.023 -12.360 1.00 0.00 H new ATOM 1672 N GLY A 103 -1.355 0.178 -5.990 1.00 0.00 N ATOM 1673 CA GLY A 103 -0.947 -0.967 -5.194 1.00 0.00 C ATOM 1674 C GLY A 103 -2.120 -1.510 -4.374 1.00 0.00 C ATOM 1675 O GLY A 103 -2.602 -2.612 -4.629 1.00 0.00 O ATOM 0 H GLY A 103 -0.717 0.973 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -0.562 -1.750 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.134 -0.680 -4.527 1.00 0.00 H new ATOM 1679 N LEU A 104 -2.545 -0.710 -3.407 1.00 0.00 N ATOM 1680 CA LEU A 104 -3.652 -1.097 -2.549 1.00 0.00 C ATOM 1681 C LEU A 104 -4.820 -1.573 -3.414 1.00 0.00 C ATOM 1682 O LEU A 104 -5.232 -2.729 -3.325 1.00 0.00 O ATOM 1683 CB LEU A 104 -4.016 0.045 -1.598 1.00 0.00 C ATOM 1684 CG LEU A 104 -2.900 0.527 -0.670 1.00 0.00 C ATOM 1685 CD1 LEU A 104 -3.277 1.849 0.002 1.00 0.00 C ATOM 1686 CD2 LEU A 104 -2.533 -0.550 0.353 1.00 0.00 C ATOM 0 H LEU A 104 -2.143 0.204 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 104 -3.366 -1.934 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.357 0.892 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.859 -0.274 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.012 0.714 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.466 2.169 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.449 2.609 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.185 1.713 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.737 -0.181 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.408 -0.792 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.192 -1.445 -0.167 1.00 0.00 H new ATOM 1698 N GLU A 105 -5.321 -0.658 -4.231 1.00 0.00 N ATOM 1699 CA GLU A 105 -6.434 -0.971 -5.112 1.00 0.00 C ATOM 1700 C GLU A 105 -6.280 -2.382 -5.682 1.00 0.00 C ATOM 1701 O GLU A 105 -7.194 -3.199 -5.581 1.00 0.00 O ATOM 1702 CB GLU A 105 -6.553 0.064 -6.233 1.00 0.00 C ATOM 1703 CG GLU A 105 -7.972 0.090 -6.805 1.00 0.00 C ATOM 1704 CD GLU A 105 -7.945 0.094 -8.335 1.00 0.00 C ATOM 1705 OE1 GLU A 105 -7.267 0.987 -8.889 1.00 0.00 O ATOM 1706 OE2 GLU A 105 -8.604 -0.795 -8.916 1.00 0.00 O ATOM 0 H GLU A 105 -4.977 0.300 -4.302 1.00 0.00 H new ATOM 0 HA GLU A 105 -7.355 -0.935 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.293 1.051 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -5.842 -0.169 -7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.527 -0.778 -6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -8.497 0.974 -6.444 1.00 0.00 H new ATOM 1713 N GLN A 106 -5.117 -2.625 -6.268 1.00 0.00 N ATOM 1714 CA GLN A 106 -4.831 -3.923 -6.855 1.00 0.00 C ATOM 1715 C GLN A 106 -4.927 -5.019 -5.791 1.00 0.00 C ATOM 1716 O GLN A 106 -5.650 -5.998 -5.967 1.00 0.00 O ATOM 1717 CB GLN A 106 -3.457 -3.931 -7.528 1.00 0.00 C ATOM 1718 CG GLN A 106 -3.586 -3.727 -9.038 1.00 0.00 C ATOM 1719 CD GLN A 106 -2.850 -4.829 -9.804 1.00 0.00 C ATOM 1720 OE1 GLN A 106 -2.731 -5.958 -9.358 1.00 0.00 O ATOM 1721 NE2 GLN A 106 -2.364 -4.439 -10.980 1.00 0.00 N ATOM 0 H GLN A 106 -4.361 -1.945 -6.349 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.576 -4.124 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.835 -3.143 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.955 -4.877 -7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -4.639 -3.724 -9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.180 -2.754 -9.313 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.499 -3.478 -11.294 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -1.857 -5.101 -11.567 1.00 0.00 H new ATOM 1730 N PHE A 107 -4.187 -4.817 -4.711 1.00 0.00 N ATOM 1731 CA PHE A 107 -4.179 -5.775 -3.619 1.00 0.00 C ATOM 1732 C PHE A 107 -5.605 -6.143 -3.202 1.00 0.00 C ATOM 1733 O PHE A 107 -5.987 -7.311 -3.249 1.00 0.00 O ATOM 1734 CB PHE A 107 -3.473 -5.104 -2.439 1.00 0.00 C ATOM 1735 CG PHE A 107 -3.829 -5.703 -1.077 1.00 0.00 C ATOM 1736 CD1 PHE A 107 -4.890 -5.218 -0.378 1.00 0.00 C ATOM 1737 CD2 PHE A 107 -3.086 -6.721 -0.567 