USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 97 ASN : amide:sc= 0.436 K(o=0.51,f=-4.6!) USER MOD Set 1.2: A 135 GLN : amide:sc= 0.078 K(o=0.51,f=-4!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 141:sc= -0.0379 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.35 K(o=-0.96,f=-3.2) USER MOD Set 2.3: A 111 ASN : amide:sc= -0.567 K(o=-0.96,f=-2) USER MOD Single : A 5 THR OG1 : rot -23:sc= 0.0595 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 13 LYS NZ :NH3+ 169:sc= -0.0268 (180deg=-0.141) USER MOD Single : A 17 SER OG : rot 67:sc= 0.416 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.18) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -73:sc= 0.924 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00737 USER MOD Single : A 36 MET CE :methyl -144:sc= 0 (180deg=-0.789) USER MOD Single : A 38 SER OG : rot 77:sc= 0.814 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 42 ASN : amide:sc= -0.0359 K(o=-0.036,f=-3.2!) USER MOD Single : A 44 THR OG1 : rot -81:sc= 1.28 USER MOD Single : A 49 GLN : amide:sc=-0.00316 X(o=-0.0032,f=0) USER MOD Single : A 51 MET CE :methyl -174:sc= 0 (180deg=-0.0291) USER MOD Single : A 53 ASN : amide:sc= -0.0254 X(o=-0.025,f=-0.025) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -88:sc= 0.108 USER MOD Single : A 71 MET CE :methyl -160:sc= 0 (180deg=-0.348) USER MOD Single : A 72 MET CE :methyl 178:sc= 0 (180deg=-0.00595) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -79:sc= 1.24 USER MOD Single : A 109 MET CE :methyl -178:sc= 0 (180deg=-0.00508) USER MOD Single : A 110 THR OG1 : rot 15:sc= 0.243 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -72:sc= 1.18 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -1.16 K(o=-1.2,f=-11!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.7!) USER MOD Single : A 144 MET CE :methyl -117:sc= 0 (180deg=-0.00558) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.986 17.835 1.421 1.00 0.00 N ATOM 59 CA THR A 5 -14.719 18.777 0.635 1.00 0.00 C ATOM 60 C THR A 5 -15.810 18.134 -0.150 1.00 0.00 C ATOM 61 O THR A 5 -15.879 16.909 -0.060 1.00 0.00 O ATOM 62 CB THR A 5 -13.846 19.525 -0.328 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.038 18.695 -1.150 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.865 20.310 0.560 1.00 0.00 C ATOM 0 HA THR A 5 -15.144 19.471 1.360 1.00 0.00 H new ATOM 0 HB THR A 5 -14.487 20.113 -0.985 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.908 17.828 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.187 20.887 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.422 20.986 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.289 19.614 1.170 1.00 0.00 H new ATOM 72 N GLU A 6 -16.675 18.953 -0.775 1.00 0.00 N ATOM 73 CA GLU A 6 -17.819 18.570 -1.543 1.00 0.00 C ATOM 74 C GLU A 6 -17.515 17.923 -2.850 1.00 0.00 C ATOM 75 O GLU A 6 -18.381 17.199 -3.339 1.00 0.00 O ATOM 76 CB GLU A 6 -18.836 19.700 -1.778 1.00 0.00 C ATOM 77 CG GLU A 6 -18.225 20.873 -2.547 1.00 0.00 C ATOM 78 CD GLU A 6 -19.137 22.056 -2.840 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.189 21.898 -3.514 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.727 23.158 -2.388 1.00 0.00 O ATOM 0 H GLU A 6 -16.563 19.966 -0.739 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.271 17.821 -0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.690 19.309 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.213 20.053 -0.818 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.367 21.238 -1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.845 20.495 -3.496 1.00 0.00 H new ATOM 87 N GLU A 7 -16.333 18.110 -3.465 1.00 0.00 N ATOM 88 CA GLU A 7 -16.019 17.363 -4.643 1.00 0.00 C ATOM 89 C GLU A 7 -15.524 16.002 -4.290 1.00 0.00 C ATOM 90 O GLU A 7 -15.814 14.971 -4.894 1.00 0.00 O ATOM 91 CB GLU A 7 -14.967 18.075 -5.510 1.00 0.00 C ATOM 92 CG GLU A 7 -15.552 19.233 -6.321 1.00 0.00 C ATOM 93 CD GLU A 7 -14.439 20.081 -6.919 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.702 20.698 -6.105 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.238 20.099 -8.163 1.00 0.00 O ATOM 0 H GLU A 7 -15.611 18.761 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.941 17.279 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.170 18.452 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.515 17.353 -6.190 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.187 18.843 -7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.184 19.850 -5.682 1.00 0.00 H new ATOM 102 N GLN A 8 -14.746 15.950 -3.194 1.00 0.00 N ATOM 103 CA GLN A 8 -14.321 14.680 -2.692 1.00 0.00 C ATOM 104 C GLN A 8 -15.438 13.785 -2.276 1.00 0.00 C ATOM 105 O GLN A 8 -15.508 12.608 -2.624 1.00 0.00 O ATOM 106 CB GLN A 8 -13.331 14.948 -1.545 1.00 0.00 C ATOM 107 CG GLN A 8 -11.943 15.256 -2.110 1.00 0.00 C ATOM 108 CD GLN A 8 -10.931 15.695 -1.061 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.219 15.584 0.130 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.824 16.332 -1.528 1.00 0.00 N ATOM 0 H GLN A 8 -14.419 16.761 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.838 14.127 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.680 15.785 -0.941 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.280 14.080 -0.888 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.563 14.369 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.034 16.039 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.651 16.384 -2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.167 16.758 -0.874 1.00 0.00 H new ATOM 119 N ILE A 9 -16.420 14.320 -1.529 1.00 0.00 N ATOM 120 CA ILE A 9 -17.652 13.677 -1.192 1.00 0.00 C ATOM 121 C ILE A 9 -18.478 13.311 -2.377 1.00 0.00 C ATOM 122 O ILE A 9 -19.095 12.252 -2.272 1.00 0.00 O ATOM 123 CB ILE A 9 -18.459 14.379 -0.140 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.437 13.714 1.246 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.923 14.672 -0.508 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.096 13.872 1.961 1.00 0.00 C ATOM 0 H ILE A 9 -16.349 15.259 -1.137 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.331 12.742 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.925 15.328 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.225 14.146 1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.662 12.653 1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.412 15.181 0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.956 15.308 -1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.441 13.735 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.142 13.382 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.308 13.415 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.879 14.931 2.098 1.00 0.00 H new ATOM 138 N ALA A 10 -18.522 14.160 -3.419 1.00 0.00 N ATOM 139 CA ALA A 10 -19.171 13.751 -4.625 1.00 0.00 C ATOM 140 C ALA A 10 -18.605 12.526 -5.258 1.00 0.00 C ATOM 141 O ALA A 10 -19.330 11.645 -5.716 1.00 0.00 O ATOM 142 CB ALA A 10 -18.967 14.920 -5.603 1.00 0.00 C ATOM 0 H ALA A 10 -18.123 15.099 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.208 13.510 -4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.438 14.683 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.417 15.823 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.900 15.084 -5.756 1.00 0.00 H new ATOM 148 N GLU A 11 -17.267 12.390 -5.227 1.00 0.00 N ATOM 149 CA GLU A 11 -16.536 11.353 -5.886 1.00 0.00 C ATOM 150 C GLU A 11 -16.654 10.063 -5.150 1.00 0.00 C ATOM 151 O GLU A 11 -16.841 9.045 -5.814 1.00 0.00 O ATOM 152 CB GLU A 11 -15.089 11.860 -6.000 1.00 0.00 C ATOM 153 CG GLU A 11 -14.124 10.808 -6.549 1.00 0.00 C ATOM 154 CD GLU A 11 -12.725 11.379 -6.735 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.273 12.049 -5.769 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.076 11.160 -7.793 1.00 0.00 O ATOM 0 H GLU A 11 -16.665 13.036 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.931 11.140 -6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.068 12.736 -6.648 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.745 12.182 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.084 9.958 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.496 10.434 -7.503 1.00 0.00 H new ATOM 163 N PHE A 12 -16.577 10.190 -3.813 1.00 0.00 N ATOM 164 CA PHE A 12 -16.854 9.113 -2.914 1.00 0.00 C ATOM 165 C PHE A 12 -18.266 8.638 -2.950 1.00 0.00 C ATOM 166 O PHE A 12 -18.537 7.455 -2.754 1.00 0.00 O ATOM 167 CB PHE A 12 -16.578 9.463 -1.441 1.00 0.00 C ATOM 168 CG PHE A 12 -15.153 9.652 -1.049 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.210 8.702 -1.360 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.719 10.738 -0.326 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.892 8.884 -1.011 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.417 10.930 0.072 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.490 9.978 -0.282 1.00 0.00 C ATOM 0 H PHE A 12 -16.317 11.059 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.179 8.335 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.120 10.378 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.999 8.672 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.506 7.805 -1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.447 11.488 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.158 8.153 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.132 11.800 0.644 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.456 10.089 0.010 1.00 0.00 H new ATOM 183 N LYS A 13 -19.229 9.509 -3.301 1.00 0.00 N ATOM 184 CA LYS A 13 -20.582 9.049 -3.370 1.00 0.00 C ATOM 185 C LYS A 13 -20.806 8.442 -4.712 1.00 0.00 C ATOM 186 O LYS A 13 -21.514 7.444 -4.839 1.00 0.00 O ATOM 187 CB LYS A 13 -21.539 10.236 -3.165 1.00 0.00 C ATOM 188 CG LYS A 13 -22.966 9.802 -2.824 1.00 0.00 C ATOM 189 CD LYS A 13 -23.434 9.153 -1.520 1.00 0.00 C ATOM 190 CE LYS A 13 -23.244 10.102 -0.335 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.134 11.283 -0.405 1.00 0.00 N ATOM 0 H LYS A 13 -19.083 10.492 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.769 8.308 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.157 10.870 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.556 10.842 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.578 10.696 -2.941 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.257 9.111 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.485 8.877 -1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.876 8.233 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.435 9.562 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.206 10.435 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.104 11.794 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.816 11.913 -1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.108 10.973 -0.595 1.00 0.00 H new ATOM 205 N GLU A 14 -20.162 8.934 -5.786 1.00 0.00 N ATOM 206 CA GLU A 14 -20.170 8.376 -7.103 1.00 0.00 C ATOM 207 C GLU A 14 -19.563 7.015 -7.108 1.00 0.00 C ATOM 208 O GLU A 14 -20.191 6.132 -7.690 1.00 0.00 O ATOM 209 CB GLU A 14 -19.433 9.253 -8.130 1.00 0.00 C ATOM 210 CG GLU A 14 -19.582 8.914 -9.615 1.00 0.00 C ATOM 211 CD GLU A 14 -20.928 9.368 -10.161 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.051 10.544 -10.596 1.00 0.00 O ATOM 213 OE2 GLU A 14 -21.878 8.542 -10.212 1.00 0.00 O ATOM 0 H GLU A 14 -19.597 9.781 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.218 8.321 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.766 10.281 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.371 9.226 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.780 9.390 -10.180 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.476 7.838 -9.756 1.00 0.00 H new ATOM 220 N ALA A 15 -18.393 6.720 -6.515 1.00 0.00 N ATOM 221 CA ALA A 15 -17.787 5.437 -6.334 1.00 0.00 C ATOM 222 C ALA A 15 -18.544 4.587 -5.372 1.00 0.00 C ATOM 223 O ALA A 15 -18.508 3.362 -5.469 1.00 0.00 O ATOM 224 CB ALA A 15 -16.380 5.617 -5.740 1.00 0.00 C ATOM 0 H ALA A 15 -17.812 7.460 -6.122 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.769 4.957 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.916 4.641 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.772 6.214 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.453 6.124 -4.778 1.00 0.00 H new ATOM 230 N PHE A 16 -19.285 5.082 -4.364 1.00 0.00 N ATOM 231 CA PHE A 16 -20.157 4.278 -3.566 1.00 0.00 C ATOM 232 C PHE A 16 -21.200 3.619 -4.401 1.00 0.00 C ATOM 233 O PHE A 16 -21.390 2.404 -4.363 1.00 0.00 O ATOM 234 CB PHE A 16 -20.788 5.192 -2.502 1.00 0.00 C ATOM 235 CG PHE A 16 -21.552 4.378 -1.515 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.815 3.846 -1.623 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.885 4.045 -0.359 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.455 3.151 -0.625 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.454 3.336 0.672 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.727 2.844 0.501 1.00 0.00 C ATOM 0 H PHE A 16 -19.277 6.067 -4.097 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.595 3.476 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.010 5.760 -1.992 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.450 5.915 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.340 3.984 -2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.857 4.358 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.490 2.857 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.915 3.169 1.593 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.160 2.209 1.260 1.00 0.00 H new ATOM 250 N SER A 17 -21.779 4.410 -5.321 1.00 0.00 N ATOM 251 CA SER A 17 -22.863 4.054 -6.183 1.00 0.00 C ATOM 252 C SER A 17 -22.416 3.209 -7.325 1.00 0.00 C ATOM 253 O SER A 17 -23.227 2.546 -7.970 1.00 0.00 O ATOM 254 CB SER A 17 -23.795 5.187 -6.646 1.00 0.00 C ATOM 255 OG SER A 17 -24.105 6.056 -5.567 1.00 0.00 O ATOM 0 H SER A 17 -21.466 5.369 -5.473 1.00 0.00 H new ATOM 0 HA SER A 17 -23.502 3.464 -5.526 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.319 5.751 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.713 4.765 -7.055 1.00 0.00 H new ATOM 0 HG SER A 17 -23.296 6.533 -5.288 1.00 0.00 H new ATOM 261 N LEU A 18 -21.114 2.967 -7.561 1.00 0.00 N ATOM 262 CA LEU A 18 -20.670 1.853 -8.341 1.00 0.00 C ATOM 263 C LEU A 18 -20.715 0.527 -7.663 1.00 0.00 C ATOM 264 O LEU A 18 -20.875 -0.496 -8.326 1.00 0.00 O ATOM 265 CB LEU A 18 -19.263 1.978 -8.951 1.00 0.00 C ATOM 266 CG LEU A 18 -18.900 3.232 -9.764 1.00 0.00 C ATOM 267 CD1 LEU A 18 -17.384 3.463 -9.644 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.511 3.178 -11.174 1.00 0.00 C ATOM 0 H LEU A 18 -20.358 3.553 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.420 1.892 -9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -18.545 1.898 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.109 1.114 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.355 4.137 -9.363 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.105 4.349 -10.214 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.120 3.607 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -16.852 2.596 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.237 4.078 -11.724 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.134 2.302 -11.701 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.597 3.116 -11.098 1.00 0.00 H new ATOM 280 N PHE A 19 -20.500 0.479 -6.337 1.00 0.00 N ATOM 281 CA PHE A 19 -20.372 -0.687 -5.518 1.00 0.00 C ATOM 282 C PHE A 19 -21.725 -1.141 -5.090 1.00 0.00 C ATOM 283 O PHE A 19 -22.146 -2.271 -5.332 1.00 0.00 O ATOM 284 CB PHE A 19 -19.521 -0.452 -4.258 1.00 0.00 C ATOM 285 CG PHE A 19 -18.055 -0.644 -4.443 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.432 -1.870 -4.408 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.331 0.523 -4.506 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.062 -1.956 -4.485 1.00 0.00 C ATOM 289 CE2 PHE A 19 -15.957 0.464 -4.527 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.359 -0.774 -4.488 1.00 0.00 C ATOM 0 H PHE A 19 -20.408 1.335 -5.790 1.00 0.00 H new ATOM 0 HA PHE A 19 -19.868 -1.440 -6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.697 0.563 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.865 -1.128 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.022 -2.770 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.836 1.477 -4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -15.560 -2.910 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.364 1.365 -4.573 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.280 -0.820 -4.458 1.00 0.00 H new ATOM 300 N ASP A 20 -22.541 -0.230 -4.530 1.00 0.00 N ATOM 301 CA ASP A 20 -23.922 -0.441 -4.223 1.00 0.00 C ATOM 302 C ASP A 20 -24.706 -0.624 -5.477 1.00 0.00 C ATOM 303 O ASP A 20 -25.030 0.330 -6.182 1.00 0.00 O ATOM 304 CB ASP A 20 -24.559 0.641 -3.335 1.00 0.00 C ATOM 305 CG ASP A 20 -25.874 0.239 -2.682 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.213 -0.966 -2.830 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.507 1.118 -2.039 1.00 0.00 O ATOM 0 H ASP A 20 -22.219 0.705 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.953 -1.351 -3.625 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.850 0.913 -2.553 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.727 1.533 -3.938 1.00 0.00 H new ATOM 312 N LYS A 21 -25.151 -1.880 -5.667 1.00 0.00 N ATOM 313 CA LYS A 21 -25.890 -2.313 -6.811 1.00 0.00 C ATOM 314 C LYS A 21 -27.356 -2.073 -6.699 1.00 0.00 C ATOM 315 O LYS A 21 -27.930 -1.270 -7.432 1.00 0.00 O ATOM 316 CB LYS A 21 -25.596 -3.738 -7.311 1.00 0.00 C ATOM 317 CG LYS A 21 -24.154 -3.846 -7.810 1.00 0.00 C ATOM 318 CD LYS A 21 -23.812 -3.129 -9.117 1.00 0.00 C ATOM 319 CE LYS A 21 -22.454 -3.529 -9.698 1.00 0.00 C ATOM 320 NZ LYS A 21 -21.361 -3.012 -8.845 1.00 0.00 N ATOM 0 H LYS A 21 -24.987 -2.627 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.499 -1.659 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.763 -4.453 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.285 -3.997 -8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.497 -3.460 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -23.917 -4.903 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.589 -3.341 -9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -23.821 -2.053 -8.944 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.387 -4.615 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.353 -3.136 -10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -20.449 -3.155 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.506 -1.997 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.359 -3.520 -7.938 1.00 0.00 H new ATOM 334 N ASP A 22 -28.064 -2.771 -5.794 1.00 0.00 N ATOM 335 CA ASP A 22 -29.447 -2.614 -5.464 1.00 0.00 C ATOM 336 C ASP A 22 -29.761 -1.236 -4.993 1.00 0.00 C ATOM 337 O ASP A 22 -30.840 -0.726 -5.287 1.00 0.00 O ATOM 338 CB ASP A 22 -30.051 -3.712 -4.573 1.00 0.00 C ATOM 339 CG ASP A 22 -29.098 -4.116 -3.457 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.346 -3.262 -2.915 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.045 -5.327 -3.114 1.00 0.00 O ATOM 0 H ASP A 22 -27.628 -3.512 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.965 -2.758 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.987 -3.357 -4.142 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.290 -4.584 -5.181 1.00 0.00 H new ATOM 346 N GLY A 23 -28.773 -0.527 -4.417 1.00 0.00 N ATOM 347 CA GLY A 23 -28.922 0.876 -4.185 1.00 0.00 C ATOM 348 C GLY A 23 -29.684 1.108 -2.926 1.00 0.00 C ATOM 349 O GLY A 23 -30.381 2.113 -2.792 1.00 0.00 O ATOM 0 H GLY A 23 -27.881 -0.920 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.942 1.348 -4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.442 1.338 -5.024 1.00 0.00 H new ATOM 353 N ASP A 24 -29.664 0.191 -1.943 1.00 0.00 N ATOM 354 CA ASP A 24 -30.327 0.313 -0.682 1.00 0.00 C ATOM 355 C ASP A 24 -29.723 1.279 0.278 1.00 0.00 C ATOM 356 O ASP A 24 -30.311 1.809 1.220 1.00 0.00 O ATOM 357 CB ASP A 24 -30.474 -1.069 -0.023 1.00 0.00 C ATOM 358 CG ASP A 24 -29.227 -1.919 0.169 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.106 -1.425 -0.125 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.350 -3.078 0.648 1.00 0.00 O ATOM 0 H ASP A 24 -29.154 -0.688 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.302 0.736 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.929 -0.922 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.180 -1.647 -0.619 1.00 0.00 H new ATOM 365 N GLY A 25 -28.436 1.625 0.096 1.00 0.00 N ATOM 366 CA GLY A 25 -27.648 2.537 0.865 1.00 0.00 C ATOM 367 C GLY A 25 -26.406 1.909 1.396 1.00 0.00 C ATOM 368 O GLY A 25 -25.652 2.662 2.010 1.00 0.00 O ATOM 0 H GLY A 25 -27.895 1.223 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.382 3.394 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.244 2.916 1.696 1.00 0.00 H new ATOM 372 N THR A 26 -26.226 0.586 1.235 1.00 0.00 N ATOM 373 CA THR A 26 -25.065 -0.086 1.731 1.00 0.00 C ATOM 374 C THR A 26 -24.407 -1.031 0.785 1.00 0.00 C ATOM 375 O THR A 26 -25.025 -1.437 -0.199 1.00 0.00 O ATOM 376 CB THR A 26 -25.302 -0.731 3.064 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.448 -1.568 3.049 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.548 0.289 4.189 1.00 0.00 C ATOM 0 H THR A 26 -26.890 -0.023 0.757 1.00 0.00 H new ATOM 0 HA THR A 26 -24.346 0.723 1.857 1.00 0.00 H new ATOM 0 HB THR A 26 -24.390 -1.298 3.253 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.570 -1.972 3.934 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.713 -0.238 5.129 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.679 0.940 4.286 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.426 0.889 3.951 1.00 0.00 H new ATOM 386 N ILE A 27 -23.157 -1.411 1.104 1.00 0.00 N ATOM 387 CA ILE A 27 -22.325 -2.323 0.382 1.00 0.00 C ATOM 388 C ILE A 27 -22.094 -3.544 1.205 1.00 0.00 C ATOM 389 O ILE A 27 -21.742 -3.462 2.380 1.00 0.00 O ATOM 390 CB ILE A 27 -20.931 -1.841 0.109 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.028 -0.361 -0.294 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.427 -2.699 -1.063 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.716 0.366 -0.589 1.00 0.00 C ATOM 0 H ILE A 27 -22.691 -1.049 1.936 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.863 -2.473 -0.554 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.258 -1.926 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.660 -0.292 -1.179 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.540 0.175 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.410 -2.403 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.437 -3.750 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.076 -2.553 -1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.926 1.400 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.081 0.345 0.297 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.203 -0.129 -1.414 1.00 0.00 H new ATOM 405 N THR A 28 -22.338 -4.752 0.665 1.00 0.00 N ATOM 406 CA THR A 28 -22.288 -6.044 1.276 1.00 0.00 C ATOM 407 C THR A 28 -21.095 -6.845 0.885 1.00 0.00 C ATOM 408 O THR A 28 -20.296 -6.432 0.046 1.00 0.00 O ATOM 409 CB THR A 28 -23.486 -6.867 0.907 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.705 -6.909 -0.496 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.691 -6.133 1.520 1.00 0.00 C ATOM 0 H THR A 28 -22.601 -4.827 -0.318 1.00 0.00 H new ATOM 0 HA THR A 28 -22.251 -5.835 2.345 1.00 0.00 H new ATOM 0 HB THR A 28 -23.344 -7.889 1.259 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.052 -6.044 -0.799 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.606 -6.680 1.290 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.568 -6.071 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.755 -5.128 1.104 1.00 0.00 H new ATOM 419 N THR A 29 -20.947 -8.082 1.393 1.00 0.00 N ATOM 420 CA THR A 29 -20.034 -9.087 0.944 1.00 0.00 C ATOM 421 C THR A 29 -20.067 -9.334 -0.525 1.00 0.00 C ATOM 422 O THR A 29 -19.053 -9.371 -1.221 1.00 0.00 O ATOM 423 CB THR A 29 -20.325 -10.379 1.649 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.692 -10.752 1.733 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.872 -10.302 3.117 1.00 0.00 C ATOM 0 H THR A 29 -21.511 -8.403 2.180 1.00 0.00 H new ATOM 0 HA THR A 29 -19.039 -8.709 1.179 1.00 0.00 H new ATOM 0 HB THR A 29 -19.792 -11.108 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.770 -11.606 2.208 1.00 0.00 H new ATOM 0 HG21 THR A 29 -20.090 -11.247 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.800 -10.109 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.405 -9.495 3.620 1.00 0.00 H new ATOM 433 N LYS A 30 -21.321 -9.384 -1.008 1.00 0.00 N ATOM 434 CA LYS A 30 -21.515 -9.667 -2.396 1.00 0.00 C ATOM 435 C LYS A 30 -21.083 -8.569 -3.306 1.00 0.00 C ATOM 436 O LYS A 30 -20.392 -8.795 -4.298 1.00 0.00 O ATOM 437 CB LYS A 30 -22.967 -10.025 -2.757 1.00 0.00 C ATOM 438 CG LYS A 30 -23.596 -11.147 -1.929 1.00 0.00 C ATOM 439 CD LYS A 30 -24.992 -11.522 -2.429 1.00 0.00 C ATOM 440 CE LYS A 30 -25.018 -12.582 -3.532 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.342 -12.539 -4.192 1.00 0.00 N ATOM 0 H LYS A 30 -22.170 -9.235 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.874 -10.535 -2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.580 -9.130 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.001 -10.310 -3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.952 -12.026 -1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.657 -10.836 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.580 -11.883 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.484 -10.622 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.227 -12.394 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.836 -13.571 -3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.377 -13.254 -4.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.085 -12.737 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.495 -11.596 -4.602 1.00 0.00 H new ATOM 455 N GLU A 31 -21.328 -7.310 -2.901 1.00 0.00 N ATOM 456 CA GLU A 31 -20.975 -6.116 -3.604 1.00 0.00 C ATOM 457 C GLU A 31 -19.543 -5.722 -3.480 1.00 0.00 C ATOM 458 O GLU A 31 -19.063 -5.089 -4.419 1.00 0.00 O ATOM 459 CB GLU A 31 -21.851 -5.000 -3.012 1.00 0.00 C ATOM 460 CG GLU A 31 -23.319 -5.178 -3.404 1.00 0.00 C ATOM 461 CD GLU A 31 -24.316 -4.283 -2.680 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.393 -4.321 -1.423 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.146 -3.643 -3.379 1.00 0.00 O ATOM 0 H GLU A 31 -21.806 -7.114 -2.021 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.135 -6.288 -4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.760 -5.001 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.494 -4.031 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.413 -5.000 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.598 -6.217 -3.228 1.00 0.00 H new ATOM 470 N LEU A 32 -18.795 -6.045 -2.410 1.00 0.00 N ATOM 471 CA LEU A 32 -17.366 -6.003 -2.432 1.00 0.00 C ATOM 472 C LEU A 32 -16.836 -7.129 -3.253 1.00 0.00 C ATOM 473 O LEU A 32 -15.933 -6.985 -4.076 1.00 0.00 O ATOM 474 CB LEU A 32 -16.796 -6.020 -1.004 1.00 0.00 C ATOM 475 CG LEU A 32 -16.767 -4.777 -0.098 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.777 -4.935 1.067 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.474 -3.458 -0.833 1.00 0.00 C ATOM 0 H LEU A 32 -19.188 -6.340 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.045 -5.069 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.348 -6.786 -0.460 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.766 -6.367 -1.086 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.785 -4.711 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.790 -4.034 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.065 -5.792 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.773 -5.091 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.473 -2.635 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.499 -3.520 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.242 -3.283 -1.586 1.00 0.00 H new ATOM 489 N GLY A 33 -17.453 -8.318 -3.138 1.00 0.00 N ATOM 490 CA GLY A 33 -17.031 -9.536 -3.756 1.00 0.00 C ATOM 491 C GLY A 33 -16.972 -9.396 -5.239 1.00 0.00 C ATOM 492 O GLY A 33 -15.971 -9.782 -5.839 1.00 0.00 O ATOM 0 H GLY A 33 -18.298 -8.435 -2.579 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.050 -9.819 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.719 -10.339 -3.491 1.00 0.00 H new ATOM 496 N THR A 34 -18.015 -8.904 -5.931 1.00 0.00 N ATOM 497 CA THR A 34 -18.086 -8.654 -7.337 1.00 0.00 C ATOM 498 C THR A 34 -16.894 -7.966 -7.909 1.00 0.00 C ATOM 499 O THR A 34 -16.329 -8.346 -8.933 1.00 0.00 O ATOM 500 CB THR A 34 -19.181 -7.714 -7.748 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.411 -8.117 -7.163 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.480 -7.680 -9.256 1.00 0.00 C ATOM 0 H THR A 34 -18.887 -8.660 -5.462 1.00 0.00 H new ATOM 0 HA THR A 34 -18.220 -9.673 -7.700 1.00 0.00 H new ATOM 0 HB THR A 34 -18.818 -6.739 -7.424 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.121 -7.498 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.285 -6.972 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.586 -7.371 -9.797 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.781 -8.673 -9.590 1.00 0.00 H new ATOM 510 N VAL A 35 -16.339 -6.944 -7.234 1.00 0.00 N ATOM 511 CA VAL A 35 -15.353 -6.087 -7.815 1.00 0.00 C ATOM 512 C VAL A 35 -13.980 -6.658 -7.723 1.00 0.00 C ATOM 513 O VAL A 35 -13.228 -6.554 -8.691 1.00 0.00 O ATOM 514 CB VAL A 35 -15.493 -4.702 -7.258 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.379 -3.817 -7.842 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.880 -4.143 -7.620 1.00 0.00 C ATOM 0 H VAL A 35 -16.578 -6.709 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.530 -6.012 -8.888 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.401 -4.719 -6.172 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.471 -2.806 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.407 -4.228 -7.