USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 ASN : amide:sc= -0.0252 K(o=-0.025,f=-2.5!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 10 ASN : amide:sc= -1.92! C(o=-1.9!,f=-7.1!) USER MOD Set 2.2: A 12 THR OG1 : rot -85:sc= 0.0544 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.241 USER MOD Single : A 19 ASN : amide:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00527 K(o=-0.0053,f=-3.3!) USER MOD Single : A 37 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.059) USER MOD Single : A 41 HIS : no HD1:sc=-0.00253 X(o=-0.0025,f=-0.27) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= 1.22 (180deg=1.15) USER MOD Single : A 45 LYS NZ :NH3+ -138:sc= 1.29 (180deg=1.02) USER MOD Single : A 46 THR OG1 : rot -130:sc= -0.657 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 20:sc= 1.19 USER MOD Single : A 52 THR OG1 : rot -7:sc= 1.09 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 61 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.2) USER MOD Single : A 62 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 71 ASN : amide:sc= 0.0818 K(o=0.082,f=-5.6!) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 82 ASN : amide:sc= -0.0265 K(o=-0.027,f=-4!) USER MOD Single : A 83 ASN : amide:sc= 0.0139 X(o=0.014,f=-0.033) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.002 F(o=-1.3,f=-0.002) USER MOD Single : A 91 LYS NZ :NH3+ -169:sc= -0.0149 (180deg=-0.194) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 -0.385 12.889 -4.374 1.00 0.00 N ATOM 21 CA ILE A 2 -0.661 11.501 -4.043 1.00 0.00 C ATOM 22 C ILE A 2 -2.111 11.157 -4.395 1.00 0.00 C ATOM 23 O ILE A 2 -3.051 11.796 -3.919 1.00 0.00 O ATOM 24 CB ILE A 2 -0.385 11.214 -2.548 1.00 0.00 C ATOM 25 CG1 ILE A 2 -1.220 12.138 -1.649 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.099 11.389 -2.254 1.00 0.00 C ATOM 27 CD1 ILE A 2 -1.054 11.871 -0.169 1.00 0.00 C ATOM 0 HA ILE A 2 0.007 10.872 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.673 10.185 -2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.945 13.173 -1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.272 12.029 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.288 11.186 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.675 10.695 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.398 12.411 -2.485 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.676 12.564 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.357 10.848 0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.010 12.009 0.111 1.00 0.00 H new ATOM 39 N ARG A 3 -2.284 10.177 -5.265 1.00 0.00 N ATOM 40 CA ARG A 3 -3.573 9.812 -5.758 1.00 0.00 C ATOM 41 C ARG A 3 -4.036 8.497 -5.165 1.00 0.00 C ATOM 42 O ARG A 3 -3.235 7.665 -4.743 1.00 0.00 O ATOM 43 CB ARG A 3 -3.483 9.650 -7.253 1.00 0.00 C ATOM 44 CG ARG A 3 -3.055 10.901 -7.997 1.00 0.00 C ATOM 45 CD ARG A 3 -2.616 10.582 -9.419 1.00 0.00 C ATOM 46 NE ARG A 3 -3.639 9.859 -10.178 1.00 0.00 N ATOM 47 CZ ARG A 3 -4.443 10.432 -11.076 1.00 0.00 C ATOM 48 NH1 ARG A 3 -4.391 11.746 -11.280 1.00 0.00 N ATOM 49 NH2 ARG A 3 -5.304 9.694 -11.769 1.00 0.00 N ATOM 0 H ARG A 3 -1.520 9.617 -5.643 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.284 10.591 -5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.777 8.850 -7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.455 9.333 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.881 11.612 -8.021 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.236 11.382 -7.462 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.373 11.510 -9.937 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.704 9.986 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.743 8.858 -10.010 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.735 12.319 -10.749 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.007 12.180 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.352 8.687 -11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.917 10.135 -12.455 1.00 0.00 H new ATOM 63 N PHE A 4 -5.331 8.315 -5.179 1.00 0.00 N ATOM 64 CA PHE A 4 -5.946 7.074 -4.776 1.00 0.00 C ATOM 65 C PHE A 4 -6.970 6.674 -5.835 1.00 0.00 C ATOM 66 O PHE A 4 -7.993 7.333 -6.026 1.00 0.00 O ATOM 67 CB PHE A 4 -6.567 7.224 -3.380 1.00 0.00 C ATOM 68 CG PHE A 4 -7.810 8.072 -3.306 1.00 0.00 C ATOM 69 CD1 PHE A 4 -7.728 9.456 -3.325 1.00 0.00 C ATOM 70 CD2 PHE A 4 -9.061 7.481 -3.211 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.869 10.232 -3.250 1.00 0.00 C ATOM 72 CE2 PHE A 4 -10.203 8.251 -3.138 1.00 0.00 C ATOM 73 CZ PHE A 4 -10.108 9.628 -3.159 1.00 0.00 C ATOM 0 H PHE A 4 -5.996 9.030 -5.473 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.204 6.279 -4.703 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.804 6.231 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.818 7.651 -2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.762 9.933 -3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.142 6.404 -3.194 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.792 11.309 -3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -11.171 7.777 -3.064 1.00 0.00 H new ATOM 0 HZ PHE A 4 -11.001 10.232 -3.104 1.00 0.00 H new ATOM 83 N GLU A 5 -6.665 5.619 -6.559 1.00 0.00 N ATOM 84 CA GLU A 5 -7.473 5.224 -7.693 1.00 0.00 C ATOM 85 C GLU A 5 -8.066 3.857 -7.451 1.00 0.00 C ATOM 86 O GLU A 5 -7.532 2.826 -7.861 1.00 0.00 O ATOM 87 CB GLU A 5 -6.635 5.269 -8.970 1.00 0.00 C ATOM 88 CG GLU A 5 -6.107 6.665 -9.270 1.00 0.00 C ATOM 89 CD GLU A 5 -5.230 6.726 -10.499 1.00 0.00 C ATOM 90 OE1 GLU A 5 -5.769 6.879 -11.613 1.00 0.00 O ATOM 91 OE2 GLU A 5 -3.993 6.650 -10.357 1.00 0.00 O ATOM 0 H GLU A 5 -5.861 5.017 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.300 5.923 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.796 4.579 -8.875 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.238 4.924 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.950 7.343 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.540 7.023 -8.411 1.00 0.00 H new ATOM 98 N ILE A 6 -9.182 3.881 -6.764 1.00 0.00 N ATOM 99 CA ILE A 6 -9.833 2.688 -6.290 1.00 0.00 C ATOM 100 C ILE A 6 -11.002 2.305 -7.194 1.00 0.00 C ATOM 101 O ILE A 6 -11.722 3.161 -7.708 1.00 0.00 O ATOM 102 CB ILE A 6 -10.390 2.947 -4.881 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.266 3.362 -3.933 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.137 1.724 -4.340 1.00 0.00 C ATOM 105 CD1 ILE A 6 -9.763 3.896 -2.611 1.00 0.00 C ATOM 0 H ILE A 6 -9.669 4.742 -6.516 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.101 1.880 -6.285 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.108 3.765 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.620 2.504 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.655 4.124 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.517 1.942 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.970 1.484 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.456 0.874 -4.291 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.913 4.171 -1.987 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.386 4.774 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.350 3.129 -2.106 1.00 0.00 H new ATOM 117 N HIS A 7 -11.168 1.020 -7.373 1.00 0.00 N ATOM 118 CA HIS A 7 -12.370 0.453 -7.955 1.00 0.00 C ATOM 119 C HIS A 7 -12.982 -0.460 -6.939 1.00 0.00 C ATOM 120 O HIS A 7 -12.610 -1.625 -6.852 1.00 0.00 O ATOM 121 CB HIS A 7 -12.075 -0.375 -9.192 1.00 0.00 C ATOM 122 CG HIS A 7 -11.985 0.417 -10.457 1.00 0.00 C ATOM 123 ND1 HIS A 7 -10.820 0.578 -11.173 1.00 0.00 N ATOM 124 CD2 HIS A 7 -12.940 1.085 -11.142 1.00 0.00 C ATOM 125 CE1 HIS A 7 -11.062 1.313 -12.242 1.00 0.00 C ATOM 126 NE2 HIS A 7 -12.341 1.632 -12.246 1.00 0.00 N ATOM 0 H HIS A 7 -10.467 0.324 -7.118 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.029 1.274 -8.239 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.135 -0.907 -9.043 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.854 -1.129 -9.304 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.982 1.171 -10.870 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.336 1.604 -12.987 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.809 2.195 -12.956 1.00 0.00 H new ATOM 135 N GLY A 8 -13.887 0.032 -6.142 1.00 0.00 N ATOM 136 CA GLY A 8 -14.360 -0.816 -5.107 1.00 0.00 C ATOM 137 C GLY A 8 -15.795 -1.259 -5.303 1.00 0.00 C ATOM 138 O GLY A 8 -16.720 -0.462 -5.157 1.00 0.00 O ATOM 0 H GLY A 8 -14.290 0.968 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.720 -1.697 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.275 -0.295 -4.153 1.00 0.00 H new ATOM 142 N ASP A 9 -15.980 -2.524 -5.652 1.00 0.00 N ATOM 143 CA ASP A 9 -17.312 -3.103 -5.735 1.00 0.00 C ATOM 144 C ASP A 9 -17.619 -3.828 -4.437 1.00 0.00 C ATOM 145 O ASP A 9 -17.418 -5.043 -4.326 1.00 0.00 O ATOM 146 CB ASP A 9 -17.448 -4.079 -6.910 1.00 0.00 C ATOM 147 CG ASP A 9 -17.278 -3.422 -8.264 1.00 0.00 C ATOM 148 OD1 ASP A 9 -16.307 -3.757 -8.972 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.122 -2.579 -8.638 1.00 0.00 O ATOM 0 H ASP A 9 -15.224 -3.169 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.020 -2.291 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.705 -4.870 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -18.428 -4.554 -6.866 1.00 0.00 H new ATOM 154 N ASN A 10 -18.061 -3.064 -3.450 1.00 0.00 N ATOM 155 CA ASN A 10 -18.430 -3.600 -2.147 1.00 0.00 C ATOM 156 C ASN A 10 -19.824 -3.116 -1.762 1.00 0.00 C ATOM 157 O ASN A 10 -20.595 -2.695 -2.623 1.00 0.00 O ATOM 158 CB ASN A 10 -17.414 -3.180 -1.072 1.00 0.00 C ATOM 159 CG ASN A 10 -17.304 -1.673 -0.899 1.00 0.00 C ATOM 160 OD1 ASN A 10 -17.351 -0.916 -1.865 1.00 0.00 O ATOM 161 ND2 ASN A 10 -17.177 -1.227 0.340 1.00 0.00 N ATOM 0 H ASN A 10 -18.174 -2.053 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 10 -18.430 -4.688 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.698 -3.628 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.434 -3.581 -1.333 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -17.115 -0.224 0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.141 -1.886 1.118 1.00 0.00 H new ATOM 168 N LEU A 11 -20.158 -3.185 -0.481 1.00 0.00 N ATOM 169 CA LEU A 11 -21.448 -2.700 -0.012 1.00 0.00 C ATOM 170 C LEU A 11 -21.401 -1.188 0.154 1.00 0.00 C ATOM 171 O LEU A 11 -22.220 -0.459 -0.407 1.00 0.00 O ATOM 172 CB LEU A 11 -21.845 -3.350 1.322 1.00 0.00 C ATOM 173 CG LEU A 11 -22.056 -4.869 1.299 1.00 0.00 C ATOM 174 CD1 LEU A 11 -20.728 -5.607 1.256 1.00 0.00 C ATOM 175 CD2 LEU A 11 -22.868 -5.308 2.506 1.00 0.00 C ATOM 0 H LEU A 11 -19.558 -3.570 0.248 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.197 -2.970 -0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -21.073 -3.122 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.765 -2.882 1.671 1.00 0.00 H new ATOM 0 HG LEU A 11 -22.609 -5.119 0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -20.909 -6.682 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -20.180 -5.318 0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.141 -5.351 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -23.010 -6.388 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.338 -5.037 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -23.840 -4.814 2.490 1.00 0.00 H new ATOM 187 N THR A 12 -20.421 -0.726 0.911 1.00 0.00 N ATOM 188 CA THR A 12 -20.274 0.688 1.198 1.00 0.00 C ATOM 189 C THR A 12 -19.415 1.387 0.145 1.00 0.00 C ATOM 190 O THR A 12 -18.234 1.657 0.361 1.00 0.00 O ATOM 191 CB THR A 12 -19.665 0.889 2.599 1.00 0.00 C ATOM 192 OG1 THR A 12 -18.671 -0.116 2.849 1.00 0.00 O ATOM 193 CG2 THR A 12 -20.739 0.821 3.674 1.00 0.00 C ATOM 0 H THR A 12 -19.710 -1.317 1.341 1.00 0.00 H new ATOM 0 HA THR A 12 -21.267 1.137 1.172 1.00 0.00 H new ATOM 0 HB THR A 12 -19.204 1.876 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 12 -19.103 -0.925 3.194 1.00 0.00 H new ATOM 0 HG21 THR A 12 -20.283 0.966 4.653 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.479 1.602 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.226 -0.154 3.641 1.00 0.00 H new ATOM 201 N ILE A 13 -20.010 1.675 -1.002 1.00 0.00 N ATOM 202 CA ILE A 13 -19.303 2.366 -2.071 1.00 0.00 C ATOM 203 C ILE A 13 -19.631 3.852 -2.028 1.00 0.00 C ATOM 204 O ILE A 13 -20.490 4.330 -2.772 1.00 0.00 O ATOM 205 CB ILE A 13 -19.683 1.821 -3.464 1.00 0.00 C ATOM 