1.00 0.00 C ATOM 1738 CE1 PHE A 107 -5.220 -5.774 0.886 1.00 0.00 C ATOM 1739 CE2 PHE A 107 -3.416 -7.277 0.697 1.00 0.00 C ATOM 1740 CZ PHE A 107 -4.477 -6.792 1.397 1.00 0.00 C ATOM 0 H PHE A 107 -3.588 -4.003 -4.569 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.672 -6.689 -3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.395 -5.176 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.724 -4.043 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.481 -4.410 -0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -2.245 -7.107 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.062 -5.388 1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.825 -8.085 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.729 -7.215 2.358 1.00 0.00 H new ATOM 1750 N ILE A 108 -6.352 -5.124 -2.804 1.00 0.00 N ATOM 1751 CA ILE A 108 -7.727 -5.325 -2.379 1.00 0.00 C ATOM 1752 C ILE A 108 -8.531 -5.924 -3.535 1.00 0.00 C ATOM 1753 O ILE A 108 -9.365 -6.804 -3.326 1.00 0.00 O ATOM 1754 CB ILE A 108 -8.314 -4.023 -1.830 1.00 0.00 C ATOM 1755 CG1 ILE A 108 -9.640 -4.280 -1.111 1.00 0.00 C ATOM 1756 CG2 ILE A 108 -8.456 -2.977 -2.938 1.00 0.00 C ATOM 1757 CD1 ILE A 108 -9.403 -4.846 0.291 1.00 0.00 C ATOM 0 H ILE A 108 -6.031 -4.156 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 108 -7.771 -6.039 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.621 -3.619 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.206 -3.351 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -10.243 -4.978 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.875 -2.061 -2.522 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.476 -2.766 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.118 -3.358 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.362 -5.020 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.858 -5.787 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.820 -4.135 0.877 1.00 0.00 H new ATOM 1769 N ASN A 109 -8.252 -5.423 -4.729 1.00 0.00 N ATOM 1770 CA ASN A 109 -8.939 -5.897 -5.919 1.00 0.00 C ATOM 1771 C ASN A 109 -8.847 -7.423 -5.981 1.00 0.00 C ATOM 1772 O ASN A 109 -9.839 -8.098 -6.252 1.00 0.00 O ATOM 1773 CB ASN A 109 -8.296 -5.333 -7.188 1.00 0.00 C ATOM 1774 CG ASN A 109 -9.175 -4.246 -7.810 1.00 0.00 C ATOM 1775 OD1 ASN A 109 -9.781 -4.424 -8.854 1.00 0.00 O ATOM 1776 ND2 ASN A 109 -9.209 -3.113 -7.113 1.00 0.00 N ATOM 0 H ASN A 109 -7.560 -4.693 -4.898 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.976 -5.567 -5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.315 -4.921 -6.951 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.139 -6.136 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.767 -2.326 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.677 -3.031 -6.246 1.00 0.00 H new ATOM 1783 N LYS A 110 -7.647 -7.923 -5.725 1.00 0.00 N ATOM 1784 CA LYS A 110 -7.413 -9.357 -5.749 1.00 0.00 C ATOM 1785 C LYS A 110 -7.925 -9.974 -4.446 1.00 0.00 C ATOM 1786 O LYS A 110 -8.515 -11.054 -4.456 1.00 0.00 O ATOM 1787 CB LYS A 110 -5.939 -9.655 -6.033 1.00 0.00 C ATOM 1788 CG LYS A 110 -5.758 -10.235 -7.437 1.00 0.00 C ATOM 1789 CD LYS A 110 -4.949 -11.533 -7.394 1.00 0.00 C ATOM 1790 CE LYS A 110 -4.272 -11.802 -8.739 1.00 0.00 C ATOM 1791 NZ LYS A 110 -3.518 -13.075 -8.694 1.00 0.00 N ATOM 0 H LYS A 110 -6.826 -7.361 -5.500 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.970 -9.821 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.354 -8.741 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.557 -10.358 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.734 -10.425 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.252 -9.508 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.195 -11.470 -6.609 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -5.604 -12.366 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -5.022 -11.845 -9.528 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.598 -10.981 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.065 -13.243 -9.