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.469 -3.789 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.983 -3.136 -7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.988 -4.112 -8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.653 -4.785 -7.197 1.00 0.00 H new ATOM 526 N MET A 36 -13.730 -7.346 -6.594 1.00 0.00 N ATOM 527 CA MET A 36 -12.621 -8.205 -6.316 1.00 0.00 C ATOM 528 C MET A 36 -12.478 -9.304 -7.313 1.00 0.00 C ATOM 529 O MET A 36 -11.402 -9.631 -7.812 1.00 0.00 O ATOM 530 CB MET A 36 -12.694 -8.736 -4.875 1.00 0.00 C ATOM 531 CG MET A 36 -12.551 -7.676 -3.781 1.00 0.00 C ATOM 532 SD MET A 36 -12.210 -8.398 -2.148 1.00 0.00 S ATOM 533 CE MET A 36 -12.464 -6.835 -1.261 1.00 0.00 C ATOM 0 H MET A 36 -14.368 -7.294 -5.800 1.00 0.00 H new ATOM 0 HA MET A 36 -11.716 -7.605 -6.408 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.648 -9.247 -4.741 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.911 -9.482 -4.740 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.746 -6.991 -4.047 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.466 -7.087 -3.730 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.764 -6.772 -0.428 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.295 -6.000 -1.940 1.00 0.00 H new ATOM 0 HE3 MET A 36 -13.485 -6.794 -0.882 1.00 0.00 H new ATOM 543 N ARG A 37 -13.550 -10.007 -7.720 1.00 0.00 N ATOM 544 CA ARG A 37 -13.573 -10.986 -8.761 1.00 0.00 C ATOM 545 C ARG A 37 -13.490 -10.400 -10.128 1.00 0.00 C ATOM 546 O ARG A 37 -12.950 -11.010 -11.050 1.00 0.00 O ATOM 547 CB ARG A 37 -14.850 -11.841 -8.701 1.00 0.00 C ATOM 548 CG ARG A 37 -14.794 -13.091 -7.820 1.00 0.00 C ATOM 549 CD ARG A 37 -14.693 -12.840 -6.314 1.00 0.00 C ATOM 550 NE ARG A 37 -15.124 -14.070 -5.592 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.431 -14.126 -5.202 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.317 -13.121 -5.461 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.816 -15.122 -4.352 1.00 0.00 N ATOM 0 H ARG A 37 -14.466 -9.881 -7.289 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.687 -11.596 -8.585 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.666 -11.211 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.102 -12.150 -9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.686 -13.687 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.938 -13.691 -8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.669 -12.582 -6.042 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.321 -11.996 -6.029 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.475 -14.832 -5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.011 -12.288 -5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.286 -13.203 -5.152 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.133 -15.804 -4.022 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.787 -15.185 -4.046 1.00 0.00 H new ATOM 567 N SER A 38 -13.949 -9.154 -10.348 1.00 0.00 N ATOM 568 CA SER A 38 -13.891 -8.649 -11.684 1.00 0.00 C ATOM 569 C SER A 38 -12.574 -8.026 -11.996 1.00 0.00 C ATOM 570 O SER A 38 -12.180 -7.835 -13.145 1.00 0.00 O ATOM 571 CB SER A 38 -14.986 -7.589 -11.890 1.00 0.00 C ATOM 572 OG SER A 38 -16.286 -8.147 -11.773 1.00 0.00 O ATOM 0 H SER A 38 -14.339 -8.527 -9.645 1.00 0.00 H new ATOM 0 HA SER A 38 -14.039 -9.499 -12.350 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.864 -6.793 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.872 -7.135 -12.874 1.00 0.00 H new ATOM 0 HG SER A 38 -16.500 -8.282 -10.826 1.00 0.00 H new ATOM 578 N LEU A 39 -11.708 -7.790 -10.994 1.00 0.00 N ATOM 579 CA LEU A 39 -10.348 -7.357 -11.081 1.00 0.00 C ATOM 580 C LEU A 39 -9.496 -8.574 -10.952 1.00 0.00 C ATOM 581 O LEU A 39 -8.272 -8.457 -10.937 1.00 0.00 O ATOM 582 CB LEU A 39 -9.989 -6.331 -9.993 1.00 0.00 C ATOM 583 CG LEU A 39 -10.735 -4.986 -10.028 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.808 -4.389 -8.612 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.042 -3.939 -10.916 1.00 0.00 C ATOM 0 H LEU A 39 -11.993 -7.917 -10.023 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.185 -6.853 -12.034 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.167 -6.792 -9.021 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.920 -6.127 -10.059 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.723 -5.202 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.338 -3.437 -8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.339 -5.077 -7.954 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.799 -4.230 -8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.615 -3.012 -10.900 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.037 -3.751 -10.539 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.982 -4.311 -11.939 1.00 0.00 H new ATOM 597 N GLY A 40 -10.155 -9.743 -10.865 1.00 0.00 N ATOM 598 CA GLY A 40 -9.522 -11.025 -10.825 1.00 0.00 C ATOM 599 C GLY A 40 -8.977 -11.712 -9.620 1.00 0.00 C ATOM 600 O GLY A 40 -8.092 -12.560 -9.721 1.00 0.00 O ATOM 0 H GLY A 40 -11.173 -9.797 -10.821 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.244 -11.719 -11.254 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.689 -10.960 -11.524 1.00 0.00 H new ATOM 604 N GLN A 41 -9.395 -11.297 -8.411 1.00 0.00 N ATOM 605 CA GLN A 41 -9.200 -12.104 -7.247 1.00 0.00 C ATOM 606 C GLN A 41 -10.266 -13.128 -7.059 1.00 0.00 C ATOM 607 O GLN A 41 -11.259 -13.243 -7.775 1.00 0.00 O ATOM 608 CB GLN A 41 -9.118 -11.205 -6.002 1.00 0.00 C ATOM 609 CG GLN A 41 -7.846 -10.355 -6.034 1.00 0.00 C ATOM 610 CD GLN A 41 -7.657 -9.707 -4.671 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.611 -9.351 -3.981 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.393 -9.264 -4.436 1.00 0.00 N ATOM 0 H GLN A 41 -9.865 -10.408 -8.240 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.265 -12.645 -7.389 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.994 -10.557 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.129 -11.819 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.984 -10.975 -6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.921 -9.591 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.624 -9.579 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.214 -8.617 -3.668 1.00 0.00 H new ATOM 621 N ASN A 42 -10.196 -13.955 -6.000 1.00 0.00 N ATOM 622 CA ASN A 42 -11.168 -14.941 -5.641 1.00 0.00 C ATOM 623 C ASN A 42 -11.040 -15.177 -4.176 1.00 0.00 C ATOM 624 O ASN A 42 -10.585 -16.257 -3.802 1.00 0.00 O ATOM 625 CB ASN A 42 -10.999 -16.203 -6.505 1.00 0.00 C ATOM 626 CG ASN A 42 -12.260 -17.053 -6.555 1.00 0.00 C ATOM 627 OD1 ASN A 42 -13.375 -16.735 -6.146 1.00 0.00 O ATOM 628 ND2 ASN A 42 -12.014 -18.289 -7.067 1.00 0.00 N ATOM 0 H ASN A 42 -9.408 -13.933 -5.353 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.186 -14.605 -5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -10.722 -15.911 -7.518 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.178 -16.801 -6.110 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.764 -18.978 -7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.079 -18.527 -7.399 1.00 0.00 H new ATOM 635 N PRO A 43 -11.432 -14.298 -3.302 1.00 0.00 N ATOM 636 CA PRO A 43 -11.873 -14.685 -1.994 1.00 0.00 C ATOM 637 C PRO A 43 -13.089 -15.543 -1.914 1.00 0.00 C ATOM 638 O PRO A 43 -14.009 -15.445 -2.725 1.00 0.00 O ATOM 639 CB PRO A 43 -12.197 -13.386 -1.261 1.00 0.00 C ATOM 640 CG PRO A 43 -12.711 -12.503 -2.410 1.00 0.00 C ATOM 641 CD PRO A 43 -11.715 -12.887 -3.516 1.00 0.00 C ATOM 0 HA PRO A 43 -11.071 -15.292 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.950 -13.530 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.319 -12.959 -0.777 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.742 -12.732 -2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.673 -11.441 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.140 -12.716 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.806 -12.289 -3.452 1.00 0.00 H new ATOM 649 N THR A 44 -13.145 -16.410 -0.888 1.00 0.00 N ATOM 650 CA THR A 44 -14.339 -17.138 -0.587 1.00 0.00 C ATOM 651 C THR A 44 -15.416 -16.307 0.020 1.00 0.00 C ATOM 652 O THR A 44 -15.123 -15.186 0.432 1.00 0.00 O ATOM 653 CB THR A 44 -14.168 -18.306 0.340 1.00 0.00 C ATOM 654 OG1 THR A 44 -13.594 -18.060 1.616 1.00 0.00 O ATOM 655 CG2 THR A 44 -13.325 -19.404 -0.330 1.00 0.00 C ATOM 0 H THR A 44 -12.362 -16.608 -0.265 1.00 0.00 H new ATOM 0 HA THR A 44 -14.614 -17.490 -1.581 1.00 0.00 H new ATOM 0 HB THR A 44 -15.201 -18.598 0.531 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.618 -18.024 1.534 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.210 -20.244 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.824 -19.742 -1.238 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.343 -19.005 -0.583 1.00 0.00 H new ATOM 663 N GLU A 45 -16.629 -16.870 0.165 1.00 0.00 N ATOM 664 CA GLU A 45 -17.678 -16.225 0.892 1.00 0.00 C ATOM 665 C GLU A 45 -17.420 -15.938 2.331 1.00 0.00 C ATOM 666 O GLU A 45 -17.717 -14.857 2.836 1.00 0.00 O ATOM 667 CB GLU A 45 -19.040 -16.920 0.725 1.00 0.00 C ATOM 668 CG GLU A 45 -19.334 -16.929 -0.777 1.00 0.00 C ATOM 669 CD GLU A 45 -20.831 -16.954 -1.050 1.00 0.00 C ATOM 670 OE1 GLU A 45 -21.499 -15.888 -1.115 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.371 -18.087 -1.159 1.00 0.00 O ATOM 0 H GLU A 45 -16.884 -17.778 -0.224 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.707 -15.247 0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.010 -17.935 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.818 -16.387 1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.893 -16.047 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.864 -17.799 -1.236 1.00 0.00 H new ATOM 678 N ALA A 46 -16.775 -16.862 3.065 1.00 0.00 N ATOM 679 CA ALA A 46 -16.303 -16.613 4.391 1.00 0.00 C ATOM 680 C ALA A 46 -15.205 -15.633 4.626 1.00 0.00 C ATOM 681 O ALA A 46 -15.337 -14.758 5.480 1.00 0.00 O ATOM 682 CB ALA A 46 -15.683 -17.889 4.985 1.00 0.00 C ATOM 0 H ALA A 46 -16.577 -17.804 2.729 1.00 0.00 H new ATOM 0 HA ALA A 46 -17.222 -16.220 4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.328 -17.685 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.435 -18.678 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.847 -18.210 4.364 1.00 0.00 H new ATOM 688 N GLU A 47 -14.234 -15.594 3.697 1.00 0.00 N ATOM 689 CA GLU A 47 -13.237 -14.569 3.668 1.00 0.00 C ATOM 690 C GLU A 47 -13.825 -13.229 3.390 1.00 0.00 C ATOM 691 O GLU A 47 -13.317 -12.261 3.954 1.00 0.00 O ATOM 692 CB GLU A 47 -12.108 -14.891 2.674 1.00 0.00 C ATOM 693 CG GLU A 47 -11.220 -16.028 3.184 1.00 0.00 C ATOM 694 CD GLU A 47 -10.436 -16.627 2.025 1.00 0.00 C ATOM 695 OE1 GLU A 47 -11.042 -17.366 1.205 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.191 -16.438 2.069 1.00 0.00 O ATOM 0 H GLU A 47 -14.139 -16.286 2.953 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.798 -14.537 4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.537 -15.167 1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.502 -14.000 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.534 -15.654 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.832 -16.796 3.657 1.00 0.00 H new ATOM 703 N LEU A 48 -14.889 -13.077 2.581 1.00 0.00 N ATOM 704 CA LEU A 48 -15.556 -11.820 2.436 1.00 0.00 C ATOM 705 C LEU A 48 -16.272 -11.420 3.680 1.00 0.00 C ATOM 706 O LEU A 48 -16.159 -10.281 4.129 1.00 0.00 O ATOM 707 CB LEU A 48 -16.606 -11.864 1.313 1.00 0.00 C ATOM 708 CG LEU A 48 -15.958 -11.844 -0.081 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.996 -12.242 -1.144 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.283 -10.505 -0.422 1.00 0.00 C ATOM 0 H LEU A 48 -15.290 -13.831 2.023 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.771 -11.100 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.212 -12.764 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -17.279 -11.013 1.412 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.152 -12.578 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.532 -12.226 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.366 -13.245 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.827 -11.537 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.847 -10.561 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.024 -9.706 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.499 -10.297 0.306 1.00 0.00 H new ATOM 722 N GLN A 49 -16.979 -12.350 4.347 1.00 0.00 N ATOM 723 CA GLN A 49 -17.622 -12.152 5.609 1.00 0.00 C ATOM 724 C GLN A 49 -16.703 -11.697 6.689 1.00 0.00 C ATOM 725 O GLN A 49 -17.121 -10.971 7.589 1.00 0.00 O ATOM 726 CB GLN A 49 -18.539 -13.341 5.942 1.00 0.00 C ATOM 727 CG GLN A 49 -19.406 -13.097 7.179 1.00 0.00 C ATOM 728 CD GLN A 49 -20.319 -14.313 7.259 1.00 0.00 C ATOM 729 OE1 GLN A 49 -21.263 -14.597 6.524 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.076 -15.077 8.358 1.00 0.00 N ATOM 0 H GLN A 49 -17.109 -13.294 3.984 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.288 -11.294 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -19.184 -13.546 5.088 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.929 -14.230 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.796 -13.000 8.077 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.981 -12.176 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.296 -14.850 8.974 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.674 -15.877 8.566 1.00 0.00 H new ATOM 739 N ASP A 50 -15.433 -12.141 6.695 1.00 0.00 N ATOM 740 CA ASP A 50 -14.337 -11.819 7.555 1.00 0.00 C ATOM 741 C ASP A 50 -13.925 -10.404 7.337 1.00 0.00 C ATOM 742 O ASP A 50 -13.672 -9.682 8.300 1.00 0.00 O ATOM 743 CB ASP A 50 -13.216 -12.873 7.540 1.00 0.00 C ATOM 744 CG ASP A 50 -13.358 -14.134 8.380 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.077 -14.019 9.408 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.921 -15.237 7.954 1.00 0.00 O ATOM 0 H ASP A 50 -15.140 -12.822 5.995 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.664 -11.873 8.593 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.075 -13.185 6.505 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.297 -12.376 7.851 1.00 0.00 H new ATOM 751 N MET A 51 -13.826 -9.958 6.072 1.00 0.00 N ATOM 752 CA MET A 51 -13.625 -8.560 5.848 1.00 0.00 C ATOM 753 C MET A 51 -14.793 -7.718 6.233 1.00 0.00 C ATOM 754 O MET A 51 -14.597 -6.728 6.935 1.00 0.00 O ATOM 755 CB MET A 51 -13.379 -8.235 4.364 1.00 0.00 C ATOM 756 CG MET A 51 -12.222 -9.002 3.722 1.00 0.00 C ATOM 757 SD MET A 51 -12.282 -8.625 1.944 1.00 0.00 S ATOM 758 CE MET A 51 -11.530 -10.225 1.531 1.00 0.00 C ATOM 0 H MET A 51 -13.882 -10.538 5.235 1.00 0.00 H new ATOM 0 HA MET A 51 -12.759 -8.332 6.470 1.00 0.00 H new ATOM 0 HB2 MET A 51 -14.291 -8.446 3.805 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.186 -7.167 4.268 1.00 0.00 H new ATOM 0 HG2 MET A 51 -11.268 -8.697 4.152 1.00 0.00 H new ATOM 0 HG3 MET A 51 -12.322 -10.073 3.896 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.326 -10.266 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.597 -10.342 2.083 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.214 -11.029 1.801 1.00 0.00 H new ATOM 768 N ILE A 52 -16.043 -8.140 5.973 1.00 0.00 N ATOM 769 CA ILE A 52 -17.230 -7.483 6.424 1.00 0.00 C ATOM 770 C ILE A 52 -17.369 -7.321 7.899 1.00 0.00 C ATOM 771 O ILE A 52 -17.859 -6.312 8.403 1.00 0.00 O ATOM 772 CB ILE A 52 -18.426 -8.105 5.766 1.00 0.00 C ATOM 773 CG1 ILE A 52 -19.066 -7.156 4.739 1.00 0.00 C ATOM 774 CG2 ILE A 52 -19.501 -8.426 6.818 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.226 -7.151 3.462 1.00 0.00 C ATOM 0 H ILE A 52 -16.235 -8.977 5.423 1.00 0.00 H new ATOM 0 HA ILE A 52 -17.148 -6.444 6.104 1.00 0.00 H new ATOM 0 HB ILE A 52 -18.077 -9.009 5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -20.084 -7.476 4.517 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.131 -6.148 5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -20.365 -8.877 6.330 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -19.095 -9.122 7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.806 -7.507 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.677 -6.479 