206 CG1 ILE A 13 -19.665 0.294 -3.472 1.00 0.00 C ATOM 207 CG2 ILE A 13 -18.730 2.366 -4.520 1.00 0.00 C ATOM 208 CD1 ILE A 13 -20.111 -0.311 -4.785 1.00 0.00 C ATOM 0 H ILE A 13 -20.979 1.442 -1.217 1.00 0.00 H new ATOM 0 HA ILE A 13 -18.237 2.199 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 13 -20.695 2.152 -3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -18.655 -0.050 -3.248 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -20.311 -0.073 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -19.008 1.974 -5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -18.788 3.454 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -17.711 2.060 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -20.072 -1.398 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -21.132 0.003 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -19.450 0.026 -5.584 1.00 0.00 H new ATOM 220 N THR A 14 -18.964 4.582 -1.153 1.00 0.00 N ATOM 221 CA THR A 14 -19.269 5.988 -0.980 1.00 0.00 C ATOM 222 C THR A 14 -18.032 6.773 -0.551 1.00 0.00 C ATOM 223 O THR A 14 -16.929 6.218 -0.486 1.00 0.00 O ATOM 224 CB THR A 14 -20.425 6.181 0.037 1.00 0.00 C ATOM 225 OG1 THR A 14 -20.753 7.566 0.196 1.00 0.00 O ATOM 226 CG2 THR A 14 -20.075 5.578 1.390 1.00 0.00 C ATOM 0 H THR A 14 -18.215 4.228 -0.557 1.00 0.00 H new ATOM 0 HA THR A 14 -19.594 6.379 -1.944 1.00 0.00 H new ATOM 0 HB THR A 14 -21.294 5.661 -0.365 1.00 0.00 H new ATOM 0 HG1 THR A 14 -21.485 7.657 0.841 1.00 0.00 H new ATOM 0 HG21 THR A 14 -20.904 5.729 2.081 1.00 0.00 H new ATOM 0 HG22 THR A 14 -19.888 4.510 1.275 1.00 0.00 H new ATOM 0 HG23 THR A 14 -19.182 6.062 1.784 1.00 0.00 H new ATOM 234 N ASP A 15 -18.221 8.046 -0.243 1.00 0.00 N ATOM 235 CA ASP A 15 -17.114 8.930 0.111 1.00 0.00 C ATOM 236 C ASP A 15 -16.455 8.481 1.407 1.00 0.00 C ATOM 237 O ASP A 15 -15.292 8.777 1.644 1.00 0.00 O ATOM 238 CB ASP A 15 -17.582 10.385 0.240 1.00 0.00 C ATOM 239 CG ASP A 15 -18.530 10.608 1.401 1.00 0.00 C ATOM 240 OD1 ASP A 15 -19.756 10.480 1.202 1.00 0.00 O ATOM 241 OD2 ASP A 15 -18.057 10.932 2.514 1.00 0.00 O ATOM 0 H ASP A 15 -19.136 8.496 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.382 8.874 -0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.712 11.030 0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -18.074 10.685 -0.685 1.00 0.00 H new ATOM 246 N ALA A 16 -17.213 7.754 2.223 1.00 0.00 N ATOM 247 CA ALA A 16 -16.727 7.216 3.494 1.00 0.00 C ATOM 248 C ALA A 16 -15.347 6.594 3.362 1.00 0.00 C ATOM 249 O ALA A 16 -14.376 7.064 3.947 1.00 0.00 O ATOM 250 CB ALA A 16 -17.688 6.156 3.991 1.00 0.00 C ATOM 0 H ALA A 16 -18.185 7.520 2.022 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.662 8.047 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -17.328 5.754 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -18.674 6.598 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.755 5.353 3.257 1.00 0.00 H new ATOM 256 N ILE A 17 -15.282 5.536 2.574 1.00 0.00 N ATOM 257 CA ILE A 17 -14.060 4.773 2.391 1.00 0.00 C ATOM 258 C ILE A 17 -13.040 5.569 1.615 1.00 0.00 C ATOM 259 O ILE A 17 -11.858 5.545 1.920 1.00 0.00 O ATOM 260 CB ILE A 17 -14.341 3.470 1.631 1.00 0.00 C ATOM 261 CG1 ILE A 17 -15.110 2.489 2.516 1.00 0.00 C ATOM 262 CG2 ILE A 17 -13.051 2.825 1.134 1.00 0.00 C ATOM 263 CD1 ILE A 17 -16.590 2.773 2.628 1.00 0.00 C ATOM 0 H ILE A 17 -16.076 5.181 2.042 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.669 4.544 3.382 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.951 3.720 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.975 1.482 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -14.674 2.502 3.515 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.287 1.904 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.536 3.512 0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.407 2.597 1.984 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.055 2.029 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -16.739 3.766 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.045 2.730 1.638 1.00 0.00 H new ATOM 275 N ARG A 18 -13.512 6.261 0.594 1.00 0.00 N ATOM 276 CA ARG A 18 -12.622 7.027 -0.236 1.00 0.00 C ATOM 277 C ARG A 18 -11.869 8.019 0.645 1.00 0.00 C ATOM 278 O ARG A 18 -10.641 8.131 0.595 1.00 0.00 O ATOM 279 CB ARG A 18 -13.390 7.750 -1.345 1.00 0.00 C ATOM 280 CG ARG A 18 -14.118 6.808 -2.290 1.00 0.00 C ATOM 281 CD ARG A 18 -14.795 7.559 -3.424 1.00 0.00 C ATOM 282 NE ARG A 18 -13.828 8.172 -4.335 1.00 0.00 N ATOM 283 CZ ARG A 18 -14.151 9.054 -5.281 1.00 0.00 C ATOM 284 NH1 ARG A 18 -15.406 9.472 -5.405 1.00 0.00 N ATOM 285 NH2 ARG A 18 -13.216 9.527 -6.096 1.00 0.00 N ATOM 0 H ARG A 18 -14.496 6.304 0.328 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.912 6.359 -0.723 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.113 8.429 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.694 8.362 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.411 6.088 -2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.864 6.240 -1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.433 6.874 -3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.443 8.332 -3.010 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.847 7.908 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.126 9.118 -4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.649 10.147 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.250 9.216 -5.999 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.464 10.202 -6.820 1.00 0.00 H new ATOM 299 N ASN A 19 -12.636 8.690 1.496 1.00 0.00 N ATOM 300 CA ASN A 19 -12.087 9.565 2.512 1.00 0.00 C ATOM 301 C ASN A 19 -11.203 8.761 3.456 1.00 0.00 C ATOM 302 O ASN A 19 -10.076 9.142 3.705 1.00 0.00 O ATOM 303 CB ASN A 19 -13.219 10.248 3.288 1.00 0.00 C ATOM 304 CG ASN A 19 -12.715 11.263 4.293 1.00 0.00 C ATOM 305 OD1 ASN A 19 -12.453 12.414 3.947 1.00 0.00 O ATOM 306 ND2 ASN A 19 -12.608 10.857 5.547 1.00 0.00 N ATOM 0 H ASN A 19 -13.655 8.640 1.497 1.00 0.00 H new ATOM 0 HA ASN A 19 -11.483 10.337 2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.889 10.742 2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.806 9.490 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -12.298 11.508 6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -12.835 9.893 5.792 1.00 0.00 H new ATOM 313 N TYR A 20 -11.724 7.630 3.938 1.00 0.00 N ATOM 314 CA TYR A 20 -10.992 6.708 4.823 1.00 0.00 C ATOM 315 C TYR A 20 -9.592 6.406 4.274 1.00 0.00 C ATOM 316 O TYR A 20 -8.606 6.348 5.020 1.00 0.00 O ATOM 317 CB TYR A 20 -11.774 5.386 4.945 1.00 0.00 C ATOM 318 CG TYR A 20 -11.415 4.524 6.139 1.00 0.00 C ATOM 319 CD1 TYR A 20 -10.143 3.985 6.289 1.00 0.00 C ATOM 320 CD2 TYR A 20 -12.368 4.228 7.105 1.00 0.00 C ATOM 321 CE1 TYR A 20 -9.832 3.176 7.367 1.00 0.00 C ATOM 322 CE2 TYR A 20 -12.064 3.425 8.187 1.00 0.00 C ATOM 323 CZ TYR A 20 -10.797 2.901 8.313 1.00 0.00 C ATOM 324 OH TYR A 20 -10.497 2.092 9.386 1.00 0.00 O ATOM 0 H TYR A 20 -12.673 7.322 3.726 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.890 7.184 5.798 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.838 5.617 4.992 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -11.614 4.804 4.037 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -9.384 4.201 5.551 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.365 4.633 7.008 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.839 2.762 7.467 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.817 3.209 8.931 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.287 2.001 9.958 1.00 0.00 H new ATOM 334 N ILE A 21 -9.513 6.260 2.958 1.00 0.00 N ATOM 335 CA ILE A 21 -8.303 5.837 2.308 1.00 0.00 C ATOM 336 C ILE A 21 -7.483 7.058 2.087 1.00 0.00 C ATOM 337 O ILE A 21 -6.252 7.023 2.077 1.00 0.00 O ATOM 338 CB ILE A 21 -8.603 5.195 0.947 1.00 0.00 C ATOM 339 CG1 ILE A 21 -9.474 3.946 1.112 1.00 0.00 C ATOM 340 CG2 ILE A 21 -7.315 4.852 0.209 1.00 0.00 C ATOM 341 CD1 ILE A 21 -8.865 2.883 2.003 1.00 0.00 C ATOM 0 H ILE A 21 -10.291 6.434 2.321 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.789 5.100 2.925 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.155 5.922 0.351 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.439 4.241 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.664 3.516 0.129 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.556 4.398 -0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.736 5.761 0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.730 4.151 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.542 2.032 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.913 2.558 1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.700 3.294 2.999 1.00 0.00 H new ATOM 353 N GLU A 22 -8.196 8.157 1.941 1.00 0.00 N ATOM 354 CA GLU A 22 -7.553 9.410 1.729 1.00 0.00 C ATOM 355 C GLU A 22 -6.799 9.787 2.995 1.00 0.00 C ATOM 356 O GLU A 22 -5.707 10.353 2.955 1.00 0.00 O ATOM 357 CB GLU A 22 -8.553 10.503 1.339 1.00 0.00 C ATOM 358 CG GLU A 22 -7.901 11.841 1.026 1.00 0.00 C ATOM 359 CD GLU A 22 -8.912 12.931 0.750 1.00 0.00 C ATOM 360 OE1 GLU A 22 -9.512 13.449 1.715 1.00 0.00 O ATOM 361 OE2 GLU A 22 -9.112 13.283 -0.428 1.00 0.00 O ATOM 0 H GLU A 22 -9.215 8.194 1.967 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.856 9.317 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.119 10.172 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.267 10.637 2.152 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.271 12.139 1.864 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.248 11.729 0.161 1.00 0.00 H new ATOM 368 N GLU A 23 -7.399 9.414 4.119 1.00 0.00 N ATOM 369 CA GLU A 23 -6.813 9.623 5.429 1.00 0.00 C ATOM 370 C GLU A 23 -5.637 8.685 5.612 1.00 0.00 C ATOM 371 O GLU A 23 -4.567 9.101 6.035 1.00 0.00 O ATOM 372 CB GLU A 23 -7.843 9.353 6.526 1.00 0.00 C ATOM 373 CG GLU A 23 -9.217 9.918 6.226 1.00 0.00 C ATOM 374 CD GLU A 23 -10.226 9.621 7.319 1.00 0.00 C ATOM 375 OE1 GLU A 23 -10.622 10.561 8.039 1.00 0.00 O ATOM 376 OE2 GLU A 23 -10.626 8.447 7.473 1.00 0.00 O ATOM 0 H GLU A 23 -8.310 8.956 4.143 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.480 10.659 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.928 8.277 6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.482 9.777 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.140 10.997 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.577 9.505 5.284 1.00 0.00 H new ATOM 383 N LYS A 24 -5.855 7.410 5.296 1.00 0.00 N ATOM 384 CA LYS A 24 -4.794 6.413 5.399 1.00 0.00 C ATOM 385 C LYS A 24 -3.596 6.825 4.555 1.00 0.00 C ATOM 386 O LYS A 24 -2.558 7.202 5.083 1.00 0.00 O ATOM 387 CB LYS A 24 -5.294 5.043 4.943 1.00 0.00 C ATOM 388 CG LYS A 24 -5.031 3.933 5.951 1.00 0.00 C ATOM 389 CD LYS A 24 -5.725 4.202 7.276 1.00 0.00 C ATOM 390 CE LYS A 24 -5.315 3.194 8.336 1.00 0.00 C ATOM 391 NZ LYS A 24 -5.941 3.488 9.651 1.00 0.00 N ATOM 0 H LYS A 24 -6.750 7.046 4.969 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.492 6.348 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.365 5.102 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.814 4.786 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.378 2.983 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.958 3.837 6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.482 5.209 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.805 4.165 7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.600 2.192 8.014 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.230 3.199 8.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.636 2.778 10.