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.789 -13.021 -7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.170 -13.857 -8.482 1.00 0.00 H new ATOM 1805 N ILE A 111 -7.680 -9.263 -3.355 1.00 0.00 N ATOM 1806 CA ILE A 111 -8.109 -9.727 -2.047 1.00 0.00 C ATOM 1807 C ILE A 111 -9.623 -9.948 -2.060 1.00 0.00 C ATOM 1808 O ILE A 111 -10.114 -10.940 -1.522 1.00 0.00 O ATOM 1809 CB ILE A 111 -7.637 -8.765 -0.955 1.00 0.00 C ATOM 1810 CG1 ILE A 111 -6.856 -9.507 0.131 1.00 0.00 C ATOM 1811 CG2 ILE A 111 -8.812 -7.973 -0.377 1.00 0.00 C ATOM 1812 CD1 ILE A 111 -7.763 -9.868 1.309 1.00 0.00 C ATOM 0 H ILE A 111 -7.190 -8.369 -3.350 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.648 -10.687 -1.814 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.954 -8.045 -1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.418 -10.414 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.031 -8.886 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -8.449 -7.297 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.287 -7.395 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -9.538 -8.662 0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.183 -10.395 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -8.180 -8.958 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -8.573 -10.509 0.961 1.00 0.00 H new ATOM 1824 N ALA A 112 -10.321 -9.007 -2.679 1.00 0.00 N ATOM 1825 CA ALA A 112 -11.769 -9.087 -2.769 1.00 0.00 C ATOM 1826 C ALA A 112 -12.159 -10.355 -3.530 1.00 0.00 C ATOM 1827 O ALA A 112 -12.835 -11.227 -2.986 1.00 0.00 O ATOM 1828 CB ALA A 112 -12.309 -7.819 -3.432 1.00 0.00 C ATOM 0 H ALA A 112 -9.911 -8.185 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 112 -12.213 -9.150 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.395 -7.878 -3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.030 -6.950 -2.837 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.888 -7.724 -4.433 1.00 0.00 H new ATOM 1834 N GLY A 113 -11.717 -10.418 -4.778 1.00 0.00 N ATOM 1835 CA GLY A 113 -12.012 -11.565 -5.620 1.00 0.00 C ATOM 1836 C GLY A 113 -11.983 -12.862 -4.809 1.00 0.00 C ATOM 1837 O GLY A 113 -12.754 -13.783 -5.075 1.00 0.00 O ATOM 0 H GLY A 113 -11.157 -9.693 -5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.993 -11.441 -6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -11.285 -11.622 -6.430 1.00 0.00 H new ATOM 1841 N HIS A 114 -11.085 -12.893 -3.835 1.00 0.00 N ATOM 1842 CA HIS A 114 -10.946 -14.062 -2.983 1.00 0.00 C ATOM 1843 C HIS A 114 -12.301 -14.412 -2.365 1.00 0.00 C ATOM 1844 O HIS A 114 -12.985 -13.543 -1.827 1.00 0.00 O ATOM 1845 CB HIS A 114 -9.854 -13.842 -1.933 1.00 0.00 C ATOM 1846 CG HIS A 114 -9.077 -15.089 -1.585 1.00 0.00 C ATOM 1847 ND1 HIS A 114 -9.534 -16.029 -0.678 1.00 0.00 N ATOM 1848 CD2 HIS A 114 -7.870 -15.540 -2.032 1.00 0.00 C ATOM 1849 CE1 HIS A 114 -8.634 -16.997 -0.590 1.00 0.00 C ATOM 1850 NE2 HIS A 114 -7.603 -16.692 -1.429 1.00 0.00 N ATOM 0 H HIS A 114 -10.447 -12.128 -3.617 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.628 -14.916 -3.581 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.161 -13.084 -2.298 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.311 -13.446 -1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -7.238 -15.044 -2.754 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -8.704 -17.874 0.036 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -6.765 -17.256 -1.570 1.00 0.00 H new ATOM 1858 N PRO A 115 -12.658 -15.720 -2.466 1.00 0.00 N ATOM 1859 CA PRO A 115 -13.919 -16.196 -1.924 1.00 0.00 C ATOM 1860 C PRO A 115 -13.857 -16.295 -0.398 1.00 0.00 C ATOM 1861 O PRO A 115 -14.815 -15.946 0.290 1.00 0.00 O ATOM 1862 CB PRO A 115 -14.155 -17.539 -2.597 1.00 0.00 C ATOM 1863 CG PRO A 115 -12.803 -17.979 -3.134 1.00 0.00 C ATOM 1864 CD PRO A 115 -11.873 -16.778 -3.097 1.00 0.00 C ATOM 0 HA PRO A 115 -14.746 -15.515 -2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -14.550 -18.267 -1.888 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -14.885 -17.450 -3.402 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -12.400 -18.793 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -12.901 -18.355 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -10.970 -16.994 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -11.556 -16.492 -4.100 1.00 0.00 H new ATOM 1872 N LEU A 116 -12.720 -16.773 0.087 1.00 0.00 N ATOM 1873 CA LEU A 116 -12.521 -16.922 1.518 1.00 0.00 C ATOM 1874 C LEU A 116 -12.665 -15.557 2.194 1.00 0.00 C ATOM 1875 O LEU A 116 -13.275 -15.447 3.256 1.00 0.00 O ATOM 1876 CB LEU A 116 -11.185 -17.611 1.804 1.00 0.00 C ATOM 1877 CG LEU A 116 -10.923 -18.910 1.039 1.00 0.00 C ATOM 1878 CD1 LEU A 116 -9.841 -19.743 1.727 1.00 0.00 C ATOM 1879 CD2 LEU A 116 -12.218 -19.701 0.842 1.00 0.00 C ATOM 0 H LEU A 116 -11.927 -17.062 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 116 -13.286 -17.571 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -10.382 -16.910 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -11.130 -17.824 2.872 1.00 0.00 H new ATOM 0 HG LEU A 116 -10.549 -18.653 0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -9.674 -20.661 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -8.914 -19.171 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.162 -19.992 2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.004 -20.620 0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.645 -19.948 1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -12.929 -19.100 0.276 1.00 0.00 H new ATOM 1891 N ALA A 117 -12.093 -14.550 1.550 1.00 0.00 N ATOM 1892 CA ALA A 117 -12.151 -13.197 2.075 1.00 0.00 C ATOM 1893 C ALA A 117 -13.592 -12.688 2.005 1.00 0.00 C ATOM 1894 O ALA A 117 -14.129 -12.197 2.997 1.00 0.00 O ATOM 1895 CB ALA A 117 -11.180 -12.305 1.298 1.00 0.00 C ATOM 0 H ALA A 117 -11.587 -14.644 0.669 1.00 0.00 H new ATOM 0 HA ALA A 117 -11.845 -13.179 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.224 -11.290 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -10.166 -12.692 1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -11.457 -12.297 0.244 1.00 0.00 H new ATOM 1901 N GLN A 118 -14.177 -12.823 0.824 1.00 0.00 N ATOM 1902 CA GLN A 118 -15.545 -12.383 0.612 1.00 0.00 C ATOM 1903 C GLN A 118 -16.422 -12.785 1.800 1.00 0.00 C ATOM 1904 O GLN A 118 -17.423 -12.129 2.087 1.00 0.00 O ATOM 1905 CB GLN A 118 -16.105 -12.943 -0.697 1.00 0.00 C ATOM 1906 CG GLN A 118 -15.648 -12.103 -1.892 1.00 0.00 C ATOM 1907 CD GLN A 118 -16.097 -12.737 -3.211 1.00 0.00 C ATOM 1908 OE1 GLN A 118 -16.894 -13.660 -3.246 1.00 0.00 O ATOM 1909 NE2 GLN A 118 -15.541 -12.192 -4.289 1.00 0.00 N ATOM 0 H GLN A 118 -13.728 -13.231 0.004 1.00 0.00 H new ATOM 0 HA GLN A 118 -15.548 -11.296 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -15.776 -13.974 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -17.194 -12.959 -0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -16.057 -11.096 -1.811 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -14.562 -12.008 -1.881 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -14.881 -11.421 -4.188 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -15.775 -12.545 -5.217 1.00 0.00 H new ATOM 1918 N ASN A 119 -16.015 -13.861 2.457 1.00 0.00 N ATOM 1919 CA ASN A 119 -16.751 -14.358 3.607 1.00 0.00 C ATOM 1920 C ASN A 119 -16.195 -13.716 4.880 1.00 0.00 C ATOM 1921 O ASN A 119 -16.954 -13.326 5.765 1.00 0.00 O ATOM 1922 CB ASN A 119 -16.606 -15.875 3.740 1.00 0.00 C ATOM 1923 CG ASN A 119 -17.933 -16.519 4.147 1.00 0.00 C ATOM 1924 OD1 ASN A 119 -18.614 -16.077 5.057 1.00 0.00 O ATOM 1925 ND2 ASN A 119 -18.260 -17.587 3.424 1.00 0.00 N ATOM 0 H ASN A 119 -15.185 -14.402 2.215 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.803 -14.107 3.468 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -16.269 -16.296 2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -15.842 -16.107 4.482 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.127 -18.088 3.618 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -17.644 -17.904 2.676 1.00 0.00 H new ATOM 1932 N GLU A 120 -14.874 -13.628 4.931 1.00 0.00 N ATOM 1933 CA GLU A 120 -14.207 -13.041 6.080 1.00 0.00 C ATOM 1934 C GLU A 120 -14.951 -11.785 6.541 1.00 0.00 C ATOM 1935 O GLU A 120 -15.540 -11.075 5.728 1.00 0.00 O ATOM 1936 CB GLU A 120 -12.744 -12.726 5.764 1.00 0.00 C ATOM 1937 CG GLU A 120 -11.881 -13.986 5.850 1.00 0.00 C ATOM 1938 CD GLU A 120 -11.979 -14.624 7.238 1.00 0.00 C ATOM 1939 OE1 GLU A 120 -11.330 -14.081 8.159 1.00 0.00 O ATOM 1940 OE2 GLU A 120 -12.700 -15.639 7.346 1.00 0.00 O ATOM 0 H GLU A 120 -14.248 -13.954 4.195 1.00 0.00 H new ATOM 0 HA GLU A 120 -14.220 -13.767 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -12.668 -12.297 4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -12.371 -11.977 6.462 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -12.201 -14.702 5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -10.843 -13.735 5.633 1.00 0.00 H new ATOM 1947 N ARG A 121 -14.899 -11.551 7.844 1.00 0.00 N ATOM 1948 CA ARG A 121 -15.560 -10.394 8.423 1.00 0.00 C ATOM 1949 C ARG A 121 -14.635 -9.176 8.379 1.00 0.00 C ATOM 1950 O ARG A 121 -15.048 -8.093 7.968 1.00 0.00 O ATOM 1951 CB ARG A 121 -15.970 -10.661 9.873 1.00 0.00 C ATOM 1952 CG ARG A 121 -17.471 -10.436 10.068 1.00 0.00 C ATOM 1953 CD ARG A 121 -18.282 -11.578 9.452 1.00 0.00 C ATOM 1954 NE ARG A 121 -19.665 -11.559 9.979 1.00 0.00 N ATOM 1955 CZ ARG A 121 -20.632 -12.396 9.581 1.00 0.00 C ATOM 1956 NH1 ARG A 121 -20.373 -13.325 8.650 1.00 0.00 N ATOM 1957 NH2 ARG A 121 -21.858 -12.306 10.114 1.00 0.00 N ATOM 0 H ARG A 121 -14.409 -12.143 8.515 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.456 -10.196 7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.714 -11.685 10.145 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.411 -10.005 10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.695 -10.359 11.132 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.763 -9.490 9.611 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -18.296 -11.480 8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.810 -12.534 9.680 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.896 -10.865 10.690 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -19.440 -13.394 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.109 -13.962 8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -22.055 -11.600 10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.594 -12.944 9.811 1.00 0.00 H new ATOM 1971 N CYS A 122 -13.400 -9.395 8.807 1.00 0.00 N ATOM 1972 CA CYS A 122 -12.413 -8.329 8.821 1.00 0.00 C ATOM 1973 C CYS A 122 -12.536 -7.543 7.515 1.00 0.00 C ATOM 1974 O CYS A 122 -12.483 -6.314 7.518 1.00 0.00 O ATOM 1975 CB CYS A 122 -10.998 -8.872 9.029 1.00 0.00 C ATOM 1976 SG CYS A 122 -10.756 -10.388 8.033 1.00 0.00 S ATOM 0 H CYS A 122 -13.061 -10.295 9.147 1.00 0.00 H new ATOM 0 HA CYS A 122 -12.604 -7.664 9.663 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -10.265 -8.118 8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -10.835 -9.091 10.084 1.00 0.00 H new ATOM 0 HG CYS A 122 -9.755 -11.066 8.511 1.00 0.00 H new ATOM 1982 N LEU A 123 -12.698 -8.284 6.428 1.00 0.00 N ATOM 1983 CA LEU A 123 -12.829 -7.671 5.117 1.00 0.00 C ATOM 1984 C LEU A 123 -14.109 -6.833 5.076 1.00 0.00 C ATOM 1985 O LEU A 123 -14.062 -5.635 4.804 1.00 0.00 O ATOM 1986 CB LEU A 123 -12.755 -8.734 4.019 1.00 0.00 C ATOM 1987 CG LEU A 123 -13.089 -8.260 2.603 1.00 0.00 C ATOM 1988 CD1 LEU A 123 -11.822 -7.858 1.846 1.00 0.00 C ATOM 1989 CD2 LEU A 123 -13.897 -9.317 1.848 1.00 0.00 C ATOM 0 H LEU A 123 -12.741 -9.303 6.429 1.00 0.00 H new ATOM 0 HA LEU A 123 -11.997 -6.992 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -11.748 -9.152 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -13.435 -9.545 4.279 1.00 0.00 H new ATOM 0 HG LEU A 123 -13.714 -7.370 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -12.088 -7.525 0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -11.323 -7.047 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -11.151 -8.715 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -14.121 -8.955 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -13.318 -10.238 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -14.828 -9.512 2.380 1.00 0.00 H new ATOM 2001 N HIS A 124 -15.222 -7.498 5.351 1.00 0.00 N ATOM 2002 CA HIS A 124 -16.512 -6.830 5.349 1.00 0.00 C ATOM 2003 C HIS A 124 -16.405 -5.503 6.104 1.00 0.00 C ATOM 2004 O HIS A 124 -16.937 -4.487 5.660 1.00 0.00 O ATOM 2005 CB HIS A 124 -17.600 -7.746 5.913 1.00 0.00 C ATOM 2006 CG HIS A 124 -18.241 -8.644 4.882 1.00 0.00 C ATOM 2007 ND1 HIS A 124 -18.995 -8.157 3.828 1.00 0.00 N ATOM 2008 CD2 HIS A 124 -18.233 -10.002 4.755 1.00 0.00 C ATOM 2009 CE1 HIS A 124 -19.417 -9.185 3.106 1.00 0.00 C ATOM 2010 NE2 HIS A 124 -18.944 -10.327 3.682 1.00 0.00 N ATOM 0 H HIS A 124 -15.257 -8.492 5.577 1.00 0.00 H new ATOM 0 HA HIS A 124 -16.805 -6.603 4.324 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -17.168 -8.364 6.700 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.373 -7.133 6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -17.733 -10.695 5.415 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -20.028 -9.128 2.217 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -19.109 -11.275 3.344 1.00 0.00 H new ATOM 2018 N MET A 125 -15.712 -5.556 7.232 1.00 0.00 N ATOM 2019 CA MET A 125 -15.527 -4.371 8.053 1.00 0.00 C ATOM 2020 C MET A 125 -14.602 -3.366 7.364 1.00 0.00 C ATOM 2021 O MET A 125 -14.847 -2.161 7.407 1.00 0.00 O ATOM 2022 CB MET A 125 -14.930 -4.773 9.403 1.00 0.00 C ATOM 2023 CG MET A 125 -15.654 -4.071 10.553 1.00 0.00 C ATOM 2024 SD MET A 125 -14.471 -3.250 11.608 1.00 0.00 S ATOM 2025 CE MET A 125 -13.666 -4.669 12.334 1.00 0.00 C ATOM 0 H MET A 125 -15.272 -6.401 7.597 1.00 0.00 H new ATOM 0 HA MET A 125 -16.498 -3.899 8.202 1.00 0.00 H new ATOM 0 HB2 MET A 125 -15.001 -5.853 9.529 1.00 0.00 H new ATOM 0 HB3 MET A 125 -13.870 -4.519 9.426 1.00 0.00 H new ATOM 0 HG2 MET A 125 -16.365 -3.346 10.157 1.00 0.00 H new ATOM 0 HG3 MET A 125 -16.226 -4.797 11.130 1.00 0.00 H new ATOM 0 HE1 MET A 125 -13.317 -4.416 13.335 1.00 0.00 H new ATOM 0 HE2 MET A 125 -14.373 -5.497 12.394 1.00 0.00 H new ATOM 0 HE3 MET A 125 -12.817 -4.961 11.716 1.00 0.00 H new ATOM 2035 N PHE A 126 -13.558 -3.898 6.745 1.00 0.00 N ATOM 2036 CA PHE A 126 -12.595 -3.062 6.049 1.00 0.00 C ATOM 2037 C PHE A 126 -13.295 -2.124 5.063 1.00 0.00 C ATOM 2038 O PHE A 126 -12.762 -1.071 4.717 1.00 0.00 O ATOM 2039 CB PHE A 126 -11.668 -4.000 5.272 1.00 0.00 C ATOM 2040 CG PHE A 126 -10.428 -3.313 4.698 1.00 0.00 C ATOM 2041 CD1 PHE A 126 -9.361 -3.053 5.500 1.00 0.00 C ATOM 2042 CD2 PHE A 126 -10.392 -2.962 3.384 1.00 0.00 C ATOM 2043 CE1 PHE A 126 -8.210 -2.416 4.967 1.00 0.00 C ATOM 2044 CE2 PHE A 126 -9.241 -2.325 2.850 1.00 0.00 C ATOM 2045 CZ PHE A 126 -8.174 -2.065 3.653 1.00 0.00 C ATOM 0 H PHE A 126 -13.358 -4.898 6.711 1.00 0.00 H new ATOM 0 HA PHE A 126 -12.047 -2.450 6.765 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -11.351 -4.809 5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -12.229 -4.455 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -9.389 -3.331 6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -11.239 -3.168 2.747 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -7.363 -2.210 5.604 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -9.212 -2.047 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 126 -7.298 -1.580 3.247 1.00 0.00 H new ATOM 2055 N LEU A 127 -14.479 -2.541 4.638 1.00 0.00 N ATOM 2056 CA LEU A 127 -15.257 -1.752 3.698 1.00 0.00 C ATOM 2057 C LEU A 127 -16.619 -1.429 4.316 1.00 0.00 C ATOM 2058 O LEU A 127 -17.091 -2.146 5.196 1.00 0.00 O ATOM 2059 CB LEU A 127 -15.348 -2.463 2.347 1.00 0.00 C ATOM 2060 CG LEU A 127 -14.055 -3.104 1.838 1.00 0.00 C ATOM 2061 CD1 LEU A 127 -14.355 -4.267 0.891 1.00 0.00 C ATOM 2062 CD2 LEU A 127 -13.143 -2.059 1.191 1.00 0.00 C ATOM 0 H LEU A 127 -14.918 -3.415 4.927 1.00 0.00 H new ATOM 0 HA LEU A 127 -14.763 -0.801 3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.111 -3.238 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -15.691 -1.744 1.603 1.00 0.00 H new ATOM 0 HG LEU A 127 -13.518 -3.515 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -13.419 -4.704 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -14.936 -5.024 1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -14.924 -3.902 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -12.231 -2.541 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -13.659 -1.597 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -12.888 -1.294 1.925 1.00 0.00 H new ATOM 2074 N GLN A 128 -17.211 -0.348 3.830 1.00 0.00 N ATOM 2075 CA GLN A 128 -18.510 0.079 4.323 1.00 0.00 C ATOM 2076 C GLN A 128 -18.361 0.767 5.682 1.00 0.00 C ATOM 2077 O GLN A 128 -18.803 1.901 5.860 1.00 0.00 O ATOM 2078 CB GLN A 128 -19.479 -1.101 4.409 1.00 0.00 C ATOM 2079 CG GLN A 128 -19.428 -1.946 3.134 1.00 0.00 C ATOM 2080 CD GLN A 128 -20.253 -3.225 3.291 1.00 0.00 C ATOM 2081 OE1 GLN A 128 -20.227 -3.890 4.314 1.00 0.00 O ATOM 2082 NE2 GLN A 128 -20.983 -3.532 2.223 1.00 0.00 N ATOM 0 H GLN A 128 -16.816 0.245 3.100 1.00 0.00 H new ATOM 0 HA GLN A 128 -18.927 0.797 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -19.228 -1.720 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -20.493 -0.733 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -19.807 -1.365 2.293 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -18.394 -2.202 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -20.959 -2.932 1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -21.567 -4.368 2.228 1.00 0.00 H new ATOM 2091 N GLU A 129 -17.738 0.051 6.607 1.00 0.00 N ATOM 2092 CA GLU A 129 -17.526 0.577 7.944 1.00 0.00 C ATOM 2093 C GLU A 129 -16.435 1.650 7.925 1.00 0.00 C ATOM 2094 O GLU A 129 -15.252 1.336 7.800 1.00 0.00 O ATOM 2095 CB GLU A 129 -17.176 -0.543 8.925 1.00 0.00 C ATOM 2096 CG GLU A 129 -18.424 -1.039 9.658 1.00 0.00 C ATOM 2097 CD GLU A 129 -18.564 -0.363 11.023 1.00 0.00 C ATOM 2098 OE1 GLU A 129 -17.795 -0.749 11.929 1.00 0.00 O ATOM 2099 OE2 GLU A 129 -19.438 0.524 11.130 1.00 0.00 O ATOM 0 H GLU A 129 -17.373 -0.890 6.456 1.00 0.00 H new ATOM 0 HA GLU A 129 -18.454 1.036 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -16.712 -1.370 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.444 -0.183 9.648 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.309 -0.835 9.055 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.368 -2.120 9.788 1.00 0.00 H new ATOM 2106 N GLU A 130 -16.871 2.895 8.052 1.00 0.00 N ATOM 2107 CA GLU A 130 -15.946 4.016 8.051 1.00 0.00 C ATOM 2108 C GLU A 130 -14.769 3.733 8.986 1.00 0.00 C ATOM 2109 O GLU A 130 -13.618 3.707 8.551 1.00 0.00 O ATOM 2110 CB GLU A 130 -16.657 5.313 8.441 1.00 0.00 C ATOM 2111 CG GLU A 130 -17.502 5.118 9.702 1.00 0.00 C ATOM 2112 CD GLU A 130 -18.803 5.919 9.620 1.00 0.00 C ATOM 2113 OE1 GLU A 130 -18.702 7.144 9.395 1.00 0.00 O ATOM 2114 OE2 GLU A 130 -19.869 5.287 9.783 1.00 0.00 O ATOM 0 H GLU A 130 -17.853 3.152 8.156 1.00 0.00 H new ATOM 0 HA GLU A 130 -15.559 4.142 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -15.921 6.099 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -17.293 5.644 7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -17.730 4.060 9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -16.933 5.431 10.577 1.00 0.00 H new ATOM 2121 N ALA A 131 -15.097 3.528 10.253 1.00 0.00 N ATOM 2122 CA ALA A 131 -14.080 3.248 11.253 1.00 0.00 C ATOM 2123 C ALA