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.216 -6.811 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.184 -8.159 3.050 1.00 0.00 H new ATOM 787 N ASN A 53 -17.028 -8.350 8.696 1.00 0.00 N ATOM 788 CA ASN A 53 -16.978 -8.266 10.122 1.00 0.00 C ATOM 789 C ASN A 53 -15.931 -7.360 10.673 1.00 0.00 C ATOM 790 O ASN A 53 -16.107 -6.767 11.736 1.00 0.00 O ATOM 791 CB ASN A 53 -16.893 -9.634 10.821 1.00 0.00 C ATOM 792 CG ASN A 53 -17.272 -9.482 12.287 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.464 -9.458 12.591 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.321 -9.689 13.238 1.00 0.00 N ATOM 0 H ASN A 53 -16.779 -9.271 8.335 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.942 -7.813 10.353 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -17.561 -10.345 10.334 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.883 -10.035 10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.594 -9.826 14.211 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.335 -9.707 12.978 1.00 0.00 H new ATOM 801 N GLU A 54 -14.750 -7.237 10.042 1.00 0.00 N ATOM 802 CA GLU A 54 -13.598 -6.440 10.328 1.00 0.00 C ATOM 803 C GLU A 54 -13.767 -4.975 10.112 1.00 0.00 C ATOM 804 O GLU A 54 -13.431 -4.147 10.957 1.00 0.00 O ATOM 805 CB GLU A 54 -12.430 -7.099 9.574 1.00 0.00 C ATOM 806 CG GLU A 54 -11.185 -6.210 9.562 1.00 0.00 C ATOM 807 CD GLU A 54 -10.038 -6.763 8.729 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.211 -6.813 7.482 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.070 -7.146 9.440 1.00 0.00 O ATOM 0 H GLU A 54 -14.585 -7.787 9.199 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.393 -6.436 11.399 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.190 -8.054 10.041 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.734 -7.312 8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.457 -5.226 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.841 -6.069 10.587 1.00 0.00 H new ATOM 816 N VAL A 55 -14.280 -4.583 8.933 1.00 0.00 N ATOM 817 CA VAL A 55 -14.665 -3.265 8.534 1.00 0.00 C ATOM 818 C VAL A 55 -15.799 -2.837 9.400 1.00 0.00 C ATOM 819 O VAL A 55 -15.735 -1.811 10.075 1.00 0.00 O ATOM 820 CB VAL A 55 -15.057 -3.100 7.096 1.00 0.00 C ATOM 821 CG1 VAL A 55 -15.614 -1.701 6.783 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.871 -3.346 6.148 1.00 0.00 C ATOM 0 H VAL A 55 -14.440 -5.259 8.186 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.775 -2.646 8.650 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.837 -3.844 6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -15.880 -1.643 5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -16.500 -1.518 7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -14.857 -0.949 7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.197 -3.217 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.075 -2.635 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.499 -4.361 6.286 1.00 0.00 H new ATOM 832 N ASP A 56 -16.969 -3.496 9.322 1.00 0.00 N ATOM 833 CA ASP A 56 -18.212 -3.066 9.885 1.00 0.00 C ATOM 834 C ASP A 56 -18.133 -3.177 11.368 1.00 0.00 C ATOM 835 O ASP A 56 -18.087 -4.278 11.914 1.00 0.00 O ATOM 836 CB ASP A 56 -19.394 -3.790 9.220 1.00 0.00 C ATOM 837 CG ASP A 56 -20.668 -3.437 9.974 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.769 -2.211 10.248 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.466 -4.352 10.310 1.00 0.00 O ATOM 0 H ASP A 56 -17.051 -4.388 8.833 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.402 -2.014 9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.479 -3.494 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.233 -4.868 9.234 1.00 0.00 H new ATOM 844 N ALA A 57 -18.245 -2.066 12.119 1.00 0.00 N ATOM 845 CA ALA A 57 -18.167 -2.053 13.547 1.00 0.00 C ATOM 846 C ALA A 57 -19.527 -2.047 14.154 1.00 0.00 C ATOM 847 O ALA A 57 -19.729 -2.146 15.364 1.00 0.00 O ATOM 848 CB ALA A 57 -17.456 -0.829 14.148 1.00 0.00 C ATOM 0 H ALA A 57 -18.396 -1.141 11.716 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.593 -2.951 13.774 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.448 -0.910 15.235 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.431 -0.786 13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.985 0.078 13.856 1.00 0.00 H new ATOM 854 N ASP A 58 -20.570 -2.105 13.307 1.00 0.00 N ATOM 855 CA ASP A 58 -21.935 -2.064 13.730 1.00 0.00 C ATOM 856 C ASP A 58 -22.488 -3.420 14.007 1.00 0.00 C ATOM 857 O ASP A 58 -23.353 -3.601 14.863 1.00 0.00 O ATOM 858 CB ASP A 58 -22.763 -1.303 12.680 1.00 0.00 C ATOM 859 CG ASP A 58 -22.255 0.121 12.508 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.735 0.660 13.522 1.00 0.00 O ATOM 861 OD2 ASP A 58 -22.329 0.628 11.357 1.00 0.00 O ATOM 0 H ASP A 58 -20.460 -2.183 12.296 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.990 -1.532 14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -22.715 -1.827 11.725 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.810 -1.285 12.982 1.00 0.00 H new ATOM 866 N GLY A 59 -21.892 -4.388 13.289 1.00 0.00 N ATOM 867 CA GLY A 59 -22.256 -5.752 13.517 1.00 0.00 C ATOM 868 C GLY A 59 -23.336 -6.311 12.656 1.00 0.00 C ATOM 869 O GLY A 59 -23.642 -7.495 12.791 1.00 0.00 O ATOM 0 H GLY A 59 -21.181 -4.236 12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.366 -6.367 13.388 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.565 -5.852 14.558 1.00 0.00 H new ATOM 873 N ASN A 60 -23.946 -5.458 11.813 1.00 0.00 N ATOM 874 CA ASN A 60 -24.936 -5.794 10.838 1.00 0.00 C ATOM 875 C ASN A 60 -24.444 -6.544 9.648 1.00 0.00 C ATOM 876 O ASN A 60 -25.085 -7.447 9.111 1.00 0.00 O ATOM 877 CB ASN A 60 -25.932 -4.698 10.422 1.00 0.00 C ATOM 878 CG ASN A 60 -26.536 -3.950 11.601 1.00 0.00 C ATOM 879 OD1 ASN A 60 -25.897 -3.061 12.163 1.00 0.00 O ATOM 880 ND2 ASN A 60 -27.830 -4.223 11.918 1.00 0.00 N ATOM 0 H ASN A 60 -23.730 -4.461 11.815 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.522 -6.487 11.442 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -25.426 -3.986 9.771 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.734 -5.149 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -28.302 -3.683 12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -28.328 -4.968 11.431 1.00 0.00 H new ATOM 887 N GLY A 61 -23.196 -6.230 9.258 1.00 0.00 N ATOM 888 CA GLY A 61 -22.482 -6.740 8.129 1.00 0.00 C ATOM 889 C GLY A 61 -22.573 -5.903 6.900 1.00 0.00 C ATOM 890 O GLY A 61 -22.298 -6.430 5.823 1.00 0.00 O ATOM 0 H GLY A 61 -22.637 -5.557 9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.432 -6.849 8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.857 -7.738 7.900 1.00 0.00 H new ATOM 894 N THR A 62 -23.151 -4.690 6.958 1.00 0.00 N ATOM 895 CA THR A 62 -23.316 -3.766 5.879 1.00 0.00 C ATOM 896 C THR A 62 -22.324 -2.675 6.092 1.00 0.00 C ATOM 897 O THR A 62 -22.240 -1.967 7.094 1.00 0.00 O ATOM 898 CB THR A 62 -24.710 -3.227 5.758 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.141 -2.559 6.934 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.751 -4.292 5.372 1.00 0.00 C ATOM 0 H THR A 62 -23.534 -4.328 7.831 1.00 0.00 H new ATOM 0 HA THR A 62 -23.144 -4.282 4.934 1.00 0.00 H new ATOM 0 HB THR A 62 -24.647 -2.507 4.942 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.053 -2.225 6.805 1.00 0.00 H new ATOM 0 HG21 THR A 62 -26.736 -3.830 5.303 1.00 0.00 H new ATOM 0 HG22 THR A 62 -25.486 -4.727 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.770 -5.074 6.131 1.00 0.00 H new ATOM 908 N ILE A 63 -21.536 -2.369 5.046 1.00 0.00 N ATOM 909 CA ILE A 63 -20.601 -1.297 4.892 1.00 0.00 C ATOM 910 C ILE A 63 -21.303 -0.120 4.307 1.00 0.00 C ATOM 911 O ILE A 63 -21.916 -0.235 3.247 1.00 0.00 O ATOM 912 CB ILE A 63 -19.379 -1.656 4.100 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.782 -3.003 4.541 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.406 -0.466 4.148 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.587 -3.437 3.693 1.00 0.00 C ATOM 0 H ILE A 63 -21.560 -2.947 4.206 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.223 -1.054 5.885 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.634 -1.826 3.054 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.473 -2.932 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.554 -3.770 4.489 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.509 -0.706 3.577 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.885 0.413 3.718 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.133 -0.261 5.183 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.212 -4.394 4.055 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.897 -3.539 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.798 -2.688 3.765 1.00 0.00 H new ATOM 927 N ASP A 64 -21.271 1.023 5.016 1.00 0.00 N ATOM 928 CA ASP A 64 -22.036 2.187 4.691 1.00 0.00 C ATOM 929 C ASP A 64 -21.140 3.301 4.272 1.00 0.00 C ATOM 930 O ASP A 64 -19.931 3.111 4.153 1.00 0.00 O ATOM 931 CB ASP A 64 -22.881 2.693 5.873 1.00 0.00 C ATOM 932 CG ASP A 64 -22.237 2.612 7.250 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.397 1.563 7.928 1.00 0.00 O ATOM 934 OD2 ASP A 64 -21.631 3.620 7.702 1.00 0.00 O ATOM 0 H ASP A 64 -20.691 1.141 5.847 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.702 1.889 3.881 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.148 3.732 5.682 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.810 2.124 5.897 1.00 0.00 H new ATOM 939 N PHE A 65 -21.687 4.470 3.895 1.00 0.00 N ATOM 940 CA PHE A 65 -21.017 5.613 3.356 1.00 0.00 C ATOM 941 C PHE A 65 -19.863 6.095 4.167 1.00 0.00 C ATOM 942 O PHE A 65 -18.806 6.206 3.548 1.00 0.00 O ATOM 943 CB PHE A 65 -22.084 6.658 2.989 1.00 0.00 C ATOM 944 CG PHE A 65 -21.411 7.756 2.239 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.773 7.563 1.036 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.261 8.984 2.839 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.130 8.559 0.340 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.525 9.964 2.215 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.900 9.737 1.011 1.00 0.00 C ATOM 0 H PHE A 65 -22.691 4.628 3.976 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.495 5.339 2.439 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.868 6.206 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.562 7.047 3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.777 6.569 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.720 9.178 3.797 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.820 8.423 -0.686 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.436 10.934 2.681 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.234 10.478 0.596 1.00 0.00 H new ATOM 959 N PRO A 66 -19.868 6.488 5.406 1.00 0.00 N ATOM 960 CA PRO A 66 -18.698 7.056 6.009 1.00 0.00 C ATOM 961 C PRO A 66 -17.713 6.058 6.512 1.00 0.00 C ATOM 962 O PRO A 66 -16.558 6.378 6.788 1.00 0.00 O ATOM 963 CB PRO A 66 -19.255 7.798 7.222 1.00 0.00 C ATOM 964 CG PRO A 66 -20.460 6.944 7.648 1.00 0.00 C ATOM 965 CD PRO A 66 -21.037 6.605 6.265 1.00 0.00 C ATOM 0 HA PRO A 66 -18.161 7.656 5.274 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.516 7.874 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.554 8.815 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.166 6.056 8.208 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.164 7.495 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -21.608 5.677 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -21.712 7.385 5.914 1.00 0.00 H new ATOM 973 N GLU A 67 -18.098 4.772 6.439 1.00 0.00 N ATOM 974 CA GLU A 67 -17.304 3.602 6.657 1.00 0.00 C ATOM 975 C GLU A 67 -16.535 3.190 5.449 1.00 0.00 C ATOM 976 O GLU A 67 -15.393 2.743 5.546 1.00 0.00 O ATOM 977 CB GLU A 67 -18.248 2.498 7.161 1.00 0.00 C ATOM 978 CG GLU A 67 -17.743 1.518 8.223 1.00 0.00 C ATOM 979 CD GLU A 67 -18.918 0.683 8.711 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.342 -0.305 8.055 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.537 1.074 9.736 1.00 0.00 O ATOM 0 H GLU A 67 -19.061 4.530 6.204 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.537 3.810 7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.139 2.983 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.562 1.913 6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.969 0.874 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.293 2.060 9.055 1.00 0.00 H new ATOM 988 N PHE A 68 -17.078 3.266 4.221 1.00 0.00 N ATOM 989 CA PHE A 68 -16.525 3.222 2.903 1.00 0.00 C ATOM 990 C PHE A 68 -15.545 4.313 2.637 1.00 0.00 C ATOM 991 O PHE A 68 -14.493 4.100 2.037 1.00 0.00 O ATOM 992 CB PHE A 68 -17.611 3.284 1.816 1.00 0.00 C ATOM 993 CG PHE A 68 -17.134 3.202 0.407 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.772 2.004 -0.161 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.220 4.373 -0.308 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.505 2.081 -1.508 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.840 4.433 -1.628 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.520 3.244 -2.240 1.00 0.00 C ATOM 0 H PHE A 68 -18.089 3.379 4.151 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.006 2.265 2.860 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.315 2.470 1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.165 4.215 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.703 1.084 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.593 5.263 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.267 1.164 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.795 5.372 -2.160 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.281 3.224 -3.293 1.00 0.00 H new ATOM 1008 N LEU A 69 -15.905 5.572 2.943 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.158 6.770 2.717 1.00 0.00 C ATOM 1010 C LEU A 69 -13.815 6.812 3.363 1.00 0.00 C ATOM 1011 O LEU A 69 -12.784 7.072 2.744 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.061 7.952 3.107 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.566 9.397 2.929 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.811 10.296 2.842 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.644 10.009 3.998 1.00 0.00 C ATOM 0 H LEU A 69 -16.801 5.767 3.389 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.897 6.821 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.985 7.855 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.321 7.827 4.158 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.938 9.347 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.502 11.334 2.715 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.421 9.992 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.394 10.200 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.390 11.031 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.156 10.013 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.732 9.417 4.074 1.00 0.00 H new ATOM 1027 N THR A 70 -13.708 6.356 4.624 1.00 0.00 N ATOM 1028 CA THR A 70 -12.501 6.360 5.391 1.00 0.00 C ATOM 1029 C THR A 70 -11.506 5.379 4.872 1.00 0.00 C ATOM 1030 O THR A 70 -10.288 5.554 4.884 1.00 0.00 O ATOM 1031 CB THR A 70 -12.651 6.327 6.883 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.569 5.269 7.117 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.255 7.666 7.338 1.00 0.00 C ATOM 0 H THR A 70 -14.501 5.966 5.133 1.00 0.00 H new ATOM 0 HA THR A 70 -12.096 7.359 5.230 1.00 0.00 H new ATOM 0 HB THR A 70 -11.712 6.179 7.417 