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.649 4.434 9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.976 3.459 9.557 1.00 0.00 H new ATOM 405 N ILE A 25 -3.781 6.772 3.241 1.00 0.00 N ATOM 406 CA ILE A 25 -2.733 7.132 2.287 1.00 0.00 C ATOM 407 C ILE A 25 -2.196 8.527 2.583 1.00 0.00 C ATOM 408 O ILE A 25 -0.991 8.759 2.523 1.00 0.00 O ATOM 409 CB ILE A 25 -3.236 7.032 0.819 1.00 0.00 C ATOM 410 CG1 ILE A 25 -3.081 5.598 0.291 1.00 0.00 C ATOM 411 CG2 ILE A 25 -2.499 8.005 -0.095 1.00 0.00 C ATOM 412 CD1 ILE A 25 -3.822 4.552 1.095 1.00 0.00 C ATOM 0 H ILE A 25 -4.656 6.480 2.806 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.919 6.416 2.402 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.292 7.301 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.434 5.563 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.021 5.343 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.877 7.906 -1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.659 9.025 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.432 7.780 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.658 3.569 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.454 4.554 2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.888 4.778 1.091 1.00 0.00 H new ATOM 424 N GLY A 26 -3.088 9.440 2.944 1.00 0.00 N ATOM 425 CA GLY A 26 -2.662 10.761 3.341 1.00 0.00 C ATOM 426 C GLY A 26 -1.697 10.723 4.509 1.00 0.00 C ATOM 427 O GLY A 26 -0.676 11.400 4.492 1.00 0.00 O ATOM 0 H GLY A 26 -4.096 9.287 2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.187 11.257 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.534 11.356 3.611 1.00 0.00 H new ATOM 431 N LYS A 27 -1.977 9.881 5.498 1.00 0.00 N ATOM 432 CA LYS A 27 -1.197 9.877 6.715 1.00 0.00 C ATOM 433 C LYS A 27 0.075 9.094 6.497 1.00 0.00 C ATOM 434 O LYS A 27 1.091 9.334 7.151 1.00 0.00 O ATOM 435 CB LYS A 27 -2.000 9.301 7.880 1.00 0.00 C ATOM 436 CG LYS A 27 -2.642 10.362 8.766 1.00 0.00 C ATOM 437 CD LYS A 27 -3.537 11.301 7.973 1.00 0.00 C ATOM 438 CE LYS A 27 -4.058 12.438 8.835 1.00 0.00 C ATOM 439 NZ LYS A 27 -4.939 13.357 8.068 1.00 0.00 N ATOM 0 H LYS A 27 -2.735 9.199 5.475 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.941 10.905 6.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.780 8.650 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.344 8.680 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.227 9.876 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.862 10.939 9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.980 11.709 7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.377 10.742 7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.610 12.028 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.217 12.998 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.273 14.119 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.406 13.768 7.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.755 12.828 7.699 1.00 0.00 H new ATOM 453 N LEU A 28 0.008 8.165 5.562 1.00 0.00 N ATOM 454 CA LEU A 28 1.168 7.386 5.180 1.00 0.00 C ATOM 455 C LEU A 28 2.158 8.246 4.414 1.00 0.00 C ATOM 456 O LEU A 28 3.337 8.317 4.756 1.00 0.00 O ATOM 457 CB LEU A 28 0.733 6.203 4.341 1.00 0.00 C ATOM 458 CG LEU A 28 -0.378 5.411 4.992 1.00 0.00 C ATOM 459 CD1 LEU A 28 -0.942 4.376 4.032 1.00 0.00 C ATOM 460 CD2 LEU A 28 0.119 4.748 6.266 1.00 0.00 C ATOM 0 H LEU A 28 -0.843 7.931 5.051 1.00 0.00 H new ATOM 0 HA LEU A 28 1.662 7.020 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.400 6.556 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.588 5.550 4.168 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.181 6.101 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.740 3.820 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.340 4.877 3.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.151 3.688 3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.693 4.182 6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.942 4.074 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.465 5.512 6.963 1.00 0.00 H new ATOM 472 N GLU A 29 1.659 8.932 3.401 1.00 0.00 N ATOM 473 CA GLU A 29 2.502 9.758 2.559 1.00 0.00 C ATOM 474 C GLU A 29 2.930 11.029 3.279 1.00 0.00 C ATOM 475 O GLU A 29 3.949 11.620 2.938 1.00 0.00 O ATOM 476 CB GLU A 29 1.790 10.096 1.253 1.00 0.00 C ATOM 477 CG GLU A 29 1.407 8.864 0.450 1.00 0.00 C ATOM 478 CD GLU A 29 2.552 7.879 0.324 1.00 0.00 C ATOM 479 OE1 GLU A 29 3.552 8.210 -0.348 1.00 0.00 O ATOM 480 OE2 GLU A 29 2.450 6.777 0.899 1.00 0.00 O ATOM 0 H GLU A 29 0.672 8.932 3.142 1.00 0.00 H new ATOM 0 HA GLU A 29 3.401 9.187 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.892 10.673 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.436 10.732 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.559 8.372 0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.082 9.168 -0.545 1.00 0.00 H new ATOM 487 N ARG A 30 2.164 11.457 4.283 1.00 0.00 N ATOM 488 CA ARG A 30 2.582 12.598 5.090 1.00 0.00 C ATOM 489 C ARG A 30 3.701 12.229 6.058 1.00 0.00 C ATOM 490 O ARG A 30 4.204 13.085 6.786 1.00 0.00 O ATOM 491 CB ARG A 30 1.427 13.234 5.827 1.00 0.00 C ATOM 492 CG ARG A 30 0.469 14.003 4.927 1.00 0.00 C ATOM 493 CD ARG A 30 1.165 15.111 4.150 1.00 0.00 C ATOM 494 NE ARG A 30 0.273 15.719 3.164 1.00 0.00 N ATOM 495 CZ ARG A 30 0.634 16.028 1.917 1.00 0.00 C ATOM 496 NH1 ARG A 30 1.886 15.833 1.515 1.00 0.00 N ATOM 497 NH2 ARG A 30 -0.259 16.539 1.074 1.00 0.00 N ATOM 0 H ARG A 30 1.272 11.041 4.551 1.00 0.00 H new ATOM 0 HA ARG A 30 2.972 13.338 4.391 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.872 12.457 6.352 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.821 13.911 6.585 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.001 13.312 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.328 14.434 5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.518 15.875 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.043 14.707 3.647 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.686 15.920 3.447 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.574 15.446 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.158 16.070 0.561 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.219 16.695 1.381 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.016 16.775 0.121 1.00 0.00 H new ATOM 511 N TYR A 31 4.086 10.956 6.082 1.00 0.00 N ATOM 512 CA TYR A 31 5.308 10.560 6.772 1.00 0.00 C ATOM 513 C TYR A 31 6.501 11.040 5.961 1.00 0.00 C ATOM 514 O TYR A 31 7.608 11.203 6.477 1.00 0.00 O ATOM 515 CB TYR A 31 5.397 9.040 6.950 1.00 0.00 C ATOM 516 CG TYR A 31 4.370 8.448 7.893 1.00 0.00 C ATOM 517 CD1 TYR A 31 3.725 7.258 7.581 1.00 0.00 C ATOM 518 CD2 TYR A 31 4.046 9.073 9.092 1.00 0.00 C ATOM 519 CE1 TYR A 31 2.788 6.708 8.432 1.00 0.00 C ATOM 520 CE2 TYR A 31 3.108 8.526 9.949 1.00 0.00 C ATOM 521 CZ TYR A 31 2.482 7.344 9.614 1.00 0.00 C ATOM 522 OH TYR A 31 1.551 6.793 10.465 1.00 0.00 O ATOM 0 H TYR A 31 3.577 10.191 5.638 1.00 0.00 H new ATOM 0 HA TYR A 31 5.303 11.011 7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.288 8.567 5.974 1.00 0.00 H new ATOM 0 HB3 TYR A 31 6.393 8.789 7.316 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.961 6.754 6.655 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.534 9.999 9.358 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.297 5.782 8.172 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.867 9.023 10.877 1.00 0.00 H new ATOM 0 HH TYR A 31 1.451 7.364 11.255 1.00 0.00 H new ATOM 532 N PHE A 32 6.257 11.249 4.676 1.00 0.00 N ATOM 533 CA PHE A 32 7.252 11.741 3.761 1.00 0.00 C ATOM 534 C PHE A 32 6.908 13.163 3.385 1.00 0.00 C ATOM 535 O PHE A 32 5.787 13.618 3.618 1.00 0.00 O ATOM 536 CB PHE A 32 7.240 10.919 2.481 1.00 0.00 C ATOM 537 CG PHE A 32 6.873 9.462 2.661 1.00 0.00 C ATOM 538 CD1 PHE A 32 5.949 8.848 1.822 1.00 0.00 C ATOM 539 CD2 PHE A 32 7.455 8.704 3.670 1.00 0.00 C ATOM 540 CE1 PHE A 32 5.620 7.517 1.992 1.00 0.00 C ATOM 541 CE2 PHE A 32 7.125 7.374 3.840 1.00 0.00 C ATOM 542 CZ PHE A 32 6.208 6.780 2.999 1.00 0.00 C ATOM 0 H PHE A 32 5.349 11.077 4.243 1.00 0.00 H new ATOM 0 HA PHE A 32 8.229 11.679 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.536 11.372 1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.227 10.976 2.021 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.484 9.417 1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.176 9.162 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.900 7.052 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.585 6.800 4.631 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.950 5.739 3.128 1.00 0.00 H new ATOM 552 N ASN A 33 7.862 13.885 2.843 1.00 0.00 N ATOM 553 CA ASN A 33 7.538 15.142 2.211 1.00 0.00 C ATOM 554 C ASN A 33 8.033 15.180 0.771 1.00 0.00 C ATOM 555 O ASN A 33 7.533 15.949 -0.049 1.00 0.00 O ATOM 556 CB ASN A 33 8.082 16.337 3.002 1.00 0.00 C ATOM 557 CG ASN A 33 9.597 16.429 2.987 1.00 0.00 C ATOM 558 OD1 ASN A 33 10.299 15.417 2.979 1.00 0.00 O ATOM 559 ND2 ASN A 33 10.109 17.649 2.975 1.00 0.00 N ATOM 0 H ASN A 33 8.850 13.630 2.826 1.00 0.00 H new ATOM 0 HA ASN A 33 6.451 15.221 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.665 17.256 2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.740 16.266 4.034 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.121 17.777 2.958 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.492 18.461 2.982 1.00 0.00 H new ATOM 566 N ASP A 34 9.017 14.347 0.463 1.00 0.00 N ATOM 567 CA ASP A 34 9.612 14.322 -0.846 1.00 0.00 C ATOM 568 C ASP A 34 8.872 13.365 -1.773 1.00 0.00 C ATOM 569 O ASP A 34 9.440 12.811 -2.713 1.00 0.00 O ATOM 570 CB ASP A 34 11.098 13.969 -0.758 1.00 0.00 C ATOM 571 CG ASP A 34 11.840 14.229 -2.054 1.00 0.00 C ATOM 572 OD1 ASP A 34 11.910 15.401 -2.480 1.00 0.00 O ATOM 573 OD2 ASP A 34 12.369 13.267 -2.650 1.00 0.00 O ATOM 0 H ASP A 34 9.417 13.675 1.118 1.00 0.00 H new ATOM 0 HA ASP A 34 9.526 15.321 -1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.558 14.549 0.042 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.202 12.918 -0.489 1.00 0.00 H new ATOM 578 N VAL A 35 7.603 13.160 -1.485 1.00 0.00 N ATOM 579 CA VAL A 35 6.768 12.280 -2.277 1.00 0.00 C ATOM 580 C VAL A 35 5.772 13.073 -3.140 1.00 0.00 C ATOM 581 O VAL A 35 4.729 13.526 -2.669 1.00 0.00 O ATOM 582 CB VAL A 35 6.037 11.266 -1.366 1.00 0.00 C ATOM 583 CG1 VAL A 35 5.135 11.957 -0.350 1.00 0.00 C ATOM 584 CG2 VAL A 35 5.257 10.257 -2.196 1.00 0.00 C ATOM 0 H VAL A 35 7.123 13.597 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 35 7.413 11.726 -2.959 1.00 0.00 H new ATOM 0 HB VAL A 35 6.799 10.728 -0.802 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.642 11.207 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.734 12.612 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.383 12.547 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.751 9.554 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.518 10.779 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.942 9.714 -2.846 1.00 0.00 H new ATOM 594 N PRO A 36 6.111 13.301 -4.417 1.00 0.00 N ATOM 595 CA PRO A 36 5.210 13.955 -5.363 1.00 0.00 C ATOM 596 C PRO A 36 4.110 13.017 -5.862 1.00 0.00 C ATOM 597 O PRO A 36 2.965 13.436 -6.051 1.00 0.00 O ATOM 598 CB PRO A 36 6.130 14.368 -6.526 1.00 0.00 C ATOM 599 CG PRO A 36 7.522 14.088 -6.061 1.00 0.00 C ATOM 600 CD PRO A 36 7.402 13.002 -5.035 1.00 0.00 C ATOM 0 HA PRO A 36 4.686 14.793 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.898 13.803 -7.428 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.003 15.423 -6.769 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.155 13.773 -6.891 1.00 0.00 H new ATOM 0 HG3 PRO A 36 7.978 14.981 -5.633 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.416 12.011 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 36 8.217 13.034 -4.312 1.00 0.00 H new ATOM 608 N ASN A 37 4.454 11.748 -6.069 1.00 0.00 N ATOM 609 CA ASN A 37 3.511 10.789 -6.637 1.00 0.00 C ATOM 610 C ASN A 37 3.462 9.492 -5.834 1.00 0.00 C ATOM 611 O ASN A 37 4.455 8.767 -5.737 1.00 0.00 O ATOM 612 CB ASN A 37 3.869 10.468 -8.095 1.00 0.00 C ATOM 613 CG ASN A 37 3.811 11.682 -9.006 1.00 0.00 C ATOM 614 OD1 ASN A 37 2.755 12.025 -9.542 1.00 0.00 O ATOM 615 ND2 ASN A 37 4.946 12.331 -9.203 1.00 0.00 N ATOM 0 H ASN A 37 5.373 11.362 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 37 2.527 11.256 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.872 10.042 -8.131 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.186 9.707 -8.471 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.968 13.146 -9.816 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.800 12.017 -8.742 1.00 0.00 H new ATOM 622 N ALA A 38 2.301 9.226 -5.251 1.00 0.00 N ATOM 623 CA ALA A 38 2.004 7.945 -4.616 1.00 0.00 C ATOM 624 C ALA A 38 0.545 7.601 -4.916 1.00 0.00 C ATOM 625 O ALA A 38 -0.324 8.450 -4.756 1.00 0.00 O ATOM 626 CB ALA A 38 2.243 8.023 -3.114 1.00 0.00 C ATOM 0 H ALA A 38 1.533 9.895 -5.204 1.00 0.00 H new ATOM 0 HA ALA A 38 2.660 7.168 -5.008 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.016 