A 131 -14.125 1.762 11.617 1.00 0.00 C ATOM 2124 O ALA A 131 -15.187 1.228 11.933 1.00 0.00 O ATOM 2125 CB ALA A 131 -14.296 4.152 12.468 1.00 0.00 C ATOM 0 H ALA A 131 -16.052 3.550 10.610 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.086 3.462 10.860 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.533 3.942 13.218 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.226 5.196 12.162 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -15.283 3.963 12.891 1.00 0.00 H new ATOM 2131 N ILE A 132 -12.958 1.137 11.562 1.00 0.00 N ATOM 2132 CA ILE A 132 -12.850 -0.276 11.882 1.00 0.00 C ATOM 2133 C ILE A 132 -12.780 -0.447 13.401 1.00 0.00 C ATOM 2134 O ILE A 132 -11.829 0.006 14.036 1.00 0.00 O ATOM 2135 CB ILE A 132 -11.672 -0.906 11.137 1.00 0.00 C ATOM 2136 CG1 ILE A 132 -12.006 -1.116 9.659 1.00 0.00 C ATOM 2137 CG2 ILE A 132 -11.225 -2.204 11.813 1.00 0.00 C ATOM 2138 CD1 ILE A 132 -10.760 -1.513 8.865 1.00 0.00 C ATOM 0 H ILE A 132 -12.079 1.583 11.301 1.00 0.00 H new ATOM 0 HA ILE A 132 -13.736 -0.812 11.541 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.831 -0.214 11.182 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -12.766 -1.891 9.561 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -12.429 -0.201 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -10.386 -2.631 11.263 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.918 -1.994 12.837 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -12.052 -2.914 11.821 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -11.026 -1.656 7.818 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -10.011 -0.725 8.945 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.354 -2.441 9.266 1.00 0.00 H new ATOM 2150 N ASP A 133 -13.798 -1.101 13.938 1.00 0.00 N ATOM 2151 CA ASP A 133 -13.864 -1.337 15.371 1.00 0.00 C ATOM 2152 C ASP A 133 -12.892 -2.459 15.743 1.00 0.00 C ATOM 2153 O ASP A 133 -13.307 -3.595 15.967 1.00 0.00 O ATOM 2154 CB ASP A 133 -15.269 -1.769 15.794 1.00 0.00 C ATOM 2155 CG ASP A 133 -15.477 -1.902 17.304 1.00 0.00 C ATOM 2156 OD1 ASP A 133 -15.403 -0.855 17.982 1.00 0.00 O ATOM 2157 OD2 ASP A 133 -15.706 -3.049 17.747 1.00 0.00 O ATOM 0 H ASP A 133 -14.585 -1.475 13.407 1.00 0.00 H new ATOM 0 HA ASP A 133 -13.605 -0.408 15.879 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -15.987 -1.047 15.406 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -15.495 -2.727 15.325 1.00 0.00 H new ATOM 2162 N ARG A 134 -11.618 -2.101 15.798 1.00 0.00 N ATOM 2163 CA ARG A 134 -10.584 -3.063 16.140 1.00 0.00 C ATOM 2164 C ARG A 134 -11.068 -3.987 17.260 1.00 0.00 C ATOM 2165 O ARG A 134 -11.913 -3.601 18.066 1.00 0.00 O ATOM 2166 CB ARG A 134 -9.302 -2.359 16.587 1.00 0.00 C ATOM 2167 CG ARG A 134 -8.654 -1.608 15.422 1.00 0.00 C ATOM 2168 CD ARG A 134 -8.558 -0.110 15.720 1.00 0.00 C ATOM 2169 NE ARG A 134 -7.904 0.590 14.592 1.00 0.00 N ATOM 2170 CZ ARG A 134 -7.774 1.921 14.507 1.00 0.00 C ATOM 2171 NH1 ARG A 134 -8.253 2.704 15.484 1.00 0.00 N ATOM 2172 NH2 ARG A 134 -7.166 2.468 13.446 1.00 0.00 N ATOM 0 H ARG A 134 -11.278 -1.158 15.611 1.00 0.00 H new ATOM 0 HA ARG A 134 -10.369 -3.650 15.247 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -9.528 -1.661 17.393 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -8.601 -3.092 16.987 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.658 -2.010 15.235 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -9.237 -1.765 14.514 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -9.554 0.301 15.885 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.991 0.051 16.637 1.00 0.00 H new ATOM 0 HE ARG A 134 -7.529 0.024 13.831 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.716 2.287 16.291 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -8.154 3.717 15.420 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -6.802 1.871 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -7.067 3.481 13.381 1.00 0.00 H new