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.485 5.617 7.082 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.372 7.663 8.422 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.593 8.481 7.047 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.229 7.804 6.868 1.00 0.00 H new ATOM 1041 N MET A 71 -12.055 4.253 4.383 1.00 0.00 N ATOM 1042 CA MET A 71 -11.212 3.213 3.879 1.00 0.00 C ATOM 1043 C MET A 71 -10.738 3.517 2.499 1.00 0.00 C ATOM 1044 O MET A 71 -9.599 3.242 2.124 1.00 0.00 O ATOM 1045 CB MET A 71 -11.753 1.781 4.019 1.00 0.00 C ATOM 1046 CG MET A 71 -13.035 1.486 3.236 1.00 0.00 C ATOM 1047 SD MET A 71 -13.921 0.003 3.803 1.00 0.00 S ATOM 1048 CE MET A 71 -12.731 -1.268 3.285 1.00 0.00 C ATOM 0 H MET A 71 -13.056 4.064 4.336 1.00 0.00 H new ATOM 0 HA MET A 71 -10.350 3.214 4.546 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.980 1.085 3.694 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.938 1.582 5.075 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.701 2.346 3.311 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.786 1.367 2.182 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.234 -2.233 3.220 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.321 -1.006 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.923 -1.329 4.014 1.00 0.00 H new ATOM 1058 N MET A 72 -11.468 4.234 1.627 1.00 0.00 N ATOM 1059 CA MET A 72 -11.155 4.805 0.354 1.00 0.00 C ATOM 1060 C MET A 72 -10.396 6.087 0.392 1.00 0.00 C ATOM 1061 O MET A 72 -9.655 6.311 -0.564 1.00 0.00 O ATOM 1062 CB MET A 72 -12.423 4.981 -0.498 1.00 0.00 C ATOM 1063 CG MET A 72 -12.796 3.661 -1.177 1.00 0.00 C ATOM 1064 SD MET A 72 -11.719 3.011 -2.490 1.00 0.00 S ATOM 1065 CE MET A 72 -12.611 1.430 -2.526 1.00 0.00 C ATOM 0 H MET A 72 -12.438 4.443 1.862 1.00 0.00 H new ATOM 0 HA MET A 72 -10.481 4.080 -0.102 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.247 5.320 0.130 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.259 5.751 -1.251 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.865 2.899 -0.400 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.795 3.778 -1.598 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.186 0.790 -3.299 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.520 0.939 -1.557 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.664 1.611 -2.743 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.445 6.934 1.435 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.550 8.024 1.672 1.00 0.00 C ATOM 1077 C ALA A 73 -8.143 7.586 1.896 1.00 0.00 C ATOM 1078 O ALA A 73 -7.227 8.344 2.209 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.092 8.927 2.792 1.00 0.00 C ATOM 0 H ALA A 73 -11.157 6.851 2.160 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.506 8.622 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.400 9.752 2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.065 9.323 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.196 8.347 3.709 1.00 0.00 H new ATOM 1234 N GLU A 83 2.158 13.150 9.648 1.00 0.00 N ATOM 1235 CA GLU A 83 3.436 12.995 10.271 1.00 0.00 C ATOM 1236 C GLU A 83 3.454 12.563 11.697 1.00 0.00 C ATOM 1237 O GLU A 83 4.420 12.023 12.235 1.00 0.00 O ATOM 1238 CB GLU A 83 4.307 14.259 10.167 1.00 0.00 C ATOM 1239 CG GLU A 83 4.455 14.774 8.734 1.00 0.00 C ATOM 1240 CD GLU A 83 5.664 14.203 8.008 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.755 12.967 7.781 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.608 14.981 7.706 1.00 0.00 O ATOM 0 HA GLU A 83 3.843 12.170 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.871 15.044 10.785 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.296 14.045 10.573 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.554 14.528 8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.532 15.861 8.753 1.00 0.00 H new ATOM 1249 N GLU A 84 2.333 12.654 12.436 1.00 0.00 N ATOM 1250 CA GLU A 84 2.045 12.102 13.723 1.00 0.00 C ATOM 1251 C GLU A 84 1.783 10.639 13.611 1.00 0.00 C ATOM 1252 O GLU A 84 2.047 9.898 14.557 1.00 0.00 O ATOM 1253 CB GLU A 84 0.920 12.923 14.375 1.00 0.00 C ATOM 1254 CG GLU A 84 1.454 14.327 14.668 1.00 0.00 C ATOM 1255 CD GLU A 84 0.420 15.037 15.530 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -0.711 15.343 15.065 1.00 0.00 O ATOM 1257 OE2 GLU A 84 0.689 15.238 16.745 1.00 0.00 O ATOM 0 H GLU A 84 1.534 13.180 12.083 1.00 0.00 H new ATOM 0 HA GLU A 84 2.902 12.177 14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.056 12.976 13.712 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.586 12.445 15.296 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.412 14.273 15.185 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.622 14.875 13.741 1.00 0.00 H new ATOM 1264 N ILE A 85 1.211 10.188 12.481 1.00 0.00 N ATOM 1265 CA ILE A 85 0.965 8.830 12.103 1.00 0.00 C ATOM 1266 C ILE A 85 2.210 8.132 11.675 1.00 0.00 C ATOM 1267 O ILE A 85 2.495 7.030 12.140 1.00 0.00 O ATOM 1268 CB ILE A 85 -0.128 8.686 11.087 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -1.555 9.108 11.476 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -0.161 7.205 10.673 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -2.230 8.308 12.589 1.00 0.00 C ATOM 0 H ILE A 85 0.890 10.838 11.764 1.00 0.00 H new ATOM 0 HA ILE A 85 0.607 8.335 13.005 1.00 0.00 H new ATOM 0 HB ILE A 85 0.134 9.392 10.299 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.529 10.155 11.778 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.182 9.048 10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.945 7.052 9.931 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.802 6.925 10.246 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.363 6.587 11.548 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.229 8.705 12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.303 7.262 12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.640 8.386 13.502 1.00 0.00 H new ATOM 1283 N ARG A 86 3.048 8.783 10.848 1.00 0.00 N ATOM 1284 CA ARG A 86 4.376 8.327 10.582 1.00 0.00 C ATOM 1285 C ARG A 86 5.270 8.250 11.772 1.00 0.00 C ATOM 1286 O ARG A 86 5.906 7.213 11.950 1.00 0.00 O ATOM 1287 CB ARG A 86 5.006 9.148 9.444 1.00 0.00 C ATOM 1288 CG ARG A 86 4.376 8.853 8.081 1.00 0.00 C ATOM 1289 CD ARG A 86 4.912 9.736 6.953 1.00 0.00 C ATOM 1290 NE ARG A 86 6.214 9.167 6.505 1.00 0.00 N ATOM 1291 CZ ARG A 86 7.276 9.947 6.146 1.00 0.00 C ATOM 1292 NH1 ARG A 86 7.271 11.274 6.464 1.00 0.00 N ATOM 1293 NH2 ARG A 86 8.277 9.301 5.479 1.00 0.00 N ATOM 0 H ARG A 86 2.798 9.641 10.356 1.00 0.00 H new ATOM 0 HA ARG A 86 4.272 7.289 10.265 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.900 10.210 9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.074 8.937 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.552 7.808 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.297 8.986 8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.204 9.768 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.043 10.761 7.300 1.00 0.00 H new ATOM 0 HE ARG A 86 6.316 8.153 6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.479 11.675 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 86 8.060 11.865 6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.198 8.303 5.282 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.104 9.816 5.177 1.00 0.00 H new ATOM 1307 N GLU A 87 5.204 9.211 12.711 1.00 0.00 N ATOM 1308 CA GLU A 87 5.897 9.071 13.954 1.00 0.00 C ATOM 1309 C GLU A 87 5.296 8.029 14.834 1.00 0.00 C ATOM 1310 O GLU A 87 6.035 7.304 15.498 1.00 0.00 O ATOM 1311 CB GLU A 87 6.016 10.437 14.652 1.00 0.00 C ATOM 1312 CG GLU A 87 7.107 10.547 15.719 1.00 0.00 C ATOM 1313 CD GLU A 87 7.315 11.939 16.299 1.00 0.00 C ATOM 1314 OE1 GLU A 87 7.449 12.935 15.540 1.00 0.00 O ATOM 1315 OE2 GLU A 87 7.294 12.077 17.552 1.00 0.00 O ATOM 0 H GLU A 87 4.676 10.078 12.611 1.00 0.00 H new ATOM 0 HA GLU A 87 6.904 8.715 13.737 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.199 11.197 13.893 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.057 10.672 15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.865 9.865 16.534 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.049 10.207 15.288 1.00 0.00 H new ATOM 1322 N ALA A 88 3.991 7.719 14.745 1.00 0.00 N ATOM 1323 CA ALA A 88 3.546 6.623 15.548 1.00 0.00 C ATOM 1324 C ALA A 88 4.078 5.314 15.075 1.00 0.00 C ATOM 1325 O ALA A 88 4.455 4.458 15.874 1.00 0.00 O ATOM 1326 CB ALA A 88 2.020 6.608 15.737 1.00 0.00 C ATOM 0 H ALA A 88 3.291 8.184 14.166 1.00 0.00 H new ATOM 0 HA ALA A 88 3.971 6.782 16.539 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.738 5.755 16.354 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.705 7.530 16.226 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.534 6.529 14.765 1.00 0.00 H new ATOM 1332 N PHE A 89 4.069 5.038 13.759 1.00 0.00 N ATOM 1333 CA PHE A 89 4.660 3.943 13.054 1.00 0.00 C ATOM 1334 C PHE A 89 6.079 3.774 13.477 1.00 0.00 C ATOM 1335 O PHE A 89 6.589 2.692 13.765 1.00 0.00 O ATOM 1336 CB PHE A 89 4.526 4.109 11.531 1.00 0.00 C ATOM 1337 CG PHE A 89 4.885 2.848 10.823 1.00 0.00 C ATOM 1338 CD1 PHE A 89 6.191 2.526 10.537 1.00 0.00 C ATOM 1339 CD2 PHE A 89 3.884 1.940 10.573 1.00 0.00 C ATOM 1340 CE1 PHE A 89 6.483 1.291 10.008 1.00 0.00 C ATOM 1341 CE2 PHE A 89 4.179 0.709 10.037 1.00 0.00 C ATOM 1342 CZ PHE A 89 5.475 0.416 9.680 1.00 0.00 C ATOM 0 H PHE A 89 3.586 5.663 13.113 1.00 0.00 H new ATOM 0 HA PHE A 89 4.119 3.032 13.310 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.504 4.392 11.281 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.173 4.918 11.191 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.981 3.238 10.726 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.859 2.195 10.799 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.513 1.006 9.849 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.398 -0.024 9.897 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.699 -0.495 9.146 1.00 0.00 H new ATOM 1352 N ARG A 90 6.845 4.871 13.612 1.00 0.00 N ATOM 1353 CA ARG A 90 8.260 4.897 13.813 1.00 0.00 C ATOM 1354 C ARG A 90 8.748 4.700 15.207 1.00 0.00 C ATOM 1355 O ARG A 90 9.784 4.074 15.426 1.00 0.00 O ATOM 1356 CB ARG A 90 8.774 6.234 13.252 1.00 0.00 C ATOM 1357 CG ARG A 90 10.263 6.586 13.273 1.00 0.00 C ATOM 1358 CD ARG A 90 11.160 5.562 12.575 1.00 0.00 C ATOM 1359 NE ARG A 90 12.508 6.175 12.738 1.00 0.00 N ATOM 1360 CZ ARG A 90 13.592 5.920 11.949 1.00 0.00 C ATOM 1361 NH1 ARG A 90 13.599 4.990 10.950 1.00 0.00 N ATOM 1362 NH2 ARG A 90 14.675 6.735 12.120 1.00 0.00 N ATOM 0 H ARG A 90 6.444 5.808 13.578 1.00 0.00 H new ATOM 0 HA ARG A 90 8.658 4.026 13.292 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.449 6.288 12.213 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.253 7.026 13.790 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.402 7.557 12.798 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.586 6.689 14.309 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.099 4.579 13.042 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.894 5.433 11.526 1.00 0.00 H new ATOM 0 HE ARG A 90 12.631 6.840 13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.762 4.440 10.760 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.442 4.845 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.644 7.486 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 90 15.514 6.592 11.558 1.00 0.00 H new ATOM 1376 N VAL A 91 7.831 5.100 16.107 1.00 0.00 N ATOM 1377 CA VAL A 91 7.856 4.653 17.465 1.00 0.00 C ATOM 1378 C VAL A 91 7.911 3.179 17.678 1.00 0.00 C ATOM 1379 O VAL A 91 8.449 2.734 18.690 1.00 0.00 O ATOM 1380 CB VAL A 91 6.732 5.354 18.169 1.00 0.00 C ATOM 1381 CG1 VAL A 91 6.085 4.688 19.395 1.00 0.00 C ATOM 1382 CG2 VAL A 91 7.268 6.725 18.614 1.00 0.00 C ATOM 0 H VAL A 91 7.066 5.739 15.891 1.00 0.00 H new ATOM 0 HA VAL A 91 8.813 4.927 17.908 1.00 0.00 H new ATOM 0 HB VAL A 91 5.927 5.365 17.435 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.292 5.328 19.780 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.666 3.724 19.107 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.839 4.539 20.168 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.481 7.272 19.133 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.115 6.584 19.285 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.588 7.292 17.740 1.00 0.00 H new ATOM 1392 N PHE A 92 7.209 2.408 16.828 1.00 0.00 N ATOM 1393 CA PHE A 92 7.182 0.979 16.866 1.00 0.00 C ATOM 1394 C PHE A 92 8.351 0.361 16.179 1.00 0.00 C ATOM 1395 O PHE A 92 8.918 -0.593 16.710 1.00 0.00 O ATOM 1396 CB PHE A 92 5.947 0.337 16.213 1.00 0.00 C ATOM 1397 CG PHE A 92 4.770 0.522 17.108 1.00 0.00 C ATOM 1398 CD1 PHE A 92 4.741 -0.041 18.362 1.00 0.00 C ATOM 1399 CD2 PHE A 92 3.811 1.459 16.803 1.00 0.00 C ATOM 1400 CE1 PHE A 92 3.722 0.251 19.237 1.00 0.00 C ATOM 1401 CE2 PHE A 92 2.687 1.585 17.585 1.00 0.00 C ATOM 1402 CZ PHE A 92 2.649 1.011 18.834 1.00 0.00 C ATOM 0 H PHE A 92 6.635 2.799 16.081 1.00 0.00 H new ATOM 0 HA PHE A 92 7.182 0.783 17.938 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.756 0.793 15.241 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.123 -0.724 16.038 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.526 -0.719 18.662 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.941 2.100 15.944 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.764 -0.120 20.250 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.833 2.135 17.218 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.797 1.154 19.483 1.00 0.00 H new ATOM 1412 N ASP A 93 8.741 0.883 15.002 1.00 0.00 N ATOM 1413 CA ASP A 93 9.883 0.366 14.316 1.00 0.00 C ATOM 1414 C ASP A 93 11.204 0.812 14.842 1.00 0.00 C ATOM 1415 O ASP A 93 11.486 2.007 14.914 1.00 0.00 O ATOM 1416 CB ASP A 93 9.750 0.702 12.821 1.00 0.00 C ATOM 1417 CG ASP A 93 10.758 -0.089 12.001 1.00 0.00 C ATOM 1418 OD1 ASP A 93 10.650 -1.340 11.891 1.00 0.00 O ATOM 1419 OD2 ASP A 93 11.720 0.518 11.459 1.00 0.00 O ATOM 0 H ASP A 93 8.271 1.655 14.530 1.00 0.00 H new ATOM 0 HA ASP A 93 9.882 -0.711 14.486 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.739 0.476 12.481 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.907 1.770 12.668 1.00 0.00 H new ATOM 1424 N LYS A 94 12.001 -0.209 15.207 1.00 0.00 N ATOM 1425 CA LYS A 94 13.266 -0.002 15.841 1.00 0.00 C ATOM 1426 C LYS A 94 14.434 -0.208 14.940 1.00 0.00 C ATOM 1427 O LYS A 94 15.341 0.619 14.859 1.00 0.00 O ATOM 1428 CB LYS A 94 13.262 -0.980 17.029 1.00 0.00 C ATOM 1429 CG LYS A 94 14.577 -1.086 17.804 1.00 0.00 C ATOM 1430 CD LYS A 94 14.422 -1.411 19.291 1.00 0.00 C ATOM 1431 CE LYS A 94 14.152 -2.881 19.620 1.00 0.00 C ATOM 1432 NZ LYS A 94 14.367 -3.237 21.041 1.00 0.00 N ATOM 0 H LYS A 94 11.764 -1.190 15.060 1.00 0.00 H new ATOM 0 HA LYS A 94 13.382 1.036 16.153 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.476 -0.678 17.722 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.998 -1.971 16.660 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.194 -1.856 17.341 1.00 0.00 H new ATOM 0 HG3 LYS A 94 15.116 -0.144 17.707 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.330 -1.102 19.809 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.606 -0.811 19.693 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.123 -3.119 19.350 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.796 -3.504 19.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.631 -3.905 21.