7.059 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.286 8.277 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.598 8.789 -2.682 1.00 0.00 H new ATOM 632 N VAL A 39 0.276 6.389 -5.385 1.00 0.00 N ATOM 633 CA VAL A 39 -1.035 6.016 -5.846 1.00 0.00 C ATOM 634 C VAL A 39 -1.583 4.846 -5.029 1.00 0.00 C ATOM 635 O VAL A 39 -0.817 4.100 -4.445 1.00 0.00 O ATOM 636 CB VAL A 39 -0.914 5.608 -7.328 1.00 0.00 C ATOM 637 CG1 VAL A 39 -1.917 4.544 -7.672 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.063 6.805 -8.239 1.00 0.00 C ATOM 0 H VAL A 39 0.969 5.643 -5.452 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.722 6.855 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 39 0.084 5.197 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.813 4.272 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.743 3.665 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.924 4.921 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.973 6.486 -9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.041 7.261 -8.083 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.283 7.533 -8.014 1.00 0.00 H new ATOM 648 N ALA A 40 -2.905 4.702 -4.981 1.00 0.00 N ATOM 649 CA ALA A 40 -3.526 3.490 -4.446 1.00 0.00 C ATOM 650 C ALA A 40 -4.555 2.938 -5.427 1.00 0.00 C ATOM 651 O ALA A 40 -5.727 3.301 -5.384 1.00 0.00 O ATOM 652 CB ALA A 40 -4.178 3.774 -3.100 1.00 0.00 C ATOM 0 H ALA A 40 -3.567 5.407 -5.305 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.747 2.741 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.635 2.861 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.423 4.124 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.944 4.540 -3.221 1.00 0.00 H new ATOM 658 N HIS A 41 -4.097 2.077 -6.324 1.00 0.00 N ATOM 659 CA HIS A 41 -4.972 1.379 -7.261 1.00 0.00 C ATOM 660 C HIS A 41 -5.545 0.157 -6.562 1.00 0.00 C ATOM 661 O HIS A 41 -4.925 -0.903 -6.546 1.00 0.00 O ATOM 662 CB HIS A 41 -4.182 0.943 -8.502 1.00 0.00 C ATOM 663 CG HIS A 41 -5.025 0.375 -9.605 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.485 -0.924 -9.613 1.00 0.00 N ATOM 665 CD2 HIS A 41 -5.477 0.938 -10.750 1.00 0.00 C ATOM 666 CE1 HIS A 41 -6.181 -1.135 -10.714 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.193 -0.022 -11.421 1.00 0.00 N ATOM 0 H HIS A 41 -3.110 1.841 -6.425 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.775 2.043 -7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.631 1.801 -8.887 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.444 0.198 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -5.306 1.954 -11.075 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.660 -2.063 -10.990 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -6.658 0.105 -12.320 1.00 0.00 H new ATOM 676 N VAL A 42 -6.712 0.306 -5.973 1.00 0.00 N ATOM 677 CA VAL A 42 -7.266 -0.699 -5.118 1.00 0.00 C ATOM 678 C VAL A 42 -8.582 -1.145 -5.678 1.00 0.00 C ATOM 679 O VAL A 42 -9.254 -0.393 -6.360 1.00 0.00 O ATOM 680 CB VAL A 42 -7.436 -0.080 -3.734 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.598 -0.684 -3.009 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.170 -0.271 -2.952 1.00 0.00 C ATOM 0 H VAL A 42 -7.298 1.134 -6.080 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.617 -1.572 -5.049 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.640 0.985 -3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.693 -0.222 -2.026 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.511 -0.514 -3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.437 -1.756 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.284 0.169 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.960 -1.336 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.344 0.215 -3.472 1.00 0.00 H new ATOM 692 N LYS A 43 -8.920 -2.369 -5.416 1.00 0.00 N ATOM 693 CA LYS A 43 -10.174 -2.919 -5.895 1.00 0.00 C ATOM 694 C LYS A 43 -10.693 -3.967 -4.938 1.00 0.00 C ATOM 695 O LYS A 43 -10.114 -5.033 -4.764 1.00 0.00 O ATOM 696 CB LYS A 43 -10.017 -3.480 -7.312 1.00 0.00 C ATOM 697 CG LYS A 43 -11.262 -4.159 -7.865 1.00 0.00 C ATOM 698 CD LYS A 43 -10.903 -5.151 -8.960 1.00 0.00 C ATOM 699 CE LYS A 43 -10.121 -4.497 -10.089 1.00 0.00 C ATOM 700 NZ LYS A 43 -9.341 -5.498 -10.864 1.00 0.00 N ATOM 0 H LYS A 43 -8.351 -3.018 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.910 -2.116 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.734 -2.667 -7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.196 -4.197 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.787 -4.674 -7.061 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.945 -3.407 -8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.314 -5.963 -8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.815 -5.595 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.809 -3.976 -10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.445 -3.747 -9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.116 -5.111 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.459 -5.717 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.902 -6.367 -10.973 1.00 0.00 H new ATOM 714 N VAL A 44 -11.768 -3.608 -4.289 1.00 0.00 N ATOM 715 CA VAL A 44 -12.483 -4.490 -3.399 1.00 0.00 C ATOM 716 C VAL A 44 -13.685 -5.031 -4.160 1.00 0.00 C ATOM 717 O VAL A 44 -14.154 -4.420 -5.119 1.00 0.00 O ATOM 718 CB VAL A 44 -12.992 -3.727 -2.157 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.160 -2.871 -2.545 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.406 -4.663 -1.044 1.00 0.00 C ATOM 0 H VAL A 44 -12.181 -2.678 -4.364 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.819 -5.288 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.172 -3.112 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.522 -2.331 -1.670 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -13.851 -2.158 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.958 -3.501 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.757 -4.082 -0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.208 -5.313 -1.395 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.552 -5.270 -0.743 1.00 0.00 H new ATOM 730 N LYS A 45 -14.150 -6.165 -3.730 1.00 0.00 N ATOM 731 CA LYS A 45 -15.177 -6.920 -4.417 1.00 0.00 C ATOM 732 C LYS A 45 -15.908 -7.782 -3.393 1.00 0.00 C ATOM 733 O LYS A 45 -15.359 -8.772 -2.905 1.00 0.00 O ATOM 734 CB LYS A 45 -14.528 -7.840 -5.466 1.00 0.00 C ATOM 735 CG LYS A 45 -13.665 -7.158 -6.527 1.00 0.00 C ATOM 736 CD LYS A 45 -14.466 -6.305 -7.499 1.00 0.00 C ATOM 737 CE LYS A 45 -15.487 -7.123 -8.270 1.00 0.00 C ATOM 738 NZ LYS A 45 -15.988 -6.391 -9.462 1.00 0.00 N ATOM 0 H LYS A 45 -13.824 -6.609 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.870 -6.238 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.912 -8.572 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.320 -8.392 -5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.922 -6.532 -6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.120 -7.919 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.976 -5.513 -6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.787 -5.820 -8.200 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.037 -8.065 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.323 -7.371 -7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.016 -6.525 -9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.778 -5.378 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.521 -6.758 -10.316 1.00 0.00 H new ATOM 752 N THR A 46 -17.106 -7.381 -3.023 1.00 0.00 N ATOM 753 CA THR A 46 -17.903 -8.145 -2.081 1.00 0.00 C ATOM 754 C THR A 46 -19.367 -7.737 -2.145 1.00 0.00 C ATOM 755 O THR A 46 -19.690 -6.569 -2.381 1.00 0.00 O ATOM 756 CB THR A 46 -17.381 -7.983 -0.637 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.230 -8.683 0.275 1.00 0.00 O ATOM 758 CG2 THR A 46 -17.293 -6.522 -0.228 1.00 0.00 C ATOM 0 H THR A 46 -17.552 -6.528 -3.360 1.00 0.00 H new ATOM 0 HA THR A 46 -17.815 -9.194 -2.366 1.00 0.00 H new ATOM 0 HB THR A 46 -16.376 -8.404 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.477 -8.088 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 46 -16.922 -6.452 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 46 -16.612 -5.997 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.282 -6.068 -0.287 1.00 0.00 H new ATOM 766 N TYR A 47 -20.248 -8.706 -1.966 1.00 0.00 N ATOM 767 CA TYR A 47 -21.648 -8.418 -1.746 1.00 0.00 C ATOM 768 C TYR A 47 -22.095 -9.214 -0.529 1.00 0.00 C ATOM 769 O TYR A 47 -22.954 -10.091 -0.611 1.00 0.00 O ATOM 770 CB TYR A 47 -22.472 -8.789 -2.984 1.00 0.00 C ATOM 771 CG TYR A 47 -23.830 -8.124 -3.043 1.00 0.00 C ATOM 772 CD1 TYR A 47 -23.945 -6.778 -3.369 1.00 0.00 C ATOM 773 CD2 TYR A 47 -24.992 -8.839 -2.784 1.00 0.00 C ATOM 774 CE1 TYR A 47 -25.179 -6.164 -3.436 1.00 0.00 C ATOM 775 CE2 TYR A 47 -26.231 -8.230 -2.848 1.00 0.00 C ATOM 776 CZ TYR A 47 -26.318 -6.893 -3.174 1.00 0.00 C ATOM 777 OH TYR A 47 -27.552 -6.284 -3.245 1.00 0.00 O ATOM 0 H TYR A 47 -20.015 -9.699 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 47 -21.799 -7.353 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -21.908 -8.519 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.607 -9.870 -3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -23.054 -6.203 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -24.927 -9.886 -2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -25.251 -5.117 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -27.126 -8.798 -2.644 1.00 0.00 H new ATOM 0 HH TYR A 47 -28.252 -6.937 -3.033 1.00 0.00 H new ATOM 787 N SER A 48 -21.478 -8.869 0.595 1.00 0.00 N ATOM 788 CA SER A 48 -21.691 -9.514 1.885 1.00 0.00 C ATOM 789 C SER A 48 -20.777 -8.861 2.918 1.00 0.00 C ATOM 790 O SER A 48 -19.610 -8.590 2.636 1.00 0.00 O ATOM 791 CB SER A 48 -21.383 -11.017 1.810 1.00 0.00 C ATOM 792 OG SER A 48 -22.475 -11.748 1.273 1.00 0.00 O ATOM 0 H SER A 48 -20.796 -8.111 0.635 1.00 0.00 H new ATOM 0 HA SER A 48 -22.737 -9.394 2.169 1.00 0.00 H new ATOM 0 HB2 SER A 48 -20.499 -11.177 1.193 1.00 0.00 H new ATOM 0 HB3 SER A 48 -21.149 -11.391 2.807 1.00 0.00 H new ATOM 0 HG SER A 48 -23.064 -11.140 0.779 1.00 0.00 H new ATOM 798 N ASN A 49 -21.299 -8.601 4.106 1.00 0.00 N ATOM 799 CA ASN A 49 -20.491 -8.000 5.164 1.00 0.00 C ATOM 800 C ASN A 49 -19.508 -9.021 5.728 1.00 0.00 C ATOM 801 O ASN A 49 -18.552 -8.665 6.416 1.00 0.00 O ATOM 802 CB ASN A 49 -21.370 -7.431 6.288 1.00 0.00 C ATOM 803 CG ASN A 49 -22.108 -8.494 7.085 1.00 0.00 C ATOM 804 OD1 ASN A 49 -22.476 -9.547 6.565 1.00 0.00 O ATOM 805 ND2 ASN A 49 -22.337 -8.219 8.359 1.00 0.00 N ATOM 0 H ASN A 49 -22.267 -8.793 4.364 1.00 0.00 H new ATOM 0 HA ASN A 49 -19.932 -7.174 4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -20.746 -6.849 6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -22.097 -6.744 5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -22.834 -8.891 8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -22.017 -7.335 8.756 1.00 0.00 H new ATOM 812 N SER A 50 -19.744 -10.289 5.416 1.00 0.00 N ATOM 813 CA SER A 50 -18.885 -11.370 5.871 1.00 0.00 C ATOM 814 C SER A 50 -17.825 -11.705 4.834 1.00 0.00 C ATOM 815 O SER A 50 -17.123 -12.710 4.932 1.00 0.00 O ATOM 816 CB SER A 50 -19.720 -12.605 6.215 1.00 0.00 C ATOM 817 OG SER A 50 -20.777 -12.272 7.104 1.00 0.00 O ATOM 0 H SER A 50 -20.532 -10.594 4.844 1.00 0.00 H new ATOM 0 HA SER A 50 -18.371 -11.038 6.773 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.130 -13.037 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.083 -13.364 6.669 1.00 0.00 H new ATOM 0 HG SER A 50 -21.298 -13.076 7.308 1.00 0.00 H new ATOM 823 N ALA A 51 -17.733 -10.859 3.837 1.00 0.00 N ATOM 824 CA ALA A 51 -16.802 -11.074 2.734 1.00 0.00 C ATOM 825 C ALA A 51 -16.036 -9.837 2.391 1.00 0.00 C ATOM 826 O ALA A 51 -16.490 -8.721 2.642 1.00 0.00 O ATOM 827 CB ALA A 51 -17.509 -11.495 1.463 1.00 0.00 C ATOM 0 H ALA A 51 -18.290 -10.008 3.758 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.134 -11.860 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.775 -11.643 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -18.048 -12.426 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.214 -10.719 1.165 1.00 0.00 H new ATOM 833 N THR A 52 -14.884 -10.060 1.790 1.00 0.00 N ATOM 834 CA THR A 52 -14.208 -9.063 1.045 1.00 0.00 C ATOM 835 C THR A 52 -13.180 -9.692 0.114 1.00 0.00 C ATOM 836 O THR A 52 -12.415 -10.559 0.518 1.00 0.00 O ATOM 837 CB THR A 52 -13.497 -7.995 1.907 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.424 -7.266 2.712 1.00 0.00 O ATOM 839 CG2 THR A 52 -12.739 -7.038 1.023 1.00 0.00 C ATOM 0 H THR A 52 -14.400 -10.957 1.817 1.00 0.00 H new ATOM 0 HA THR A 52 -14.992 -8.556 0.482 1.00 0.00 H new ATOM 0 HB THR A 52 -12.805 -8.514 2.570 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.339 -7.521 2.470 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.242 -6.289 1.640 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.994 -7.587 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.433 -6.545 0.342 1.00 0.00 H new ATOM 847 N LYS A 53 -13.179 -9.279 -1.136 1.00 0.00 N ATOM 848 CA LYS A 53 -12.076 -9.593 -2.019 1.00 0.00 C ATOM 849 C LYS A 53 -11.407 -8.319 -2.463 1.00 0.00 C ATOM 850 O LYS A 53 -12.026 -7.460 -3.047 1.00 0.00 O ATOM 851 CB LYS A 53 -12.547 -10.408 -3.223 1.00 0.00 C ATOM 852 CG LYS A 53 -11.492 -10.547 -4.307 1.00 0.00 C ATOM 853 CD LYS A 53 -12.044 -11.237 -5.538 1.00 0.00 C ATOM 854 CE LYS A 53 -11.028 -11.239 -6.666 1.00 0.00 C ATOM 855 NZ LYS A 53 -11.550 -11.913 -7.879 1.00 0.00 N ATOM 0 H LYS A 53 -13.925 -8.728 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.355 -10.203 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.844 -11.401 -2.886 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.433 -9.937 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.117 -9.560 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.645 -11.114 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.320 -12.262 -5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.953 -10.732 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.755 -10.212 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.119 -11.741 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.826 -11.893 -8.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.787 -12.900 -7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.403 -11.419 -8.210 1.00 0.00 H new ATOM 869 N ILE A 54 -10.136 -8.196 -2.167 1.00 0.00 N ATOM 870 CA ILE A 54 -9.434 -6.968 -2.430 1.00 0.00 C ATOM 871 C ILE A 54 -8.206 -7.172 -3.263 1.00 0.00 C ATOM 872 O ILE A 54 -7.669 -8.278 -3.361 1.00 0.00 O ATOM 873 CB ILE A 54 -9.022 -6.281 -1.128 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.588 -7.277 -0.044 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.183 -5.486 -0.693 1.00 0.00 C ATOM 876 CD1 ILE A 54 -7.151 -7.739 -0.170 1.00 0.00 C ATOM 0 H ILE A 54 -9.569 -8.931 -1.745 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.132 -6.341 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.148 -5.651 -1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.726 -6.816 0.934 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.243 -8.147 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.943 -4.971 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.430 -4.752 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.036 -6.145 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.923 -8.440 0.633 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.010 -8.231 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.485 -6.879 -0.101 1.00 0.00 H new ATOM 888 N GLU A 55 -7.777 -6.090 -3.865 1.00 0.00 N ATOM 889 CA GLU A 55 -6.541 -6.047 -4.544 1.00 0.00 C ATOM 890 C GLU A 55 -6.043 -4.625 -4.558 1.00 0.00 C ATOM 891 O GLU A 55 -6.617 -3.746 -5.190 1.00 0.00 O ATOM 892 CB GLU A 55 -6.677 -6.600 -5.941 1.00 0.00 C ATOM 893 CG GLU A 55 -8.021 -6.364 -6.583 1.00 0.00 C ATOM 894 CD GLU A 55 -8.087 -6.880 -8.003 1.00 0.00 C ATOM 895 OE1 GLU A 55 -7.569 -6.198 -8.915 1.00 0.00 O ATOM 896 OE2 GLU A 55 -8.663 -7.963 -8.221 1.00 0.00 O ATOM 0 H GLU A 55 -8.296 -5.212 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.814 -6.672 -4.025 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.906 -6.155 -6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.486 -7.673 -5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.794 -6.850 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.239 -5.296 -6.578 1.00 0.00 H new ATOM 903 N VAL A 56 -4.984 -4.413 -3.832 1.00 0.00 N ATOM 904 CA VAL A 56 -4.375 -3.113 -3.725 1.00 0.00 C ATOM 905 C VAL A 56 -3.179 -3.103 -4.612 1.00 0.00 C ATOM 906 O VAL A 56 -2.549 -4.127 -4.843 1.00 0.00 O ATOM 907 CB VAL A 56 -3.906 -2.790 -2.269 1.00 0.00 C ATOM 908 CG1 VAL A 56 -3.961 -4.032 -1.459 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.481 -2.190 -2.237 1.00 0.00 C ATOM 0 H VAL A 56 -4.513 -5.140 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.114 -2.364 -4.009 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.576 -2.039 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.636 -3.817 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.983 -4.410 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.305 -4.783 -1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.197 -1.981 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.777 -2.901 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.463 -1.264 -2.812 1.00 0.00 H new ATOM 919 N THR A 57 -2.925 -1.967 -5.147 1.00 0.00 N ATOM 920 CA THR A 57 -1.678 -1.709 -5.813 1.00 0.00 C ATOM 921 C THR A 57 -1.363 -0.233 -5.685 1.00 0.00 C ATOM 922 O THR A 57 -1.937 0.611 -6.361 1.00 0.00 O ATOM 923 CB THR A 57 -1.704 -2.106 -7.298 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.266 -3.416 -7.446 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.304 -2.089 -7.890 1.00 0.00 C ATOM 0 H THR A 57 -3.571 -1.178 -5.142 1.00 0.00 H new ATOM 0 HA THR A 57 -0.909 -2.319 -5.338 1.00 0.00 H new ATOM 0 HB THR A 57 -2.318 -1.380 -7.831 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.280 -3.661 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.350 -2.373 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.116 -1.087 -7.803 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.328 -2.795 -7.351 1.00 0.00 H new ATOM 933 N ILE A 58 -0.458 0.043 -4.803 1.00 0.00 N ATOM 934 CA ILE A 58 -0.147 1.377 -4.361 1.00 0.00 C ATOM 935 C ILE A 58 1.280 1.753 -4.821 1.00 0.00 C ATOM 936 O ILE A 58 2.267 1.463 -4.139 1.00 0.00 O ATOM 937 CB ILE A 58 -0.253 1.371 -2.817 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.717 1.343 -2.375 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.460 2.553 -2.177 1.00 0.00 C ATOM 940 CD1 ILE A 58 -1.900 1.125 -0.888 1.00 0.00 C ATOM 0 H ILE A 58 0.109 -0.674 -4.351 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.831 2.114 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 58 0.246 0.465 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.190 2.284 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.235 0.551 -2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.354 2.499 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.518 2.526 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.020 3.482 -2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.964 1.117 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.457 0.171 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.411 1.930 -0.339 1.00 0.00 H new ATOM 952 N PRO A 59 1.405 2.308 -6.036 1.00 0.00 N ATOM 953 CA PRO A 59 2.673 2.816 -6.578 1.00 0.00 C ATOM 954 C PRO A 59 3.146 4.116 -5.931 1.00 0.00 C ATOM 955 O PRO A 59 2.627 5.193 -6.230 1.00 0.00 O ATOM 956 CB PRO A 59 2.346 3.086 -8.060 1.00 0.00 C ATOM 957 CG PRO A 59 1.094 2.333 -8.316 1.00 0.00 C ATOM 958 CD PRO A 59 0.341 2.404 -7.027 1.00 0.00 C ATOM 0 HA PRO A 59 3.477 2.101 -6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.212 4.151 -8.248 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.152 2.747 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.525 2.777 -9.133 1.00 0.00 H new ATOM 0 HG3 PRO A 59 1.303 1.301 -8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.218 3.335 -6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.378 1.590 -6.931 1.00 0.00 H new ATOM 966 N LEU A 60 4.128 4.008 -5.056 1.00 0.00 N ATOM 967 CA LEU A 60 4.861 5.167 -4.574 1.00 0.00 C ATOM 968 C LEU A 60 6.041 5.400 -5.505 1.00 0.00 C ATOM 969 O LEU A 60 6.209 4.664 -6.481 1.00 0.00 O ATOM 970 CB LEU A 60 5.384 4.933 -3.152 1.00 0.00 C ATOM 971 CG LEU A 60 4.436 5.299 -2.009 1.00 0.00 C ATOM 972 CD1 LEU A 60 3.173 4.464 -2.057 1.00 0.00 C ATOM 973 CD2 LEU A 60 5.135 5.119 -0.672 1.00 0.00 C ATOM 0 H LEU A 60 4.440 3.121 -4.660 1.00 0.00 H new ATOM 0 HA LEU A 60 4.197 6.031 -4.556 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.647 3.880 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.304 5.504 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 60 4.153 6.345 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.519 4.747 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.659 4.635 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.431 3.409 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.451 5.382 0.135 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.445 4.080 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.012 5.765 -0.630 1.00 0.00 H new ATOM 985 N LYS A 61 6.855 6.411 -5.227 1.00 0.00 N ATOM 986 CA LYS A 61 8.090 6.588 -5.962 1.00 0.00 C ATOM 987 C LYS A 61 8.926 5.354 -5.780 1.00 0.00 C ATOM 988 O LYS A 61 9.396 4.725 -6.730 1.00 0.00 O ATOM 989 CB LYS A 61 8.921 7.701 -5.371 1.00 0.00 C ATOM 990 CG LYS A 61 8.175 8.979 -5.035 1.00 0.00 C ATOM 991 CD LYS A 61 9.150 10.065 -4.603 1.00 0.00 C ATOM 992 CE LYS A 61 9.961 9.644 -3.386 1.00 0.00 C ATOM 993 NZ LYS A 61 11.034 10.621 -3.067 1.00 0.00 N ATOM 0 H LYS A 61 6.681 7.111 -4.506 1.00 0.00 H new ATOM 0 HA LYS A 61 7.831 6.798 -7.000 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.396 7.331 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.720 7.943 -6.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.608 9.315 -5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.456 8.789 -4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.825 10.297 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.600 10.978 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.298 9.540 -2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.404 8.665 -3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.646 10.233 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.601 10.804 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.607 11.510 -2.738 1.00 0.00 H new ATOM 1007 N ASN A 62 9.094 5.036 -4.508 1.00 0.00 N ATOM 1008 CA ASN A 62 10.042 4.053 -4.083 1.00 0.00 C ATOM 1009 C ASN A 62 9.618 2.653 -4.508 1.00 0.00 C ATOM 1010 O ASN A 62 10.313 1.981 -5.270 1.00 0.00 O ATOM 1011 CB ASN A 62 10.207 4.107 -2.588 1.00 0.00 C ATOM 1012 CG ASN A 62 11.271 3.159 -2.066 1.00 0.00 C ATOM 1013 OD1 ASN A 62 11.084 2.517 -1.037 1.00 0.00 O ATOM 1014 ND2 ASN A 62 12.408 3.097 -2.745 1.00 0.00 N ATOM 0 H ASN A 62 8.567 5.462 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 62 10.995 4.278 -4.561 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.462 5.125 -2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.254 3.868 -2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 62 13.167 2.500 -2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.524 3.647 -3.596 1.00 0.00 H new ATOM 1021 N VAL A 63 8.462 2.231 -4.010 1.00 0.00 N ATOM 1022 CA VAL A 63 7.948 0.901 -4.267 1.00 0.00 C ATOM 1023 C VAL A 63 6.440 0.933 -4.545 1.00 0.00 C ATOM 1024 O VAL A 63 5.738 1.860 -4.140 1.00 0.00 O ATOM 1025 CB VAL A 63 8.246 -0.012 -3.057 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.521 0.478 -1.813 1.00 0.00 C ATOM 1027 CG2 VAL A 63 7.904 -1.467 -3.351 1.00 0.00 C ATOM 0 H VAL A 63 7.859 2.803 -3.419 1.00 0.00 H new ATOM 0 HA VAL A 63 8.443 0.505 -5.154 1.00 0.00 H new ATOM 0 HB VAL A 63 9.318 0.038 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.748 -0.182 -0.976 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.849 1.490 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.446 0.478 -1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.128 -2.077 -2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.844 -1.550 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.496 -1.816 -4.197 1.00 0.00 H new ATOM 1037 N THR A 64 5.969 -0.078 -5.256 1.00 0.00 N ATOM 1038 CA THR A 64 4.556 -0.254 -5.539 1.00 0.00 C ATOM 1039 C THR A 64 4.032 -1.479 -4.791 1.00 0.00 C ATOM 1040 O THR A 64 4.440 -2.601 -5.088 1.00 0.00 O ATOM 1041 CB THR A 