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 15.302 -3.678 21.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.319 -2.378 21.625 1.00 0.00 H new ATOM 1446 N ASP A 95 14.385 -1.313 14.175 1.00 0.00 N ATOM 1447 CA ASP A 95 15.496 -1.774 13.402 1.00 0.00 C ATOM 1448 C ASP A 95 15.817 -0.952 12.202 1.00 0.00 C ATOM 1449 O ASP A 95 16.980 -0.907 11.803 1.00 0.00 O ATOM 1450 CB ASP A 95 15.387 -3.265 13.037 1.00 0.00 C ATOM 1451 CG ASP A 95 14.111 -3.602 12.279 1.00 0.00 C ATOM 1452 OD1 ASP A 95 13.512 -2.759 11.559 1.00 0.00 O ATOM 1453 OD2 ASP A 95 13.489 -4.685 12.446 1.00 0.00 O ATOM 0 H ASP A 95 13.555 -1.899 14.092 1.00 0.00 H new ATOM 0 HA ASP A 95 16.344 -1.647 14.075 1.00 0.00 H new ATOM 0 HB2 ASP A 95 16.248 -3.549 12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.429 -3.860 13.949 1.00 0.00 H new ATOM 1458 N GLY A 96 14.876 -0.147 11.677 1.00 0.00 N ATOM 1459 CA GLY A 96 15.013 0.703 10.535 1.00 0.00 C ATOM 1460 C GLY A 96 14.596 0.111 9.233 1.00 0.00 C ATOM 1461 O GLY A 96 14.940 0.663 8.189 1.00 0.00 O ATOM 0 H GLY A 96 13.944 -0.087 12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.428 1.607 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 96 16.056 1.009 10.456 1.00 0.00 H new ATOM 1465 N ASN A 97 14.033 -1.110 9.186 1.00 0.00 N ATOM 1466 CA ASN A 97 13.574 -1.741 7.988 1.00 0.00 C ATOM 1467 C ASN A 97 12.325 -1.113 7.472 1.00 0.00 C ATOM 1468 O ASN A 97 12.181 -1.012 6.255 1.00 0.00 O ATOM 1469 CB ASN A 97 13.584 -3.270 8.149 1.00 0.00 C ATOM 1470 CG ASN A 97 12.386 -3.962 8.784 1.00 0.00 C ATOM 1471 OD1 ASN A 97 11.529 -3.333 9.403 1.00 0.00 O ATOM 1472 ND2 ASN A 97 12.304 -5.311 8.634 1.00 0.00 N ATOM 0 H ASN A 97 13.892 -1.682 10.019 1.00 0.00 H new ATOM 0 HA ASN A 97 14.273 -1.561 7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.724 -3.702 7.158 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.463 -3.531 8.738 1.00 0.00 H new ATOM 0 HD21 ASN A 97 11.520 -5.822 9.039 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.027 -5.811 8.116 1.00 0.00 H new ATOM 1479 N GLY A 98 11.495 -0.599 8.397 1.00 0.00 N ATOM 1480 CA GLY A 98 10.271 0.111 8.193 1.00 0.00 C ATOM 1481 C GLY A 98 9.024 -0.703 8.138 1.00 0.00 C ATOM 1482 O GLY A 98 8.048 -0.285 7.517 1.00 0.00 O ATOM 0 H GLY A 98 11.706 -0.692 9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.165 0.842 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.354 0.670 7.261 1.00 0.00 H new ATOM 1486 N TYR A 99 9.049 -1.840 8.856 1.00 0.00 N ATOM 1487 CA TYR A 99 7.970 -2.766 9.005 1.00 0.00 C ATOM 1488 C TYR A 99 8.001 -3.249 10.414 1.00 0.00 C ATOM 1489 O TYR A 99 8.995 -3.695 10.985 1.00 0.00 O ATOM 1490 CB TYR A 99 8.184 -3.994 8.104 1.00 0.00 C ATOM 1491 CG TYR A 99 8.138 -3.547 6.683 1.00 0.00 C ATOM 1492 CD1 TYR A 99 6.886 -3.502 6.116 1.00 0.00 C ATOM 1493 CD2 TYR A 99 9.243 -3.346 5.889 1.00 0.00 C ATOM 1494 CE1 TYR A 99 6.836 -3.218 4.771 1.00 0.00 C ATOM 1495 CE2 TYR A 99 9.165 -3.029 4.554 1.00 0.00 C ATOM 1496 CZ TYR A 99 7.920 -2.908 3.984 1.00 0.00 C ATOM 1497 OH TYR A 99 7.851 -2.500 2.635 1.00 0.00 O ATOM 0 H TYR A 99 9.882 -2.131 9.368 1.00 0.00 H new ATOM 0 HA TYR A 99 7.031 -2.279 8.742 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.143 -4.463 8.323 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.413 -4.741 8.292 1.00 0.00 H new ATOM 0 HD1 TYR A 99 5.992 -3.680 6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.221 -3.442 6.337 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.867 -3.240 4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 99 10.059 -2.879 3.968 1.00 0.00 H new ATOM 0 HH TYR A 99 8.756 -2.337 2.296 1.00 0.00 H new ATOM 1507 N ILE A 100 6.841 -3.211 11.093 1.00 0.00 N ATOM 1508 CA ILE A 100 6.734 -3.620 12.459 1.00 0.00 C ATOM 1509 C ILE A 100 6.586 -5.086 12.678 1.00 0.00 C ATOM 1510 O ILE A 100 5.694 -5.723 12.120 1.00 0.00 O ATOM 1511 CB ILE A 100 5.684 -2.956 13.300 1.00 0.00 C ATOM 1512 CG1 ILE A 100 5.728 -1.425 13.155 1.00 0.00 C ATOM 1513 CG2 ILE A 100 5.528 -3.507 14.727 1.00 0.00 C ATOM 1514 CD1 ILE A 100 4.393 -0.690 13.273 1.00 0.00 C ATOM 0 H ILE A 100 5.962 -2.891 10.687 1.00 0.00 H new ATOM 0 HA ILE A 100 7.712 -3.275 12.794 1.00 0.00 H new ATOM 0 HB ILE A 100 4.723 -3.254 12.881 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.403 -1.030 13.914 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.164 -1.187 12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.743 -2.956 15.246 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.261 -4.563 14.682 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.469 -3.393 15.266 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.556 0.381 13.153 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.714 -1.043 12.497 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.957 -0.883 14.253 1.00 0.00 H new ATOM 1526 N SER A 101 7.478 -5.777 13.411 1.00 0.00 N ATOM 1527 CA SER A 101 7.491 -7.158 13.783 1.00 0.00 C ATOM 1528 C SER A 101 7.007 -7.280 15.187 1.00 0.00 C ATOM 1529 O SER A 101 7.037 -6.382 16.027 1.00 0.00 O ATOM 1530 CB SER A 101 8.905 -7.748 13.650 1.00 0.00 C ATOM 1531 OG SER A 101 9.790 -7.073 14.532 1.00 0.00 O ATOM 0 H SER A 101 8.296 -5.299 13.790 1.00 0.00 H new ATOM 0 HA SER A 101 6.835 -7.718 13.116 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.888 -8.813 13.881 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.255 -7.650 12.622 1.00 0.00 H new ATOM 0 HG SER A 101 10.048 -6.212 14.141 1.00 0.00 H new ATOM 1537 N ALA A 102 6.607 -8.506 15.567 1.00 0.00 N ATOM 1538 CA ALA A 102 6.134 -8.914 16.853 1.00 0.00 C ATOM 1539 C ALA A 102 6.936 -8.516 18.044 1.00 0.00 C ATOM 1540 O ALA A 102 6.420 -8.045 19.057 1.00 0.00 O ATOM 1541 CB ALA A 102 5.696 -10.389 16.860 1.00 0.00 C ATOM 0 H ALA A 102 6.617 -9.285 14.909 1.00 0.00 H new ATOM 0 HA ALA A 102 5.247 -8.298 16.998 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.343 -10.659 17.855 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.892 -10.533 16.139 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.542 -11.021 16.591 1.00 0.00 H new ATOM 1547 N ALA A 103 8.273 -8.599 17.929 1.00 0.00 N ATOM 1548 CA ALA A 103 9.125 -8.155 18.988 1.00 0.00 C ATOM 1549 C ALA A 103 9.158 -6.680 19.192 1.00 0.00 C ATOM 1550 O ALA A 103 9.306 -6.248 20.334 1.00 0.00 O ATOM 1551 CB ALA A 103 10.564 -8.613 18.693 1.00 0.00 C ATOM 0 H ALA A 103 8.760 -8.969 17.113 1.00 0.00 H new ATOM 0 HA ALA A 103 8.712 -8.592 19.897 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.223 -8.280 19.494 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.593 -9.701 18.627 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.896 -8.183 17.748 1.00 0.00 H new ATOM 1557 N GLU A 104 9.132 -5.868 18.119 1.00 0.00 N ATOM 1558 CA GLU A 104 9.075 -4.443 18.218 1.00 0.00 C ATOM 1559 C GLU A 104 7.819 -3.987 18.878 1.00 0.00 C ATOM 1560 O GLU A 104 7.767 -3.007 19.619 1.00 0.00 O ATOM 1561 CB GLU A 104 9.192 -3.852 16.803 1.00 0.00 C ATOM 1562 CG GLU A 104 10.635 -4.024 16.323 1.00 0.00 C ATOM 1563 CD GLU A 104 10.789 -3.771 14.830 1.00 0.00 C ATOM 1564 OE1 GLU A 104 10.141 -4.483 14.017 1.00 0.00 O ATOM 1565 OE2 GLU A 104 11.742 -3.039 14.451 1.00 0.00 O ATOM 0 H GLU A 104 9.151 -6.212 17.159 1.00 0.00 H new ATOM 0 HA GLU A 104 9.901 -4.095 18.839 1.00 0.00 H new ATOM 0 HB2 GLU A 104 8.504 -4.356 16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.918 -2.797 16.809 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.281 -3.339 16.872 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.973 -5.034 16.553 1.00 0.00 H new ATOM 1572 N LEU A 105 6.645 -4.595 18.632 1.00 0.00 N ATOM 1573 CA LEU A 105 5.454 -4.273 19.356 1.00 0.00 C ATOM 1574 C LEU A 105 5.577 -4.686 20.782 1.00 0.00 C ATOM 1575 O LEU A 105 5.283 -3.925 21.702 1.00 0.00 O ATOM 1576 CB LEU A 105 4.145 -4.880 18.824 1.00 0.00 C ATOM 1577 CG LEU A 105 2.908 -4.389 19.596 1.00 0.00 C ATOM 1578 CD1 LEU A 105 1.988 -3.665 18.598 1.00 0.00 C ATOM 1579 CD2 LEU A 105 2.199 -5.607 20.211 1.00 0.00 C ATOM 0 H LEU A 105 6.520 -5.318 17.923 1.00 0.00 H new ATOM 0 HA LEU A 105 5.377 -3.193 19.229 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.034 -4.628 17.769 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.201 -5.967 18.888 1.00 0.00 H new ATOM 0 HG LEU A 105 3.181 -3.704 20.399 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.100 -3.305 19.117 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.520 -2.821 18.160 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.691 -4.356 17.809 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.319 -5.276 20.762 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.894 -6.290 19.418 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.880 -6.120 20.890 1.00 0.00 H new ATOM 1591 N ARG A 106 6.200 -5.841 21.077 1.00 0.00 N ATOM 1592 CA ARG A 106 6.444 -6.226 22.432 1.00 0.00 C ATOM 1593 C ARG A 106 7.352 -5.431 23.305 1.00 0.00 C ATOM 1594 O ARG A 106 6.987 -5.116 24.437 1.00 0.00 O ATOM 1595 CB ARG A 106 6.963 -7.674 22.416 1.00 0.00 C ATOM 1596 CG ARG A 106 6.853 -8.313 23.802 1.00 0.00 C ATOM 1597 CD ARG A 106 7.606 -9.636 23.949 1.00 0.00 C ATOM 1598 NE ARG A 106 7.026 -10.392 25.094 1.00 0.00 N ATOM 1599 CZ ARG A 106 7.404 -10.248 26.397 1.00 0.00 C ATOM 1600 NH1 ARG A 106 8.221 -9.225 26.783 1.00 0.00 N ATOM 1601 NH2 ARG A 106 6.895 -11.027 27.395 1.00 0.00 N ATOM 0 H ARG A 106 6.534 -6.506 20.380 1.00 0.00 H new ATOM 0 HA ARG A 106 5.474 -6.053 22.897 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.393 -8.260 21.695 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.002 -7.688 22.087 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.231 -7.610 24.544 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.800 -8.481 24.029 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.526 -10.220 23.032 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.667 -9.450 24.118 1.00 0.00 H new ATOM 0 HE ARG A 106 6.291 -11.068 24.888 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.558 -8.554 26.093 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.494 -9.132 27.761 1.00 0.00 H new ATOM 0 HH21 ARG A 106 6.207 -11.748 27.179 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.203 -10.889 28.357 1.00 0.00 H new ATOM 1615 N HIS A 107 8.481 -5.012 22.707 1.00 0.00 N ATOM 1616 CA HIS A 107 9.378 -4.038 23.248 1.00 0.00 C ATOM 1617 C HIS A 107 8.722 -2.719 23.469 1.00 0.00 C ATOM 1618 O HIS A 107 8.804 -2.165 24.564 1.00 0.00 O ATOM 1619 CB HIS A 107 10.511 -3.824 22.230 1.00 0.00 C ATOM 1620 CG HIS A 107 11.567 -2.857 22.674 1.00 0.00 C ATOM 1621 ND1 HIS A 107 12.376 -3.067 23.773 1.00 0.00 N ATOM 1622 CD2 HIS A 107 11.855 -1.619 22.192 1.00 0.00 C ATOM 1623 CE1 HIS A 107 13.179 -1.973 23.869 1.00 0.00 C ATOM 1624 NE2 HIS A 107 12.911 -1.102 22.915 1.00 0.00 N ATOM 0 H HIS A 107 8.783 -5.370 21.801 1.00 0.00 H new ATOM 0 HA HIS A 107 9.735 -4.408 24.209 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.981 -4.785 22.020 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.080 -3.468 21.294 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.344 -1.123 21.380 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.936 -1.836 24.627 1.00 0.00 H new ATOM 0 HE2 HIS A 107 13.391 -0.218 22.745 1.00 0.00 H new ATOM 1632 N VAL A 108 7.849 -2.202 22.585 1.00 0.00 N ATOM 1633 CA VAL A 108 7.184 -0.951 22.779 1.00 0.00 C ATOM 1634 C VAL A 108 6.075 -1.040 23.770 1.00 0.00 C ATOM 1635 O VAL A 108 5.855 -0.132 24.570 1.00 0.00 O ATOM 1636 CB VAL A 108 6.772 -0.358 21.465 1.00 0.00 C ATOM 1637 CG1 VAL A 108 5.986 0.960 21.569 1.00 0.00 C ATOM 1638 CG2 VAL A 108 8.108 -0.102 20.748 1.00 0.00 C ATOM 0 H VAL A 108 7.599 -2.667 21.712 1.00 0.00 H new ATOM 0 HA VAL A 108 7.897 -0.258 23.225 1.00 0.00 H new ATOM 0 HB VAL A 108 6.090 -1.035 20.950 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.732 1.312 20.569 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.072 0.794 22.139 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.597 1.709 22.073 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.917 0.335 19.768 1.00 0.00 H new ATOM 0 HG22 VAL A 108 8.713 0.585 21.340 1.00 0.00 H new ATOM 0 HG23 VAL A 108 8.642 -1.044 20.627 1.00 0.00 H new ATOM 1648 N MET A 109 5.384 -2.186 23.909 1.00 0.00 N ATOM 1649 CA MET A 109 4.481 -2.431 24.992 1.00 0.00 C ATOM 1650 C MET A 109 5.232 -2.584 26.270 1.00 0.00 C ATOM 1651 O MET A 109 4.767 -2.065 27.284 1.00 0.00 O ATOM 1652 CB MET A 109 3.581 -3.662 24.791 1.00 0.00 C ATOM 1653 CG MET A 109 2.603 -3.437 23.636 1.00 0.00 C ATOM 1654 SD MET A 109 1.697 -1.875 23.851 1.00 0.00 S ATOM 1655 CE MET A 109 0.115 -2.437 23.160 1.00 0.00 C ATOM 0 H MET A 109 5.455 -2.963 23.252 1.00 0.00 H new ATOM 0 HA MET A 109 3.827 -1.560 25.027 1.00 0.00 H new ATOM 0 HB2 MET A 109 4.196 -4.538 24.587 1.00 0.00 H new ATOM 0 HB3 MET A 109 3.028 -3.867 25.707 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.147 -3.420 22.691 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.898 -4.267 23.583 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.596 -1.611 23.160 1.00 0.00 H new ATOM 0 HE2 MET A 109 0.267 -2.785 22.138 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.278 -3.253 23.767 1.00 0.00 H new ATOM 1665 N THR A 110 6.388 -3.264 26.366 1.00 0.00 N ATOM 1666 CA THR A 110 7.136 -3.269 27.585 1.00 0.00 C ATOM 1667 C THR A 110 7.799 -1.988 27.957 1.00 0.00 C ATOM 1668 O THR A 110 7.971 -1.706 29.142 1.00 0.00 O ATOM 1669 CB THR A 110 8.205 -4.310 27.740 1.00 0.00 C ATOM 1670 OG1 THR A 110 9.098 -4.417 26.641 1.00 0.00 O ATOM 1671 CG2 THR A 110 7.495 -5.668 27.873 1.00 0.00 C ATOM 0 H THR A 110 6.802 -3.806 25.608 1.00 0.00 H new ATOM 0 HA THR A 110 6.298 -3.493 28.245 1.00 0.00 H new ATOM 0 HB THR A 110 8.802 -4.021 28.605 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.003 -3.630 26.064 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.238 -6.457 27.988 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.843 -5.653 28.746 1.00 0.00 H new ATOM 0 HG23 THR A 110 6.901 -5.857 26.979 1.00 0.00 H new ATOM 1679 N ASN A 111 8.162 -1.086 27.027 1.00 0.00 N ATOM 1680 CA ASN A 111 8.509 0.262 27.351 1.00 0.00 C ATOM 1681 C ASN A 111 7.487 1.126 28.007 1.00 0.00 C ATOM 1682 O ASN A 111 7.741 1.933 28.900 1.00 0.00 O ATOM 1683 CB ASN A 111 8.957 0.983 26.068 1.00 0.00 C ATOM 1684 CG ASN A 111 10.179 0.282 25.493 1.00 0.00 C ATOM 1685 OD1 ASN A 111 10.883 -0.508 26.120 1.00 0.00 O ATOM 1686 ND2 ASN A 111 10.474 0.525 24.188 1.00 0.00 N ATOM 0 H ASN A 111 8.215 -1.298 26.031 1.00 0.00 H new ATOM 0 HA ASN A 111 9.285 0.134 28.106 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.148 0.985 25.338 1.00 0.00 H new ATOM 0 HB3 ASN A 111 9.191 2.025 26.286 1.00 0.00 H new ATOM 0 HD21 ASN A 111 11.266 0.056 23.748 1.00 0.00 H new ATOM 0 HD22 ASN A 111 9.904 1.176 23.649 1.00 0.00 H new ATOM 1693 N LEU A 112 6.224 0.933 27.585 1.00 0.00 N ATOM 1694 CA LEU A 112 5.096 1.510 28.246 1.00 0.00 C ATOM 1695 C LEU A 112 4.981 0.873 29.588 1.00 0.00 C ATOM 1696 O LEU A 112 4.901 1.540 30.619 1.00 0.00 O ATOM 1697 CB LEU A 112 3.815 1.523 27.395 1.00 0.00 C ATOM 1698 CG LEU A 112 3.944 2.318 26.085 1.00 0.00 C ATOM 1699 CD1 LEU A 112 2.667 1.970 25.301 1.00 0.00 C ATOM 1700 CD2 LEU A 112 4.201 3.831 26.178 1.00 0.00 C ATOM 0 H LEU A 112 5.983 0.367 26.771 1.00 0.00 H new ATOM 0 HA LEU A 112 5.253 2.578 28.396 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.537 0.496 27.159 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.002 1.945 27.986 1.00 0.00 H new ATOM 0 HG LEU A 112 4.867 