64 4.333 -0.464 -7.049 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.859 0.650 -7.785 1.00 0.00 O ATOM 1043 CG2 THR A 64 2.857 -0.642 -7.362 1.00 0.00 C ATOM 0 H THR A 64 6.562 -0.805 -5.656 1.00 0.00 H new ATOM 0 HA THR A 64 4.024 0.641 -5.215 1.00 0.00 H new ATOM 0 HB THR A 64 4.858 -1.372 -7.347 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.714 0.507 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.728 -0.788 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.474 -1.512 -6.828 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.309 0.246 -7.048 1.00 0.00 H new ATOM 1051 N LEU A 65 3.151 -1.287 -3.815 1.00 0.00 N ATOM 1052 CA LEU A 65 2.632 -2.431 -3.074 1.00 0.00 C ATOM 1053 C LEU A 65 1.347 -2.937 -3.629 1.00 0.00 C ATOM 1054 O LEU A 65 0.404 -2.197 -3.835 1.00 0.00 O ATOM 1055 CB LEU A 65 2.427 -2.167 -1.596 1.00 0.00 C ATOM 1056 CG LEU A 65 3.724 -2.193 -0.790 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.361 -0.813 -0.663 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.484 -2.817 0.568 1.00 0.00 C ATOM 0 H LEU A 65 2.790 -0.378 -3.524 1.00 0.00 H new ATOM 0 HA LEU A 65 3.413 -3.183 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.949 -1.195 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.742 -2.913 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 65 4.437 -2.809 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.280 -0.888 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.591 -0.426 -1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.668 -0.137 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.416 -2.830 1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.739 -2.234 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.123 -3.838 0.441 1.00 0.00 H new ATOM 1070 N ARG A 66 1.311 -4.217 -3.825 1.00 0.00 N ATOM 1071 CA ARG A 66 0.123 -4.862 -4.289 1.00 0.00 C ATOM 1072 C ARG A 66 -0.304 -5.952 -3.339 1.00 0.00 C ATOM 1073 O ARG A 66 0.508 -6.759 -2.889 1.00 0.00 O ATOM 1074 CB ARG A 66 0.362 -5.417 -5.655 1.00 0.00 C ATOM 1075 CG ARG A 66 -0.742 -6.308 -6.191 1.00 0.00 C ATOM 1076 CD ARG A 66 -0.679 -6.366 -7.701 1.00 0.00 C ATOM 1077 NE ARG A 66 0.595 -6.909 -8.177 1.00 0.00 N ATOM 1078 CZ ARG A 66 1.208 -6.522 -9.297 1.00 0.00 C ATOM 1079 NH1 ARG A 66 0.658 -5.608 -10.088 1.00 0.00 N ATOM 1080 NH2 ARG A 66 2.373 -7.059 -9.633 1.00 0.00 N ATOM 0 H ARG A 66 2.101 -4.843 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.683 -4.130 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.506 -4.587 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.292 -5.986 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.643 -7.311 -5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.713 -5.927 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.497 -6.981 -8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.821 -5.365 -8.108 1.00 0.00 H new ATOM 0 HE ARG A 66 1.044 -7.632 -7.614 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.241 -5.195 -9.841 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.135 -5.319 -10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.799 -7.767 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.843 -6.764 -10.489 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.573 -5.955 -3.032 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.140 -7.016 -2.185 1.00 0.00 C ATOM 1096 C ALA A 67 -3.466 -7.508 -2.725 1.00 0.00 C ATOM 1097 O ALA A 67 -4.450 -6.784 -2.725 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.299 -6.578 -0.736 1.00 0.00 C ATOM 0 H ALA A 67 -2.243 -5.251 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.425 -7.838 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.721 -7.396 -0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.325 -6.307 -0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.965 -5.717 -0.687 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.483 -8.746 -3.160 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.663 -9.330 -3.775 1.00 0.00 C ATOM 1106 C GLU A 68 -5.096 -10.573 -3.006 1.00 0.00 C ATOM 1107 O GLU A 68 -4.431 -11.608 -3.054 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.358 -9.656 -5.239 1.00 0.00 C ATOM 1109 CG GLU A 68 -2.990 -10.294 -5.436 1.00 0.00 C ATOM 1110 CD GLU A 68 -2.626 -10.480 -6.893 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -3.526 -10.766 -7.710 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -1.428 -10.358 -7.227 1.00 0.00 O ATOM 0 H GLU A 68 -2.685 -9.379 -3.100 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.488 -8.619 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.125 -10.329 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.414 -8.741 -5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.234 -9.674 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.972 -11.263 -4.937 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.205 -10.467 -2.286 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.640 -11.548 -1.411 1.00 0.00 C ATOM 1121 C GLU A 69 -8.136 -11.461 -1.121 1.00 0.00 C ATOM 1122 O GLU A 69 -8.724 -10.379 -1.131 1.00 0.00 O ATOM 1123 CB GLU A 69 -5.849 -11.505 -0.093 1.00 0.00 C ATOM 1124 CG GLU A 69 -6.188 -12.633 0.874 1.00 0.00 C ATOM 1125 CD GLU A 69 -5.358 -12.598 2.143 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -4.195 -13.056 2.108 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -5.868 -12.139 3.186 1.00 0.00 O ATOM 0 H GLU A 69 -6.816 -9.650 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.449 -12.492 -1.921 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.784 -11.543 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.036 -10.551 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.244 -12.574 1.136 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.037 -13.590 0.374 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.747 -12.615 -0.892 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.111 -12.678 -0.398 1.00 0.00 C ATOM 1136 C ARG A 70 -10.074 -12.860 1.115 1.00 0.00 C ATOM 1137 O ARG A 70 -9.650 -13.902 1.615 1.00 0.00 O ATOM 1138 CB ARG A 70 -10.878 -13.829 -1.057 1.00 0.00 C ATOM 1139 CG ARG A 70 -10.924 -13.733 -2.574 1.00 0.00 C ATOM 1140 CD ARG A 70 -11.742 -14.855 -3.193 1.00 0.00 C ATOM 1141 NE ARG A 70 -13.153 -14.792 -2.810 1.00 0.00 N ATOM 1142 CZ ARG A 70 -14.165 -15.091 -3.628 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -13.933 -15.465 -4.883 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -15.414 -15.018 -3.190 1.00 0.00 N ATOM 0 H ARG A 70 -8.313 -13.526 -1.043 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.629 -11.752 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.414 -14.774 -0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.897 -13.845 -0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.350 -12.772 -2.863 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.909 -13.764 -2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.660 -14.805 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.327 -15.815 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.377 -14.501 -1.858 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.975 -15.525 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.713 -15.691 -5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.601 -14.734 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.188 -15.246 -3.814 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.503 -11.840 1.833 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.403 -11.817 3.284 1.00 0.00 C ATOM 1160 C ASN A 71 -11.590 -11.051 3.855 1.00 0.00 C ATOM 1161 O ASN A 71 -11.963 -10.019 3.308 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.074 -11.165 3.691 1.00 0.00 C ATOM 1163 CG ASN A 71 -8.724 -11.307 5.117 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -9.555 -11.545 5.990 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -7.465 -11.118 5.352 1.00 0.00 N ATOM 0 H ASN A 71 -10.930 -11.005 1.431 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.423 -12.832 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.274 -11.599 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.117 -10.104 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.112 -11.163 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.826 -10.924 4.581 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.177 -11.571 4.937 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.430 -11.040 5.506 1.00 0.00 C ATOM 1174 C ASP A 72 -13.434 -9.516 5.565 1.00 0.00 C ATOM 1175 O ASP A 72 -14.395 -8.868 5.144 1.00 0.00 O ATOM 1176 CB ASP A 72 -13.657 -11.582 6.922 1.00 0.00 C ATOM 1177 CG ASP A 72 -13.672 -13.094 6.992 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -14.737 -13.701 6.766 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -12.611 -13.686 7.286 1.00 0.00 O ATOM 0 H ASP A 72 -11.801 -12.371 5.446 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.232 -11.368 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.873 -11.203 7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.604 -11.199 7.302 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.359 -8.959 6.097 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.214 -7.521 6.230 1.00 0.00 C ATOM 1186 C ASP A 73 -11.313 -6.958 5.183 1.00 0.00 C ATOM 1187 O ASP A 73 -10.117 -7.226 5.109 1.00 0.00 O ATOM 1188 CB ASP A 73 -11.697 -7.156 7.620 1.00 0.00 C ATOM 1189 CG ASP A 73 -12.767 -7.243 8.687 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -12.757 -8.218 9.471 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -13.620 -6.332 8.752 1.00 0.00 O ATOM 0 H ASP A 73 -11.563 -9.491 6.448 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.202 -7.082 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.874 -7.821 7.882 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.294 -6.143 7.598 1.00 0.00 H new ATOM 1196 N LEU A 74 -11.970 -6.203 4.355 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.374 -5.235 3.486 1.00 0.00 C ATOM 1198 C LEU A 74 -10.233 -4.522 4.153 1.00 0.00 C ATOM 1199 O LEU A 74 -9.129 -4.413 3.621 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.467 -4.223 3.238 1.00 0.00 C ATOM 1201 CG LEU A 74 -12.055 -2.854 2.680 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.131 -3.001 1.488 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.288 -2.047 2.301 1.00 0.00 C ATOM 0 H LEU A 74 -12.985 -6.248 4.263 1.00 0.00 H new ATOM 0 HA LEU A 74 -10.987 -5.711 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.184 -4.666 2.546 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -12.992 -4.058 4.179 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.511 -2.322 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.857 -2.014 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.231 -3.538 1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.639 -3.558 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.982 -1.078 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.856 -2.585 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.911 -1.899 3.183 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.544 -4.031 5.335 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.667 -3.137 6.004 1.00 0.00 C ATOM 1217 C TYR A 75 -8.459 -3.901 6.495 1.00 0.00 C ATOM 1218 O TYR A 75 -7.415 -3.331 6.780 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.379 -2.406 7.131 1.00 0.00 C ATOM 1220 CG TYR A 75 -11.372 -1.514 6.633 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -11.114 -0.735 5.555 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -12.566 -1.454 7.248 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -12.044 0.099 5.087 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -13.516 -0.630 6.807 1.00 0.00 C ATOM 1225 CZ TYR A 75 -13.273 0.169 5.710 1.00 0.00 C ATOM 1226 OH TYR A 75 -14.244 1.024 5.242 1.00 0.00 O ATOM 0 H TYR A 75 -11.403 -4.246 5.840 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.331 -2.370 5.306 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.843 -3.131 7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.651 -1.849 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.150 -0.790 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -12.757 -2.079 8.107 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.836 0.716 4.225 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -14.472 -0.588 7.307 1.00 0.00 H new ATOM 0 HH TYR A 75 -15.047 0.943 5.798 