2.020 25.587 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.672 2.495 24.346 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.630 0.895 25.124 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.793 2.273 25.877 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.268 4.251 25.174 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.382 4.307 26.717 1.00 0.00 H new ATOM 0 HD23 LEU A 112 5.136 4.009 26.709 1.00 0.00 H new ATOM 1712 N GLY A 113 4.910 -0.470 29.615 1.00 0.00 N ATOM 1713 CA GLY A 113 4.681 -1.172 30.840 1.00 0.00 C ATOM 1714 C GLY A 113 3.277 -1.658 30.728 1.00 0.00 C ATOM 1715 O GLY A 113 2.607 -1.692 31.758 1.00 0.00 O ATOM 0 H GLY A 113 5.010 -1.067 28.794 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.380 -2.000 30.961 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.808 -0.518 31.703 1.00 0.00 H new ATOM 1719 N GLU A 114 2.808 -2.079 29.539 1.00 0.00 N ATOM 1720 CA GLU A 114 1.435 -2.426 29.344 1.00 0.00 C ATOM 1721 C GLU A 114 1.291 -3.903 29.474 1.00 0.00 C ATOM 1722 O GLU A 114 2.225 -4.694 29.345 1.00 0.00 O ATOM 1723 CB GLU A 114 0.780 -1.802 28.100 1.00 0.00 C ATOM 1724 CG GLU A 114 -0.742 -1.876 27.959 1.00 0.00 C ATOM 1725 CD GLU A 114 -1.520 -1.486 29.207 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -1.632 -0.272 29.526 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -2.033 -2.394 29.915 1.00 0.00 O ATOM 0 H GLU A 114 3.387 -2.179 28.705 1.00 0.00 H new ATOM 0 HA GLU A 114 0.844 -1.963 30.134 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.065 -0.750 28.068 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.217 -2.277 27.222 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.049 -1.226 27.139 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.018 -2.893 27.680 1.00 0.00 H new ATOM 1734 N LYS A 115 0.045 -4.356 29.702 1.00 0.00 N ATOM 1735 CA LYS A 115 -0.138 -5.700 30.153 1.00 0.00 C ATOM 1736 C LYS A 115 -0.527 -6.586 29.019 1.00 0.00 C ATOM 1737 O LYS A 115 -1.635 -7.113 28.941 1.00 0.00 O ATOM 1738 CB LYS A 115 -1.025 -5.504 31.394 1.00 0.00 C ATOM 1739 CG LYS A 115 -1.083 -6.748 32.283 1.00 0.00 C ATOM 1740 CD LYS A 115 -2.291 -6.788 33.222 1.00 0.00 C ATOM 1741 CE LYS A 115 -2.748 -8.207 33.563 1.00 0.00 C ATOM 1742 NZ LYS A 115 -3.925 -7.957 34.424 1.00 0.00 N ATOM 0 H LYS A 115 -0.810 -3.813 29.579 1.00 0.00 H new ATOM 0 HA LYS A 115 0.727 -6.277 30.481 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.647 -4.664 31.976 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.034 -5.243 31.076 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.100 -7.634 31.649 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -0.171 -6.799 32.878 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.043 -6.263 34.144 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.118 -6.249 32.761 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -3.010 -8.776 32.671 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.974 -8.770 34.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.333 -8.865 34.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.634 -7.412 35.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -4.637 -7.418 33.891 1.00 0.00 H new ATOM 1756 N LEU A 116 0.434 -6.771 28.096 1.00 0.00 N ATOM 1757 CA LEU A 116 0.354 -7.662 26.981 1.00 0.00 C ATOM 1758 C LEU A 116 1.259 -8.823 27.212 1.00 0.00 C ATOM 1759 O LEU A 116 2.412 -8.669 27.613 1.00 0.00 O ATOM 1760 CB LEU A 116 0.643 -7.059 25.596 1.00 0.00 C ATOM 1761 CG LEU A 116 -0.633 -6.499 24.946 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -1.119 -5.286 25.758 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -0.468 -6.208 23.445 1.00 0.00 C ATOM 0 H LEU A 116 1.320 -6.267 28.131 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.696 -7.953 26.938 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.383 -6.264 25.692 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.077 -7.822 24.950 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.408 -7.265 24.978 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.024 -4.883 25.303 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.334 -5.595 26.781 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.344 -4.519 25.766 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.403 -5.815 23.046 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.325 -5.474 23.302 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.208 -7.129 22.922 1.00 0.00 H new ATOM 1775 N THR A 117 0.722 -10.046 27.053 1.00 0.00 N ATOM 1776 CA THR A 117 1.407 -11.292 26.903 1.00 0.00 C ATOM 1777 C THR A 117 1.726 -11.473 25.459 1.00 0.00 C ATOM 1778 O THR A 117 1.273 -10.777 24.552 1.00 0.00 O ATOM 1779 CB THR A 117 0.534 -12.474 27.205 1.00 0.00 C ATOM 1780 OG1 THR A 117 -0.665 -12.496 26.444 1.00 0.00 O ATOM 1781 CG2 THR A 117 0.174 -12.535 28.699 1.00 0.00 C ATOM 0 H THR A 117 -0.290 -10.172 27.027 1.00 0.00 H new ATOM 0 HA THR A 117 2.265 -11.254 27.574 1.00 0.00 H new ATOM 0 HB THR A 117 1.125 -13.346 26.926 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.272 -11.799 26.769 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.459 -13.402 28.886 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.086 -12.618 29.290 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.360 -11.628 28.982 1.00 0.00 H new ATOM 1789 N ASP A 118 2.614 -12.459 25.242 1.00 0.00 N ATOM 1790 CA ASP A 118 2.996 -12.886 23.932 1.00 0.00 C ATOM 1791 C ASP A 118 1.941 -13.402 23.014 1.00 0.00 C ATOM 1792 O ASP A 118 1.995 -13.283 21.791 1.00 0.00 O ATOM 1793 CB ASP A 118 4.094 -13.928 24.201 1.00 0.00 C ATOM 1794 CG ASP A 118 5.305 -13.202 24.769 1.00 0.00 C ATOM 1795 OD1 ASP A 118 6.027 -12.634 23.905 1.00 0.00 O ATOM 1796 OD2 ASP A 118 5.502 -13.147 26.012 1.00 0.00 O ATOM 0 H ASP A 118 3.077 -12.971 25.993 1.00 0.00 H new ATOM 0 HA ASP A 118 3.310 -12.013 23.360 1.00 0.00 H new ATOM 0 HB2 ASP A 118 3.739 -14.683 24.903 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.359 -14.448 23.280 1.00 0.00 H new ATOM 1801 N GLU A 119 0.807 -13.869 23.566 1.00 0.00 N ATOM 1802 CA GLU A 119 -0.364 -14.263 22.845 1.00 0.00 C ATOM 1803 C GLU A 119 -1.195 -13.159 22.289 1.00 0.00 C ATOM 1804 O GLU A 119 -1.665 -13.182 21.153 1.00 0.00 O ATOM 1805 CB GLU A 119 -1.201 -15.208 23.724 1.00 0.00 C ATOM 1806 CG GLU A 119 -0.636 -16.627 23.823 1.00 0.00 C ATOM 1807 CD GLU A 119 0.690 -16.773 24.555 1.00 0.00 C ATOM 1808 OE1 GLU A 119 1.148 -16.041 25.473 1.00 0.00 O ATOM 1809 OE2 GLU A 119 1.340 -17.729 24.054 1.00 0.00 O ATOM 0 H GLU A 119 0.702 -13.978 24.575 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.004 -14.774 21.952 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.274 -14.786 24.726 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.214 -15.258 23.324 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.374 -17.255 24.322 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.515 -17.019 22.813 1.00 0.00 H new ATOM 1816 N GLU A 120 -1.204 -12.084 23.098 1.00 0.00 N ATOM 1817 CA GLU A 120 -1.712 -10.770 22.850 1.00 0.00 C ATOM 1818 C GLU A 120 -0.876 -9.952 21.927 1.00 0.00 C ATOM 1819 O GLU A 120 -1.424 -9.264 21.067 1.00 0.00 O ATOM 1820 CB GLU A 120 -2.012 -10.006 24.151 1.00 0.00 C ATOM 1821 CG GLU A 120 -3.091 -10.708 24.978 1.00 0.00 C ATOM 1822 CD GLU A 120 -3.206 -10.122 26.378 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -2.337 -10.491 27.212 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -4.148 -9.330 26.649 1.00 0.00 O ATOM 0 H GLU A 120 -0.807 -12.148 24.036 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.654 -10.936 22.328 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.100 -9.918 24.741 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.336 -8.993 23.913 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.051 -10.623 24.469 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.861 -11.771 25.048 1.00 0.00 H new ATOM 1831 N VAL A 121 0.461 -10.072 22.001 1.00 0.00 N ATOM 1832 CA VAL A 121 1.269 -9.465 20.989 1.00 0.00 C ATOM 1833 C VAL A 121 1.106 -9.987 19.603 1.00 0.00 C ATOM 1834 O VAL A 121 0.849 -9.229 18.670 1.00 0.00 O ATOM 1835 CB VAL A 121 2.699 -9.634 21.409 1.00 0.00 C ATOM 1836 CG1 VAL A 121 3.688 -9.256 20.293 1.00 0.00 C ATOM 1837 CG2 VAL A 121 2.929 -8.696 22.605 1.00 0.00 C ATOM 0 H VAL A 121 0.969 -10.570 22.732 1.00 0.00 H new ATOM 0 HA VAL A 121 0.943 -8.427 20.922 1.00 0.00 H new ATOM 0 HB VAL A 121 2.873 -10.682 21.655 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.709 -9.396 20.649 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.516 -9.891 19.424 1.00 0.00 H new ATOM 0 HG13 VAL A 121 3.541 -8.212 20.015 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.961 -8.786 22.945 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.735 -7.667 22.303 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.254 -8.969 23.416 1.00 0.00 H new ATOM 1847 N ASP A 122 1.033 -11.326 19.491 1.00 0.00 N ATOM 1848 CA ASP A 122 0.677 -12.030 18.298 1.00 0.00 C ATOM 1849 C ASP A 122 -0.691 -11.721 17.796 1.00 0.00 C ATOM 1850 O ASP A 122 -0.863 -11.568 16.588 1.00 0.00 O ATOM 1851 CB ASP A 122 0.925 -13.512 18.626 1.00 0.00 C ATOM 1852 CG ASP A 122 1.193 -14.378 17.403 1.00 0.00 C ATOM 1853 OD1 ASP A 122 1.958 -14.065 16.452 1.00 0.00 O ATOM 1854 OD2 ASP A 122 0.640 -15.510 17.378 1.00 0.00 O ATOM 0 H ASP A 122 1.233 -11.949 20.273 1.00 0.00 H new ATOM 0 HA ASP A 122 1.284 -11.715 17.449 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.774 -13.586 19.305 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.058 -13.907 19.156 1.00 0.00 H new ATOM 1859 N GLU A 123 -1.672 -11.502 18.690 1.00 0.00 N ATOM 1860 CA GLU A 123 -2.981 -10.971 18.468 1.00 0.00 C ATOM 1861 C GLU A 123 -2.984 -9.623 17.833 1.00 0.00 C ATOM 1862 O GLU A 123 -3.650 -9.422 16.819 1.00 0.00 O ATOM 1863 CB GLU A 123 -3.921 -10.902 19.683 1.00 0.00 C ATOM 1864 CG GLU A 123 -5.420 -11.017 19.398 1.00 0.00 C ATOM 1865 CD GLU A 123 -6.164 -10.683 20.683 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -6.108 -9.575 21.280 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -6.907 -11.587 21.149 1.00 0.00 O ATOM 0 H GLU A 123 -1.529 -11.722 19.676 1.00 0.00 H new ATOM 0 HA GLU A 123 -3.376 -11.727 17.789 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.644 -11.698 20.374 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.744 -9.958 20.198 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.711 -10.334 18.600 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -5.669 -12.024 19.063 1.00 0.00 H new ATOM 1874 N MET A 124 -2.230 -8.618 18.313 1.00 0.00 N ATOM 1875 CA MET A 124 -1.949 -7.378 17.658 1.00 0.00 C ATOM 1876 C MET A 124 -1.314 -7.404 16.310 1.00 0.00 C ATOM 1877 O MET A 124 -1.645 -6.667 15.383 1.00 0.00 O ATOM 1878 CB MET A 124 -1.111 -6.496 18.600 1.00 0.00 C ATOM 1879 CG MET A 124 -1.826 -6.214 19.923 1.00 0.00 C ATOM 1880 SD MET A 124 -3.352 -5.229 19.836 1.00 0.00 S ATOM 1881 CE MET A 124 -2.598 -3.733 20.536 1.00 0.00 C ATOM 0 H MET A 124 -1.784 -8.678 19.228 1.00 0.00 H new ATOM 0 HA MET A 124 -2.941 -6.979 17.446 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.159 -6.987 18.802 1.00 0.00 H new ATOM 0 HB3 MET A 124 -0.884 -5.552 18.104 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.064 -7.169 20.391 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.128 -5.701 20.584 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.346 -2.942 20.595 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.219 -3.950 21.535 1.00 0.00 H new ATOM 0 HE3 MET A 124 -1.776 -3.408 19.899 1.00 0.00 H new ATOM 1891 N ILE A 125 -0.340 -8.307 16.098 1.00 0.00 N ATOM 1892 CA ILE A 125 0.267 -8.540 14.825 1.00 0.00 C ATOM 1893 C ILE A 125 -0.644 -9.196 13.845 1.00 0.00 C ATOM 1894 O ILE A 125 -0.886 -8.745 12.727 1.00 0.00 O ATOM 1895 CB ILE A 125 1.532 -9.345 14.861 1.00 0.00 C ATOM 1896 CG1 ILE A 125 2.614 -8.671 15.722 1.00 0.00 C ATOM 1897 CG2 ILE A 125 2.039 -9.663 13.444 1.00 0.00 C ATOM 1898 CD1 ILE A 125 3.350 -7.478 15.113 1.00 0.00 C ATOM 0 H ILE A 125 0.038 -8.896 16.840 1.00 0.00 H new ATOM 0 HA ILE A 125 0.507 -7.526 14.505 1.00 0.00 H new ATOM 0 HB ILE A 125 1.297 -10.296 15.338 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.149 -8.342 16.652 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.355 -9.426 15.985 1.00 0.00 H new ATOM 0 HG21 ILE A 125 2.957 -10.247 13.509 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.282 -10.234 12.906 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.238 -8.733 12.911 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.083 -7.101 15.826 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.858 -7.791 14.201 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.634 -6.690 14.878 1.00 0.00 H new ATOM 1910 N ARG A 126 -1.227 -10.353 14.209 1.00 0.00 N ATOM 1911 CA ARG A 126 -1.927 -11.240 13.333 1.00 0.00 C ATOM 1912 C ARG A 126 -3.118 -10.486 12.849 1.00 0.00 C ATOM 1913 O ARG A 126 -3.379 -10.415 11.649 1.00 0.00 O ATOM 1914 CB ARG A 126 -2.436 -12.533 13.992 1.00 0.00 C ATOM 1915 CG ARG A 126 -2.947 -13.589 13.010 1.00 0.00 C ATOM 1916 CD ARG A 126 -3.357 -14.875 13.731 1.00 0.00 C ATOM 1917 NE ARG A 126 -3.242 -15.926 12.682 1.00 0.00 N ATOM 1918 CZ ARG A 126 -2.875 -17.224 12.894 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -2.480 -17.732 14.098 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -2.716 -18.076 11.840 1.00 0.00 N ATOM 0 H ARG A 126 -1.208 -10.688 15.172 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.231 -11.550 12.554 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.629 -12.966 14.584 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.239 -12.281 14.684 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.800 -13.192 12.459 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.171 -13.813 12.278 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.704 -15.083 14.579 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.373 -14.808 14.120 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.456 -15.653 11.723 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.444 -17.128 14.919 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -2.220 -18.715 14.176 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.871 -17.744 10.888 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.442 -19.045 12.004 1.00 0.00 H new ATOM 1934 N GLU A 127 -3.905 -9.803 13.698 1.00 0.00 N ATOM 1935 CA GLU A 127 -5.044 -9.007 13.359 1.00 0.00 C ATOM 1936 C GLU A 127 -4.814 -7.854 12.443 1.00 0.00 C ATOM 1937 O GLU A 127 -5.621 -7.446 11.609 1.00 0.00 O ATOM 1938 CB GLU A 127 -5.977 -8.605 14.513 1.00 0.00 C ATOM 1939 CG GLU A 127 -6.352 -9.917 15.206 1.00 0.00 C ATOM 1940 CD GLU A 127 -7.566 -9.867 16.122 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -8.074 -8.757 16.433 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -7.908 -10.974 16.617 1.00 0.00 O ATOM 0 H GLU A 127 -3.730 -9.809 14.703 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.581 -9.755 12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.478 -7.924 15.203 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.863 -8.090 14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.531 -10.671 14.439 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.495 -10.254 15.790 1.00 0.00 H new ATOM 1949 N ALA A 128 -3.602 -7.278 12.531 1.00 0.00 N ATOM 1950 CA ALA A 128 -3.130 -6.237 11.671 1.00 0.00 C ATOM 1951 C ALA A 128 -2.601 -6.675 10.349 1.00 0.00 C ATOM 1952 O ALA A 128 -2.848 -5.995 9.354 