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.631 -5.218 6.549 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.586 -6.136 6.935 1.00 0.00 C ATOM 1238 C ALA A 76 -6.729 -6.437 5.734 1.00 0.00 C ATOM 1239 O ALA A 76 -5.536 -6.683 5.853 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.191 -7.421 7.442 1.00 0.00 C ATOM 0 H ALA A 76 -9.514 -5.675 6.321 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.984 -5.686 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.396 -8.108 7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.821 -7.210 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.794 -7.874 6.655 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.366 -6.435 4.574 1.00 0.00 N ATOM 1247 CA GLY A 77 -6.656 -6.629 3.342 1.00 0.00 C ATOM 1248 C GLY A 77 -5.798 -5.426 3.012 1.00 0.00 C ATOM 1249 O GLY A 77 -4.617 -5.549 2.684 1.00 0.00 O ATOM 0 H GLY A 77 -8.372 -6.301 4.471 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.029 -7.517 3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.366 -6.806 2.534 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.410 -4.254 3.100 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.701 -3.025 2.941 1.00 0.00 C ATOM 1255 C ILE A 78 -4.710 -2.811 4.108 1.00 0.00 C ATOM 1256 O ILE A 78 -3.683 -2.203 3.921 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.677 -1.827 2.812 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.432 -1.913 1.481 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -5.940 -0.495 2.926 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -8.394 -0.769 1.248 1.00 0.00 C ATOM 0 H ILE A 78 -7.407 -4.145 3.283 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.128 -3.084 2.016 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.393 -1.878 3.633 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.709 -1.939 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.984 -2.852 1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.653 0.324 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.445 -0.435 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.196 -0.422 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.890 -0.901 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.141 -0.754 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.846 0.173 1.248 1.00 0.00 H new ATOM 1272 N ASP A 79 -5.024 -3.309 5.315 1.00 0.00 N ATOM 1273 CA ASP A 79 -4.044 -3.347 6.440 1.00 0.00 C ATOM 1274 C ASP A 79 -2.950 -4.320 6.142 1.00 0.00 C ATOM 1275 O ASP A 79 -1.804 -4.063 6.461 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.724 -3.728 7.756 1.00 0.00 C ATOM 1277 CG ASP A 79 -3.754 -3.790 8.917 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.430 -2.727 9.486 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -3.325 -4.908 9.276 1.00 0.00 O ATOM 0 H ASP A 79 -5.941 -3.692 5.547 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.622 -2.347 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.506 -3.003 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.211 -4.697 7.642 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.279 -5.425 5.523 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.255 -6.327 5.070 1.00 0.00 C ATOM 1286 C LEU A 80 -1.294 -5.540 4.219 1.00 0.00 C ATOM 1287 O LEU A 80 -0.101 -5.508 4.487 1.00 0.00 O ATOM 1288 CB LEU A 80 -2.851 -7.477 4.262 1.00 0.00 C ATOM 1289 CG LEU A 80 -1.895 -8.633 3.963 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -1.480 -9.331 5.249 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -2.540 -9.617 2.999 1.00 0.00 C ATOM 0 H LEU A 80 -4.235 -5.718 5.324 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.744 -6.764 5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.712 -7.870 4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.222 -7.081 3.317 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.999 -8.229 3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.800 -10.150 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.978 -8.619 5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.364 -9.725 5.751 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.848 -10.434 2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.452 -10.016 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.783 -9.107 2.067 1.00 0.00 H new ATOM 1303 N ILE A 81 -1.837 -4.860 3.225 1.00 0.00 N ATOM 1304 CA ILE A 81 -1.008 -4.044 2.365 1.00 0.00 C ATOM 1305 C ILE A 81 -0.455 -2.787 3.042 1.00 0.00 C ATOM 1306 O ILE A 81 0.644 -2.377 2.720 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.725 -3.646 1.070 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.692 -3.587 -0.065 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.427 -2.298 1.221 1.00 0.00 C ATOM 1310 CD1 ILE A 81 0.384 -4.657 0.005 1.00 0.00 C ATOM 0 H ILE A 81 -2.831 -4.857 2.998 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.161 -4.688 2.126 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.489 -4.388 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.213 -3.676 -1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.214 -2.608 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.927 -2.041 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.164 -2.359 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.692 -1.530 1.462 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.069 -4.539 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.935 -4.558 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.079 -5.643 -0.040 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.178 -2.189 3.977 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.754 -0.930 4.612 1.00 0.00 C ATOM 1324 C ASN A 82 0.320 -1.189 5.651 1.00 0.00 C ATOM 1325 O ASN A 82 1.265 -0.421 5.830 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.950 -0.254 5.293 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.581 1.050 5.975 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -0.660 1.743 5.558 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -2.294 1.384 7.039 1.00 0.00 N ATOM 0 H ASN A 82 -2.068 -2.550 4.321 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.353 -0.279 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.725 -0.063 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.375 -0.936 6.029 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.085 2.245 7.543 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.053 0.780 7.354 1.00 0.00 H new ATOM 1336 N ASN A 83 0.154 -2.284 6.334 1.00 0.00 N ATOM 1337 CA ASN A 83 1.033 -2.657 7.401 1.00 0.00 C ATOM 1338 C ASN A 83 2.294 -3.276 6.793 1.00 0.00 C ATOM 1339 O ASN A 83 3.420 -3.027 7.236 1.00 0.00 O ATOM 1340 CB ASN A 83 0.234 -3.597 8.306 1.00 0.00 C ATOM 1341 CG ASN A 83 0.753 -5.026 8.342 1.00 0.00 C ATOM 1342 OD1 ASN A 83 1.641 -5.359 9.127 1.00 0.00 O ATOM 1343 ND2 ASN A 83 0.187 -5.886 7.511 1.00 0.00 N ATOM 0 H ASN A 83 -0.602 -2.948 6.164 1.00 0.00 H new ATOM 0 HA ASN A 83 1.378 -1.820 8.009 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.238 -3.196 9.320 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.803 -3.608 7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.484 -6.862 7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.546 -5.573 6.875 1.00 0.00 H new ATOM 1350 N LYS A 84 2.068 -4.048 5.733 1.00 0.00 N ATOM 1351 CA LYS A 84 3.157 -4.522 4.894 1.00 0.00 C ATOM 1352 C LYS A 84 3.744 -3.349 4.116 1.00 0.00 C ATOM 1353 O LYS A 84 4.875 -3.401 3.680 1.00 0.00 O ATOM 1354 CB LYS A 84 2.680 -5.609 3.924 1.00 0.00 C ATOM 1355 CG LYS A 84 3.796 -6.247 3.109 1.00 0.00 C ATOM 1356 CD LYS A 84 3.253 -7.249 2.099 1.00 0.00 C ATOM 1357 CE LYS A 84 2.492 -8.378 2.778 1.00 0.00 C ATOM 1358 NZ LYS A 84 2.037 -9.403 1.802 1.00 0.00 N ATOM 0 H LYS A 84 1.142 -4.356 5.438 1.00 0.00 H new ATOM 0 HA LYS A 84 3.922 -4.959 5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.168 -6.387 4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.948 -5.177 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.355 -5.471 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.495 -6.748 3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.595 -6.737 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.077 -7.664 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.130 -8.847 3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.630 -7.970 3.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.523 -10.155 2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.408 -8.961 1.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.862 -9.811 1.317 1.00 0.00 H new ATOM 1372 N LEU A 85 2.953 -2.298 3.933 1.00 0.00 N ATOM 1373 CA LEU A 85 3.424 -1.072 3.309 1.00 0.00 C ATOM 1374 C LEU A 85 4.491 -0.497 4.175 1.00 0.00 C ATOM 1375 O LEU A 85 5.599 -0.316 3.726 1.00 0.00 O ATOM 1376 CB LEU A 85 2.282 -0.063 3.092 1.00 0.00 C ATOM 1377 CG LEU A 85 2.657 1.255 2.401 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.488 1.764 1.573 1.00 0.00 C ATOM 1379 CD2 LEU A 85 3.056 2.310 3.426 1.00 0.00 C ATOM 0 H LEU A 85 1.972 -2.274 4.212 1.00 0.00 H new ATOM 0 HA LEU A 85 3.822 -1.298 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.505 -0.549 2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.845 0.172 4.063 1.00 0.00 H new ATOM 0 HG LEU A 85 3.508 1.065 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.766 2.700 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.230 1.025 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.629 1.933 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.318 3.235 2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.221 2.494 4.103 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.915 1.956 3.997 1.00 0.00 H new ATOM 1391 N GLU A 86 4.170 -0.269 5.436 1.00 0.00 N ATOM 1392 CA GLU A 86 5.176 0.157 6.386 1.00 0.00 C ATOM 1393 C GLU A 86 6.384 -0.774 6.290 1.00 0.00 C ATOM 1394 O GLU A 86 7.506 -0.325 6.089 1.00 0.00 O ATOM 1395 CB GLU A 86 4.579 0.150 7.793 1.00 0.00 C ATOM 1396 CG GLU A 86 5.599 0.284 8.915 1.00 0.00 C ATOM 1397 CD GLU A 86 6.403 1.568 8.847 1.00 0.00 C ATOM 1398 OE1 GLU A 86 5.796 2.660 8.830 1.00 0.00 O ATOM 1399 OE2 GLU A 86 7.648 1.494 8.845 1.00 0.00 O ATOM 0 H GLU A 86 3.231 -0.371 5.821 1.00 0.00 H new ATOM 0 HA GLU A 86 5.505 1.171 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.861 0.966 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.024 -0.777 7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.082 0.238 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.281 -0.566 8.880 1.00 0.00 H new ATOM 1406 N ARG A 87 6.111 -2.082 6.378 1.00 0.00 N ATOM 1407 CA ARG A 87 7.168 -3.097 6.331 1.00 0.00 C ATOM 1408 C ARG A 87 8.007 -3.035 5.043 1.00 0.00 C ATOM 1409 O ARG A 87 9.241 -3.069 5.084 1.00 0.00 O ATOM 1410 CB ARG A 87 6.557 -4.464 6.478 1.00 0.00 C ATOM 1411 CG ARG A 87 7.534 -5.623 6.342 1.00 0.00 C ATOM 1412 CD ARG A 87 6.803 -6.952 6.413 1.00 0.00 C ATOM 1413 NE ARG A 87 7.696 -8.099 6.260 1.00 0.00 N ATOM 1414 CZ ARG A 87 7.285 -9.368 6.303 1.00 0.00 C ATOM 1415 NH1 ARG A 87 5.994 -9.646 6.463 1.00 0.00 N ATOM 1416 NH2 ARG A 87 8.162 -10.357 6.175 1.00 0.00 N ATOM 0 H ARG A 87 5.169 -2.460 6.482 1.00 0.00 H new ATOM 0 HA ARG A 87 7.848 -2.891 7.158 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.075 -4.527 7.454 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.774 -4.578 5.728 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.068 -5.546 5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.281 -5.570 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.285 -7.026 7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.041 -6.984 5.634 1.00 0.00 H new ATOM 0 HE ARG A 87 8.689 -7.919 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.317 -8.889 6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.682 -10.616 6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.152 -10.147 6.044 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.846 -11.326 6.208 1.00 0.00 H new ATOM 1430 N GLN A 88 7.343 -2.881 3.910 1.00 0.00 N ATOM 1431 CA GLN A 88 7.982 -3.079 2.618 1.00 0.00 C ATOM 1432 C GLN A 88 8.558 -1.774 2.170 1.00 0.00 C ATOM 1433 O GLN A 88 9.655 -1.707 1.632 1.00 0.00 O ATOM 1434 CB GLN A 88 6.976 -3.571 1.579 1.00 0.00 C ATOM 1435 CG GLN A 88 7.375 -4.877 0.902 1.00 0.00 C ATOM 1436 CD GLN A 88 8.636 -4.760 0.062 1.00 0.00 C ATOM 1437 OE1 GLN A 88 8.840 -3.610 -0.560 1.00 0.00 O flip ATOM 1438 NE2 GLN A 88 9.410 -5.709 -0.047 1.00 0.00 N flip ATOM 0 H GLN A 88 6.359 -2.619 3.858 1.00 0.00 H new ATOM 0 HA GLN A 88 8.763 -3.832 2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.007 -3.704 2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 88 6.850 -2.802 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.525 -5.642 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.555 -5.215 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.221 -6.581 0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.241 -5.624 -0.632 1.00 0.00 H new ATOM 1447 N VAL A 89 7.781 -0.743 2.397 1.00 0.00 N ATOM 1448 CA VAL A 89 8.215 0.606 2.180 1.00 0.00 C ATOM 1449 C VAL A 89 9.514 0.861 2.909 1.00 0.00 C ATOM 1450 O VAL A 89 10.488 1.304 2.310 1.00 0.00 O ATOM 1451 CB VAL A 89 7.132 1.607 2.620 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.725 2.947 3.041 1.00 0.00 C ATOM 1453 CG2 VAL A 89 6.128 1.813 1.497 1.00 0.00 C ATOM 0 H VAL A 89 6.824 -0.822 2.740 1.00 0.00 H new ATOM 0 HA VAL A 89 8.385 0.747 1.113 1.00 0.00 H new ATOM 0 HB VAL A 89 6.630 1.184 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.923 3.621 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.407 2.796 3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.269 3.383 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.365 2.523 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.641 2.203 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.658 0.861 1.250 1.00 0.00 H new ATOM 1463 N ARG A 90 9.541 0.536 4.192 1.00 0.00 N ATOM 1464 CA ARG A 90 10.769 0.740 4.969 1.00 0.00 C ATOM 1465 C ARG A 90 11.854 -0.226 4.531 1.00 0.00 C ATOM 1466 O ARG A 90 13.021 0.149 4.469 1.00 0.00 O ATOM 1467 CB ARG A 90 10.574 0.629 6.482 1.00 0.00 C ATOM 1468 CG ARG A 90 10.206 -0.760 6.972 1.00 0.00 C ATOM 1469 CD ARG A 90 9.837 -0.755 8.444 1.00 0.00 C ATOM 1470 NE ARG A 90 10.968 -0.401 9.301 1.00 0.00 N ATOM 1471 CZ ARG A 90 10.878 0.413 10.351 1.00 0.00 C ATOM 1472 NH1 ARG A 90 9.740 1.047 10.612 1.00 0.00 N ATOM 1473 NH2 ARG A 90 11.937 0.612 11.126 1.00 0.00 N ATOM 0 H ARG A 90 8.757 0.141 4.711 1.00 0.00 H new ATOM 0 HA ARG A 90 11.071 1.767 4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.493 0.943 6.977 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.793 1.326 6.787 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.369 -1.142 6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.044 -1.438 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.024 -0.048 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.465 -1.740 8.726 1.00 0.00 H new ATOM 0 HE ARG A 90 11.880 -0.801 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.930 0.911 10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.676 1.669 11.418 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.818 0.142 10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.870 1.235 11.931 1.00 0.00 H new ATOM 1487 N LYS A 91 11.482 -1.465 4.224 1.00 0.00 N ATOM 1488 CA LYS A 91 12.455 -2.430 3.761 1.00 0.00 C ATOM 1489 C LYS A 91 13.122 -1.915 2.503 1.00 0.00 C ATOM 1490 O LYS A 91 14.344 -1.876 2.397 1.00 0.00 O ATOM 1491 CB LYS A 91 11.808 -3.749 3.503 1.00 0.00 C ATOM 1492 CG LYS A 91 12.761 -4.842 3.047 1.00 0.00 C ATOM 1493 CD LYS A 91 13.753 -5.220 4.136 1.00 0.00 C ATOM 1494 CE LYS A 91 14.755 -6.250 3.639 1.00 0.00 C ATOM 1495 NZ LYS A 91 14.091 -7.485 3.141 1.00 0.00 N ATOM 0 H LYS A 91 10.526 -1.815 4.288 1.00 0.00 H new ATOM 0 HA LYS A 91 13.209 -2.569 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.308 -4.078 4.414 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.036 -3.618 2.745 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.190 -5.723 2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.303 -4.506 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.282 -4.329 4.474 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.216 -5.618 4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.355 -5.815 2.840 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.439 -6.508 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.805 -8.226 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.397 -7.813 3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.606 -7.281 2.244 1.00 0.00 H new ATOM 1509 N TYR A 92 12.292 -1.451 1.590 1.00 0.00 N ATOM 1510 CA TYR A 92 12.747 -1.014 0.281 1.00 0.00 C ATOM 1511 C TYR A 92 13.548 0.282 0.381 1.00 0.00 C ATOM 1512 O TYR A 92 14.696 0.333 -0.059 1.00 0.00 O ATOM 1513 CB TYR A 92 11.553 -0.825 -0.659 1.00 0.00 C ATOM 1514 CG TYR A 92 11.894 -0.963 -2.128 1.00 0.00 C ATOM 1515 CD1 TYR A 92 11.344 -1.985 -2.891 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.761 -0.076 -2.753 1.00 0.00 C ATOM 1517 CE1 TYR A 92 11.646 -2.117 -4.232 1.00 0.00 C ATOM 1518 CE2 TYR A 92 13.068 -0.203 -4.093 1.00 0.00 C ATOM 1519 CZ TYR A 92 12.508 -1.224 -4.828 1.00 0.00 C ATOM 1520 OH TYR A 92 12.811 -1.352 -6.165 1.00 0.00 O ATOM 0 H TYR A 92 11.286 -1.366 1.732 1.00 0.00 H new ATOM 0 HA TYR A 92 13.401 -1.786 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.785 -1.556 -0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.123 0.162 -0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.668 -2.689 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.202 0.727 -2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.208 -2.917 -4.811 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.745 0.496 -4.563 1.00 0.00 H new ATOM 0 HH TYR A 92 13.432 -0.642 -6.429 1.00 0.00 H new ATOM 1530 N LYS A 93 12.955 1.323 0.969 1.00 0.00 N ATOM 1531 CA LYS A 93 13.602 2.630 1.017 1.00 0.00 C ATOM 1532 C LYS A 93 14.861 2.579 1.872 1.00 0.00 C ATOM 1533 O LYS A 93 15.891 3.142 1.506 1.00 0.00 O ATOM 1534 CB LYS A 93 12.646 3.717 1.536 1.00 0.00 C ATOM 1535 CG LYS A 93 12.225 3.540 2.984 1.00 0.00 C ATOM 1536 CD LYS A 93 11.324 4.672 3.449 1.00 0.00 C ATOM 1537 CE LYS A 93 10.998 4.550 4.928 1.00 0.00 C ATOM 1538 NZ LYS A 93 10.139 5.664 5.404 1.00 0.00 N ATOM 0 H LYS A 93 12.038 1.285 1.413 1.00 0.00 H new ATOM 0 HA LYS A 93 13.883 2.892 -0.003 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.126 4.689 1.426 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.754 3.729 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.704 2.590 3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.111 3.496 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.812 5.628 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.401 4.665 2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.494 3.601 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.924 4.535 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.941 5.541 6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.629 6.569 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.244 5.663 4.874 1.00 0.00 H new ATOM 1552 N THR A 94 14.790 1.878 2.994 1.00 0.00 N ATOM 1553 CA THR A 94 15.924 1.782 3.886 1.00 0.00 C ATOM 1554 C THR A 94 17.024 0.895 3.283 1.00 0.00 C ATOM 1555 O THR A 94 18.210 1.182 3.445 1.00 0.00 O ATOM 1556 CB THR A 94 15.486 1.297 5.291 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.760 2.345 5.951 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.676 0.887 6.145 1.00 0.00 C ATOM 0 H THR A 94 13.961 1.371 3.303 1.00 0.00 H new ATOM 0 HA THR A 94 16.348 2.778 4.010 1.00 0.00 H new ATOM 0 HB THR A 94 14.852 0.420 5.161 1.00 0.00 H new ATOM 0 HG1 THR A 94 14.480 2.040 6.839 1.00 0.00 H new ATOM 0 HG21 THR A 94 16.325 0.554 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.213 0.074 5.655 1.00 0.00 H new ATOM 0 HG23 THR A 94 17.344 1.739 6.271 1.00 0.00 H new ATOM 1566 N ARG A 95 16.641 -0.150 2.549 1.00 0.00 N ATOM 1567 CA ARG A 95 17.626 -0.982 1.860 1.00 0.00 C ATOM 1568 C ARG A 95 18.268 -0.203 0.713 1.00 0.00 C ATOM 1569 O ARG A 95 19.490 -0.184 0.576 1.00 0.00 O ATOM 1570 CB ARG A 95 16.975 -2.274 1.342 1.00 0.00 C ATOM 1571 CG ARG A 95 17.950 -3.318 0.804 1.00 0.00 C ATOM 1572 CD ARG A 95 18.372 -3.037 -0.632 1.00 0.00 C ATOM 1573 NE ARG A 95 17.227 -2.990 -1.544 1.00 0.00 N ATOM 1574 CZ ARG A 95 17.316 -2.677 -2.836 1.00 0.00 C ATOM 1575 NH1 ARG A 95 18.500 -2.413 -3.378 1.00 0.00 N ATOM 1576 NH2 ARG A 95 16.222 -2.647 -3.590 1.00 0.00 N ATOM 0 H ARG A 95 15.671 -0.437 2.417 1.00 0.00 H new ATOM 0 HA ARG A 95 18.406 -1.256 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.397 -2.721 2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.270 -2.016 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.835 -3.346 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 95 17.488 -4.304 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 95 18.907 -2.088 -0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 95 19.067 -3.809 -0.963 1.00 0.00 H new ATOM 0 HE ARG A 95 16.305 -3.210 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 95 19.343 -2.450 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.566 -2.174 -4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 95 15.314 -2.864 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 95 16.291 -2.407 -4.579 1.00 0.00 H new ATOM 1590 N ILE A 96 17.446 0.453 -0.103 1.00 0.00 N ATOM 1591 CA ILE A 96 17.956 1.192 -1.254 1.00 0.00 C ATOM 1592 C ILE A 96 18.721 2.437 -0.800 1.00 0.00 C ATOM 1593 O ILE A 96 19.536 2.983 -1.541 1.00 0.00 O ATOM 1594 CB ILE A 96 16.827 1.586 -2.243 1.00 0.00 C ATOM 1595 CG1 ILE A 96 17.409 2.012 -3.594 1.00 0.00 C ATOM 1596 CG2 ILE A 96 15.970 2.706 -1.676 1.00 0.00 C ATOM 1597 CD1 ILE A 96 18.161 0.911 -4.309 1.00 0.00 C ATOM 0 H ILE A 96 16.433 0.488 0.010 1.00 0.00 H new ATOM 0 HA ILE A 96 18.639 0.528 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 96 16.199 0.707 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.599 2.361 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 96 18.080 2.857 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 96 15.187 2.962 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.516 2.379 -0.741 1.00 0.00 H new ATOM 0 HG23 ILE A 96 16.592 3.582 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 96 18.543 1.288 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 96 18.993 0.577 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 96 17.489 0.073 -4.496 1.00 0.00 H new ATOM 1609 N ASN A 97 18.450 2.891 0.417 1.00 0.00 N ATOM 1610 CA ASN A 97 19.218 3.980 1.004 1.00 0.00 C ATOM 1611 C ASN A 97 20.569 3.468 1.487 1.00 0.00 C ATOM 1612 O ASN A 97 21.608 4.060 1.202 1.00 0.00 O ATOM 1613 CB ASN A 97 18.460 4.615 2.175 1.00 0.00 C ATOM 1614 CG ASN A 97 19.203 5.785 2.800 1.00 0.00 C ATOM 1615 OD1 ASN A 97 19.876 6.579 1.981 1.00 0.00 O flip ATOM 1616 ND2 ASN A 97 19.152 5.989 4.014 1.00 0.00 N flip ATOM 0 H ASN A 97 17.708 2.524 1.014 1.00 0.00 H new ATOM 0 HA ASN A 97 19.371 4.738 0.236 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.485 4.955 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.280 3.857 2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.624 5.357 4.616 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.638 6.790 4.417 1.00 0.00 H new ATOM 1623 N ARG A 98 20.544 2.340 2.188 1.00 0.00 N ATOM 1624 CA ARG A 98 21.742 1.790 2.818 1.00 0.00 C ATOM 1625 C ARG A 98 22.666 1.086 1.827 1.00 0.00 C ATOM 1626 O ARG A 98 23.761 0.677 2.201 1.00 0.00 O ATOM 1627 CB ARG A 98 21.360 0.809 3.929 1.00 0.00 C ATOM 1628 CG ARG A 98 20.883 1.477 5.208 1.00 0.00 C ATOM 1629 CD ARG A 98 20.464 0.449 6.250 1.00 0.00 C ATOM 1630 NE ARG A 98 21.527 -0.516 6.538 1.00 0.00 N ATOM 1631 CZ ARG A 98 21.432 -1.481 7.455 1.00 0.00 C ATOM 1632 NH1 ARG A 98 20.340 -1.588 8.205 1.00 0.00 N ATOM 1633 NH2 ARG A 98 22.433 -2.338 7.624 1.00 0.00 N ATOM 0 H ARG A 98 19.702 1.784 2.336 1.00 0.00 H new ATOM 0 HA ARG A 98 22.285 2.639 3.233 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.575 0.148 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.222 0.183 4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 98 21.679 2.103 5.612 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.043 2.134 4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.183 0.961 7.170 1.00 0.00 H new ATOM 0 HD3 ARG A 98 19.580 -0.082 5.898 1.00 0.00 H new ATOM 0 HE ARG A 98 22.394 -0.446 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.570 -0.931 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.272 -2.327 8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 98 23.274 -2.258 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.360 -3.075 8.325 1.00 0.00 H new