1.00 0.00 O ATOM 1953 CB ALA A 128 -2.073 -5.529 12.535 1.00 0.00 C ATOM 0 H ALA A 128 -2.918 -7.552 13.236 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.949 -5.592 11.354 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.637 -4.703 11.973 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.542 -5.144 13.441 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.290 -6.237 12.805 1.00 0.00 H new ATOM 1959 N ASP A 129 -1.844 -7.785 10.294 1.00 0.00 N ATOM 1960 CA ASP A 129 -1.198 -8.285 9.120 1.00 0.00 C ATOM 1961 C ASP A 129 -2.187 -8.802 8.133 1.00 0.00 C ATOM 1962 O ASP A 129 -2.948 -9.713 8.457 1.00 0.00 O ATOM 1963 CB ASP A 129 -0.142 -9.373 9.380 1.00 0.00 C ATOM 1964 CG ASP A 129 0.552 -9.909 8.136 1.00 0.00 C ATOM 1965 OD1 ASP A 129 0.933 -9.119 7.231 1.00 0.00 O ATOM 1966 OD2 ASP A 129 0.768 -11.150 8.105 1.00 0.00 O ATOM 0 H ASP A 129 -1.673 -8.366 11.115 1.00 0.00 H new ATOM 0 HA ASP A 129 -0.671 -7.420 8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 129 0.614 -8.970 10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.620 -10.205 9.898 1.00 0.00 H new ATOM 1971 N ILE A 130 -2.169 -8.262 6.901 1.00 0.00 N ATOM 1972 CA ILE A 130 -3.049 -8.724 5.873 1.00 0.00 C ATOM 1973 C ILE A 130 -2.378 -9.772 5.053 1.00 0.00 C ATOM 1974 O ILE A 130 -2.831 -10.907 4.917 1.00 0.00 O ATOM 1975 CB ILE A 130 -3.765 -7.649 5.110 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -4.466 -6.607 5.997 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -4.771 -8.292 4.140 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -4.946 -5.325 5.318 1.00 0.00 C ATOM 0 H ILE A 130 -1.546 -7.506 6.617 1.00 0.00 H new ATOM 0 HA ILE A 130 -3.895 -9.208 6.362 1.00 0.00 H new ATOM 0 HB ILE A 130 -3.002 -7.098 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -5.327 -7.085 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -3.781 -6.329 6.798 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -5.292 -7.511 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -4.241 -8.940 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -5.495 -8.881 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -5.421 -4.679 6.056 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -4.095 -4.807 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -5.665 -5.574 4.537 1.00 0.00 H new ATOM 1990 N ASP A 131 -1.198 -9.444 4.496 1.00 0.00 N ATOM 1991 CA ASP A 131 -0.579 -10.265 3.503 1.00 0.00 C ATOM 1992 C ASP A 131 0.078 -11.556 3.850 1.00 0.00 C ATOM 1993 O ASP A 131 0.423 -12.322 2.951 1.00 0.00 O ATOM 1994 CB ASP A 131 0.156 -9.341 2.516 1.00 0.00 C ATOM 1995 CG ASP A 131 0.963 -8.376 3.372 1.00 0.00 C ATOM 1996 OD1 ASP A 131 1.822 -8.771 4.205 1.00 0.00 O ATOM 1997 OD2 ASP A 131 0.730 -7.141 3.286 1.00 0.00 O ATOM 0 H ASP A 131 -0.670 -8.605 4.736 1.00 0.00 H new ATOM 0 HA ASP A 131 -1.403 -10.788 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.806 -9.914 1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -0.551 -8.805 1.883 1.00 0.00 H new ATOM 2002 N GLY A 132 0.234 -11.881 5.146 1.00 0.00 N ATOM 2003 CA GLY A 132 0.804 -13.098 5.636 1.00 0.00 C ATOM 2004 C GLY A 132 2.253 -13.055 5.980 1.00 0.00 C ATOM 2005 O GLY A 132 2.709 -14.125 6.382 1.00 0.00 O ATOM 0 H GLY A 132 -0.056 -11.255 5.897 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.250 -13.402 6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.653 -13.873 4.885 1.00 0.00 H new ATOM 2009 N ASP A 133 2.889 -11.871 5.926 1.00 0.00 N ATOM 2010 CA ASP A 133 4.300 -11.870 6.160 1.00 0.00 C ATOM 2011 C ASP A 133 4.726 -11.919 7.587 1.00 0.00 C ATOM 2012 O ASP A 133 5.833 -12.312 7.954 1.00 0.00 O ATOM 2013 CB ASP A 133 4.998 -10.741 5.383 1.00 0.00 C ATOM 2014 CG ASP A 133 4.681 -9.311 5.797 1.00 0.00 C ATOM 2015 OD1 ASP A 133 3.824 -9.108 6.698 1.00 0.00 O ATOM 2016 OD2 ASP A 133 5.336 -8.377 5.262 1.00 0.00 O ATOM 0 H ASP A 133 2.460 -10.966 5.733 1.00 0.00 H new ATOM 0 HA ASP A 133 4.638 -12.828 5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.075 -10.887 5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.746 -10.851 4.328 1.00 0.00 H new ATOM 2021 N GLY A 134 3.785 -11.484 8.444 1.00 0.00 N ATOM 2022 CA GLY A 134 4.043 -11.490 9.850 1.00 0.00 C ATOM 2023 C GLY A 134 4.586 -10.230 10.431 1.00 0.00 C ATOM 2024 O GLY A 134 4.943 -10.170 11.606 1.00 0.00 O ATOM 0 H GLY A 134 2.866 -11.136 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.114 -11.731 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 134 4.745 -12.295 10.065 1.00 0.00 H new ATOM 2028 N GLN A 135 4.599 -9.193 9.574 1.00 0.00 N ATOM 2029 CA GLN A 135 4.987 -7.824 9.723 1.00 0.00 C ATOM 2030 C GLN A 135 4.005 -6.759 9.379 1.00 0.00 C ATOM 2031 O GLN A 135 3.231 -6.900 8.433 1.00 0.00 O ATOM 2032 CB GLN A 135 6.262 -7.470 8.939 1.00 0.00 C ATOM 2033 CG GLN A 135 7.492 -8.304 9.305 1.00 0.00 C ATOM 2034 CD GLN A 135 8.771 -7.698 8.746 1.00 0.00 C ATOM 2035 OE1 GLN A 135 9.564 -6.907 9.254 1.00 0.00 O ATOM 2036 NE2 GLN A 135 8.946 -8.056 7.446 1.00 0.00 N ATOM 0 H GLN A 135 4.282 -9.351 8.617 1.00 0.00 H new ATOM 0 HA GLN A 135 5.117 -7.809 10.805 1.00 0.00 H new ATOM 0 HB2 GLN A 135 6.062 -7.591 7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 135 6.492 -6.417 9.103 1.00 0.00 H new ATOM 0 HG2 GLN A 135 7.570 -8.381 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 135 7.372 -9.317 8.921 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.299 -8.711 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.724 -7.670 6.911 1.00 0.00 H new ATOM 2045 N VAL A 136 3.886 -5.673 10.163 1.00 0.00 N ATOM 2046 CA VAL A 136 2.820 -4.732 10.006 1.00 0.00 C ATOM 2047 C VAL A 136 3.398 -3.566 9.281 1.00 0.00 C ATOM 2048 O VAL A 136 4.336 -2.919 9.744 1.00 0.00 O ATOM 2049 CB VAL A 136 2.261 -4.360 11.347 1.00 0.00 C ATOM 2050 CG1 VAL A 136 1.237 -3.224 11.186 1.00 0.00 C ATOM 2051 CG2 VAL A 136 1.508 -5.522 12.016 1.00 0.00 C ATOM 0 H VAL A 136 4.537 -5.445 10.915 1.00 0.00 H new ATOM 0 HA VAL A 136 1.985 -5.142 9.438 1.00 0.00 H new ATOM 0 HB VAL A 136 3.114 -4.071 11.961 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.833 -2.957 12.163 1.00 0.00 H new ATOM 0 HG12 VAL A 136 1.724 -2.355 10.745 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.426 -3.554 10.536 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.124 -5.198 12.983 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.677 -5.831 11.381 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.188 -6.362 12.158 1.00 0.00 H new ATOM 2061 N ASN A 137 2.992 -3.289 8.029 1.00 0.00 N ATOM 2062 CA ASN A 137 3.362 -2.199 7.180 1.00 0.00 C ATOM 2063 C ASN A 137 2.618 -0.951 7.510 1.00 0.00 C ATOM 2064 O ASN A 137 1.730 -1.071 8.353 1.00 0.00 O ATOM 2065 CB ASN A 137 3.408 -2.609 5.698 1.00 0.00 C ATOM 2066 CG ASN A 137 2.111 -2.648 4.903 1.00 0.00 C ATOM 2067 OD1 ASN A 137 1.155 -1.930 5.191 1.00 0.00 O ATOM 2068 ND2 ASN A 137 2.094 -3.407 3.775 1.00 0.00 N ATOM 0 H ASN A 137 2.326 -3.903 7.560 1.00 0.00 H new ATOM 0 HA ASN A 137 4.396 -1.928 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 137 4.086 -1.925 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 137 3.857 -3.601 5.645 1.00 0.00 H new ATOM 0 HD21 ASN A 137 1.283 -3.385 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 137 2.893 -3.999 3.546 1.00 0.00 H new ATOM 2075 N TYR A 138 2.985 0.232 6.985 1.00 0.00 N ATOM 2076 CA TYR A 138 2.286 1.469 7.145 1.00 0.00 C ATOM 2077 C TYR A 138 0.817 1.408 6.901 1.00 0.00 C ATOM 2078 O TYR A 138 -0.006 1.845 7.704 1.00 0.00 O ATOM 2079 CB TYR A 138 3.024 2.569 6.364 1.00 0.00 C ATOM 2080 CG TYR A 138 2.431 3.931 6.484 1.00 0.00 C ATOM 2081 CD1 TYR A 138 1.418 4.346 5.652 1.00 0.00 C ATOM 2082 CD2 TYR A 138 2.607 4.628 7.657 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.735 5.527 5.818 1.00 0.00 C ATOM 2084 CE2 TYR A 138 1.960 5.829 7.830 1.00 0.00 C ATOM 2085 CZ TYR A 138 1.065 6.306 6.902 1.00 0.00 C ATOM 2086 OH TYR A 138 0.382 7.525 7.098 1.00 0.00 O ATOM 0 H TYR A 138 3.824 0.330 6.412 1.00 0.00 H new ATOM 0 HA TYR A 138 2.309 1.727 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.058 2.607 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.049 2.291 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 138 1.144 3.710 4.823 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.247 4.236 8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -0.033 5.832 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 138 2.160 6.412 8.717 1.00 0.00 H new ATOM 0 HH TYR A 138 0.723 7.965 7.905 1.00 0.00 H new ATOM 2096 N GLU A 139 0.403 0.804 5.773 1.00 0.00 N ATOM 2097 CA GLU A 139 -0.953 0.654 5.345 1.00 0.00 C ATOM 2098 C GLU A 139 -1.683 -0.222 6.304 1.00 0.00 C ATOM 2099 O GLU A 139 -2.855 0.008 6.598 1.00 0.00 O ATOM 2100 CB GLU A 139 -1.147 0.160 3.901 1.00 0.00 C ATOM 2101 CG GLU A 139 -1.072 1.312 2.897 1.00 0.00 C ATOM 2102 CD GLU A 139 -1.428 0.922 1.470 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -2.392 0.145 1.235 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -0.739 1.385 0.521 1.00 0.00 O ATOM 0 H GLU A 139 1.064 0.392 5.114 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.369 1.661 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -0.383 -0.581 3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.113 -0.338 3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.743 2.107 3.222 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -0.063 1.723 2.908 1.00 0.00 H new ATOM 2111 N GLU A 140 -1.053 -1.277 6.849 1.00 0.00 N ATOM 2112 CA GLU A 140 -1.563 -2.244 7.771 1.00 0.00 C ATOM 2113 C GLU A 140 -1.673 -1.677 9.145 1.00 0.00 C ATOM 2114 O GLU A 140 -2.672 -1.974 9.798 1.00 0.00 O ATOM 2115 CB GLU A 140 -0.638 -3.471 7.809 1.00 0.00 C ATOM 2116 CG GLU A 140 -0.637 -4.171 6.449 1.00 0.00 C ATOM 2117 CD GLU A 140 0.224 -5.419 6.326 1.00 0.00 C ATOM 2118 OE1 GLU A 140 1.452 -5.267 6.563 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -0.341 -6.508 6.039 1.00 0.00 O ATOM 0 H GLU A 140 -0.079 -1.471 6.616 1.00 0.00 H new ATOM 0 HA GLU A 140 -2.557 -2.534 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.375 -3.164 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -0.971 -4.163 8.583 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.664 -4.440 6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -0.307 -3.454 5.697 1.00 0.00 H new ATOM 2126 N PHE A 141 -0.752 -0.800 9.582 1.00 0.00 N ATOM 2127 CA PHE A 141 -0.773 -0.125 10.842 1.00 0.00 C ATOM 2128 C PHE A 141 -1.862 0.892 10.854 1.00 0.00 C ATOM 2129 O PHE A 141 -2.594 1.061 11.828 1.00 0.00 O ATOM 2130 CB PHE A 141 0.552 0.656 10.845 1.00 0.00 C ATOM 2131 CG PHE A 141 0.838 1.286 12.165 1.00 0.00 C ATOM 2132 CD1 PHE A 141 1.171 0.605 13.313 1.00 0.00 C ATOM 2133 CD2 PHE A 141 0.879 2.660 12.184 1.00 0.00 C ATOM 2134 CE1 PHE A 141 1.584 1.259 14.450 1.00 0.00 C ATOM 2135 CE2 PHE A 141 1.256 3.323 13.328 1.00 0.00 C ATOM 2136 CZ PHE A 141 1.433 2.625 14.500 1.00 0.00 C ATOM 0 H PHE A 141 0.059 -0.547 9.018 1.00 0.00 H new ATOM 0 HA PHE A 141 -0.912 -0.813 11.676 1.00 0.00 H new ATOM 0 HB2 PHE A 141 1.368 -0.017 10.583 1.00 0.00 H new ATOM 0 HB3 PHE A 141 0.517 1.429 10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.106 -0.473 13.322 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.615 3.220 11.299 1.00 0.00 H new ATOM 0 HE1 PHE A 141 2.014 0.716 15.279 1.00 0.00 H new ATOM 0 HE2 PHE A 141 1.413 4.391 13.306 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.453 3.143 15.447 1.00 0.00 H new ATOM 2146 N VAL A 142 -2.114 1.655 9.776 1.00 0.00 N ATOM 2147 CA VAL A 142 -3.113 2.667 9.622 1.00 0.00 C ATOM 2148 C VAL A 142 -4.525 2.190 9.631 1.00 0.00 C ATOM 2149 O VAL A 142 -5.349 2.739 10.360 1.00 0.00 O ATOM 2150 CB VAL A 142 -2.776 3.692 8.580 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -4.044 4.520 8.310 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -1.602 4.520 9.130 1.00 0.00 C ATOM 0 H VAL A 142 -1.560 1.550 8.926 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.074 3.222 10.559 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.465 3.264 7.627 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.831 5.276 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -4.838 3.864 7.953 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.363 5.007 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.321 5.282 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.901 5.001 10.062 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -0.751 3.865 9.316 1.00 0.00 H new ATOM 2162 N GLN A 143 -4.766 0.999 9.056 1.00 0.00 N ATOM 2163 CA GLN A 143 -6.024 0.320 9.097 1.00 0.00 C ATOM 2164 C GLN A 143 -6.489 -0.029 10.469 1.00 0.00 C ATOM 2165 O GLN A 143 -7.637 0.223 10.833 1.00 0.00 O ATOM 2166 CB GLN A 143 -5.933 -0.861 8.117 1.00 0.00 C ATOM 2167 CG GLN A 143 -7.184 -1.741 8.080 1.00 0.00 C ATOM 2168 CD GLN A 143 -7.113 -2.662 6.871 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -6.540 -2.327 5.835 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -7.638 -3.910 6.999 1.00 0.00 N ATOM 0 H GLN A 143 -4.052 0.486 8.539 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.820 0.990 8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.744 -0.474 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.076 -1.478 8.387 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -7.257 -2.328 8.995 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -8.078 -1.120 8.027 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -8.111 -4.178 7.862 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -7.559 -4.578 6.232 1.00 0.00 H new ATOM 2179 N MET A 144 -5.557 -0.503 11.315 1.00 0.00 N ATOM 2180 CA MET A 144 -5.859 -0.750 12.691 1.00 0.00 C ATOM 2181 C MET A 144 -6.137 0.496 13.458 1.00 0.00 C ATOM 2182 O MET A 144 -7.016 0.483 14.318 1.00 0.00 O ATOM 2183 CB MET A 144 -4.858 -1.603 13.489 1.00 0.00 C ATOM 2184 CG MET A 144 -4.737 -3.022 12.932 1.00 0.00 C ATOM 2185 SD MET A 144 -6.088 -4.162 13.358 1.00 0.00 S ATOM 2186 CE MET A 144 -5.628 -4.536 15.074 1.00 0.00 C ATOM 0 H MET A 144 -4.596 -0.715 11.047 1.00 0.00 H new ATOM 0 HA MET A 144 -6.760 -1.357 12.595 1.00 0.00 H new ATOM 0 HB2 MET A 144 -3.880 -1.123 13.472 1.00 0.00 H new ATOM 0 HB3 MET A 144 -5.172 -1.649 14.532 1.00 0.00 H new ATOM 0 HG2 MET A 144 -4.669 -2.960 11.846 1.00 0.00 H new ATOM 0 HG3 MET A 144 -3.800 -3.452 13.286 1.00 0.00 H new ATOM 0 HE1 MET A 144 -5.401 -5.598 15.167 1.00 0.00 H new ATOM 0 HE2 MET A 144 -4.750 -3.952 15.351 1.00 0.00 H new ATOM 0 HE3 MET A 144 -6.456 -4.283 15.736 1.00 0.00 H new ATOM 2196 N MET A 145 -5.395 1.585 13.188 1.00 0.00 N ATOM 2197 CA MET A 145 -5.681 2.877 13.729 1.00 0.00 C ATOM 2198 C MET A 145 -7.040 3.432 13.474 1.00 0.00 C ATOM 2199 O MET A 145 -7.578 4.145 14.321 1.00 0.00 O ATOM 2200 CB MET A 145 -4.514 3.839 13.453 1.00 0.00 C ATOM 2201 CG MET A 145 -3.303 3.605 14.358 1.00 0.00 C ATOM 2202 SD MET A 145 -1.862 4.624 13.919 1.00 0.00 S ATOM 2203 CE MET A 145 -1.869 5.923 15.188 1.00 0.00 C ATOM 0 H MET A 145 -4.577 1.567 12.579 1.00 0.00 H new ATOM 0 HA MET A 145 -5.751 2.737 14.808 1.00 0.00 H new ATOM 0 HB2 MET A 145 -4.206 3.735 12.413 1.00 0.00 H new ATOM 0 HB3 MET A 145 -4.861 4.864 13.581 1.00 0.00 H new ATOM 0 HG2 MET A 145 -3.585 3.814 15.390 1.00 0.00 H new ATOM 0 HG3 MET A 145 -3.022 2.553 14.311 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.033 6.602 15.019 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.805 6.479 15.134 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.773 5.469 16.174 1.00 0.00 H new